NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424599 |
2g0k   |
6888 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g0k
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 1351
_Distance_constraint_stats_list.Viol_count 7251
_Distance_constraint_stats_list.Viol_total 122369.227
_Distance_constraint_stats_list.Viol_max 3.340
_Distance_constraint_stats_list.Viol_rms 0.1882
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0410
_Distance_constraint_stats_list.Viol_average_violations_only 0.3591
_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 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 PRO 57.632 0.665 43 16 "[ *. * 1- **. 2 * . ** * . **4**+*. *]"
1 13 THR 20.786 0.289 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 ALA 49.187 1.075 40 40 "[***** *-******** *******.***** *** **+*******]"
1 15 THR 0.069 0.038 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 VAL 35.545 1.200 41 38 "[*********-*** .****2 **. ** ** ********+******]"
1 17 THR 12.334 0.318 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 PRO 18.307 0.318 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 SER 46.505 0.908 41 28 "[* -*.** ***** ** *** .** 3 *** ***+**** ]"
1 20 SER 38.941 1.633 11 28 "[ * ** * 1+ ** * *****.***** -**. *** **** ]"
1 21 GLY 60.411 1.592 11 31 "[ *-** * 1+ ** * ******.*********. *** **** ]"
1 22 LEU 330.344 2.375 10 47 [*********+************************************-]
1 23 SER 452.521 3.340 11 47 [**********+*********-**************************]
1 24 ASP 57.894 1.640 22 41 "[***** ******** *****+**.*********** *-******* ]"
1 25 GLY 93.604 2.074 34 46 [***********-************.********+*************]
1 26 THR 40.695 1.416 34 37 "[ * *** * *** ****-******.*** ****+** * ** *****]"
1 27 VAL 0.413 0.104 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 VAL 1.128 0.353 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 LYS 22.510 0.504 20 1 "[ . 1 . + . 3 . 4 . ]"
1 30 VAL 66.343 1.511 11 46 [*****-****+*************.**********************]
1 31 ALA 25.974 0.674 27 6 "[ .* 1* . * . +* 3 . -4 . ]"
1 32 GLY 18.207 0.511 41 1 "[ . 1 . 2 . 3 . 4+ . ]"
1 33 ALA 35.295 0.850 28 31 "[* .** *1** -** **** * .**+ ** *** * ******.**]"
1 34 GLY 9.492 0.645 20 1 "[ . 1 . + . 3 . 4 . ]"
1 35 LEU 191.205 1.293 6 47 [*****+**************************************-**]
1 36 GLN 68.883 1.712 47 47 [*************************************-********+]
1 37 ALA 15.223 0.274 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 GLY 31.192 0.718 6 7 "[ .+ 1 . * * * 3 . - 4 * .* ]"
1 39 THR 77.586 1.826 47 44 "[** *-*** ************************** **********+]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 TYR 178.329 1.162 10 47 [-********+*************************************]
1 42 ASP 17.212 0.924 19 13 "[* * 1 - *** +2 * * **3 . * 4 * . ]"
1 43 VAL 9.212 0.511 18 1 "[ . 1 . + 2 . 3 . 4 . ]"
1 44 GLY 13.527 0.496 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 GLN 49.233 0.661 11 8 "[ .** 1+ . * 2 * * 3 . * .- ]"
1 46 CYS 18.350 0.553 20 3 "[ . 1 . + * 3 . 4 - . ]"
1 47 ALA 13.084 0.433 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 TRP 36.460 0.863 28 24 "[ * .** 1 *.* *** ** *+**** *. - *4 ** ***]"
1 49 VAL 9.500 0.231 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 ASP 1.223 0.234 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 THR 0.015 0.009 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 VAL 8.025 0.809 6 6 "[ .+ 1 . * * 3 . 4 -* .* ]"
1 54 LEU 39.293 0.809 6 6 "[ .+ 1 . * * 3 . 4 *- .* ]"
1 55 ALA 8.844 0.231 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 CYS 11.322 0.302 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 ASN 17.555 0.587 40 4 "[ .* 1 . * 2 . 3 . + .- ]"
1 58 PRO 40.914 0.697 39 8 "[ .* * 1 . * 2 *. - 3 . +* * . ]"
1 59 ALA 10.170 0.521 25 1 "[ . 1 . 2 + 3 . 4 . ]"
1 60 ASP 12.547 0.270 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 PHE 45.405 0.697 39 5 "[ . * 1 . - 2 *. 3 . +4 * . ]"
1 62 SER 44.269 0.691 25 13 "[* *. 1 . * 2* + 3 * ****- 4 *. *]"
1 63 SER 21.432 0.691 18 5 "[ . 1 .* + 2 -. 3* . * 4 . ]"
1 64 VAL 92.418 0.981 43 42 "[-********* ***** *********** ****** * ****+****]"
1 65 THR 26.521 0.718 6 7 "[ .+ 1 . * * * 3 . - 4 * .* ]"
1 66 ALA 24.565 0.395 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 ASP 28.258 0.933 6 38 "[** **+** * * *** *****-************ * ***** .**]"
1 68 ALA 18.517 0.290 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 ASN 11.882 0.290 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 GLY 84.760 1.293 6 47 [*****+*******-*********************************]
1 71 SER 88.029 1.067 20 43 "[************ *** **+*************** * ******-**]"
1 72 ALA 55.937 0.867 6 15 "[* .+ 1 *. * *** ** -3** *. * 4 * . ]"
1 73 SER 17.670 0.674 27 5 "[ .* 1 . * . +* 3 . -4 . ]"
1 74 THR 26.291 0.691 18 5 "[ . 1 .* + 2 -. 3* . * 4 . ]"
1 75 SER 22.651 0.504 20 1 "[ . 1 . + . 3 . 4 . ]"
1 76 LEU 62.728 0.691 25 14 "[* *. 1 . * 2* + *3 * ****- 4 *. *]"
1 77 THR 31.196 0.496 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 VAL 4.285 0.306 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 79 ARG 19.258 0.633 40 2 "[ . 1 - . 2 . 3 . + . ]"
1 80 ARG 4.756 0.724 40 1 "[ . 1 . 2 . 3 . + . ]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 82 PHE 7.995 0.521 25 1 "[ . 1 . 2 + 3 . 4 . ]"
1 83 GLU 50.840 0.588 45 1 "[ . 1 . 2 . 3 . 4 + ]"
1 84 GLY 10.216 0.228 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 85 PHE 14.198 0.615 40 3 "[ .* 1 . 2 . - 3 . + . ]"
1 86 LEU 19.751 0.260 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 87 PHE 9.140 0.913 19 4 "[ . 1* .- +2 . 3 . 4 *. ]"
1 88 ASP 8.157 0.913 19 4 "[ . 1* .- +2 . 3 . 4 *. ]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 90 THR 0.822 0.081 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 91 ARG 0.655 0.112 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 92 TRP 9.150 0.260 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 93 GLY 7.822 0.285 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 94 THR 41.634 0.483 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 95 VAL 5.527 0.205 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 96 ASP 9.251 0.214 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 97 CYS 9.936 0.273 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 98 THR 18.494 0.626 29 4 "[ * - 1 . 2 . +3 . * . ]"
1 99 THR 7.382 0.231 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 100 ALA 6.165 0.316 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 101 ALA 12.655 0.528 16 2 "[ . 1 .+ 2 . 3 . - 4 . ]"
1 102 CYS 43.932 0.901 12 23 "[ * .** 1 + *. *** ** ****** *. *4 -* ***]"
1 103 GLN 17.716 0.901 12 1 "[ . 1 + . 2 . 3 . 4 . ]"
1 104 VAL 70.649 0.988 40 33 "[ * ******** ** - *****.** ** ***. * *+***** *]"
1 105 GLY 14.777 0.661 11 2 "[ . - 1+ . 2 . 3 . 4 . ]"
1 106 LEU 171.893 1.511 11 47 [**********+*****************************-******]
1 107 SER 27.606 0.732 38 21 "[*** **-* * * .* **** *. 3** ** + 4 * ]"
1 108 ASP 59.426 1.712 47 47 [********-*************************************+]
1 109 ALA 90.363 1.826 47 44 "[****- ** ** **********************************+]"
1 110 ALA 0.479 0.051 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 111 GLY 6.730 0.310 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 112 ASN 15.335 0.310 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 113 GLY 15.118 0.633 41 7 "[ . 1- *. 2 . * 3 . 4+***. ]"
1 115 GLU 4.547 0.191 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 116 GLY 4.095 0.334 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 117 VAL 113.212 1.200 41 46 [****************-*******.***************+******]
1 118 ALA 1.800 0.441 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 119 ILE 292.564 2.375 10 47 [**-******+*************************************]
1 120 SER 163.127 1.843 19 47 [**-***************+****************************]
1 121 PHE 453.634 3.340 11 47 [**********+*********-**************************]
1 122 ASN 219.119 2.817 46 47 [*********************************************+-]
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 ALA HA 1 11 ALA H . . 3.210 2.267 2.162 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 10 ALA H 1 11 ALA HA . . 6.000 5.112 4.201 5.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 10 ALA H 1 11 ALA H . . 5.500 4.324 3.501 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 10 ALA H 1 11 ALA MB . . 6.000 5.047 4.025 5.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 10 ALA MB 1 11 ALA H . . 3.630 2.980 2.186 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 10 ALA MB 1 12 PRO QD . . 6.000 4.230 3.559 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 11 ALA H 1 11 ALA MB . . 3.460 2.353 1.994 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 12 PRO HA 1 115 GLU H . . 6.000 4.046 3.474 5.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 12 PRO HB3 1 35 LEU HA . . 5.000 2.421 1.698 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 12 PRO HB3 1 13 THR HA . . 5.500 5.768 5.756 5.779 0.279 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 12 PRO HB3 1 13 THR H . . 4.680 3.432 3.405 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 12 PRO HB3 1 14 ALA MB . . 6.000 5.606 5.519 5.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 12 PRO HB2 1 115 GLU H . . 6.000 4.136 3.401 5.235 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 12 PRO HB2 1 13 THR HA . . 5.500 4.504 4.481 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 12 PRO HB2 1 13 THR H . . 3.940 2.232 2.168 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 12 PRO HB2 1 14 ALA H . . 6.000 5.131 5.041 5.294 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 12 PRO HB2 1 14 ALA MB . . 4.050 4.297 4.218 4.415 0.365 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 12 PRO QD 1 113 GLY QA . . 3.900 4.196 3.741 4.533 0.633 41 7 "[ . 1- *. 2 . * 3 . 4+***. ]" 1
19 1 12 PRO QD 1 35 LEU QD . . 3.900 3.377 2.774 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 12 PRO QD 1 13 THR H . . 6.000 4.823 4.800 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 12 PRO HG2 1 35 LEU HB3 . . 3.870 4.015 3.204 4.535 0.665 43 8 "[ . 1- . 2 * . * * . *4* +*. ]" 1
22 1 12 PRO HG2 1 35 LEU QD . . 4.650 2.185 1.718 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 12 PRO HG2 1 13 THR HA . . 5.500 4.842 4.805 4.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 12 PRO HG2 1 13 THR H . . 5.300 3.966 3.906 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 12 PRO HG3 1 113 GLY QA . . 6.000 4.324 3.881 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 12 PRO HG3 1 35 LEU HB3 . . 4.010 2.543 1.627 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 12 PRO HG3 1 35 LEU QD . . 4.460 1.931 1.457 2.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 12 PRO HG3 1 36 GLN QG . . 6.000 6.067 5.554 6.659 0.659 4 10 "[ +. * 1* * . 2 . * * . -*4 *. *]" 1
29 1 12 PRO HG3 1 13 THR H . . 5.000 4.802 4.744 4.852 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 13 THR HA 1 13 THR MG . . 3.040 2.819 2.586 3.202 0.162 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 13 THR HA 1 14 ALA H . . 3.170 2.171 2.160 2.181 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 13 THR HB 1 14 ALA H . . 4.500 4.542 4.363 4.633 0.133 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 13 THR H 1 33 ALA HA . . 5.500 5.046 4.612 5.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 13 THR H 1 33 ALA MB . . 5.880 3.907 3.488 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 13 THR H 1 34 GLY HA2 . . 5.500 5.048 4.571 5.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 13 THR H 1 34 GLY HA3 . . 6.000 3.441 3.012 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 13 THR H 1 35 LEU HG . . 6.000 4.311 3.315 5.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 13 THR H 1 13 THR HB . . 3.650 2.413 2.228 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 13 THR H 1 13 THR MG . . 3.560 3.030 1.763 3.600 0.040 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 13 THR H 1 14 ALA H . . 5.150 4.329 4.285 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 13 THR MG 1 14 ALA HA . . 4.310 3.498 3.322 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 13 THR MG 1 14 ALA H . . 3.900 3.464 3.139 4.189 0.289 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 14 ALA HA 1 31 ALA H . . 5.500 4.261 4.068 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 14 ALA HA 1 32 GLY HA2 . . 3.630 2.110 1.639 2.320 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 14 ALA HA 1 32 GLY HA3 . . 5.000 3.829 3.403 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 14 ALA HA 1 33 ALA H . . 4.800 2.807 2.540 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 14 ALA HA 1 15 THR H . . 3.070 2.276 2.189 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 14 ALA HA 1 15 THR MG . . 4.460 3.993 3.732 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 14 ALA H 1 117 VAL MG2 . . 7.030 5.095 4.554 5.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 14 ALA H 1 14 ALA MB . . 3.460 2.506 2.454 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 14 ALA H 1 15 THR MG . . 5.000 4.725 4.478 5.022 0.022 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 14 ALA MB 1 31 ALA HA . . 4.380 3.984 3.751 4.201 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 14 ALA MB 1 31 ALA H . . 5.320 3.089 2.915 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 14 ALA MB 1 33 ALA H . . 4.660 3.174 2.847 3.489 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 14 ALA MB 1 15 THR HA . . 5.000 4.188 4.022 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 14 ALA MB 1 15 THR H . . 3.420 2.820 2.448 3.087 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 14 ALA MB 1 16 VAL H . . 6.000 4.618 4.447 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 14 ALA MB 1 106 LEU QD . . 3.370 4.053 3.735 4.445 1.075 40 40 "[***** *-******** *******.***** *** **+*******]" 1
59 1 15 THR HA 1 31 ALA H . . 5.000 4.349 4.221 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 15 THR HA 1 15 THR MG . . 3.420 2.138 2.027 2.230 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 15 THR HA 1 16 VAL H . . 4.380 2.164 2.159 2.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 15 THR HA 1 16 VAL QG . . 5.500 3.553 3.186 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 15 THR HB 1 31 ALA H . . 5.500 4.497 4.248 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 15 THR HB 1 31 ALA MB . . 4.010 3.528 3.269 3.813 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 15 THR HB 1 16 VAL H . . 3.800 3.682 3.389 3.809 0.009 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 15 THR HB 1 17 THR HA . . 6.000 5.799 5.669 5.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 15 THR H 1 30 VAL QG . . 7.030 4.678 4.003 5.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 15 THR H 1 31 ALA HA . . 6.000 4.217 4.051 4.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 15 THR H 1 31 ALA MB . . 4.500 2.509 2.333 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 15 THR H 1 32 GLY HA2 . . 4.440 3.810 3.485 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 15 THR H 1 32 GLY HA3 . . 5.500 5.263 4.974 5.538 0.038 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 15 THR H 1 15 THR HB . . 4.010 3.562 3.494 3.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 15 THR H 1 15 THR MG . . 3.790 3.097 2.955 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 15 THR H 1 16 VAL H . . 4.590 4.325 4.186 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 15 THR H 1 16 VAL QG . . 5.000 4.024 3.718 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 15 THR MG 1 31 ALA H . . 6.000 4.945 4.731 5.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 15 THR MG 1 16 VAL H . . 3.940 3.795 3.621 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 15 THR MG 1 17 THR H . . 7.030 6.767 6.657 6.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 16 VAL HA 1 31 ALA H . . 3.760 3.341 2.909 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 16 VAL HA 1 17 THR H . . 3.070 2.298 2.251 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 16 VAL HB 1 117 VAL HB . . 5.000 5.725 4.717 6.200 1.200 41 38 "[*********-*** .****2 **. ** ** ********+******]" 1
82 1 16 VAL HB 1 117 VAL MG1 . . 3.790 3.248 2.550 3.855 0.065 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 16 VAL HB 1 17 THR H . . 5.500 3.525 2.841 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 16 VAL H 1 117 VAL MG1 . . 7.030 5.159 4.547 5.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 16 VAL H 1 16 VAL HB . . 3.680 3.073 2.211 3.767 0.087 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 16 VAL H 1 16 VAL QG . . 4.010 2.381 1.767 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 16 VAL H 1 17 THR H . . 5.000 4.544 4.502 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 16 VAL QG 1 117 VAL HA . . 5.000 3.831 2.940 4.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 16 VAL QG 1 117 VAL MG1 . . 2.960 2.109 1.516 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 16 VAL QG 1 119 ILE HA . . 7.030 5.180 4.693 5.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 16 VAL QG 1 30 VAL H . . 6.000 4.252 3.522 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 16 VAL QG 1 18 PRO HD2 . . 7.030 5.205 4.807 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 16 VAL QG 1 18 PRO HG3 . . 7.030 6.739 6.358 7.042 0.012 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 16 VAL QG 1 18 PRO HG2 . . 7.030 6.260 5.844 6.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 16 VAL QG 1 19 SER H . . 7.030 4.324 3.874 4.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 16 VAL QG 1 31 ALA H . . 5.000 3.010 2.517 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 16 VAL MG1 1 16 VAL MG2 . . 2.400 2.000 1.848 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 16 VAL QG 1 17 THR H . . 5.500 2.472 1.843 3.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 17 THR HA 1 17 THR MG . . 3.440 3.070 3.037 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 17 THR HA 1 18 PRO HA . . 5.000 4.389 4.385 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 17 THR HA 1 18 PRO HB3 . . 5.000 4.790 4.734 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 17 THR HA 1 18 PRO HB2 . . 5.500 5.757 5.673 5.818 0.318 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 17 THR HB 1 29 LYS HB2 . . 4.310 2.102 1.830 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 17 THR HB 1 29 LYS HB3 . . 5.000 2.708 2.150 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 17 THR HB 1 29 LYS H . . 5.500 1.802 1.650 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 17 THR HB 1 18 PRO HA . . 6.000 5.994 5.974 6.012 0.012 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 17 THR H 1 28 VAL HB . . 5.500 4.114 3.243 5.397 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 17 THR H 1 28 VAL QG . . 7.030 3.560 2.329 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 17 THR H 1 29 LYS H . . 4.120 2.071 1.778 2.718 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 17 THR H 1 17 THR HB . . 3.760 2.114 2.080 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 17 THR H 1 17 THR MG . . 4.190 2.811 2.743 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 17 THR H 1 18 PRO HA . . 6.000 5.782 5.697 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 17 THR H 1 18 PRO HD3 . . 5.500 5.093 5.077 5.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 17 THR MG 1 19 SER H . . 5.500 3.967 3.854 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 17 THR MG 1 29 LYS HB2 . . 3.900 3.519 3.061 4.012 0.112 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 17 THR MG 1 29 LYS H . . 5.500 2.059 1.878 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 17 THR MG 1 18 PRO HA . . 3.870 3.626 3.550 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 17 THR MG 1 18 PRO HB3 . . 4.770 4.392 4.314 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 17 THR MG 1 18 PRO HB2 . . 4.920 4.203 4.139 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 17 THR MG 1 18 PRO HD2 . . 4.770 2.098 1.958 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 17 THR MG 1 18 PRO HD3 . . 4.550 3.337 3.259 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 17 THR MG 1 18 PRO HG3 . . 4.550 4.003 3.862 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 17 THR MG 1 18 PRO HG2 . . 4.460 2.883 2.785 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 18 PRO HA 1 19 SER H . . 3.520 2.183 2.180 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 18 PRO HA 1 20 SER H . . 4.470 3.716 3.324 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 18 PRO HB3 1 19 SER H . . 4.590 4.259 4.212 4.292 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 18 PRO HB3 1 20 SER H . . 4.530 4.612 4.378 4.813 0.283 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 18 PRO HB3 1 22 LEU QD . . 5.000 4.532 4.348 5.084 0.084 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 18 PRO HB2 1 19 SER H . . 4.090 3.798 3.721 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 18 PRO HB2 1 20 SER H . . 3.900 3.300 3.093 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 18 PRO HB2 1 22 LEU QD . . 3.710 3.261 2.998 3.831 0.121 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 18 PRO HD2 1 22 LEU QD . . 5.000 4.336 4.074 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 18 PRO HD2 1 26 THR MG . . 6.000 5.709 5.478 5.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 18 PRO HD2 1 29 LYS H . . 5.500 4.727 4.396 5.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 18 PRO HD3 1 29 LYS H . . 6.000 5.875 5.681 6.222 0.222 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 18 PRO HG3 1 22 LEU QD . . 5.000 4.323 4.161 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 18 PRO HG3 1 26 THR MG . . 7.030 6.398 6.159 6.588 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 18 PRO HG2 1 22 LEU HG . . 6.000 5.618 5.394 6.214 0.214 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 18 PRO HG2 1 22 LEU QD . . 3.740 3.021 2.835 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 19 SER HA 1 120 SER H . . 5.500 5.228 4.451 6.233 0.733 13 6 "[ .- * *+ . *2 . 3 .* 4 . ]" 1
