NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463404 |
2jw8   |
15511 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jw8
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 2495
_Distance_constraint_stats_list.Viol_count 9068
_Distance_constraint_stats_list.Viol_total 57815.387
_Distance_constraint_stats_list.Viol_max 2.926
_Distance_constraint_stats_list.Viol_rms 0.1866
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0579
_Distance_constraint_stats_list.Viol_average_violations_only 0.3188
_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 11 THR 0.308 0.291 16 0 "[ . 1 . 2]"
1 12 LYS 1.350 0.357 19 0 "[ . 1 . 2]"
1 13 LYS 3.678 0.458 10 0 "[ . 1 . 2]"
1 14 SER 2.725 0.387 8 0 "[ . 1 . 2]"
1 15 ALA 6.054 1.597 15 2 "[ . - 1 + 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 1.749 0.369 15 0 "[ . 1 . 2]"
1 18 ALA 7.124 1.597 15 3 "[ *. - 1 + 2]"
1 19 SER 1.749 0.744 4 1 "[ +. 1 . 2]"
1 20 LYS 0.151 0.072 15 0 "[ . 1 . 2]"
1 21 LYS 7.792 0.686 3 2 "[ + . - 1 . 2]"
1 22 PRO 22.919 1.398 14 14 "[ ***.*** *** +*-* *]"
1 23 ARG 31.146 1.446 6 17 "[*****+-*** * *.*****]"
1 24 GLN 22.518 1.455 13 14 "[ ****** *1 *+*.-* **]"
1 25 LYS 29.359 1.398 14 12 "[ **** ****+* * *]"
1 26 ARG 56.303 1.446 6 19 "[*****+**** ********-]"
1 27 THR 12.923 0.976 9 4 "[ . +1-* *. 2]"
1 28 ALA 19.209 1.100 3 7 "[ *+ .* *1 * . *-]"
1 29 THR 33.630 1.685 16 17 "[** *.**-*******+* **]"
1 30 LYS 22.049 1.234 17 9 "[ **. * 1 -* .*+* *]"
1 31 GLN 5.108 1.234 17 3 "[ . 1 * .*+ 2]"
1 32 TYR 20.053 2.192 6 9 "[** .+* 1*- * **]"
1 33 ASN 15.494 1.637 16 13 "[ ***.*** * ***.+ -*]"
1 34 VAL 19.753 1.685 16 11 "[ * .**-** ***.+* 2]"
1 35 THR 37.587 1.712 6 16 "[*- **+**** ** ** ***]"
1 36 GLN 17.839 1.469 6 6 "[ * .+ * * *. -2]"
1 37 ALA 38.192 2.192 6 16 "[** **+**** ** .*-***]"
1 38 PHE 43.603 1.352 17 14 "[ ** *** **-* *.*+**2]"
1 39 GLY 38.473 2.124 6 16 "[*- **+**** ** **** *]"
1 40 ARG 0.952 0.435 6 0 "[ . 1 . 2]"
1 41 ARG 33.305 1.779 2 16 "[-+***** *** *.*****]"
1 42 GLY 19.534 1.779 2 12 "[ +* * * *** *.*** *]"
1 43 PRO 1.969 0.563 1 1 "[+ . 1 . 2]"
1 44 GLU 25.627 1.533 4 15 "[* *+.** ******.* *-*]"
1 45 GLN 2.981 0.343 16 0 "[ . 1 . 2]"
1 46 THR 11.764 0.879 14 4 "[ . 1* -+. * 2]"
1 47 GLN 20.482 1.533 4 11 "[- +.** **** *. * *]"
1 48 GLY 6.654 0.879 14 4 "[ *. 1* +. - 2]"
1 49 ASN 7.563 0.905 5 5 "[-* + 1 . **]"
1 50 PHE 14.345 1.817 20 11 "[* **. * *- *.** *+]"
1 51 GLY 1.461 0.900 20 1 "[ . 1 . +]"
1 52 ASP 28.972 1.757 20 16 "[**- ** **** ******+]"
1 53 GLN 8.523 1.197 8 5 "[ .* + 1 - * *]"
1 54 ASP 6.924 0.837 2 1 "[ + . 1 . 2]"
1 55 LEU 15.626 1.134 7 4 "[ * + 1 . **2]"
1 56 ILE 23.768 0.848 15 8 "[ * .* - 1 * +** *]"
1 57 ARG 16.132 0.793 17 4 "[ ** 1 *. + 2]"
1 58 GLN 16.831 0.888 18 6 "[ - ** *1 . *+ 2]"
1 59 GLY 11.680 0.711 9 6 "[* -** +1* . 2]"
1 60 THR 8.164 0.807 2 1 "[ + . 1 . 2]"
1 61 ASP 14.342 0.987 20 8 "[* *-** *1* . +]"
1 62 TYR 6.437 0.513 1 1 "[+ . 1 . 2]"
1 63 LYS 38.967 2.061 17 18 "[-* ********** **+***]"