141 1 19 SER HA 1 22 LEU HG . . 3.970 2.240 2.038 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 19 SER HA 1 22 LEU QD . . 4.140 1.562 1.298 1.638 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 19 SER QB 1 119 ILE HA . . 4.380 3.736 2.080 5.069 0.689 13 10 "[* * .*- *1 *+ . * 2 . 3 ** 4 . ]" 1
144 1 19 SER QB 1 120 SER H . . 5.500 3.508 2.469 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 19 SER QB 1 20 SER H . . 5.500 3.942 3.626 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 19 SER QB 1 29 LYS H . . 5.500 5.361 4.726 5.645 0.145 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 19 SER H 1 119 ILE QG . . 6.000 6.304 5.327 6.908 0.908 41 18 "[* -*. * * ** .* *2 .* 3 *.* * *+***. ]" 1
148 1 19 SER H 1 119 ILE MD . . 6.000 6.131 5.019 6.780 0.780 41 12 "[ *. 1* - * .** 3 . **+* ** ]" 1
149 1 19 SER H 1 20 SER HA . . 5.500 4.672 4.355 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 19 SER H 1 20 SER H . . 3.030 2.653 1.975 3.115 0.085 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 19 SER H 1 20 SER QB . . 4.500 3.935 3.499 4.543 0.043 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 19 SER H 1 22 LEU QD . . 5.490 3.714 3.285 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 20 SER HA 1 119 ILE HA . . 5.000 5.508 4.457 6.633 1.633 11 28 "[ * ** * 1+ ** * *****.***** -**. *** **** ]" 1
154 1 20 SER HA 1 120 SER H . . 3.840 3.477 2.380 4.524 0.684 11 1 "[ . 1+ . 2 . 3 . 4 . ]" 1
155 1 20 SER HA 1 121 PHE HA . . 5.500 3.455 2.694 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 20 SER HA 1 21 GLY H . . 3.560 2.186 2.168 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 20 SER HA 1 22 LEU HG . . 4.770 3.822 3.454 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 20 SER HA 1 22 LEU H . . 4.650 3.670 3.284 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 20 SER HA 1 22 LEU QD . . 5.500 3.797 3.523 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 20 SER H 1 120 SER H . . 5.500 5.051 4.016 5.783 0.283 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 20 SER H 1 20 SER QB . . 3.730 2.768 2.092 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 20 SER H 1 21 GLY H . . 5.500 4.192 3.982 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 20 SER H 1 22 LEU HG . . 5.500 3.060 2.733 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 20 SER H 1 22 LEU H . . 4.870 4.425 3.836 4.755 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 20 SER H 1 22 LEU QD . . 4.410 2.814 2.489 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 20 SER H 1 28 VAL QG . . 6.000 5.346 4.654 6.200 0.200 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 20 SER QB 1 120 SER HA . . 6.000 5.394 3.967 6.289 0.289 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 20 SER QB 1 120 SER H . . 4.990 4.165 2.621 5.329 0.339 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 20 SER QB 1 21 GLY H . . 3.870 3.598 3.280 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 21 GLY QA 1 120 SER H . . 6.000 6.627 5.826 7.575 1.575 11 30 "[ * ** * 1+ ** * -*****.*********. *** **** ]" 1
171 1 21 GLY QA 1 122 ASN H . . 5.500 1.864 0.750 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 21 GLY H 1 120 SER HA . . 5.500 5.737 5.001 6.698 1.198 11 13 "[ * ** 1+ * * 2 * .* - 3 *. * ** ]" 1
173 1 21 GLY H 1 120 SER H . . 5.200 4.967 4.185 5.983 0.783 11 1 "[ . 1+ . 2 . 3 . 4 . ]" 1
174 1 21 GLY H 1 120 SER QB . . 4.570 4.704 3.733 6.162 1.592 11 10 "[ *-*. 1+ . 2 ** .* *3 * . 4 * ]" 1
175 1 21 GLY H 1 121 PHE HA . . 5.000 2.297 1.280 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 21 GLY H 1 22 LEU HG . . 5.500 3.604 3.136 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 21 GLY H 1 22 LEU H . . 4.380 2.183 2.073 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 21 GLY H 1 22 LEU QB . . 5.500 4.568 4.462 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 21 GLY H 1 22 LEU QD . . 5.500 3.234 3.002 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 22 LEU HA 1 122 ASN H . . 5.500 5.756 5.083 6.491 0.991 34 11 "[ * *. * 1** * 2 - . *3 +. * .* ]" 1
181 1 22 LEU HA 1 22 LEU HG . . 4.190 3.604 3.419 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 22 LEU HA 1 22 LEU QD . . 4.000 1.961 1.729 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 22 LEU HA 1 23 SER H . . 3.100 2.199 2.177 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 22 LEU HG 1 119 ILE HA . . 5.500 7.104 6.341 7.875 2.375 10 47 [*********+*******************************-*****] 1
185 1 22 LEU HG 1 119 ILE HB . . 6.000 6.986 5.985 7.852 1.852 11 33 "[ * ** * *+ ** * ******.*****-***. *********]" 1
186 1 22 LEU HG 1 119 ILE MD . . 5.500 6.379 5.733 6.815 1.315 41 45 "[***************** ******.*********-*****+******]" 1
187 1 22 LEU HG 1 119 ILE MG . . 5.000 5.130 4.111 6.971 1.971 19 17 "[* * .-* ** ** .* *+2 * 3* **** 4 . ]" 1
188 1 22 LEU HG 1 120 SER H . . 4.350 5.579 4.876 6.193 1.843 19 47 [******************+***************************-] 1
189 1 22 LEU HG 1 23 SER H . . 5.500 5.378 4.803 5.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 22 LEU HG 1 78 VAL QG . . 5.000 3.849 3.346 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 22 LEU H 1 120 SER H . . 5.500 5.864 5.298 6.662 1.162 11 10 "[ * . 1+ * * *2 . *3- *. * * ]" 1
192 1 22 LEU H 1 121 PHE HA . . 3.970 3.311 2.666 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 22 LEU H 1 121 PHE QB . . 5.500 4.641 3.533 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 22 LEU H 1 121 PHE QD . . 5.500 4.484 3.752 5.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 22 LEU H 1 122 ASN HA . . 6.000 5.405 4.892 6.552 0.552 12 1 "[ . 1 + . 2 . 3 . 4 . ]" 1
196 1 22 LEU H 1 122 ASN H . . 4.330 3.459 3.051 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 22 LEU H 1 22 LEU HG . . 4.050 2.295 1.510 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 22 LEU H 1 22 LEU QB . . 3.720 2.705 2.584 3.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 22 LEU H 1 22 LEU QD . . 3.420 2.331 2.132 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 22 LEU H 1 23 SER H . . 5.110 4.511 4.449 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 22 LEU QB 1 122 ASN H . . 5.180 5.735 5.306 6.532 1.352 12 27 "[** *.****1*+* * *2 * * *3******** * **-]" 1
202 1 22 LEU QB 1 23 SER H . . 3.690 3.118 2.848 3.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 22 LEU QD 1 119 ILE MD . . 6.000 5.384 4.283 5.893 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 22 LEU QD 1 120 SER H . . 5.360 5.383 4.059 5.956 0.596 13 4 "[ . * -+ . *2 . 3 . 4 . ]" 1
205 1 22 LEU QD 1 122 ASN H . . 5.500 4.439 3.741 4.977 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 22 LEU QD 1 23 SER H . . 4.770 3.620 3.220 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 22 LEU QD 1 119 ILE HB . . 6.030 6.287 4.657 6.982 0.952 11 24 "[ * ** * 1+ ** * * ** .****- * *. ***** .* ]" 1
208 1 22 LEU QD 1 26 THR HB . . 4.460 3.345 2.051 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 22 LEU QD 1 26 THR H . . 5.500 5.109 3.763 5.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 22 LEU QD 1 26 THR MG . . 3.330 1.809 1.616 2.012 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 22 LEU QD 1 78 VAL QG . . 5.000 2.968 1.365 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 23 SER HA 1 121 PHE HA . . 4.050 6.206 5.340 7.031 2.981 29 47 [****************************+*****************-] 1
213 1 23 SER HA 1 121 PHE QB . . 4.650 5.244 4.269 5.971 1.321 46 30 "[ * *** * 1** ** * *2-********* ***. *****.+ ]" 1
214 1 23 SER HA 1 121 PHE H . . 6.000 8.590 7.781 9.340 3.340 11 47 [**********+***********************************-] 1
215 1 23 SER HA 1 121 PHE QR . . 3.570 3.561 2.760 4.735 1.165 38 9 "[ .** 1* . *2 *- 3 *. + 4 .* ]" 1
216 1 23 SER HA 1 122 ASN H . . 5.270 6.711 5.938 7.457 2.187 29 47 [****************************+*****************-] 1
217 1 23 SER HA 1 24 ASP H . . 3.330 2.501 2.253 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 23 SER HB3 1 78 VAL QG . . 7.030 5.489 4.760 6.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 23 SER H 1 121 PHE QD . . 5.500 5.915 5.265 6.561 1.061 46 17 "[ * *.* 1* ** *2 * . * 3 ***. - ** * .+ ]" 1
220 1 23 SER H 1 122 ASN HA . . 6.000 8.199 7.571 8.817 2.817 46 47 [*********************************************+-] 1
221 1 23 SER H 1 23 SER HB3 . . 4.000 3.309 2.462 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 23 SER H 1 26 THR MG . . 5.030 4.314 3.802 5.073 0.043 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 24 ASP H 1 121 PHE QB . . 6.000 6.923 5.365 7.640 1.640 22 40 "[***** ******** *****+**.*********** -******* ]" 1
224 1 24 ASP H 1 121 PHE QE . . 5.500 5.052 3.713 6.744 1.244 34 3 "[ . 1- . 2 . 3 +. * 4 . ]" 1
225 1 24 ASP H 1 25 GLY H . . 4.500 4.669 4.643 4.690 0.190 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 25 GLY HA3 1 26 THR H . . 4.770 3.074 3.049 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 25 GLY HA2 1 26 THR H . . 4.650 3.499 3.454 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 25 GLY HA2 1 79 ARG QD . . 4.920 4.924 3.397 5.544 0.624 40 1 "[ . 1 . 2 . 3 . + . ]" 1
229 1 25 GLY H 1 121 PHE QE . . 5.500 6.924 5.835 7.574 2.074 34 46 [************************.********+*******-*****] 1
230 1 25 GLY H 1 26 THR H . . 3.900 2.660 2.542 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 25 GLY H 1 78 VAL H . . 5.200 4.719 3.938 5.300 0.100 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 25 GLY H 1 78 VAL QG . . 4.310 4.012 3.003 4.616 0.306 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 25 GLY H 1 79 ARG HA . . 4.010 3.969 3.100 4.641 0.631 40 2 "[ . 1 - . 2 . 3 . + . ]" 1
234 1 25 GLY H 1 79 ARG QD . . 5.500 3.148 1.906 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 25 GLY H 1 80 ARG H . . 5.380 5.410 4.860 6.104 0.724 40 1 "[ . 1 . 2 . 3 . + . ]" 1
236 1 26 THR HA 1 26 THR MG . . 2.990 2.351 2.176 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 26 THR HA 1 27 VAL H . . 2.970 2.274 2.179 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 26 THR HA 1 27 VAL QG . . 4.190 3.620 2.863 4.234 0.044 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 26 THR HB 1 27 VAL H . . 4.650 3.988 3.779 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 26 THR HB 1 27 VAL QG . . 5.500 5.105 4.558 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 26 THR HB 1 78 VAL QG . . 3.510 2.430 1.863 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 26 THR H 1 121 PHE QE . . 6.000 6.772 6.140 7.416 1.416 34 37 "[ * *** * *** ****-******.*** ****+** * ** *****]" 1
243 1 26 THR H 1 26 THR HB . . 3.460 2.413 2.217 2.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 26 THR H 1 26 THR MG . . 3.870 3.720 3.645 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 26 THR H 1 27 VAL H . . 5.230 4.647 4.598 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 26 THR H 1 78 VAL H . . 5.500 4.630 4.087 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 26 THR H 1 78 VAL QG . . 4.090 3.358 2.497 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 26 THR H 1 79 ARG HA . . 5.500 5.499 4.879 6.133 0.633 40 1 "[ . 1 . 2 . 3 . + . ]" 1
249 1 26 THR MG 1 27 VAL H . . 3.520 2.101 1.799 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 26 THR MG 1 28 VAL H . . 5.500 4.063 3.626 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 26 THR MG 1 77 THR HA . . 5.500 5.227 4.878 5.510 0.010 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 27 VAL HA 1 27 VAL QG . . 3.150 2.227 2.062 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 27 VAL HA 1 28 VAL H . . 3.360 2.176 2.162 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 27 VAL HB 1 28 VAL H . . 5.500 4.282 3.015 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 27 VAL H 1 27 VAL HB . . 3.510 3.021 2.476 3.600 0.090 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 27 VAL H 1 27 VAL QG . . 3.570 1.997 1.839 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 27 VAL MG1 1 27 VAL MG2 . . 2.460 2.017 1.833 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 27 VAL QG 1 28 VAL H . . 3.830 2.710 1.861 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 27 VAL QG 1 29 LYS H . . 5.500 4.626 3.550 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 27 VAL QG 1 77 THR HA . . 5.000 3.035 2.066 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 27 VAL QG 1 78 VAL QG . . 5.500 4.289 3.619 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 27 VAL QG 1 76 LEU H . . 4.380 3.605 3.024 4.484 0.104 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 28 VAL HB 1 29 LYS H . . 3.850 3.061 2.186 3.938 0.088 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 28 VAL H 1 28 VAL QG . . 3.380 1.950 1.734 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 28 VAL H 1 76 LEU HB3 . . 5.500 3.976 3.075 4.671 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 28 VAL H 1 76 LEU H . . 4.010 3.691 3.136 4.363 0.353 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 28 VAL QG 1 29 LYS H . . 4.140 2.792 1.770 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 29 LYS HA 1 29 LYS QD . . 4.920 2.918 1.995 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 29 LYS HA 1 29 LYS QE . . 5.500 4.430 3.818 4.626 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 29 LYS HA 1 31 ALA H . . 6.000 5.809 5.603 5.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 29 LYS HA 1 75 SER HA . . 3.460 2.473 2.153 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 29 LYS HB2 1 29 LYS QD . . 3.450 3.273 2.425 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 29 LYS HB2 1 30 VAL H . . 4.950 4.303 4.192 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 29 LYS HB2 1 76 LEU H . . 5.500 5.660 5.302 5.947 0.447 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 29 LYS HB3 1 30 VAL H . . 5.350 3.528 3.205 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 29 LYS HB3 1 76 LEU H . . 6.000 6.077 5.700 6.340 0.340 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 29 LYS QG 1 30 VAL H . . 4.920 2.964 2.516 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 29 LYS QG 1 75 SER H . . 6.000 5.264 4.747 6.094 0.094 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 29 LYS QG 1 75 SER QB . . 4.920 3.605 2.955 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 29 LYS H 1 29 LYS HB2 . . 3.850 2.504 2.113 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 29 LYS H 1 29 LYS HB3 . . 3.840 3.004 2.701 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 29 LYS H 1 29 LYS QG . . 4.950 3.968 3.644 4.116 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 29 LYS H 1 29 LYS QD . . 5.500 4.488 4.316 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 29 LYS H 1 30 VAL H . . 5.500 4.524 4.183 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 29 LYS H 1 30 VAL QG . . 6.000 4.515 3.715 5.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 29 LYS QD 1 31 ALA MB . . 3.900 2.937 2.704 4.067 0.167 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 29 LYS QD 1 75 SER QB . . 4.920 4.853 2.525 5.424 0.504 20 1 "[ . 1 . + . 3 . 4 . ]" 1
288 1 29 LYS QD 1 76 LEU H . . 5.500 5.477 4.560 5.741 0.241 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 30 VAL HA 1 30 VAL QG . . 3.300 1.989 1.868 2.144 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 30 VAL HA 1 31 ALA MB . . 4.140 4.046 3.985 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 30 VAL HA 1 106 LEU QD . . 4.550 5.624 5.048 6.061 1.511 11 46 [*****-****+*************.**********************] 1
292 1 30 VAL HB 1 31 ALA H . . 5.360 4.285 3.755 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 30 VAL HB 1 74 THR H . . 4.400 4.483 3.716 4.875 0.475 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 30 VAL HB 1 75 SER HA . . 5.360 4.886 3.587 5.678 0.318 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 30 VAL H 1 30 VAL HB . . 3.460 3.165 2.808 3.582 0.122 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 30 VAL H 1 30 VAL QG . . 3.650 2.324 1.756 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 30 VAL H 1 31 ALA MB . . 5.500 4.333 4.138 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 30 VAL H 1 74 THR MG . . 6.000 3.720 2.595 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 30 VAL H 1 75 SER HA . . 4.980 3.242 2.738 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 30 VAL H 1 75 SER H . . 6.000 5.101 4.472 5.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 30 VAL QG 1 31 ALA H . . 3.740 3.135 2.657 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 30 VAL QG 1 74 THR HB . . 4.000 3.373 2.506 4.205 0.205 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 30 VAL QG 1 74 THR H . . 4.340 3.039 1.934 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 30 VAL QG 1 75 SER HA . . 3.650 3.348 2.553 4.132 0.482 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 30 VAL QG 1 75 SER H . . 5.500 4.199 3.814 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 30 VAL QG 1 75 SER QB . . 5.500 4.748 4.042 5.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 30 VAL QG 1 76 LEU H . . 6.030 3.360 2.316 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 30 VAL QG 1 105 GLY H . . 5.500 4.544 4.080 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 30 VAL MG1 1 30 VAL MG2 . . 2.400 2.040 1.954 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 30 VAL QG 1 76 LEU HB2 . . 4.100 2.805 1.847 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 31 ALA HA 1 32 GLY H . . 3.040 2.168 2.166 2.172 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 31 ALA HA 1 73 SER HA . . 3.270 2.541 2.201 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 31 ALA HA 1 73 SER H . . 4.530 4.861 4.567 5.204 0.674 27 5 "[ .* 1 . * . +* 3 . -4 . ]" 1
314 1 31 ALA HA 1 74 THR H . . 4.360 3.633 3.162 4.027 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 31 ALA H 1 31 ALA MB . . 3.170 2.390 2.323 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 31 ALA MB 1 32 GLY H . . 3.370 3.333 3.225 3.385 0.015 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 31 ALA MB 1 71 SER HA . . 5.500 5.703 5.474 6.030 0.530 11 1 "[ . 1+ . 2 . 3 . 4 . ]" 1
318 1 31 ALA MB 1 73 SER HA . . 3.870 3.267 2.847 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 31 ALA MB 1 73 SER QB . . 3.670 3.418 2.549 3.848 0.178 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 31 ALA MB 1 74 THR H . . 5.500 4.170 3.699 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 32 GLY HA2 1 33 ALA H . . 3.320 2.256 2.223 2.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 32 GLY HA2 1 35 LEU QD . . 4.310 2.433 2.077 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 32 GLY HA2 1 106 LEU QD . . 5.000 5.006 4.676 5.339 0.339 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 32 GLY HA3 1 35 LEU HG . . 3.900 3.293 2.671 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 32 GLY HA3 1 35 LEU QD . . 3.710 1.674 1.563 1.815 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 32 GLY HA3 1 72 ALA H . . 5.490 3.327 2.903 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 32 GLY HA3 1 106 LEU QD . . 4.010 4.319 4.076 4.521 0.511 41 1 "[ . 1 . 2 . 3 . 4+ . ]" 1
328 1 32 GLY H 1 33 ALA H . . 5.040 4.625 4.555 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 32 GLY H 1 35 LEU QD . . 5.500 3.343 3.135 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 32 GLY H 1 72 ALA H . . 4.000 2.893 2.678 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 32 GLY H 1 72 ALA MB . . 5.420 3.135 2.758 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 32 GLY H 1 73 SER HA . . 4.560 3.815 3.088 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 32 GLY H 1 73 SER QB . . 5.500 5.111 4.111 5.506 0.006 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 32 GLY H 1 106 LEU QD . . 4.770 4.604 4.210 4.872 0.102 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 33 ALA HA 1 34 GLY H . . 3.250 2.178 2.166 2.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 33 ALA HA 1 35 LEU QD . . 4.770 2.744 2.227 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 33 ALA HA 1 71 SER HA . . 3.790 3.103 2.724 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 33 ALA HA 1 71 SER QB . . 3.740 3.326 2.787 3.881 0.141 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 33 ALA HA 1 72 ALA H . . 4.670 4.418 3.993 4.873 0.203 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 33 ALA H 1 33 ALA MB . . 2.990 2.581 2.453 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 33 ALA H 1 35 LEU HG . . 5.500 3.182 2.624 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 33 ALA MB 1 34 GLY H . . 3.570 3.430 3.202 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 33 ALA MB 1 71 SER HA . . 3.900 4.451 4.118 4.750 0.850 28 31 "[* .** *1** -** **** * .**+ ** *** * ******.**]" 1
344 1 33 ALA MB 1 72 ALA H . . 4.970 5.148 4.778 5.437 0.467 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 34 GLY H 1 35 LEU HB2 . . 6.000 4.883 4.643 5.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 34 GLY H 1 35 LEU HB3 . . 5.500 5.585 5.482 5.689 0.189 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 34 GLY H 1 35 LEU HG . . 5.500 3.407 3.051 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 34 GLY H 1 70 GLY HA2 . . 5.500 5.315 4.923 5.761 0.261 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 34 GLY H 1 71 SER HA . . 4.990 3.685 3.233 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 34 GLY H 1 72 ALA H . . 5.500 5.495 4.976 6.145 0.645 20 1 "[ . 1 . + . 3 . 4 . ]" 1
351 1 35 LEU HA 1 35 LEU QD . . 3.500 2.650 1.779 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 35 LEU HA 1 36 GLN HB2 . . 5.500 4.918 4.749 5.153 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 35 LEU HA 1 36 GLN H . . 3.590 2.624 2.446 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 35 LEU HB2 1 35 LEU HG . . 3.040 2.699 2.290 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 35 LEU HB2 1 36 GLN HA . . 4.770 4.686 4.445 4.857 0.087 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 35 LEU HB2 1 36 GLN H . . 3.380 2.700 2.288 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 35 LEU HB2 1 66 ALA MB . . 3.840 3.106 2.693 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 35 LEU HB2 1 72 ALA H . . 6.000 5.251 4.660 5.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 35 LEU HB3 1 36 GLN HA . . 5.500 5.204 4.943 5.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 35 LEU HB3 1 36 GLN H . . 4.070 2.578 2.231 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 35 LEU HB3 1 66 ALA MB . . 5.000 4.423 3.853 4.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 35 LEU HG 1 36 GLN H . . 5.000 4.745 4.488 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 35 LEU HG 1 66 ALA MB . . 5.000 4.630 3.718 5.347 0.347 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 35 LEU HG 1 71 SER HA . . 4.010 4.051 3.052 5.077 1.067 20 22 "[**-*** * * *. * +** *** *3** *. * 4 * . ]" 1
365 1 35 LEU HG 1 72 ALA MB . . 5.000 4.850 3.703 5.867 0.867 6 15 "[* .+ 1 *. * *** ** -3** *. * 4 * . ]" 1
366 1 35 LEU HG 1 106 LEU QD . . 5.000 5.634 5.146 5.993 0.993 42 31 "[****** * * **. ** *** *** *3** *.-* 4*+*****]" 1
367 1 35 LEU H 1 35 LEU HB2 . . 3.290 2.941 2.737 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 35 LEU H 1 35 LEU HB3 . . 3.760 3.562 3.500 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 35 LEU H 1 35 LEU HG . . 4.090 2.043 1.761 2.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 35 LEU H 1 35 LEU QD . . 4.010 1.783 1.642 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 35 LEU H 1 36 GLN H . . 5.160 4.512 4.380 4.603 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 35 LEU H 1 37 ALA H . . 6.000 6.113 6.041 6.188 0.188 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 35 LEU H 1 66 ALA MB . . 5.420 4.643 4.278 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 35 LEU H 1 70 GLY HA2 . . 4.180 4.666 4.321 5.061 0.881 46 21 "[ .** 1* -** ** * ** * ** * *****.+ ]" 1
375 1 35 LEU H 1 70 GLY HA3 . . 4.790 3.951 3.605 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 35 LEU H 1 70 GLY H . . 5.500 6.403 6.072 6.793 1.293 6 47 [*****+*******************************-*********] 1
377 1 35 LEU H 1 71 SER HA . . 5.500 3.965 3.509 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 35 LEU H 1 71 SER QB . . 4.550 5.087 4.713 5.544 0.994 20 28 "[ ** * 1 *.* * +** ********** * * *4 ***-**]" 1
379 1 35 LEU QD 1 113 GLY QA . . 5.360 4.033 3.310 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 35 LEU QD 1 36 GLN H . . 4.650 3.732 3.516 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 35 LEU QD 1 72 ALA HA . . 5.500 4.875 4.143 5.536 0.036 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 35 LEU QD 1 106 LEU HB3 . . 6.000 6.257 5.364 6.621 0.621 44 5 "[ . 1 . * . - . 4 **+. ]" 1
383 1 35 LEU QD 1 106 LEU QD . . 3.290 3.212 2.956 3.494 0.204 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 35 LEU MD1 1 35 LEU MD2 . . 2.400 1.932 1.835 2.059 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 35 LEU QD 1 66 ALA MB . . 5.000 3.123 2.365 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 35 LEU QD 1 72 ALA H . . 4.000 3.004 2.203 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 36 GLN HA 1 36 GLN QG . . 3.760 2.273 2.091 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 36 GLN HA 1 37 ALA H . . 2.910 2.164 2.161 2.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 36 GLN HA 1 37 ALA MB . . 4.140 3.924 3.893 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 36 GLN HB2 1 36 GLN QG . . 2.680 2.449 2.369 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 36 GLN HB2 1 37 ALA H . . 4.730 4.398 4.234 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 36 GLN HB3 1 37 ALA H . . 4.770 3.495 3.382 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 36 GLN QE 1 108 ASP HA . . 6.000 7.264 6.773 7.712 1.712 47 47 [********-*************************************+] 1
394 1 36 GLN H 1 36 GLN HB2 . . 3.660 2.347 2.216 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 36 GLN H 1 36 GLN HB3 . . 3.700 3.565 3.527 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 36 GLN H 1 36 GLN QG . . 4.100 2.506 1.882 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 36 GLN H 1 37 ALA H . . 5.450 4.532 4.491 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 36 GLN H 1 39 THR MG . . 6.030 3.249 2.075 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 36 GLN H 1 41 TYR QD . . 5.500 5.315 4.782 5.639 0.139 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 36 GLN H 1 66 ALA MB . . 5.320 4.393 3.757 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 36 GLN QG 1 37 ALA H . . 4.830 4.030 3.890 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 37 ALA HA 1 38 GLY H . . 2.950 2.193 2.176 2.238 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 37 ALA HA 1 39 THR H . . 4.740 3.237 3.148 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 37 ALA HA 1 66 ALA MB . . 3.340 2.425 2.002 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 37 ALA HA 1 70 GLY HA3 . . 4.550 3.256 2.706 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 37 ALA HA 1 70 GLY H . . 4.570 3.117 2.832 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 37 ALA H 1 37 ALA MB . . 3.160 2.038 1.993 2.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 37 ALA H 1 38 GLY H . . 5.500 4.607 4.576 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 37 ALA H 1 39 THR HB . . 4.000 4.205 4.157 4.274 0.274 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 37 ALA H 1 70 GLY HA3 . . 5.500 3.957 3.538 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 37 ALA MB 1 38 GLY H . . 3.760 3.115 2.946 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 37 ALA MB 1 68 ALA HA . . 3.060 2.639 2.216 3.239 0.179 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 37 ALA MB 1 68 ALA H . . 5.500 4.711 4.265 5.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 37 ALA MB 1 69 ASN HA . . 5.360 4.162 3.894 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 37 ALA MB 1 70 GLY H . . 4.150 2.533 2.111 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 38 GLY QA 1 65 THR HB . . 5.000 5.380 5.009 5.718 0.718 6 7 "[ .+ 1 . * * * 3 . - 4 * .* ]" 1
417 1 38 GLY QA 1 65 THR MG . . 4.100 3.003 2.708 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 38 GLY H 1 39 THR HA . . 4.970 5.192 5.135 5.254 0.284 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 38 GLY H 1 65 THR MG . . 3.970 3.977 3.688 4.368 0.398 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 38 GLY H 1 66 ALA H . . 5.130 4.270 3.984 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 38 GLY H 1 66 ALA MB . . 5.000 2.597 2.318 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 38 GLY H 1 67 ASP HA . . 5.500 3.897 3.421 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 38 GLY H 1 67 ASP H . . 5.500 4.306 3.943 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 38 GLY H 1 69 ASN H . . 6.000 5.656 5.352 6.005 0.005 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 39 THR HA 1 39 THR MG . . 3.370 2.864 2.713 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 39 THR HA 1 40 ALA H . . 3.340 2.229 2.184 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 39 THR HA 1 40 ALA MB . . 4.190 3.922 3.834 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 39 THR HB 1 40 ALA H . . 5.000 4.373 4.244 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 39 THR H 1 39 THR HB . . 3.560 2.183 2.137 2.336 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 39 THR H 1 39 THR MG . . 4.550 3.160 2.560 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 39 THR H 1 40 ALA H . . 5.040 4.583 4.534 4.634 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 39 THR H 1 41 TYR QD . . 7.310 5.533 5.123 5.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 39 THR H 1 65 THR MG . . 4.800 3.848 3.507 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 39 THR H 1 66 ALA H . . 4.840 3.741 3.382 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 39 THR H 1 66 ALA MB . . 3.310 2.586 2.406 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 39 THR H 1 67 ASP HA . . 5.500 6.101 5.774 6.433 0.933 6 38 "[** **+** * * *** *****-************ * ***** .**]" 1
437 1 39 THR H 1 72 ALA MB . . 6.000 6.009 5.527 6.228 0.228 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 39 THR MG 1 109 ALA H . . 5.000 5.564 4.666 6.826 1.826 47 22 "[ *- ** * .** ** * ** * 3 *. *** * ***+]" 1
439 1 39 THR MG 1 40 ALA H . . 3.680 2.605 2.229 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 40 ALA HA 1 41 TYR H . . 3.200 2.296 2.198 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 40 ALA HA 1 66 ALA H . . 4.110 3.388 3.110 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 40 ALA H 1 40 ALA MB . . 3.320 2.184 2.051 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 40 ALA H 1 41 TYR H . . 5.500 4.622 4.530 4.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 40 ALA MB 1 41 TYR H . . 3.990 2.785 2.657 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 40 ALA MB 1 66 ALA H . . 5.420 4.812 4.595 5.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 41 TYR HA 1 109 ALA H . . 5.000 5.553 4.925 5.992 0.992 10 30 "[-**** ** +* *** ** ** * .* * * *. ***** ****]" 1
447 1 41 TYR HA 1 109 ALA MB . . 6.000 6.791 6.249 7.162 1.162 10 43 "[***** ** +* ************.*******-**************]" 1
448 1 41 TYR HA 1 42 ASP H . . 3.280 2.265 2.187 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 41 TYR HA 1 107 SER H . . 5.400 4.177 3.527 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 41 TYR H 1 41 TYR QB . . 3.900 2.573 2.481 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 41 TYR H 1 41 TYR QD . . 3.950 3.712 3.374 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 41 TYR H 1 42 ASP HB2 . . 6.000 5.920 5.581 6.092 0.092 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 41 TYR H 1 42 ASP H . . 5.300 4.408 4.321 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 41 TYR H 1 63 SER HA . . 5.500 5.064 4.797 5.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 41 TYR H 1 64 VAL MG1 . . 4.940 3.460 3.254 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 41 TYR H 1 65 THR MG . . 5.500 4.472 4.291 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 41 TYR H 1 66 ALA H . . 5.430 4.585 4.282 4.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 41 TYR QB 1 42 ASP H . . 6.000 2.882 2.575 3.186 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 41 TYR QB 1 43 VAL QG . . 3.970 3.139 3.024 3.326 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 41 TYR QB 1 64 VAL H . . 3.500 4.080 3.795 4.371 0.871 6 36 "[-** *+** * *** ******** ** ****** * ** ******]" 1
461 1 41 TYR QB 1 64 VAL MG2 . . 4.000 4.300 3.922 4.507 0.507 20 1 "[ . 1 . + . 3 . 4 . ]" 1
462 1 41 TYR QB 1 106 LEU HA . . 5.100 4.059 3.616 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 41 TYR QB 1 106 LEU HB2 . . 4.140 2.302 1.904 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 41 TYR QB 1 106 LEU HB3 . . 4.550 2.984 1.359 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 41 TYR QB 1 106 LEU QD . . 3.870 0.826 0.438 1.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 41 TYR QB 1 107 SER H . . 4.190 4.254 3.625 4.774 0.584 10 1 "[ . + . 2 . 3 . 4 . ]" 1
467 1 41 TYR QD 1 42 ASP HB2 . . 5.500 5.610 5.176 6.424 0.924 19 13 "[* * 1 - *** +2 * * **3 . * 4 * . ]" 1
468 1 41 TYR QD 1 42 ASP H . . 5.240 3.374 3.169 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 41 TYR QD 1 64 VAL HB . . 6.000 6.685 6.213 6.981 0.981 43 41 "[** ******* ***** -********** ****** * ****+****]" 1
470 1 41 TYR QD 1 64 VAL MG2 . . 4.650 4.556 4.106 4.862 0.212 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 41 TYR QD 1 66 ALA H . . 4.140 3.521 3.130 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 41 TYR QD 1 66 ALA MB . . 3.360 3.211 3.039 3.433 0.073 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 41 TYR QD 1 106 LEU HB2 . . 4.650 4.192 2.661 4.697 0.047 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 41 TYR QD 1 106 LEU HB3 . . 5.360 4.916 2.100 5.547 0.187 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 41 TYR QD 1 106 LEU QD . . 4.380 2.271 1.847 3.175 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 41 TYR QD 1 107 SER HA . . 4.050 3.503 2.714 4.782 0.732 38 2 "[ . 1 . 2 . 3 . + 4 - ]" 1
477 1 41 TYR QD 1 107 SER H . . 4.630 4.997 4.303 5.350 0.720 10 19 "[*** **-* + * .* **** *. 3** ** 4 . ]" 1
478 1 41 TYR QD 1 108 ASP HB3 . . 4.650 3.335 2.484 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
479 1 41 TYR QD 1 108 ASP H . . 5.500 3.891 3.365 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
480 1 42 ASP HA 1 43 VAL H . . 3.630 2.166 2.162 2.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
481 1 42 ASP HA 1 63 SER HA . . 3.790 3.005 2.558 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
482 1 42 ASP HA 1 63 SER QB . . 4.310 3.768 3.495 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
483 1 42 ASP HA 1 64 VAL H . . 4.000 4.079 3.809 4.234 0.234 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
484 1 42 ASP HB2 1 43 VAL H . . 5.500 4.465 4.128 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
485 1 42 ASP HB2 1 43 VAL QG . . 5.000 4.975 4.901 5.091 0.091 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
486 1 42 ASP HB2 1 106 LEU HB2 . . 6.000 4.483 3.725 6.860 0.860 25 1 "[ . 1 . 2 + 3 . 4 . ]" 1
487 1 42 ASP HB2 1 106 LEU QD . . 6.000 4.770 4.291 5.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
488 1 42 ASP HB2 1 107 SER H . . 4.010 1.859 1.125 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
489 1 42 ASP HB3 1 43 VAL H . . 4.890 3.948 3.621 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
490 1 42 ASP HB3 1 107 SER H . . 5.500 1.806 1.342 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
491 1 42 ASP H 1 42 ASP HB2 . . 3.490 2.569 2.207 3.336 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
492 1 42 ASP H 1 107 SER H . . 4.130 1.947 1.297 2.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
493 1 43 VAL HA 1 43 VAL QG . . 2.930 1.931 1.863 2.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
494 1 43 VAL HA 1 44 GLY H . . 3.270 2.264 2.208 2.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
495 1 43 VAL HA 1 106 LEU H . . 5.000 3.113 2.774 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
496 1 43 VAL HA 1 107 SER QB . . 6.000 5.515 4.937 5.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
497 1 43 VAL HA 1 107 SER H . . 4.870 3.926 3.477 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
498 1 43 VAL HB 1 44 GLY HA2 . . 4.770 4.186 4.066 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
499 1 43 VAL HB 1 44 GLY H . . 5.500 3.588 3.368 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
500 1 43 VAL HB 1 62 SER H . . 4.130 2.966 2.506 3.244 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
501 1 43 VAL HB 1 63 SER H . . 5.000 4.869 4.577 5.142 0.142 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
502 1 43 VAL HB 1 74 THR HB . . 5.500 5.320 4.764 5.658 0.158 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
503 1 43 VAL HB 1 76 LEU QD . . 3.690 2.398 2.016 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
504 1 43 VAL HB 1 104 VAL MG2 . . 6.000 5.164 4.518 5.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
505 1 43 VAL H 1 43 VAL QG . . 4.100 1.997 1.834 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
506 1 43 VAL H 1 44 GLY H . . 5.380 4.576 4.546 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
507 1 43 VAL H 1 61 PHE QB . . 5.500 5.583 4.832 6.011 0.511 18 1 "[ . 1 . + 2 . 3 . 4 . ]" 1
508 1 43 VAL H 1 63 SER HA . . 4.850 2.813 2.621 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
509 1 43 VAL H 1 63 SER H . . 5.500 4.745 4.339 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
510 1 43 VAL QG 1 63 SER H . . 5.500 3.818 3.264 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
511 1 43 VAL QG 1 74 THR HB . . 3.460 3.198 2.971 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
512 1 43 VAL QG 1 75 SER H . . 6.000 4.962 4.625 5.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
513 1 43 VAL QG 1 76 LEU QD . . 3.500 2.038 1.686 2.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
514 1 43 VAL QG 1 77 THR H . . 6.000 5.656 5.315 5.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
515 1 43 VAL QG 1 107 SER H . . 5.500 3.972 3.411 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
516 1 43 VAL MG1 1 43 VAL MG2 . . 2.400 1.954 1.897 2.046 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
517 1 43 VAL QG 1 44 GLY H . . 3.890 2.442 2.031 2.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
518 1 43 VAL QG 1 45 GLN H . . 6.000 5.476 5.051 5.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
519 1 43 VAL QG 1 61 PHE HA . . 5.360 4.821 4.299 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
520 1 43 VAL QG 1 62 SER HB2 . . 4.650 4.076 2.270 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
521 1 43 VAL QG 1 62 SER HB3 . . 3.940 3.060 2.538 3.980 0.040 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
522 1 43 VAL QG 1 62 SER H . . 4.680 3.696 3.423 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
523 1 43 VAL QG 1 63 SER HA . . 5.000 2.750 2.384 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
524 1 43 VAL QG 1 63 SER QB . . 6.000 4.252 3.914 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
525 1 43 VAL QG 1 74 THR MG . . 2.700 2.123 1.932 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
526 1 43 VAL QG 1 106 LEU HA . . 3.970 2.595 2.196 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
527 1 43 VAL QG 1 106 LEU HB2 . . 4.460 1.978 1.207 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
528 1 43 VAL QG 1 106 LEU HB3 . . 4.650 1.140 0.357 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
529 1 43 VAL QG 1 106 LEU HG . . 5.000 2.987 0.499 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
530 1 43 VAL QG 1 106 LEU QD . . 5.000 1.818 1.409 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
531 1 44 GLY HA2 1 45 GLN H . . 3.530 2.444 2.268 2.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
532 1 44 GLY HA2 1 61 PHE HA . . 4.380 2.188 1.897 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
533 1 44 GLY HA2 1 61 PHE QD . . 4.920 3.897 2.493 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
534 1 44 GLY HA2 1 62 SER H . . 5.500 3.062 2.818 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
535 1 44 GLY HA2 1 76 LEU QD . . 4.050 2.486 2.061 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
536 1 44 GLY HA3 1 45 GLN H . . 4.100 2.782 2.646 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
537 1 44 GLY HA3 1 61 PHE QD . . 4.550 3.789 2.157 4.902 0.352 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
538 1 44 GLY HA3 1 104 VAL MG1 . . 4.920 4.386 3.991 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
539 1 44 GLY H 1 45 GLN H . . 5.500 4.370 4.248 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
540 1 44 GLY H 1 61 PHE HA . . 4.920 4.633 4.270 4.962 0.042 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
541 1 44 GLY H 1 76 LEU QD . . 4.650 2.914 2.398 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
542 1 44 GLY H 1 77 THR MG . . 7.030 7.164 6.629 7.526 0.496 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
543 1 44 GLY H 1 105 GLY H . . 4.020 1.619 1.306 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
544 1 44 GLY H 1 106 LEU HA . . 5.320 3.762 3.214 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
545 1 44 GLY H 1 107 SER H . . 6.000 5.591 5.113 6.041 0.041 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
546 1 45 GLN HA 1 45 GLN QE . . 5.500 4.499 4.268 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
547 1 45 GLN HA 1 45 GLN HG2 . . 4.140 3.164 2.414 3.424 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
548 1 45 GLN HA 1 45 GLN HG3 . . 4.140 2.749 2.478 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
549 1 45 GLN HA 1 46 CYS H . . 3.170 2.169 2.161 2.191 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
550 1 45 GLN HA 1 104 VAL HA . . 3.690 2.264 1.963 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
551 1 45 GLN HA 1 104 VAL MG2 . . 3.870 2.274 1.917 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
552 1 45 GLN HA 1 105 GLY H . . 4.000 4.169 3.656 4.661 0.661 11 2 "[ . - 1+ . 2 . 3 . 4 . ]" 1
553 1 45 GLN HB3 1 45 GLN HG3 . . 3.120 3.041 3.009 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
554 1 45 GLN HB3 1 57 ASN HB2 . . 4.650 4.873 4.175 5.237 0.587 40 4 "[ .* 1 . * 2 . 3 . + .- ]" 1
555 1 45 GLN HB3 1 57 ASN QD . . 4.870 3.714 3.045 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
556 1 45 GLN HB3 1 57 ASN H . . 5.500 4.370 3.637 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
557 1 45 GLN HB3 1 76 LEU QD . . 4.920 2.856 2.339 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
558 1 45 GLN HB3 1 104 VAL MG2 . . 4.650 3.445 2.938 3.883 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
559 1 45 GLN HB3 1 104 VAL MG1 . . 5.500 5.279 4.815 5.690 0.190 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
560 1 45 GLN HB2 1 46 CYS H . . 5.380 4.265 4.004 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
561 1 45 GLN HB2 1 76 LEU QD . . 4.050 2.084 1.793 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
562 1 45 GLN HB2 1 104 VAL MG2 . . 4.380 2.108 1.814 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
563 1 45 GLN HB2 1 104 VAL MG1 . . 4.650 4.269 3.550 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
564 1 45 GLN QE 1 119 ILE MD . . 4.370 2.835 2.126 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
565 1 45 GLN QE 1 121 PHE QD . . 5.500 5.196 4.569 5.569 0.069 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
566 1 45 GLN QE 1 78 VAL HA . . 5.500 2.336 1.780 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
567 1 45 GLN QE 1 78 VAL QG . . 4.420 2.575 2.077 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
568 1 45 GLN QE 1 79 ARG HB2 . . 4.770 3.212 1.775 3.894 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
569 1 45 GLN QE 1 79 ARG HB3 . . 5.500 4.299 2.859 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
570 1 45 GLN QE 1 79 ARG H . . 3.940 1.420 0.807 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
571 1 45 GLN QE 1 82 PHE QD . . 6.000 4.112 3.404 4.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
572 1 45 GLN QE 1 102 CYS HB2 . . 4.770 3.224 2.568 4.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
573 1 45 GLN QE 1 102 CYS HB3 . . 4.700 2.894 2.014 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
574 1 45 GLN QE 1 104 VAL MG2 . . 6.000 3.801 3.019 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
575 1 45 GLN QE 1 119 ILE QG . . 5.500 4.790 4.057 5.862 0.362 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
576 1 45 GLN QE 1 60 ASP QB . . 6.000 4.689 4.537 4.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
577 1 45 GLN QE 1 102 CYS HA . . 6.000 5.053 4.421 5.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
578 1 45 GLN HG2 1 119 ILE MD . . 4.310 4.329 2.816 4.892 0.582 28 2 "[ . 1 . 2 - + 3 . 4 . ]" 1
579 1 45 GLN HG2 1 46 CYS H . . 4.460 3.459 2.713 3.818 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
580 1 45 GLN HG2 1 103 GLN H . . 4.770 4.335 3.255 4.970 0.200 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
581 1 45 GLN HG2 1 104 VAL MG2 . . 4.250 4.210 3.231 4.712 0.462 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
582 1 45 GLN HG3 1 46 CYS H . . 3.900 3.453 3.198 4.206 0.306 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
583 1 45 GLN HG3 1 103 GLN H . . 4.190 3.515 2.862 4.603 0.413 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
584 1 45 GLN H 1 45 GLN HB3 . . 3.870 2.387 2.207 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
585 1 45 GLN H 1 45 GLN HB2 . . 4.080 3.165 2.634 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
586 1 45 GLN H 1 45 GLN HG2 . . 4.960 4.066 3.709 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
587 1 45 GLN H 1 45 GLN HG3 . . 5.500 4.620 4.517 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
588 1 45 GLN H 1 46 CYS HA . . 5.500 4.944 4.758 5.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
589 1 45 GLN H 1 46 CYS QB . . 6.000 5.666 5.474 5.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
590 1 45 GLN H 1 56 CYS HA . . 5.500 5.175 4.840 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
591 1 45 GLN H 1 57 ASN HB2 . . 6.000 5.519 4.870 6.113 0.113 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
592 1 45 GLN H 1 57 ASN HB3 . . 4.740 3.980 3.316 5.284 0.544 6 1 "[ .+ 1 . 2 . 3 . 4 . ]" 1
593 1 45 GLN H 1 57 ASN QD . . 5.500 4.931 4.149 5.359 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
594 1 45 GLN H 1 57 ASN H . . 5.140 3.653 3.404 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
595 1 45 GLN H 1 61 PHE QD . . 6.000 5.319 4.129 6.231 0.231 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
596 1 45 GLN H 1 76 LEU QD . . 4.630 3.073 2.826 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
597 1 45 GLN H 1 77 THR MG . . 5.180 5.322 4.897 5.604 0.424 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
598 1 46 CYS HA 1 47 ALA H . . 3.520 2.358 2.232 2.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
599 1 46 CYS HA 1 47 ALA MB . . 4.650 3.827 3.717 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
600 1 46 CYS HA 1 56 CYS HB2 . . 4.770 4.917 4.421 5.072 0.302 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
601 1 46 CYS HA 1 56 CYS HB3 . . 4.460 4.414 4.218 4.657 0.197 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
602 1 46 CYS HA 1 57 ASN H . . 3.900 3.341 2.879 3.929 0.029 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
603 1 46 CYS HA 1 82 PHE QE . . 3.940 3.437 2.695 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
604 1 46 CYS QB 1 47 ALA H . . 3.530 2.664 2.215 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
605 1 46 CYS QB 1 54 LEU HB2 . . 4.310 3.631 3.229 4.863 0.553 20 3 "[ . 1 . + * 3 . 4 - . ]" 1
606 1 46 CYS QB 1 54 LEU MD2 . . 4.050 3.200 1.675 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
607 1 46 CYS QB 1 54 LEU MD1 . . 3.840 1.980 1.584 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
608 1 46 CYS QB 1 54 LEU HB3 . . 4.770 4.402 3.156 4.805 0.035 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
609 1 46 CYS QB 1 54 LEU HG . . 4.460 3.476 2.433 4.763 0.303 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
610 1 46 CYS QB 1 55 ALA H . . 5.500 4.160 3.823 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
611 1 46 CYS H 1 47 ALA H . . 5.000 4.531 4.432 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
612 1 46 CYS H 1 82 PHE QE . . 6.000 5.267 4.828 5.578 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
613 1 46 CYS H 1 103 GLN HB3 . . 6.000 4.944 3.761 5.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
614 1 46 CYS H 1 103 GLN HB2 . . 6.000 5.608 4.302 5.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
615 1 46 CYS H 1 103 GLN QG . . 6.000 3.345 2.743 5.727 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
616 1 46 CYS H 1 103 GLN H . . 4.570 2.888 2.441 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
617 1 46 CYS H 1 104 VAL HA . . 4.410 3.428 3.019 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
618 1 46 CYS H 1 104 VAL MG2 . . 4.720 4.002 3.671 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
619 1 46 CYS H 1 104 VAL MG1 . . 5.500 5.364 4.994 5.753 0.253 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
620 1 46 CYS H 1 105 GLY H . . 6.000 5.240 4.713 5.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
621 1 47 ALA HA 1 48 TRP H . . 3.220 2.198 2.168 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
622 1 47 ALA HA 1 102 CYS HA . . 3.560 2.586 2.247 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
623 1 47 ALA HA 1 102 CYS H . . 5.140 5.096 4.718 5.465 0.325 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
624 1 47 ALA HA 1 103 GLN H . . 4.890 4.000 3.411 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
625 1 47 ALA H 1 47 ALA MB . . 3.520 2.583 2.410 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
626 1 47 ALA H 1 48 TRP H . . 5.500 4.312 4.106 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
627 1 47 ALA H 1 54 LEU HA . . 5.500 4.649 4.218 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
628 1 47 ALA H 1 54 LEU HG . . 5.360 4.655 3.566 5.555 0.195 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
629 1 47 ALA H 1 54 LEU MD2 . . 5.500 4.787 2.228 5.620 0.120 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
630 1 47 ALA H 1 54 LEU MD1 . . 4.460 3.353 2.046 4.813 0.353 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
631 1 47 ALA H 1 55 ALA H . . 3.940 3.004 2.387 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
632 1 47 ALA H 1 55 ALA MB . . 5.240 3.666 3.402 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
633 1 47 ALA H 1 56 CYS HA . . 4.010 3.555 3.302 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
634 1 47 ALA H 1 82 PHE QE . . 4.920 3.338 2.608 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
635 1 47 ALA MB 1 48 TRP H . . 3.490 3.076 2.885 3.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
636 1 47 ALA MB 1 49 VAL H . . 5.500 5.030 4.816 5.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
637 1 47 ALA MB 1 49 VAL QG . . 3.590 3.389 3.031 3.790 0.200 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
638 1 47 ALA MB 1 55 ALA H . . 4.480 3.810 3.588 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
639 1 47 ALA MB 1 82 PHE QE . . 3.760 2.474 2.140 3.058 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
640 1 47 ALA MB 1 84 GLY HA3 . . 4.920 4.472 4.063 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
641 1 47 ALA MB 1 95 VAL HA . . 5.500 4.403 4.054 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
642 1 47 ALA MB 1 95 VAL HB . . 4.310 2.839 2.244 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
643 1 47 ALA MB 1 95 VAL QG . . 3.000 1.357 1.025 1.863 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
644 1 47 ALA MB 1 102 CYS HA . . 3.590 3.427 3.000 3.799 0.209 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
645 1 47 ALA MB 1 102 CYS H . . 5.000 4.970 4.612 5.433 0.433 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
646 1 47 ALA MB 1 103 GLN H . . 5.450 4.604 4.204 5.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
647 1 48 TRP HA 1 49 VAL H . . 3.210 2.165 2.160 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
648 1 48 TRP HA 1 49 VAL QG . . 5.500 3.497 3.092 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
649 1 48 TRP HA 1 50 ASP H . . 5.380 3.912 3.733 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
650 1 48 TRP HA 1 54 LEU HA . . 3.790 2.212 2.027 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
651 1 48 TRP HA 1 54 LEU MD2 . . 4.140 4.105 2.113 4.553 0.413 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
652 1 48 TRP HA 1 54 LEU MD1 . . 4.310 3.936 2.229 4.393 0.083 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
653 1 48 TRP HE1 1 49 VAL HB . . 6.000 5.926 5.716 6.062 0.062 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
654 1 48 TRP HE1 1 49 VAL QG . . 5.000 4.599 4.443 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
655 1 48 TRP H 1 48 TRP QB . . 3.380 2.043 2.013 2.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
656 1 48 TRP H 1 49 VAL QG . . 6.000 4.708 4.371 5.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
657 1 48 TRP H 1 54 LEU MD1 . . 5.500 4.555 2.829 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
658 1 48 TRP H 1 102 CYS HA . . 3.500 3.961 3.408 4.363 0.863 28 22 "[ * .** 1 *. *** ** *+**** *. *4 -* ***]" 1
659 1 48 TRP QB 1 49 VAL H . . 4.680 3.750 3.658 3.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
660 1 48 TRP QB 1 50 ASP H . . 5.500 4.809 4.575 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
661 1 48 TRP QB 1 101 ALA MB . . 4.190 4.084 3.371 4.718 0.528 16 2 "[ . 1 .+ 2 . 3 . - 4 . ]" 1
662 1 49 VAL HA 1 49 VAL QG . . 3.220 2.152 1.959 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
663 1 49 VAL HB 1 50 ASP H . . 4.550 3.353 2.827 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
664 1 49 VAL HB 1 53 VAL QG . . 4.550 3.467 2.412 4.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
665 1 49 VAL H 1 49 VAL QG . . 3.230 2.107 1.678 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
666 1 49 VAL H 1 50 ASP HA . . 5.500 4.716 4.556 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
667 1 49 VAL H 1 53 VAL HB . . 5.500 4.541 3.861 5.653 0.153 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
668 1 49 VAL H 1 53 VAL H . . 5.500 4.520 4.389 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
669 1 49 VAL H 1 53 VAL QG . . 5.500 3.606 2.803 4.294 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
670 1 49 VAL H 1 54 LEU HA . . 4.590 1.988 1.781 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
671 1 49 VAL H 1 55 ALA H . . 5.150 3.480 3.100 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
672 1 49 VAL H 1 55 ALA MB . . 4.140 4.269 3.904 4.371 0.231 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
673 1 49 VAL QG 1 50 ASP H . . 4.330 1.886 1.703 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
674 1 49 VAL QG 1 55 ALA H . . 4.500 2.607 1.783 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
675 1 49 VAL QG 1 55 ALA MB . . 3.400 1.866 1.671 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
676 1 49 VAL QG 1 95 VAL QG . . 4.250 1.879 1.013 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
677 1 49 VAL QG 1 50 ASP HB2 . . 4.380 2.490 1.857 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
678 1 49 VAL QG 1 53 VAL HB . . 3.870 2.933 2.325 3.992 0.122 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
679 1 49 VAL QG 1 53 VAL H . . 5.240 4.206 3.920 4.710 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
680 1 49 VAL QG 1 53 VAL QG . . 3.240 1.913 1.539 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
681 1 50 ASP HB2 1 53 VAL HB . . 4.460 2.549 1.841 4.485 0.025 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
682 1 50 ASP HB2 1 53 VAL QG . . 4.010 2.328 1.531 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
683 1 50 ASP HB3 1 53 VAL H . . 5.500 3.685 3.442 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
684 1 50 ASP H 1 51 THR H . . 5.000 4.427 4.262 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
685 1 50 ASP H 1 53 VAL HB . . 4.400 2.930 2.210 4.634 0.234 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
686 1 50 ASP H 1 53 VAL H . . 5.430 3.304 3.197 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
687 1 50 ASP H 1 53 VAL QG . . 5.500 2.708 1.599 3.323 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
688 1 51 THR HA 1 51 THR MG . . 3.190 2.777 2.337 3.199 0.009 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
689 1 51 THR HA 1 52 GLY H . . 4.980 2.171 2.164 2.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
690 1 51 THR H 1 51 THR HA . . 3.030 2.813 2.710 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
691 1 52 GLY H 1 53 VAL H . . 4.410 2.542 2.252 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
692 1 53 VAL HA 1 53 VAL QG . . 3.280 2.144 1.897 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
693 1 53 VAL HA 1 54 LEU HB3 . . 4.770 4.494 4.186 5.579 0.809 6 6 "[ .+ 1 . * * 3 . 4 -* .* ]" 1
694 1 53 VAL HA 1 54 LEU H . . 3.090 2.175 2.162 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
695 1 53 VAL HB 1 54 LEU H . . 4.880 4.267 3.459 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
696 1 53 VAL H 1 53 VAL HB . . 3.710 2.848 2.415 3.978 0.268 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
697 1 53 VAL H 1 53 VAL QG . . 3.520 2.541 1.805 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
698 1 53 VAL QG 1 54 LEU H . . 3.690 2.939 2.612 3.414 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
699 1 53 VAL MG1 1 53 VAL MG2 . . 2.790 2.028 1.862 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
700 1 54 LEU HA 1 54 LEU MD2 . . 4.000 3.647 2.419 4.111 0.111 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
701 1 54 LEU HA 1 54 LEU MD1 . . 4.000 3.674 2.547 4.045 0.045 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
702 1 54 LEU HA 1 55 ALA H . . 3.020 2.295 2.186 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
703 1 54 LEU HB3 1 54 LEU MD2 . . 3.560 2.063 1.993 2.234 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
704 1 54 LEU HB3 1 55 ALA H . . 4.570 4.059 2.675 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
705 1 54 LEU HB2 1 54 LEU MD2 . . 3.160 2.958 2.472 3.171 0.011 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
706 1 54 LEU HB2 1 54 LEU MD1 . . 3.180 2.127 2.024 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
707 1 54 LEU HG 1 55 ALA H . . 4.110 3.669 2.862 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
708 1 54 LEU H 1 54 LEU HB3 . . 4.050 2.869 2.379 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
709 1 54 LEU H 1 54 LEU HB2 . . 3.610 3.610 2.238 3.879 0.269 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
710 1 54 LEU H 1 54 LEU HG . . 3.500 3.096 2.213 3.825 0.325 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
711 1 54 LEU H 1 54 LEU MD2 . . 5.500 2.867 1.871 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
712 1 54 LEU H 1 54 LEU MD1 . . 4.920 4.007 3.599 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
713 1 54 LEU H 1 55 ALA H . . 5.500 4.465 4.340 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
714 1 54 LEU MD1 1 54 LEU MD2 . . 2.400 1.971 1.834 2.063 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
715 1 54 LEU MD2 1 55 ALA H . . 4.550 4.194 1.980 4.606 0.056 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
716 1 54 LEU MD1 1 55 ALA H . . 4.310 3.565 1.784 4.541 0.231 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
717 1 55 ALA HA 1 56 CYS H . . 3.200 2.282 2.171 2.401 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
718 1 55 ALA HA 1 85 PHE H . . 4.950 3.684 3.200 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
719 1 55 ALA H 1 55 ALA MB . . 3.090 2.294 2.082 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
720 1 55 ALA MB 1 56 CYS H . . 3.590 2.895 2.635 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
721 1 55 ALA MB 1 82 PHE QE . . 4.140 3.890 3.107 4.350 0.210 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
722 1 55 ALA MB 1 84 GLY H . . 3.880 3.133 2.776 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
723 1 55 ALA MB 1 85 PHE H . . 4.460 2.709 2.273 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
724 1 55 ALA MB 1 86 LEU HB2 . . 6.000 4.071 3.652 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
725 1 55 ALA MB 1 93 GLY H . . 6.030 3.370 2.994 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
726 1 55 ALA MB 1 95 VAL QG . . 3.420 2.307 1.617 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
727 1 56 CYS HA 1 57 ASN H . . 3.410 2.328 2.230 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
728 1 56 CYS HA 1 82 PHE QE . . 5.000 4.007 3.234 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
729 1 56 CYS HB2 1 57 ASN H . . 4.050 4.056 3.835 4.159 0.109 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
730 1 56 CYS HB3 1 57 ASN H . . 3.560 2.797 2.493 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
731 1 56 CYS H 1 56 CYS HB2 . . 3.850 2.350 2.249 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
732 1 56 CYS H 1 57 ASN H . . 5.500 4.545 4.494 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
733 1 56 CYS H 1 82 PHE QE . . 6.000 5.552 4.603 6.100 0.100 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
734 1 56 CYS H 1 84 GLY HA2 . . 4.980 3.471 3.021 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
735 1 56 CYS H 1 85 PHE QB . . 5.500 2.683 2.427 3.424 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
736 1 56 CYS H 1 85 PHE H . . 3.800 2.187 1.661 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
737 1 56 CYS H 1 86 LEU MD1 . . 6.000 5.196 4.710 5.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
738 1 57 ASN HA 1 58 PRO HD2 . . 3.440 1.865 1.848 1.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
739 1 57 ASN HA 1 58 PRO HD3 . . 3.630 2.395 2.298 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
740 1 57 ASN HA 1 59 ALA H . . 5.500 3.262 3.206 3.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
741 1 57 ASN HB3 1 59 ALA H . . 4.550 3.868 3.661 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
742 1 57 ASN QD 1 60 ASP QB . . 3.870 2.690 1.898 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
743 1 57 ASN QD 1 60 ASP H . . 5.020 3.195 2.111 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
744 1 57 ASN QD 1 79 ARG HB3 . . 5.500 3.993 3.269 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
745 1 57 ASN QD 1 79 ARG HE . . 4.720 4.148 2.724 5.209 0.489 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
746 1 57 ASN H 1 57 ASN HB2 . . 3.810 3.195 2.891 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
747 1 57 ASN H 1 57 ASN HB3 . . 4.030 2.497 2.341 2.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
748 1 57 ASN H 1 58 PRO HD2 . . 5.500 4.634 4.580 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
749 1 57 ASN H 1 58 PRO HD3 . . 5.500 4.311 4.197 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
750 1 57 ASN H 1 82 PHE QD . . 6.310 4.637 4.145 5.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
751 1 57 ASN H 1 82 PHE QE . . 6.000 4.172 3.505 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
752 1 57 ASN H 1 85 PHE QR . . 6.000 5.676 4.541 5.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
753 1 58 PRO HB2 1 59 ALA H . . 4.920 4.092 4.072 4.122 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
754 1 58 PRO HB3 1 58 PRO HG3 . . 2.400 2.411 2.410 2.411 0.011 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
755 1 58 PRO HB3 1 59 ALA H . . 4.770 4.479 4.467 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
756 1 58 PRO HB3 1 58 PRO HD2 . . 4.380 3.814 3.813 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
757 1 58 PRO HD2 1 59 ALA H . . 4.140 2.833 2.806 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
758 1 58 PRO HD2 1 85 PHE QB . . 4.650 3.572 3.194 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
759 1 58 PRO HD2 1 85 PHE H . . 5.500 4.509 4.087 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
760 1 58 PRO HD2 1 85 PHE QD . . 3.690 2.918 2.400 3.885 0.195 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
761 1 58 PRO HD3 1 59 ALA H . . 4.920 3.894 3.878 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
762 1 58 PRO HD3 1 83 GLU QG . . 4.920 3.534 3.120 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
763 1 58 PRO HD3 1 85 PHE QB . . 4.550 2.424 2.093 2.721 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
764 1 58 PRO HD3 1 85 PHE H . . 4.920 3.982 3.597 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
765 1 58 PRO HD3 1 85 PHE QD . . 4.100 2.488 2.028 3.220 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
766 1 58 PRO HG3 1 59 ALA H . . 4.770 4.490 4.457 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
767 1 58 PRO HG3 1 61 PHE QD . . 4.920 5.265 4.954 5.598 0.678 42 3 "[ . 1 . 2 -. 3 . *4 + . ]" 1
768 1 58 PRO HG3 1 83 GLU HB2 . . 6.000 5.843 5.306 6.144 0.144 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
769 1 58 PRO HG2 1 59 ALA H . . 3.840 3.132 3.092 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
770 1 58 PRO HG2 1 61 PHE QD . . 4.920 5.115 4.836 5.617 0.697 39 5 "[ . * 1 . - 2 *. 3 . +4 * . ]" 1
771 1 58 PRO HG2 1 83 GLU QG . . 4.310 3.746 3.305 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
772 1 58 PRO HG2 1 85 PHE QB . . 4.770 5.040 4.459 5.385 0.615 40 3 "[ .* 1 . 2 . - 3 . + . ]" 1
773 1 59 ALA HA 1 60 ASP H . . 4.550 3.423 3.377 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
774 1 59 ALA HA 1 61 PHE H . . 5.230 3.978 3.871 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
775 1 59 ALA H 1 59 ALA MB . . 3.020 2.157 2.047 2.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
776 1 59 ALA H 1 60 ASP QB . . 4.940 4.499 4.164 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
777 1 59 ALA H 1 60 ASP H . . 4.420 2.290 2.224 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
778 1 59 ALA H 1 61 PHE H . . 5.010 4.002 3.725 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
779 1 59 ALA H 1 85 PHE QR . . 6.310 5.349 4.923 5.866 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
780 1 59 ALA MB 1 60 ASP HA . . 4.010 4.154 4.074 4.194 0.184 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
781 1 59 ALA MB 1 60 ASP H . . 3.900 3.134 2.942 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
782 1 59 ALA MB 1 61 PHE H . . 5.110 4.590 4.438 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
783 1 59 ALA MB 1 82 PHE H . . 7.030 6.951 6.308 7.551 0.521 25 1 "[ . 1 . 2 + 3 . 4 . ]" 1
784 1 60 ASP HA 1 61 PHE H . . 4.050 3.009 2.959 3.147 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
785 1 60 ASP QB 1 76 LEU HA . . 4.460 4.578 4.341 4.730 0.270 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
786 1 60 ASP QB 1 76 LEU QD . . 4.920 2.313 2.010 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
787 1 60 ASP QB 1 77 THR H . . 5.500 3.119 2.629 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
788 1 60 ASP QB 1 61 PHE H . . 5.000 3.915 3.662 4.058 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
789 1 60 ASP QB 1 77 THR HA . . 6.000 4.832 4.591 5.230 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
790 1 60 ASP H 1 61 PHE HA . . 4.920 4.360 4.256 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
791 1 60 ASP H 1 61 PHE H . . 3.460 2.326 2.019 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
792 1 61 PHE HA 1 61 PHE QD . . 3.490 2.647 1.703 3.312 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
793 1 61 PHE HA 1 62 SER H . . 3.070 2.175 2.163 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
794 1 61 PHE HA 1 76 LEU QD . . 4.140 3.440 2.705 4.234 0.094 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
795 1 61 PHE H 1 61 PHE QB . . 3.050 2.161 2.032 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
796 1 61 PHE H 1 62 SER H . . 4.880 4.387 4.316 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
797 1 61 PHE H 1 76 LEU QD . . 6.030 4.731 4.296 5.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
798 1 61 PHE QB 1 62 SER H . . 3.660 3.682 3.524 3.885 0.225 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
799 1 61 PHE QD 1 62 SER H . . 5.500 3.039 2.843 3.457 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
800 1 62 SER HA 1 63 SER H . . 3.690 2.600 2.499 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
801 1 62 SER HB2 1 63 SER H . . 4.460 3.624 2.985 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
802 1 62 SER HB2 1 74 THR MG . . 4.310 3.560 2.415 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
803 1 62 SER HB2 1 76 LEU HA . . 3.790 3.803 3.040 4.209 0.419 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
804 1 62 SER HB3 1 63 SER H . . 4.550 3.153 2.258 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
805 1 62 SER HB3 1 74 THR MG . . 3.790 2.748 2.286 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
806 1 62 SER HB3 1 76 LEU HA . . 3.710 4.154 3.888 4.401 0.691 25 13 "[* *. 1 . * 2* + 3 * ****- 4 *. *]" 1
807 1 62 SER H 1 62 SER HB2 . . 4.160 2.845 2.399 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
808 1 62 SER H 1 62 SER HB3 . . 4.130 2.682 2.297 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
809 1 62 SER H 1 63 SER H . . 5.500 4.492 4.412 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
810 1 62 SER H 1 77 THR MG . . 5.000 5.308 5.169 5.474 0.474 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
811 1 63 SER HA 1 64 VAL H . . 2.940 2.336 2.289 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
812 1 63 SER HA 1 64 VAL MG2 . . 5.500 5.384 5.359 5.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
813 1 63 SER HA 1 74 THR MG . . 4.380 4.742 4.501 5.071 0.691 18 5 "[ . 1 .* + 2 -. 3* . * 4 . ]" 1
814 1 63 SER H 1 63 SER QB . . 3.610 3.005 2.944 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
815 1 63 SER H 1 64 VAL HA . . 5.000 4.950 4.930 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
816 1 63 SER H 1 64 VAL HB . . 5.000 4.470 4.379 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
817 1 63 SER H 1 64 VAL H . . 5.500 4.407 4.385 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
818 1 63 SER H 1 64 VAL MG1 . . 4.380 4.453 4.269 4.566 0.186 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
819 1 64 VAL HA 1 64 VAL MG1 . . 3.670 3.197 3.181 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
820 1 64 VAL HA 1 65 THR H . . 2.980 2.368 2.312 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
821 1 64 VAL HB 1 74 THR MG . . 4.250 3.655 3.172 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
822 1 64 VAL H 1 64 VAL HB . . 4.000 3.557 3.515 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
823 1 64 VAL H 1 64 VAL MG2 . . 4.310 3.944 3.889 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
824 1 64 VAL H 1 64 VAL MG1 . . 3.340 2.519 2.383 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
825 1 64 VAL H 1 65 THR HA . . 4.460 4.572 4.554 4.580 0.120 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
826 1 64 VAL H 1 65 THR H . . 5.500 4.340 4.304 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
827 1 64 VAL H 1 65 THR MG . . 6.000 5.798 5.627 5.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
828 1 64 VAL H 1 72 ALA MB . . 5.500 5.486 5.178 5.724 0.224 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
829 1 64 VAL MG2 1 65 THR H . . 3.620 1.931 1.758 2.085 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
830 1 64 VAL MG2 1 73 SER HA . . 4.190 4.020 3.585 4.274 0.084 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
831 1 64 VAL MG2 1 73 SER H . . 4.310 2.140 1.974 2.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
832 1 64 VAL MG2 1 74 THR HB . . 4.310 3.033 2.653 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
833 1 64 VAL MG1 1 64 VAL MG2 . . 2.400 2.067 2.045 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
834 1 64 VAL MG1 1 65 THR H . . 3.680 3.668 3.587 3.737 0.057 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
835 1 64 VAL MG1 1 66 ALA H . . 5.500 4.774 4.423 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
836 1 64 VAL MG1 1 73 SER H . . 4.100 3.851 3.316 4.427 0.327 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
837 1 65 THR HA 1 65 THR MG . . 3.320 2.362 2.287 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
838 1 65 THR HA 1 66 ALA H . . 3.210 2.192 2.161 2.233 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
839 1 65 THR HA 1 66 ALA MB . . 4.250 3.936 3.883 3.976 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
840 1 65 THR HA 1 72 ALA MB . . 6.000 4.011 3.597 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
841 1 65 THR HB 1 66 ALA H . . 5.360 4.122 3.944 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
842 1 65 THR H 1 65 THR HB . . 3.430 2.700 2.581 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
843 1 65 THR H 1 65 THR MG . . 4.000 3.875 3.814 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
844 1 65 THR MG 1 66 ALA HA . . 5.000 4.132 3.881 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
845 1 65 THR MG 1 66 ALA H . . 3.810 2.357 2.102 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
846 1 65 THR MG 1 66 ALA MB . . 3.520 3.480 3.397 3.595 0.075 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
847 1 66 ALA HA 1 67 ASP H . . 3.180 2.252 2.168 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
848 1 66 ALA H 1 66 ALA MB . . 3.150 2.049 1.983 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
849 1 66 ALA H 1 67 ASP H . . 5.110 4.644 4.569 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
850 1 66 ALA H 1 72 ALA MB . . 3.070 3.379 3.039 3.465 0.395 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
851 1 66 ALA MB 1 67 ASP HB2 . . 6.030 5.600 5.501 5.767 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
852 1 66 ALA MB 1 67 ASP HB3 . . 5.500 5.094 4.927 5.312 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
853 1 66 ALA MB 1 67 ASP H . . 3.590 2.917 2.671 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
854 1 66 ALA MB 1 70 GLY HA3 . . 3.690 3.825 3.478 3.923 0.233 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
855 1 66 ALA MB 1 70 GLY H . . 6.000 3.620 3.423 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
856 1 66 ALA MB 1 71 SER H . . 6.030 3.426 2.926 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
857 1 67 ASP HA 1 68 ALA H . . 3.600 2.711 2.639 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
858 1 67 ASP HA 1 69 ASN H . . 5.500 4.274 4.062 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
859 1 67 ASP HB2 1 68 ALA H . . 3.510 1.996 1.930 2.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
860 1 67 ASP HB2 1 69 ASN H . . 5.500 3.015 2.718 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
861 1 67 ASP HB3 1 68 ALA H . . 3.740 3.555 3.516 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
862 1 67 ASP H 1 67 ASP HB2 . . 4.380 3.606 3.558 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
863 1 67 ASP H 1 67 ASP HB3 . . 3.790 2.690 2.558 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
864 1 67 ASP H 1 68 ALA H . . 5.500 4.484 4.409 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
865 1 67 ASP H 1 69 ASN H . . 5.500 4.263 4.100 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
866 1 67 ASP H 1 70 GLY H . . 4.880 3.744 3.346 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
867 1 67 ASP H 1 71 SER H . . 4.080 2.846 2.451 3.362 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
868 1 67 ASP H 1 72 ALA MB . . 5.160 3.975 3.620 4.269 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
869 1 68 ALA HA 1 69 ASN HA . . 4.770 4.736 4.689 4.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
870 1 68 ALA H 1 68 ALA MB . . 3.330 2.091 1.978 2.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
871 1 68 ALA H 1 69 ASN HA . . 4.980 5.233 5.186 5.270 0.290 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
872 1 68 ALA H 1 70 GLY H . . 5.500 4.035 3.942 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
873 1 68 ALA MB 1 69 ASN H . . 4.830 2.901 2.776 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
874 1 68 ALA MB 1 70 GLY H . . 4.070 4.206 4.150 4.300 0.230 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
875 1 68 ALA MB 1 71 SER H . . 6.000 5.781 5.648 5.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
876 1 69 ASN HA 1 71 SER H . . 5.500 4.545 4.099 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
877 1 69 ASN HB2 1 70 GLY H . . 4.920 3.835 3.535 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
878 1 69 ASN HB2 1 71 SER H . . 5.400 3.771 2.677 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
879 1 69 ASN HB3 1 70 GLY H . . 4.770 3.787 3.463 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
880 1 69 ASN HB3 1 71 SER H . . 4.720 3.151 2.510 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
881 1 69 ASN H 1 69 ASN HB2 . . 3.790 2.126 2.041 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
882 1 69 ASN H 1 69 ASN HB3 . . 3.790 3.180 2.762 3.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
883 1 69 ASN H 1 70 GLY HA3 . . 5.500 5.172 5.122 5.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
884 1 69 ASN H 1 70 GLY H . . 3.250 2.527 2.446 2.609 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
885 1 70 GLY HA2 1 71 SER H . . 4.910 3.057 2.950 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
886 1 70 GLY HA2 1 72 ALA MB . . 5.500 5.524 5.118 5.658 0.158 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
887 1 70 GLY H 1 71 SER H . . 3.320 2.536 2.362 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
888 1 70 GLY H 1 71 SER QB . . 4.770 4.731 4.455 4.978 0.208 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
889 1 71 SER HA 1 72 ALA H . . 3.150 2.208 2.182 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
890 1 71 SER H 1 71 SER QB . . 3.510 2.755 2.330 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
891 1 71 SER QB 1 72 ALA HA . . 4.310 4.461 4.163 4.550 0.240 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
892 1 71 SER QB 1 72 ALA H . . 3.860 3.279 2.926 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
893 1 71 SER QB 1 72 ALA MB . . 5.500 4.729 4.530 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
894 1 72 ALA HA 1 73 SER H . . 3.090 2.410 2.165 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
895 1 72 ALA H 1 73 SER H . . 5.500 4.476 4.134 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
896 1 72 ALA MB 1 73 SER H . . 3.780 2.534 2.297 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
897 1 73 SER HA 1 74 THR HB . . 5.100 4.100 3.985 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
898 1 73 SER HA 1 74 THR H . . 2.960 2.181 2.164 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
899 1 73 SER HA 1 74 THR MG . . 5.000 4.875 4.597 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
900 1 73 SER QB 1 74 THR H . . 3.840 3.300 2.944 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
901 1 73 SER H 1 74 THR HB . . 5.330 4.275 3.992 5.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
902 1 73 SER H 1 74 THR H . . 4.960 4.213 4.039 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
903 1 74 THR HA 1 74 THR MG . . 3.490 2.923 2.864 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
904 1 74 THR HB 1 75 SER H . . 4.840 4.086 3.856 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
905 1 74 THR H 1 74 THR MG . . 3.540 3.236 2.925 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
906 1 74 THR MG 1 75 SER HA . . 4.550 3.197 2.987 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
907 1 74 THR MG 1 75 SER H . . 4.050 2.064 1.802 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
908 1 75 SER HA 1 76 LEU H . . 3.060 2.177 2.161 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
909 1 75 SER H 1 76 LEU H . . 5.500 4.372 4.114 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
910 1 75 SER QB 1 76 LEU HA . . 4.050 4.304 4.176 4.399 0.349 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
911 1 75 SER QB 1 76 LEU H . . 4.050 3.312 3.025 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
912 1 76 LEU HA 1 76 LEU QD . . 3.300 2.128 1.581 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
913 1 76 LEU HB3 1 76 LEU QD . . 3.050 2.137 1.873 2.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
914 1 76 LEU HB3 1 78 VAL QG . . 5.500 4.436 4.014 4.883 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
915 1 76 LEU HB3 1 104 VAL MG2 . . 3.480 2.218 1.773 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
916 1 76 LEU HB2 1 76 LEU QD . . 2.480 2.188 1.870 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
917 1 76 LEU HB2 1 77 THR H . . 4.700 4.371 4.088 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
918 1 76 LEU HB2 1 104 VAL MG2 . . 3.520 3.042 2.716 4.033 0.513 29 1 "[ . 1 . 2 . +3 . 4 . ]" 1
919 1 76 LEU HG 1 77 THR H . . 6.000 3.884 2.046 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
920 1 76 LEU H 1 76 LEU HB3 . . 3.830 2.864 2.717 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
921 1 76 LEU H 1 76 LEU HG . . 5.000 4.615 4.284 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
922 1 76 LEU H 1 76 LEU QD . . 3.970 3.610 3.440 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
923 1 76 LEU H 1 78 VAL QG . . 6.000 5.636 5.124 6.058 0.058 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
924 1 76 LEU QD 1 78 VAL HA . . 6.000 3.538 3.338 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
925 1 76 LEU QD 1 77 THR HA . . 3.840 3.641 3.457 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
926 1 76 LEU QD 1 77 THR H . . 5.400 2.032 1.576 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
927 1 76 LEU QD 1 104 VAL HA . . 4.460 3.226 2.321 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
928 1 76 LEU QD 1 104 VAL H . . 6.030 4.566 3.896 5.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
929 1 77 THR HA 1 78 VAL HA . . 5.000 4.407 4.391 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
930 1 77 THR HA 1 78 VAL HB . . 5.000 4.650 4.093 5.241 0.241 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
931 1 77 THR HA 1 78 VAL H . . 3.630 2.202 2.159 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
932 1 77 THR HA 1 78 VAL QG . . 5.500 3.541 2.890 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
933 1 77 THR HA 1 79 ARG HE . . 6.000 4.933 4.444 5.770 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
934 1 77 THR HB 1 78 VAL H . . 5.500 3.969 3.537 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
935 1 77 THR H 1 77 THR HB . . 3.460 3.055 2.559 3.533 0.073 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
936 1 77 THR H 1 77 THR MG . . 3.770 1.689 1.573 1.872 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
937 1 77 THR H 1 78 VAL HA . . 5.500 5.194 4.805 5.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
938 1 77 THR H 1 78 VAL H . . 5.500 4.544 4.396 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
939 1 77 THR H 1 78 VAL QG . . 6.030 5.009 4.527 5.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
940 1 77 THR MG 1 78 VAL H . . 4.320 4.184 3.781 4.377 0.057 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
941 1 77 THR MG 1 79 ARG HE . . 4.950 2.577 1.804 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
942 1 78 VAL HA 1 119 ILE MD . . 4.550 4.268 3.802 4.834 0.284 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
943 1 78 VAL HA 1 79 ARG HE . . 5.500 5.264 4.663 5.574 0.074 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
944 1 78 VAL HA 1 79 ARG H . . 3.290 2.176 2.164 2.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
945 1 78 VAL HB 1 79 ARG H . . 5.000 4.144 3.712 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
946 1 78 VAL H 1 78 VAL HB . . 3.690 2.861 2.052 3.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
947 1 78 VAL H 1 78 VAL QG . . 3.270 2.276 1.690 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
948 1 78 VAL QG 1 79 ARG H . . 4.870 2.698 2.457 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
949 1 78 VAL MG1 1 78 VAL MG2 . . 2.840 2.039 1.914 2.079 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
950 1 78 VAL QG 1 79 ARG HG2 . . 7.030 5.381 4.055 5.696 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
951 1 79 ARG HA 1 79 ARG QD . . 3.740 2.010 1.846 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
952 1 79 ARG HA 1 79 ARG HE . . 5.500 4.644 3.729 5.207 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
953 1 79 ARG HA 1 81 SER H . . 4.920 3.909 3.616 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
954 1 79 ARG HB2 1 79 ARG QD . . 3.900 2.592 2.257 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
955 1 79 ARG HB2 1 79 ARG HE . . 5.210 4.327 4.065 5.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
956 1 79 ARG HB2 1 81 SER H . . 4.770 3.826 2.333 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
957 1 79 ARG HB3 1 79 ARG HE . . 5.160 4.983 3.730 5.173 0.013 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
958 1 79 ARG HB3 1 81 SER H . . 4.920 2.468 2.064 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
959 1 79 ARG QD 1 82 PHE QE . . 5.000 4.423 4.084 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
960 1 79 ARG QD 1 81 SER H . . 5.500 5.002 4.221 5.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
961 1 79 ARG HE 1 79 ARG HG2 . . 4.250 2.952 2.548 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
962 1 79 ARG HE 1 79 ARG HG3 . . 4.380 3.543 2.307 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
963 1 79 ARG H 1 119 ILE MD . . 6.000 5.011 4.429 5.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
964 1 79 ARG H 1 79 ARG HB3 . . 4.060 3.559 3.445 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
965 1 79 ARG H 1 79 ARG QD . . 5.500 2.721 2.485 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
966 1 79 ARG H 1 79 ARG HG2 . . 4.310 4.051 1.906 4.556 0.246 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
967 1 79 ARG H 1 79 ARG HG3 . . 4.550 4.408 3.558 4.625 0.075 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
968 1 79 ARG H 1 82 PHE QD . . 5.110 3.859 3.287 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
969 1 79 ARG H 1 82 PHE QE . . 4.970 2.775 2.326 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
970 1 80 ARG H 1 81 SER H . . 4.120 2.351 2.029 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
971 1 81 SER HA 1 82 PHE H . . 3.080 2.303 2.240 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
972 1 81 SER HA 1 97 CYS H . . 4.010 2.512 2.084 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
973 1 81 SER H 1 82 PHE H . . 5.500 4.302 4.210 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
974 1 81 SER H 1 82 PHE QD . . 5.500 3.361 2.876 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
975 1 81 SER QB 1 82 PHE H . . 3.690 3.031 2.493 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
976 1 81 SER QB 1 94 THR MG . . 4.140 2.936 2.228 3.840 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
977 1 81 SER QB 1 96 ASP HA . . 4.920 2.661 2.016 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
978 1 81 SER QB 1 97 CYS H . . 4.650 3.647 2.741 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
979 1 82 PHE HA 1 83 GLU H . . 3.230 2.395 2.287 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
980 1 82 PHE H 1 82 PHE QD . . 4.130 3.377 2.893 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
981 1 82 PHE H 1 83 GLU H . . 5.500 4.321 4.238 4.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
982 1 82 PHE H 1 84 GLY H . . 6.000 5.218 4.907 5.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
983 1 82 PHE H 1 94 THR HA . . 5.060 3.752 3.312 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
984 1 82 PHE H 1 94 THR MG . . 4.390 2.937 2.484 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
985 1 82 PHE H 1 95 VAL HB . . 5.000 4.118 2.853 5.091 0.091 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
986 1 82 PHE H 1 95 VAL H . . 3.850 2.722 2.247 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
987 1 82 PHE H 1 95 VAL QG . . 5.500 3.024 2.184 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
988 1 82 PHE H 1 96 ASP HA . . 4.950 4.219 4.060 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
989 1 82 PHE H 1 97 CYS H . . 5.500 4.454 4.034 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
990 1 82 PHE QD 1 83 GLU H . . 4.510 3.751 3.416 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
991 1 82 PHE QD 1 84 GLY H . . 5.500 4.213 3.834 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
992 1 82 PHE QD 1 85 PHE H . . 6.000 4.423 3.986 4.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
993 1 82 PHE QE 1 84 GLY H . . 5.500 5.518 5.134 5.634 0.134 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
994 1 82 PHE QE 1 85 PHE H . . 5.500 4.920 4.123 5.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
995 1 82 PHE QE 1 95 VAL H . . 5.500 4.951 4.520 5.614 0.114 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
996 1 82 PHE QE 1 95 VAL QG . . 3.560 2.678 1.976 3.573 0.013 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
997 1 83 GLU HA 1 83 GLU QG . . 3.840 3.319 3.294 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
998 1 83 GLU HA 1 84 GLY H . . 3.300 2.168 2.164 2.181 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
999 1 83 GLU HA 1 94 THR MG . . 4.460 3.206 2.965 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1000 1 83 GLU HB2 1 83 GLU QG . . 2.450 2.182 2.166 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1001 1 83 GLU HB2 1 84 GLY H . . 4.340 3.584 3.383 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1002 1 83 GLU HB2 1 93 GLY H . . 5.500 4.618 4.177 5.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1003 1 83 GLU HB2 1 94 THR H . . 6.000 5.579 5.230 5.880 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1004 1 83 GLU HB2 1 94 THR MG . . 4.650 5.070 5.041 5.133 0.483 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1005 1 83 GLU HB3 1 83 GLU QG . . 2.720 2.544 2.423 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1006 1 83 GLU HB3 1 94 THR H . . 5.000 5.298 4.925 5.450 0.450 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1007 1 83 GLU HB3 1 94 THR MG . . 4.920 3.996 3.842 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1008 1 83 GLU H 1 83 GLU HB2 . . 3.500 3.560 3.531 3.572 0.072 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1009 1 83 GLU H 1 83 GLU HB3 . . 4.110 2.614 2.386 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1010 1 83 GLU H 1 83 GLU HG3 . . 3.230 3.519 3.321 3.818 0.588 45 1 "[ . 1 . 2 . 3 . 4 + ]" 1
1011 1 83 GLU H 1 84 GLY H . . 4.840 4.514 4.429 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1012 1 84 GLY HA2 1 85 PHE H . . 3.520 2.259 2.207 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1013 1 84 GLY HA3 1 93 GLY H . . 5.230 3.274 2.872 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1014 1 84 GLY H 1 85 PHE H . . 5.270 4.233 4.095 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1015 1 84 GLY H 1 86 LEU H . . 6.000 6.144 6.061 6.228 0.228 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1016 1 84 GLY H 1 92 TRP H . . 4.770 4.755 4.639 4.839 0.069 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1017 1 84 GLY H 1 93 GLY H . . 4.440 2.745 2.558 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1018 1 84 GLY H 1 94 THR H . . 5.500 4.223 3.939 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1019 1 84 GLY H 1 95 VAL HB . . 5.500 4.347 3.401 5.595 0.095 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1020 1 84 GLY H 1 95 VAL QG . . 4.460 2.924 2.123 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1021 1 85 PHE HA 1 85 PHE QR . . 4.310 2.744 2.309 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1022 1 85 PHE HA 1 86 LEU HB3 . . 5.360 4.255 4.222 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1023 1 85 PHE HA 1 86 LEU HG . . 6.000 5.937 5.869 6.028 0.028 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1024 1 85 PHE HA 1 86 LEU H . . 3.170 2.215 2.197 2.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1025 1 85 PHE HA 1 92 TRP H . . 3.890 3.149 2.791 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1026 1 85 PHE HA 1 93 GLY H . . 5.500 4.800 4.518 5.061 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1027 1 85 PHE QB 1 86 LEU H . . 4.050 3.826 3.782 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1028 1 85 PHE H 1 85 PHE QB . . 3.900 2.052 2.042 2.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1029 1 85 PHE H 1 85 PHE QR . . 4.130 3.452 3.037 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1030 1 85 PHE H 1 86 LEU HA . . 6.000 5.191 5.166 5.220 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1031 1 85 PHE QR 1 86 LEU H . . 5.110 3.831 2.927 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1032 1 85 PHE QR 1 91 ARG H . . 5.220 4.529 2.774 5.332 0.112 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1033 1 85 PHE QR 1 92 TRP H . . 5.020 4.846 4.252 5.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1034 1 86 LEU HA 1 86 LEU HG . . 4.310 3.360 3.336 3.376 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1035 1 86 LEU HA 1 86 LEU MD2 . . 4.100 3.939 3.899 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1036 1 86 LEU HA 1 86 LEU MD1 . . 2.920 2.254 2.056 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1037 1 86 LEU HA 1 87 PHE H . . 3.180 2.206 2.178 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1038 1 86 LEU HA 1 88 ASP H . . 5.500 3.997 3.833 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1039 1 86 LEU HB3 1 86 LEU MD2 . . 3.330 2.238 2.192 2.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1040 1 86 LEU HB3 1 87 PHE H . . 6.000 4.367 4.251 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1041 1 86 LEU HB3 1 88 ASP H . . 4.270 4.104 4.065 4.139 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1042 1 86 LEU HB3 1 89 GLY H . . 5.500 3.669 3.545 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1043 1 86 LEU HB3 1 90 THR HA . . 4.380 4.252 4.195 4.304 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1044 1 86 LEU HB3 1 90 THR H . . 4.480 2.348 2.245 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1045 1 86 LEU HB2 1 86 LEU MD2 . . 3.010 2.393 2.343 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1046 1 86 LEU HB2 1 86 LEU MD1 . . 3.220 2.302 2.163 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1047 1 86 LEU HB2 1 88 ASP H . . 4.770 4.260 4.198 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1048 1 86 LEU HB2 1 90 THR HA . . 6.000 5.959 5.874 6.031 0.031 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1049 1 86 LEU HG 1 88 ASP HA . . 4.920 3.780 3.732 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1050 1 86 LEU HG 1 88 ASP H . . 5.190 1.663 1.600 1.705 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1051 1 86 LEU HG 1 90 THR HA . . 5.500 5.301 5.221 5.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1052 1 86 LEU HG 1 92 TRP H . . 6.000 6.182 6.113 6.260 0.260 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1053 1 86 LEU H 1 86 LEU HB3 . . 3.730 2.159 2.136 2.207 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1054 1 86 LEU H 1 86 LEU HB2 . . 3.870 2.890 2.823 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1055 1 86 LEU H 1 86 LEU HG . . 4.000 4.075 4.037 4.151 0.151 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1056 1 86 LEU H 1 86 LEU MD2 . . 4.380 4.099 4.060 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1057 1 86 LEU H 1 86 LEU MD1 . . 4.310 4.181 4.138 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1058 1 86 LEU H 1 87 PHE H . . 5.500 4.633 4.598 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1059 1 86 LEU H 1 89 GLY H . . 5.500 4.453 4.289 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1060 1 86 LEU H 1 90 THR HA . . 4.980 4.968 4.867 5.061 0.081 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1061 1 86 LEU H 1 90 THR H . . 5.420 3.442 3.319 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1062 1 86 LEU H 1 92 TRP H . . 5.150 2.647 2.520 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1063 1 86 LEU MD2 1 88 ASP HA . . 4.380 4.055 4.006 4.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1064 1 86 LEU MD2 1 88 ASP H . . 5.500 2.936 2.799 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1065 1 86 LEU MD2 1 90 THR HA . . 4.550 4.327 4.276 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1066 1 86 LEU MD2 1 90 THR HB . . 3.510 1.821 1.764 1.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1067 1 86 LEU MD2 1 90 THR H . . 5.500 2.935 2.839 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1068 1 86 LEU MD1 1 86 LEU MD2 . . 2.900 1.975 1.885 2.042 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1069 1 86 LEU MD1 1 87 PHE H . . 4.520 1.671 1.563 1.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1070 1 86 LEU MD1 1 88 ASP HA . . 4.550 3.980 3.801 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1071 1 86 LEU MD1 1 90 THR HB . . 4.250 4.192 4.146 4.281 0.031 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1072 1 87 PHE HB2 1 88 ASP H . . 6.000 3.230 2.747 4.058 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1073 1 87 PHE HB3 1 88 ASP H . . 4.300 3.472 3.081 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1074 1 87 PHE H 1 87 PHE HB2 . . 4.140 2.617 2.092 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1075 1 87 PHE H 1 87 PHE HB3 . . 3.680 3.107 2.175 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1076 1 87 PHE H 1 87 PHE QD . . 4.340 2.539 2.198 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1077 1 87 PHE H 1 87 PHE QE . . 4.770 4.627 3.931 4.867 0.097 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1078 1 87 PHE H 1 88 ASP HB3 . . 5.500 5.671 5.465 6.413 0.913 19 4 "[ . 1* .- +2 . 3 . 4 *. ]" 1
1079 1 87 PHE H 1 88 ASP H . . 4.400 2.857 2.824 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1080 1 88 ASP HA 1 89 GLY H . . 4.190 3.453 3.448 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1081 1 88 ASP HB2 1 89 GLY H . . 4.250 3.778 3.192 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1082 1 88 ASP HB3 1 89 GLY H . . 5.500 3.397 3.252 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1083 1 88 ASP H 1 88 ASP HB3 . . 3.790 3.046 2.882 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1084 1 88 ASP H 1 89 GLY HA3 . . 5.500 5.335 5.322 5.344 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1085 1 88 ASP H 1 89 GLY H . . 3.670 2.691 2.676 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1086 1 88 ASP H 1 90 THR H . . 4.790 3.890 3.853 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1087 1 89 GLY H 1 90 THR HA . . 5.500 4.895 4.869 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1088 1 89 GLY H 1 90 THR HB . . 4.650 4.175 4.081 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1089 1 89 GLY H 1 90 THR H . . 3.620 2.145 2.112 2.189 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1090 1 90 THR HA 1 90 THR MG . . 3.190 2.550 2.404 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1091 1 90 THR HA 1 91 ARG H . . 3.160 2.242 2.160 2.316 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1092 1 90 THR H 1 90 THR MG . . 4.190 3.636 3.487 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1093 1 90 THR H 1 91 ARG H . . 5.500 4.494 4.257 4.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1094 1 90 THR MG 1 91 ARG H . . 3.830 2.251 1.782 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1095 1 92 TRP HB2 1 93 GLY H . . 3.990 3.437 2.801 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1096 1 92 TRP HB3 1 93 GLY H . . 3.690 2.358 2.162 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1097 1 92 TRP H 1 92 TRP HB2 . . 4.060 2.236 1.996 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1098 1 92 TRP H 1 92 TRP HB3 . . 3.880 2.781 2.109 3.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1099 1 92 TRP H 1 93 GLY H . . 3.580 2.781 2.639 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1100 1 93 GLY HA2 1 94 THR H . . 3.600 2.488 2.346 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1101 1 93 GLY HA3 1 94 THR H . . 3.840 2.736 2.603 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1102 1 93 GLY HA3 1 94 THR MG . . 5.500 5.666 5.476 5.785 0.285 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1103 1 93 GLY H 1 94 THR H . . 4.500 4.351 4.237 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1104 1 93 GLY H 1 95 VAL QG . . 5.500 4.192 3.502 5.236 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1105 1 94 THR HA 1 94 THR MG . . 3.240 2.117 1.999 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1106 1 94 THR HA 1 95 VAL H . . 3.210 2.186 2.162 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1107 1 94 THR HA 1 95 VAL QG . . 4.140 3.667 2.966 4.159 0.019 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1108 1 94 THR H 1 94 THR HB . . 3.470 2.941 2.802 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1109 1 94 THR H 1 94 THR MG . . 4.520 3.570 3.413 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1110 1 94 THR H 1 95 VAL H . . 5.260 4.468 4.361 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1111 1 94 THR MG 1 95 VAL H . . 3.450 3.132 2.498 3.339 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1112 1 94 THR MG 1 96 ASP H . . 6.000 5.554 5.242 5.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1113 1 95 VAL HA 1 96 ASP H . . 3.020 2.303 2.229 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1114 1 95 VAL HB 1 96 ASP H . . 4.000 3.752 2.726 4.125 0.125 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1115 1 95 VAL HB 1 97 CYS H . . 6.000 5.276 4.496 6.205 0.205 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1116 1 95 VAL H 1 95 VAL HB . . 3.470 2.774 2.147 3.632 0.162 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1117 1 95 VAL H 1 95 VAL QG . . 3.490 2.291 1.768 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1118 1 95 VAL QG 1 96 ASP H . . 3.610 2.291 1.851 3.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1119 1 95 VAL QG 1 97 CYS H . . 4.770 3.135 2.771 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1120 1 95 VAL QG 1 100 ALA MB . . 4.770 3.280 2.602 4.402 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1121 1 95 VAL MG1 1 95 VAL MG2 . . 2.550 2.031 1.891 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1122 1 95 VAL QG 1 97 CYS HA . . 4.550 3.470 3.203 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1123 1 96 ASP HA 1 97 CYS H . . 4.100 2.243 2.178 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1124 1 96 ASP HB2 1 97 CYS H . . 5.100 4.654 4.540 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1125 1 96 ASP HB2 1 99 THR H . . 5.500 3.868 3.486 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1126 1 96 ASP HB3 1 97 CYS H . . 4.920 4.044 3.908 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1127 1 96 ASP HB3 1 99 THR H . . 5.500 2.778 2.541 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1128 1 96 ASP H 1 96 ASP HB2 . . 3.700 2.322 2.154 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1129 1 96 ASP H 1 96 ASP HB3 . . 3.840 3.492 3.390 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1130 1 96 ASP H 1 97 CYS H . . 5.500 4.028 3.875 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1131 1 96 ASP H 1 98 THR H . . 5.000 5.156 5.077 5.214 0.214 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1132 1 96 ASP H 1 99 THR HB . . 4.650 3.541 3.252 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1133 1 96 ASP H 1 100 ALA MB . . 6.000 4.119 3.558 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1134 1 97 CYS HA 1 98 THR MG . . 5.000 4.794 4.556 5.114 0.114 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1135 1 97 CYS HA 1 99 THR H . . 4.510 3.464 3.384 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1136 1 97 CYS HA 1 100 ALA H . . 4.040 3.112 2.936 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1137 1 97 CYS HB2 1 121 PHE QR . . 3.940 3.311 2.649 4.213 0.273 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1138 1 97 CYS HB2 1 98 THR H . . 5.500 3.175 2.885 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1139 1 97 CYS HB3 1 121 PHE QR . . 3.790 2.477 1.552 3.087 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1140 1 97 CYS HB3 1 98 THR H . . 5.500 3.632 3.143 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1141 1 97 CYS H 1 97 CYS HB2 . . 4.010 2.190 1.996 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1142 1 97 CYS H 1 97 CYS HB3 . . 3.550 3.446 3.018 3.571 0.021 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1143 1 97 CYS H 1 98 THR HA . . 5.500 5.336 5.308 5.368 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1144 1 97 CYS H 1 98 THR MG . . 5.080 4.089 3.678 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1145 1 97 CYS H 1 99 THR HB . . 5.000 5.157 5.088 5.231 0.231 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1146 1 97 CYS H 1 100 ALA H . . 5.500 4.788 4.602 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1147 1 98 THR HA 1 121 PHE H . . 5.040 4.872 3.855 5.659 0.619 5 3 "[ + - 1 . 2 . 3 . * . ]" 1
1148 1 98 THR H 1 98 THR HB . . 4.380 3.515 2.645 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1149 1 98 THR H 1 98 THR MG . . 3.780 2.303 1.731 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1150 1 98 THR H 1 99 THR H . . 3.560 2.510 2.395 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1151 1 98 THR H 1 100 ALA H . . 4.800 4.016 3.947 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1152 1 98 THR MG 1 121 PHE QB . . 4.380 3.050 2.073 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1153 1 98 THR MG 1 121 PHE H . . 6.000 5.840 4.720 6.626 0.626 29 2 "[ - 1 . 2 . +3 . 4 . ]" 1
1154 1 99 THR HB 1 100 ALA H . . 4.700 3.061 2.977 3.189 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1155 1 99 THR H 1 99 THR HB . . 4.170 2.386 2.323 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1156 1 99 THR H 1 99 THR MG . . 3.880 3.611 3.405 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1157 1 99 THR H 1 100 ALA H . . 3.190 1.873 1.830 1.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1158 1 100 ALA HA 1 101 ALA H . . 3.030 2.643 2.487 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1159 1 100 ALA HA 1 102 CYS H . . 6.000 6.131 6.058 6.316 0.316 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1160 1 100 ALA H 1 100 ALA MB . . 3.290 2.471 2.351 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1161 1 100 ALA H 1 101 ALA HA . . 5.500 4.891 4.784 5.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1162 1 100 ALA MB 1 101 ALA H . . 3.450 2.054 1.863 2.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1163 1 100 ALA MB 1 102 CYS HA . . 5.500 4.901 4.796 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1164 1 100 ALA MB 1 102 CYS H . . 6.000 4.975 4.837 5.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1165 1 101 ALA HA 1 102 CYS H . . 3.110 2.171 2.164 2.216 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1166 1 101 ALA H 1 101 ALA MB . . 3.070 2.260 2.119 2.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1167 1 101 ALA H 1 102 CYS HA . . 4.920 5.095 5.002 5.197 0.277 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1168 1 101 ALA H 1 102 CYS H . . 5.500 4.488 4.430 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1169 1 101 ALA MB 1 102 CYS H . . 4.050 3.196 3.022 3.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1170 1 102 CYS HA 1 119 ILE MD . . 4.920 3.803 2.787 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1171 1 102 CYS HA 1 103 GLN HB3 . . 4.650 4.013 3.841 5.551 0.901 12 1 "[ . 1 + . 2 . 3 . 4 . ]" 1
1172 1 102 CYS HA 1 103 GLN H . . 3.160 2.374 2.311 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1173 1 102 CYS HB2 1 119 ILE QG . . 4.550 3.483 2.413 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1174 1 102 CYS HB2 1 119 ILE MD . . 3.900 2.295 0.846 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1175 1 102 CYS HB2 1 103 GLN H . . 4.190 3.689 2.947 4.238 0.048 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1176 1 102 CYS HB3 1 119 ILE MD . . 3.900 2.558 0.986 3.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1177 1 102 CYS HB3 1 121 PHE QR . . 4.100 3.236 1.965 4.184 0.084 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1178 1 102 CYS HB3 1 103 GLN H . . 3.630 2.711 2.277 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1179 1 102 CYS H 1 102 CYS HB2 . . 3.690 2.543 2.215 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1180 1 102 CYS H 1 102 CYS HB3 . . 4.100 3.622 2.958 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1181 1 102 CYS H 1 103 GLN H . . 4.710 4.568 4.528 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1182 1 103 GLN HA 1 117 VAL H . . 5.500 5.393 4.901 5.709 0.209 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1183 1 103 GLN HA 1 117 VAL MG1 . . 4.770 3.184 2.378 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1184 1 103 GLN HA 1 118 ALA HA . . 3.760 3.392 2.663 4.025 0.265 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1185 1 103 GLN HA 1 119 ILE H . . 3.970 2.902 2.462 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1186 1 103 GLN HA 1 103 GLN QG . . 3.570 3.069 2.102 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1187 1 103 GLN HA 1 104 VAL H . . 3.280 2.264 2.169 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1188 1 103 GLN HB3 1 117 VAL H . . 5.190 5.248 3.515 5.559 0.369 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1189 1 103 GLN HB3 1 119 ILE H . . 5.040 3.249 2.799 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1190 1 103 GLN HB3 1 103 GLN QG . . 2.690 2.469 2.189 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1191 1 103 GLN HB3 1 104 VAL H . . 4.140 4.264 2.764 4.397 0.257 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1192 1 103 GLN HB2 1 117 VAL H . . 6.000 4.015 3.519 5.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1193 1 103 GLN HB2 1 118 ALA H . . 6.000 4.105 3.505 6.441 0.441 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1194 1 103 GLN HB2 1 119 ILE H . . 5.500 3.001 2.437 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1195 1 103 GLN HB2 1 104 VAL H . . 4.150 3.288 3.004 4.274 0.124 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1196 1 103 GLN QG 1 118 ALA HA . . 4.770 3.696 1.477 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1197 1 103 GLN QG 1 119 ILE H . . 6.000 4.588 1.492 5.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1198 1 103 GLN QG 1 104 VAL H . . 3.760 2.992 2.177 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1199 1 103 GLN QG 1 117 VAL H . . 4.460 3.055 2.161 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1200 1 103 GLN H 1 119 ILE QG . . 6.000 3.182 2.460 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1201 1 103 GLN H 1 119 ILE MD . . 4.010 2.895 2.339 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1202 1 103 GLN H 1 103 GLN HB3 . . 4.250 2.975 2.842 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1203 1 103 GLN H 1 103 GLN HB2 . . 4.040 3.889 2.703 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1204 1 103 GLN H 1 103 GLN QG . . 4.250 3.001 2.702 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1205 1 103 GLN H 1 104 VAL H . . 5.500 4.325 4.022 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1206 1 103 GLN H 1 104 VAL MG2 . . 5.160 4.445 3.478 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1207 1 104 VAL HA 1 104 VAL MG2 . . 2.930 2.128 1.997 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1208 1 104 VAL HA 1 104 VAL MG1 . . 3.340 2.561 2.426 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1209 1 104 VAL HA 1 105 GLY H . . 3.130 2.402 2.284 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1210 1 104 VAL HB 1 117 VAL H . . 5.160 5.735 5.160 6.148 0.988 40 33 "[ * ******** ** - *****.** ** ***. * *+***** *]" 1
1211 1 104 VAL HB 1 117 VAL MG1 . . 3.790 2.584 1.727 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1212 1 104 VAL HB 1 105 GLY HA2 . . 4.770 4.868 4.683 5.046 0.276 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1213 1 104 VAL HB 1 105 GLY H . . 5.140 3.930 3.816 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1214 1 104 VAL H 1 118 ALA HA . . 4.950 4.629 4.167 5.233 0.283 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1215 1 104 VAL H 1 119 ILE QG . . 6.000 2.825 2.516 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1216 1 104 VAL H 1 119 ILE H . . 5.350 4.846 4.356 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1217 1 104 VAL H 1 119 ILE MD . . 4.770 2.928 2.165 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1218 1 104 VAL H 1 104 VAL HB . . 3.560 2.312 2.215 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1219 1 104 VAL H 1 104 VAL MG2 . . 3.650 3.016 2.795 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1220 1 104 VAL H 1 104 VAL MG1 . . 3.500 3.618 3.554 3.749 0.249 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1221 1 104 VAL H 1 105 GLY H . . 5.300 4.567 4.511 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1222 1 104 VAL MG2 1 117 VAL H . . 6.030 6.412 5.912 6.759 0.729 42 10 "[ . 1 . 2 - *. 3 ** . **+**. *]" 1
1223 1 104 VAL MG2 1 105 GLY H . . 4.060 3.427 3.253 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1224 1 104 VAL MG1 1 104 VAL MG2 . . 2.400 2.055 1.973 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1225 1 104 VAL MG1 1 105 GLY H . . 3.640 1.823 1.738 2.116 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1226 1 105 GLY HA3 1 106 LEU H . . 3.600 2.767 2.602 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1227 1 105 GLY HA3 1 106 LEU QD . . 4.250 4.045 3.740 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1228 1 105 GLY HA2 1 117 VAL H . . 5.000 4.615 4.016 5.306 0.306 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1229 1 105 GLY HA2 1 106 LEU H . . 3.510 2.456 2.363 2.607 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1230 1 105 GLY HA2 1 106 LEU QD . . 5.500 2.941 2.678 3.063 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1231 1 105 GLY H 1 106 LEU H . . 5.270 4.360 4.322 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1232 1 106 LEU HA 1 113 GLY QA . . 6.000 5.215 4.230 5.904 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1233 1 106 LEU HA 1 106 LEU HG . . 3.520 3.348 2.082 3.560 0.040 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1234 1 106 LEU HA 1 106 LEU QD . . 4.190 3.335 2.675 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1235 1 106 LEU HA 1 107 SER H . . 3.270 2.233 2.163 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1236 1 106 LEU HB2 1 106 LEU HG . . 2.690 2.795 2.701 3.029 0.339 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1237 1 106 LEU HB2 1 107 SER H . . 4.630 3.297 2.591 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1238 1 106 LEU HB3 1 106 LEU HG . . 2.980 2.919 2.610 2.994 0.014 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1239 1 106 LEU HB3 1 107 SER H . . 5.500 4.009 2.516 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1240 1 106 LEU HG 1 112 ASN QD . . 6.000 5.723 4.957 6.155 0.155 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1241 1 106 LEU HG 1 113 GLY QA . . 4.650 3.076 2.579 4.977 0.327 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1242 1 106 LEU H 1 117 VAL HB . . 6.000 6.102 5.974 6.242 0.242 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1243 1 106 LEU H 1 106 LEU HB3 . . 4.150 3.198 3.049 3.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1244 1 106 LEU H 1 106 LEU HG . . 4.770 2.528 2.155 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1245 1 106 LEU H 1 106 LEU QD . . 3.970 2.193 1.938 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1246 1 106 LEU H 1 107 SER H . . 5.500 4.393 4.245 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1247 1 106 LEU QD 1 117 VAL HB . . 5.500 5.515 5.209 5.740 0.240 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1248 1 106 LEU QD 1 117 VAL H . . 6.000 6.198 5.897 6.478 0.478 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1249 1 106 LEU QD 1 113 GLY QA . . 4.650 2.967 2.723 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1250 1 107 SER HA 1 113 GLY QA . . 4.770 3.601 3.108 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1251 1 107 SER HA 1 108 ASP H . . 3.220 2.285 2.162 2.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1252 1 107 SER QB 1 108 ASP HA . . 4.770 4.334 4.177 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1253 1 107 SER QB 1 108 ASP H . . 4.250 2.914 2.544 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1254 1 107 SER H 1 108 ASP H . . 5.500 4.454 3.909 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1255 1 108 ASP HA 1 109 ALA H . . 3.580 2.827 2.726 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1256 1 108 ASP HA 1 112 ASN QD . . 4.900 4.327 3.957 4.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1257 1 108 ASP HB2 1 109 ALA H . . 3.330 2.237 1.944 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1258 1 108 ASP HB2 1 110 ALA H . . 5.210 3.943 3.265 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1259 1 108 ASP HB3 1 109 ALA H . . 3.830 3.585 3.513 3.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1260 1 108 ASP H 1 109 ALA H . . 5.500 4.326 4.250 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1261 1 108 ASP H 1 111 GLY H . . 5.320 2.859 2.149 3.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1262 1 108 ASP H 1 112 ASN QD . . 6.000 2.970 2.028 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1263 1 108 ASP H 1 112 ASN H . . 4.270 2.109 1.964 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1264 1 108 ASP H 1 108 ASP HB3 . . 4.380 2.606 2.353 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1265 1 109 ALA H 1 109 ALA MB . . 3.070 2.077 1.982 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1266 1 109 ALA H 1 110 ALA H . . 4.050 2.716 2.568 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1267 1 109 ALA H 1 112 ASN H . . 5.500 5.005 4.746 5.586 0.086 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1268 1 109 ALA HA 1 109 ALA MB . . 2.610 2.125 2.106 2.148 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1269 1 109 ALA MB 1 110 ALA H . . 6.000 2.472 2.346 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1270 1 110 ALA H 1 110 ALA MB . . 3.110 2.147 1.998 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1271 1 110 ALA H 1 111 GLY HA3 . . 5.500 5.152 4.754 5.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1272 1 110 ALA H 1 111 GLY H . . 3.190 2.471 2.017 2.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1273 1 110 ALA H 1 112 ASN H . . 4.300 4.129 3.490 4.351 0.051 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1274 1 110 ALA MB 1 111 GLY H . . 4.230 2.908 2.845 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1275 1 110 ALA MB 1 112 ASN QD . . 4.170 3.616 3.000 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1276 1 110 ALA MB 1 112 ASN H . . 4.530 3.548 2.580 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1277 1 111 GLY HA2 1 112 ASN H . . 3.560 2.773 2.683 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1278 1 111 GLY HA3 1 112 ASN H . . 4.190 3.595 3.489 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1279 1 111 GLY H 1 112 ASN HB2 . . 5.500 5.643 5.543 5.810 0.310 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1280 1 111 GLY H 1 112 ASN H . . 3.480 2.311 2.090 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1281 1 112 ASN HA 1 113 GLY H . . 3.480 2.546 2.334 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1282 1 112 ASN HB2 1 113 GLY H . . 4.770 2.478 1.955 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1283 1 112 ASN HB3 1 113 GLY H . . 4.380 3.741 3.266 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1284 1 112 ASN QD 1 113 GLY H . . 6.000 3.701 3.052 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1285 1 112 ASN H 1 112 ASN HB2 . . 3.580 3.729 3.526 3.872 0.292 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1286 1 112 ASN H 1 112 ASN HB3 . . 4.190 2.952 2.281 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1287 1 112 ASN H 1 112 ASN QD . . 4.990 2.244 1.885 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1288 1 112 ASN H 1 113 GLY H . . 5.500 4.467 4.327 4.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1289 1 115 GLU HA 1 115 GLU QG . . 3.760 2.857 1.897 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1290 1 115 GLU HA 1 116 GLY HA3 . . 4.650 4.414 4.395 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1291 1 115 GLU HA 1 116 GLY H . . 3.170 2.189 2.163 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1292 1 115 GLU HB2 1 116 GLY H . . 4.420 3.752 2.605 4.611 0.191 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1293 1 115 GLU HB3 1 116 GLY H . . 4.980 4.035 3.387 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1294 1 115 GLU H 1 115 GLU HA . . 2.910 2.734 2.675 2.970 0.060 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1295 1 115 GLU H 1 115 GLU HB2 . . 3.540 3.132 2.060 3.697 0.157 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1296 1 115 GLU H 1 115 GLU HB3 . . 3.490 2.848 2.279 3.575 0.085 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1297 1 115 GLU H 1 115 GLU QG . . 3.480 2.550 1.869 3.614 0.134 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1298 1 115 GLU QG 1 116 GLY H . . 5.090 3.839 2.171 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1299 1 116 GLY HA2 1 117 VAL HB . . 4.770 4.379 4.164 5.104 0.334 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1300 1 116 GLY HA2 1 117 VAL H . . 3.320 2.347 2.185 2.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1301 1 116 GLY HA3 1 117 VAL HB . . 5.360 5.293 5.143 5.518 0.158 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1302 1 116 GLY HA3 1 117 VAL H . . 3.670 3.030 2.797 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1303 1 117 VAL HA 1 117 VAL MG1 . . 3.090 2.524 2.308 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1304 1 117 VAL HA 1 117 VAL MG2 . . 3.200 2.167 1.963 2.399 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1305 1 117 VAL HA 1 118 ALA H . . 2.950 2.193 2.161 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1306 1 117 VAL HA 1 118 ALA MB . . 4.100 4.006 3.928 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1307 1 117 VAL HB 1 118 ALA H . . 5.330 4.570 4.415 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1308 1 117 VAL HB 1 119 ILE MD . . 5.500 5.366 4.670 5.726 0.226 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1309 1 117 VAL H 1 117 VAL HB . . 3.490 2.448 2.207 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1310 1 117 VAL H 1 117 VAL MG1 . . 4.190 3.667 3.519 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1311 1 117 VAL H 1 117 VAL MG2 . . 3.120 3.111 2.711 3.297 0.177 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1312 1 117 VAL H 1 118 ALA H . . 5.260 4.114 3.928 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1313 1 117 VAL H 1 119 ILE QG . . 6.000 5.724 5.249 6.089 0.089 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1314 1 117 VAL H 1 119 ILE MD . . 7.030 6.499 5.857 7.041 0.011 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1315 1 117 VAL MG1 1 117 VAL MG2 . . 2.400 2.022 1.859 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1316 1 117 VAL MG1 1 118 ALA H . . 3.960 3.175 2.756 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1317 1 117 VAL MG2 1 118 ALA H . . 4.720 3.980 3.779 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1318 1 118 ALA HA 1 119 ILE H . . 2.980 2.222 2.161 2.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1319 1 118 ALA H 1 118 ALA MB . . 3.170 2.157 2.026 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1320 1 118 ALA H 1 119 ILE H . . 5.140 4.574 4.463 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1321 1 118 ALA MB 1 119 ILE HA . . 4.770 4.086 3.921 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1322 1 118 ALA MB 1 119 ILE H . . 3.590 3.027 2.635 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1323 1 119 ILE HA 1 119 ILE MD . . 4.000 3.889 3.535 4.120 0.120 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1324 1 119 ILE HA 1 120 SER H . . 3.750 2.499 2.327 2.739 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1325 1 119 ILE HB 1 119 ILE MD . . 3.320 2.276 1.946 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1326 1 119 ILE HB 1 120 SER H . . 3.760 2.886 1.932 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1327 1 119 ILE QG 1 120 SER H . . 5.500 3.942 3.088 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1328 1 119 ILE H 1 119 ILE QG . . 3.310 2.200 1.988 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1329 1 119 ILE H 1 119 ILE MD . . 3.900 3.851 3.598 4.124 0.224 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1330 1 119 ILE H 1 119 ILE MG . . 4.000 3.521 2.743 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1331 1 119 ILE H 1 120 SER H . . 5.260 4.486 4.352 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1332 1 119 ILE H 1 120 SER QB . . 6.000 4.954 4.462 5.275 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1333 1 119 ILE MD 1 120 SER QB . . 6.000 5.770 4.911 6.258 0.258 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1334 1 119 ILE MD 1 119 ILE MG . . 2.400 2.012 1.683 2.506 0.106 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1335 1 119 ILE MG 1 120 SER H . . 4.350 2.556 1.779 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1336 1 120 SER HA 1 121 PHE QB . . 5.500 4.362 4.179 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1337 1 120 SER HA 1 121 PHE H . . 2.930 2.298 2.163 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1338 1 120 SER HA 1 121 PHE QR . . 3.590 2.871 2.313 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1339 1 120 SER HA 1 122 ASN H . . 6.000 5.928 5.387 6.158 0.158 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1340 1 120 SER H 1 121 PHE H . . 5.500 4.213 4.002 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1341 1 120 SER QB 1 121 PHE H . . 3.690 3.342 2.249 3.858 0.168 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1342 1 120 SER QB 1 122 ASN H . . 6.000 5.019 4.266 5.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1343 1 121 PHE HA 1 122 ASN QD . . 3.950 3.629 3.176 6.008 2.058 47 1 "[ . 1 . 2 . 3 . 4 . +]" 1
1344 1 121 PHE HA 1 122 ASN H . . 3.420 2.171 2.163 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1345 1 121 PHE QB 1 122 ASN H . . 3.900 3.390 3.218 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1346 1 121 PHE H 1 121 PHE QB . . 3.600 2.448 2.200 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1347 1 121 PHE H 1 121 PHE QD . . 3.610 2.225 1.996 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1348 1 121 PHE H 1 122 ASN HA . . 6.000 5.864 5.118 6.175 0.175 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1349 1 121 PHE H 1 122 ASN H . . 5.200 4.357 3.856 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1350 1 121 PHE QD 1 122 ASN H . . 4.710 4.629 4.328 4.961 0.251 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1351 1 122 ASN H 1 122 ASN QB . . 3.580 3.257 2.842 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 199
_Distance_constraint_stats_list.Viol_total 2994.922
_Distance_constraint_stats_list.Viol_max 0.740
_Distance_constraint_stats_list.Viol_rms 0.2183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2260
_Distance_constraint_stats_list.Viol_average_violations_only 0.3202
_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 46 CYS 55.292 0.740 7 34 "[ ** * + **** *.******** .*** ** -*.******* ** *]"
1 56 CYS 55.292 0.740 7 34 "[ ** * + **** *.******** .*** ** -*.******* ** *]"
1 97 CYS 8.430 0.237 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 102 CYS 8.430 0.237 26 0 "[ . 1 . 2 . 3 . 4 . ]"
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 46 CYS SG 1 56 CYS SG . . 2.100 2.348 2.065 2.661 0.561 38 4 "[ . * . 2 - . 3 . + * . ]" 2
2 1 46 CYS SG 1 56 CYS CB . . 3.100 3.581 3.323 3.840 0.740 7 15 "[ ** . + ** . * *2 ** . 3- * . * ** *. ]" 2
3 1 46 CYS CB 1 56 CYS SG . . 3.100 3.546 3.197 3.791 0.691 45 24 "[ * * *1 * *.* ***** .*** ** -*.** *4 * + *]" 2
4 1 97 CYS SG 1 102 CYS SG . . 2.100 2.070 1.969 2.275 0.175 29 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 97 CYS SG 1 102 CYS CB . . 3.100 3.226 3.021 3.337 0.237 26 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 97 CYS CB 1 102 CYS SG . . 3.100 3.101 2.962 3.302 0.202 4 0 "[ . 1 . 2 . 3 . 4 . ]" 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 86
_Distance_constraint_stats_list.Viol_count 2125
_Distance_constraint_stats_list.Viol_total 34314.305
_Distance_constraint_stats_list.Viol_max 2.875
_Distance_constraint_stats_list.Viol_rms 0.3693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1806
_Distance_constraint_stats_list.Viol_average_violations_only 0.3436
_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 13 THR 12.466 0.516 44 2 "[ . 1 . 2 . - 3 . 4 +. ]"
1 15 THR 0.754 0.140 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 THR 4.186 0.299 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 SER 69.820 2.005 19 19 "[* * .** ***** .*-*+2 * 3* **** 4 . ]"
1 22 LEU 194.733 2.875 11 47 [**********+***********************************-]
1 23 SER 15.109 0.431 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 THR 43.531 0.735 27 10 "[ .* -** * *2 * . + 3 . 4* .* ]"
1 28 VAL 9.344 0.422 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 LYS 4.186 0.299 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 VAL 29.497 0.556 6 1 "[ .+ 1 . 2 . 3 . 4 . ]"
1 31 ALA 0.754 0.140 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 GLY 76.016 0.846 20 29 "[* .** ** *.* **+** ***** ** ** * *- ***.**]"
1 33 ALA 12.466 0.516 44 2 "[ . 1 . 2 . - 3 . 4 +. ]"
1 36 GLN 11.459 0.425 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 THR 10.789 0.342 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 TYR 75.358 0.786 6 38 "[*** *+** * * *** ****************** * -**** .**]"
1 42 ASP 0.133 0.100 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 VAL 24.945 0.606 6 1 "[ .+ 1 . 2 . 3 . 4 . ]"
1 44 GLY 0.170 0.170 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 GLN 58.871 0.758 37 22 "[ ** * * 1 *. ** -* ** ***** .*+ 4 *** *]"
1 46 CYS 26.347 0.737 47 4 "[ . - 1 . 2 . *3 * . 4 . +]"
1 47 ALA 0.572 0.114 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 VAL 2.318 0.271 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 VAL 2.318 0.271 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 ALA 0.572 0.114 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 ASN 38.045 0.427 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 ASP 15.096 0.302 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 SER 24.945 0.606 6 1 "[ .+ 1 . 2 . 3 . 4 . ]"
1 64 VAL 63.899 0.786 6 38 "[*** *+** * * *** ****************** * -**** .**]"
1 66 ALA 10.789 0.342 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 ASP 10.041 0.193 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 71 SER 10.041 0.193 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 72 ALA 76.016 0.846 20 29 "[* .** ** *.* **+** ***** ** ** * *- ***.**]"
1 74 THR 29.497 0.556 6 1 "[ .+ 1 . 2 . 3 . 4 . ]"
1 76 LEU 9.344 0.422 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 VAL 28.422 0.735 27 10 "[ .* -** * *2 * . + 3 . 4* .* ]"
1 79 ARG 35.921 0.758 37 22 "[ ** * * 1 *. ** -* ** ***** .*+ 4 *** *]"
1 80 ARG 2.258 0.178 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 82 PHE 14.568 0.354 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 84 GLY 2.145 0.134 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 86 LEU 0.378 0.076 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 90 THR 0.378 0.076 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 92 TRP 2.145 0.134 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 95 VAL 14.568 0.354 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 97 CYS 2.258 0.178 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 102 CYS 4.671 0.405 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 103 GLN 26.347 0.737 47 4 "[ . - 1 . 2 . *3 * . 4 . +]"
1 104 VAL 41.051 0.884 19 42 "[***********-* * *+****************** ********]"
1 105 GLY 0.170 0.170 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 107 SER 0.133 0.100 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 108 ASP 0.037 0.024 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 112 ASN 0.037 0.024 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 117 VAL 41.051 0.884 19 42 "[***********-* * *+****************** ********]"
1 119 ILE 4.671 0.405 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 120 SER 264.553 2.875 11 47 [**********+*****-******************************]
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 13 THR H 1 33 ALA O . . 2.000 2.146 1.696 2.516 0.516 44 2 "[ . 1 . 2 . - 3 . 4 +. ]" 3
2 1 13 THR N 1 33 ALA O . . 3.000 2.940 2.481 3.342 0.342 44 0 "[ . 1 . 2 . 3 . 4 . ]" 3
3 1 15 THR H 1 31 ALA O . . 2.000 1.561 1.367 1.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
4 1 15 THR N 1 31 ALA O . . 3.000 2.380 2.159 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
5 1 17 THR H 1 29 LYS O . . 2.000 2.069 1.818 2.299 0.299 10 0 "[ . 1 . 2 . 3 . 4 . ]" 3
6 1 17 THR N 1 29 LYS O . . 3.000 2.894 2.678 3.063 0.063 10 0 "[ . 1 . 2 . 3 . 4 . ]" 3
7 1 22 LEU H 1 120 SER O . . 2.000 4.092 3.430 4.875 2.875 11 47 [**********+***********************************-] 3
8 1 22 LEU N 1 120 SER O . . 3.000 5.051 4.377 5.861 2.861 11 47 [**********+***********************************-] 3
9 1 23 SER O 1 26 THR H . . 2.000 2.196 2.067 2.431 0.431 37 0 "[ . 1 . 2 . 3 . 4 . ]" 3
10 1 23 SER O 1 26 THR N . . 3.000 3.125 3.013 3.352 0.352 37 0 "[ . 1 . 2 . 3 . 4 . ]" 3
11 1 28 VAL H 1 76 LEU O . . 2.000 1.933 1.573 2.291 0.291 11 0 "[ . 1 . 2 . 3 . 4 . ]" 3
12 1 28 VAL N 1 76 LEU O . . 3.000 2.795 2.455 3.088 0.088 19 0 "[ . 1 . 2 . 3 . 4 . ]" 3
13 1 30 VAL H 1 74 THR O . . 2.000 2.149 1.920 2.423 0.423 20 0 "[ . 1 . 2 . 3 . 4 . ]" 3
14 1 30 VAL N 1 74 THR O . . 3.000 3.036 2.685 3.311 0.311 20 0 "[ . 1 . 2 . 3 . 4 . ]" 3
15 1 15 THR O 1 31 ALA H . . 2.000 1.974 1.883 2.140 0.140 31 0 "[ . 1 . 2 . 3 . 4 . ]" 3
16 1 15 THR O 1 31 ALA N . . 3.000 2.833 2.704 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
17 1 32 GLY H 1 72 ALA O . . 2.000 2.433 2.062 2.753 0.753 6 17 "[ .+* 1 .* * 2 * ** ** ** * * - **.* ]" 3
18 1 32 GLY N 1 72 ALA O . . 3.000 3.224 2.905 3.545 0.545 6 1 "[ .+ 1 . 2 . 3 . 4 . ]" 3
19 1 13 THR O 1 33 ALA H . . 2.000 1.520 1.236 1.739 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
20 1 13 THR O 1 33 ALA N . . 3.000 2.132 1.942 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
21 1 36 GLN H 1 41 TYR OH . . 2.000 2.130 1.945 2.425 0.425 47 0 "[ . 1 . 2 . 3 . 4 . ]" 3
22 1 36 GLN N 1 41 TYR OH . . 3.000 3.042 2.695 3.421 0.421 39 0 "[ . 1 . 2 . 3 . 4 . ]" 3
23 1 41 TYR H 1 64 VAL O . . 2.000 2.143 1.871 2.408 0.408 27 0 "[ . 1 . 2 . 3 . 4 . ]" 3
24 1 41 TYR N 1 64 VAL O . . 3.000 3.113 2.812 3.395 0.395 27 0 "[ . 1 . 2 . 3 . 4 . ]" 3
25 1 43 VAL H 1 62 SER O . . 2.000 2.345 2.108 2.606 0.606 6 1 "[ .+ 1 . 2 . 3 . 4 . ]" 3
26 1 43 VAL N 1 62 SER O . . 3.000 3.185 2.969 3.444 0.444 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
27 1 44 GLY H 1 105 GLY O . . 2.000 1.612 1.215 2.170 0.170 11 0 "[ . 1 . 2 . 3 . 4 . ]" 3
28 1 44 GLY N 1 105 GLY O . . 3.000 2.152 1.905 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
29 1 46 CYS H 1 103 GLN O . . 2.000 1.959 1.715 2.286 0.286 47 0 "[ . 1 . 2 . 3 . 4 . ]" 3
30 1 46 CYS N 1 103 GLN O . . 3.000 2.927 2.721 3.264 0.264 47 0 "[ . 1 . 2 . 3 . 4 . ]" 3
31 1 47 ALA H 1 55 ALA O . . 2.000 1.876 1.740 2.037 0.037 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
32 1 47 ALA N 1 55 ALA O . . 3.000 2.775 2.623 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
33 1 49 VAL H 1 53 VAL O . . 2.000 1.969 1.776 2.271 0.271 42 0 "[ . 1 . 2 . 3 . 4 . ]" 3
34 1 49 VAL N 1 53 VAL O . . 3.000 2.860 2.664 3.241 0.241 42 0 "[ . 1 . 2 . 3 . 4 . ]" 3
35 1 47 ALA O 1 55 ALA H . . 2.000 1.919 1.758 2.114 0.114 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
36 1 47 ALA O 1 55 ALA N . . 3.000 2.831 2.725 3.021 0.021 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
37 1 56 CYS H 1 85 PHE O . . 2.000 1.599 1.300 1.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
38 1 56 CYS N 1 85 PHE O . . 3.000 2.449 2.160 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
39 1 45 GLN O 1 57 ASN H . . 2.000 2.312 2.092 2.427 0.427 34 0 "[ . 1 . 2 . 3 . 4 . ]" 3
40 1 45 GLN O 1 57 ASN N . . 3.000 3.172 2.858 3.359 0.359 38 0 "[ . 1 . 2 . 3 . 4 . ]" 3
41 1 57 ASN O 1 60 ASP H . . 2.000 2.166 2.118 2.302 0.302 35 0 "[ . 1 . 2 . 3 . 4 . ]" 3
42 1 57 ASN O 1 60 ASP N . . 3.000 3.155 3.104 3.290 0.290 35 0 "[ . 1 . 2 . 3 . 4 . ]" 3
43 1 41 TYR O 1 64 VAL H . . 2.000 2.570 2.317 2.786 0.786 6 38 "[-** *+** * * *** ****************** * ***** .**]" 3
44 1 41 TYR O 1 64 VAL N . . 3.000 3.511 3.239 3.714 0.714 6 27 "[ .+** 1 * *** *** * ** ******* * * -* * .**]" 3
45 1 39 THR O 1 66 ALA H . . 2.000 2.106 1.843 2.342 0.342 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
46 1 39 THR O 1 66 ALA N . . 3.000 3.092 2.833 3.329 0.329 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
47 1 67 ASP H 1 71 SER O . . 2.000 2.103 1.919 2.193 0.193 39 0 "[ . 1 . 2 . 3 . 4 . ]" 3
48 1 67 ASP N 1 71 SER O . . 3.000 3.092 2.919 3.191 0.191 39 0 "[ . 1 . 2 . 3 . 4 . ]" 3
49 1 67 ASP O 1 70 GLY H . . 2.000 1.875 1.836 1.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
50 1 67 ASP O 1 70 GLY N . . 3.000 2.797 2.751 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
51 1 67 ASP OD1 1 71 SER H . . 2.000 1.949 1.807 2.094 0.094 16 0 "[ . 1 . 2 . 3 . 4 . ]" 3
52 1 67 ASP OD1 1 71 SER N . . 3.000 2.908 2.774 3.021 0.021 26 0 "[ . 1 . 2 . 3 . 4 . ]" 3
53 1 32 GLY O 1 72 ALA H . . 2.000 2.527 2.244 2.846 0.846 20 27 "[* .** *- *.* **+** **** 3* ** * ** ***.**]" 3
54 1 32 GLY O 1 72 ALA N . . 3.000 3.431 3.125 3.766 0.766 20 16 "[ .* 1 *.* * +* . ** 3 ** * *4 **-.* ]" 3
55 1 30 VAL O 1 74 THR H . . 2.000 2.244 1.791 2.556 0.556 6 1 "[ .+ 1 . 2 . 3 . 4 . ]" 3
56 1 30 VAL O 1 74 THR N . . 3.000 3.145 2.753 3.415 0.415 27 0 "[ . 1 . 2 . 3 . 4 . ]" 3
57 1 28 VAL O 1 76 LEU H . . 2.000 2.100 1.699 2.422 0.422 11 0 "[ . 1 . 2 . 3 . 4 . ]" 3
58 1 28 VAL O 1 76 LEU N . . 3.000 2.923 2.621 3.230 0.230 40 0 "[ . 1 . 2 . 3 . 4 . ]" 3
59 1 26 THR O 1 78 VAL H . . 2.000 2.313 1.915 2.732 0.732 27 10 "[ .* -** * *2 * . + 3 . 4* .* ]" 3
60 1 26 THR O 1 78 VAL N . . 3.000 3.285 2.896 3.735 0.735 27 9 "[ .* *** * -2 . + 3 . 4* .* ]" 3
61 1 45 GLN OE1 1 79 ARG H . . 2.000 2.443 1.817 2.758 0.758 37 22 "[ ** * * 1 *. ** -* ** ***** .*+ 4 *** *]" 3
62 1 45 GLN OE1 1 79 ARG N . . 3.000 3.304 2.796 3.656 0.656 31 8 "[ . 1 . 2* ** -3+* . * 4 . *]" 3
63 1 82 PHE H 1 95 VAL O . . 2.000 2.211 2.089 2.354 0.354 36 0 "[ . 1 . 2 . 3 . 4 . ]" 3
64 1 82 PHE N 1 95 VAL O . . 3.000 3.096 2.936 3.235 0.235 36 0 "[ . 1 . 2 . 3 . 4 . ]" 3
65 1 56 CYS O 1 85 PHE H . . 2.000 1.532 1.273 1.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
66 1 56 CYS O 1 85 PHE N . . 3.000 2.444 2.179 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
67 1 86 LEU H 1 90 THR O . . 2.000 1.899 1.825 2.076 0.076 6 0 "[ . 1 . 2 . 3 . 4 . ]" 3
68 1 86 LEU N 1 90 THR O . . 3.000 2.757 2.649 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
69 1 84 GLY O 1 92 TRP H . . 2.000 2.040 1.870 2.134 0.134 15 0 "[ . 1 . 2 . 3 . 4 . ]" 3
70 1 84 GLY O 1 92 TRP N . . 3.000 2.879 2.713 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
71 1 82 PHE O 1 95 VAL H . . 2.000 1.826 1.730 1.977 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
72 1 82 PHE O 1 95 VAL N . . 3.000 2.752 2.620 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
73 1 80 ARG O 1 97 CYS H . . 2.000 2.040 1.938 2.178 0.178 11 0 "[ . 1 . 2 . 3 . 4 . ]" 3
74 1 80 ARG O 1 97 CYS N . . 3.000 2.693 2.553 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
75 1 46 CYS O 1 103 GLN H . . 2.000 2.278 1.937 2.737 0.737 47 4 "[ . - 1 . 2 . *3 * . 4 . +]" 3
76 1 46 CYS O 1 103 GLN N . . 3.000 3.202 2.892 3.624 0.624 47 1 "[ . 1 . 2 . 3 . 4 . +]" 3
77 1 104 VAL H 1 117 VAL O . . 2.000 2.634 2.386 2.884 0.884 19 42 "[-************ * *+****************** ********]" 3
78 1 104 VAL N 1 117 VAL O . . 3.000 3.238 2.944 3.507 0.507 12 1 "[ . 1 + . 2 . 3 . 4 . ]" 3
79 1 42 ASP O 1 107 SER H . . 2.000 1.653 1.160 2.100 0.100 45 0 "[ . 1 . 2 . 3 . 4 . ]" 3
80 1 42 ASP O 1 107 SER N . . 3.000 1.899 1.400 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
81 1 108 ASP OD1 1 112 ASN H . . 2.000 1.794 1.704 2.024 0.024 38 0 "[ . 1 . 2 . 3 . 4 . ]" 3
82 1 108 ASP OD1 1 112 ASN N . . 3.000 2.692 2.624 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
83 1 102 CYS O 1 119 ILE H . . 2.000 2.010 1.418 2.405 0.405 37 0 "[ . 1 . 2 . 3 . 4 . ]" 3
84 1 102 CYS O 1 119 ILE N . . 3.000 2.648 2.158 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 3
85 1 19 SER O 1 120 SER H . . 2.000 2.784 1.980 4.005 2.005 19 19 "[* * .** ***** .*-*+2 * 3* **** 4 . ]" 3
86 1 19 SER O 1 120 SER N . . 3.000 3.696 2.820 4.889 1.889 19 18 "[* * .** **-** .* *+2 * 3* **** 4 . ]" 3
stop_
save_
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