1 64 HIS 48.273 2.061 17 19 "[-* *************+***]"
1 65 TRP 13.721 1.294 2 3 "[*+ .* 1 . 2]"
1 66 PRO 10.137 0.798 7 3 "[ .*+ 1 . *]"
1 67 GLN 20.054 0.885 10 13 "[ ** .****+ -** * **]"
1 68 ILE 38.895 1.294 2 14 "[*+***** ** * ** **]"
1 69 ALA 51.108 1.755 11 14 "[*** *** *+ *.-****]"
1 70 GLN 37.444 2.926 19 13 "[ **** **** -** *+2]"
1 71 PHE 83.378 2.926 19 20 [*************-****+*]
1 72 ALA 14.941 0.718 5 5 "[ + * - . **]"
1 73 PRO 11.298 0.957 14 4 "[ . - 1 +. ** 2]"
1 74 SER 23.814 1.489 17 16 "[-***.** ** *****+**2]"
1 75 ALA 1.137 0.363 19 0 "[ . 1 . 2]"
1 76 SER 7.950 0.964 12 4 "[- . * 1 + .* 2]"
1 77 ALA 49.921 1.801 4 16 "[**-+*** *** * *** **]"
1 78 PHE 42.888 2.411 5 15 "[* **+ **-****** * *2]"
1 79 PHE 60.939 1.678 7 16 "[ ***-*+**1******** 2]"
1 80 GLY 41.437 1.582 5 12 "[ **+** *** * ** *2]"
1 81 MET 54.839 2.411 5 17 "[****+** -******* **2]"
1 82 SER 3.969 0.994 19 4 "[ * 1 *- . +2]"
1 83 ARG 4.124 0.536 3 1 "[ + . 1 . 2]"
1 84 ILE 38.677 1.621 4 18 "[*-*+**********.*** *]"
1 85 GLY 16.823 1.439 11 11 "[ **** *+** .* *-2]"
1 86 MET 82.705 1.694 17 19 "[***-** *********+***]"
1 87 GLU 8.692 0.872 12 4 "[* .* -1 + . 2]"
1 88 VAL 9.836 0.713 11 3 "[ . *1+ -. 2]"
1 89 THR 46.570 1.050 12 17 "[ * ***** **+-*******]"
1 90 PRO 12.753 0.826 2 6 "[ + ** 1 * .- *2]"
1 91 SER 0.869 0.220 6 0 "[ . 1 . 2]"
1 92 GLY 24.082 1.620 20 9 "[- .** *1* ** * +]"
1 93 THR 36.429 1.118 6 13 "[* * *+ *****-* * *]"
1 94 TRP 51.211 1.620 20 19 "[-***** ************+]"
1 95 LEU 35.833 1.050 4 15 "[ *+*****1***-* ***2]"
1 96 THR 13.109 0.688 3 4 "[ + . 1 - * * 2]"
1 97 TYR 24.237 1.170 11 12 "[ ** * ***1+-* ** *]"
1 98 HIS 20.173 1.499 19 12 "[ *** ** ** *-* +*]"
1 99 GLY 14.437 1.499 19 11 "[ *** ** * *-* +*]"
1 100 ALA 18.835 0.877 16 5 "[ -** 1 *+ 2]"
1 101 ILE 51.837 1.585 7 18 "[***** +**** *-******]"
1 102 LYS 19.542 1.713 7 7 "[ *. +* - .** *]"
1 103 LEU 49.773 1.768 20 13 "[* * .*** *- **.** *+]"
1 104 ASP 18.215 1.443 2 13 "[*+* .****1- .*****]"
1 105 ASP 32.177 1.388 8 13 "[*** . *+**- *****2]"
1 106 LYS 28.459 1.443 2 11 "[*+- . * *1* *****2]"
1 107 ASP 34.664 0.922 19 9 "[ ** .* * * * . - +*]"
1 108 PRO 19.092 0.885 8 7 "[ .* + * * . - **]"
1 109 GLN 29.753 1.842 3 11 "[**+ * -** * * * *2]"
1 110 PHE 37.646 1.873 3 9 "[ + . *** ** -**2]"
1 111 LYS 24.482 1.101 8 6 "[* - * + 1 . * *2]"
1 112 ASP 18.175 0.943 15 11 "[** * *** -*+ * *2]"
1 113 ASN 23.345 1.873 3 6 "[ + . ** 1 *. - *2]"
1 114 VAL 24.279 1.150 13 10 "[ * .* * *- +*.** *2]"
1 115 ILE 7.147 1.901 6 4 "[* .+ 1- * 2]"
1 116 LEU 27.116 1.116 9 11 "[ * . +******* -*2]"
1 117 LEU 20.809 1.312 13 12 "[ *** *-* *+*. ***]"
1 118 ASN 18.279 1.423 13 10 "[ **-** **1 +** 2]"
1 119 LYS 22.061 0.905 19 9 "[* * - ** *.* *+2]"
1 120 HIS 71.835 1.134 7 17 "[*** **+*** ***.***-*]"
1 121 ILE 44.145 1.817 20 14 "[ ****-******** +]"
1 122 ASP 8.422 0.939 17 3 "[ .* 1 . + -2]"
1 123 ALA 19.727 1.283 8 8 "[ * .- + * **. **]"
1 124 TYR 49.186 1.757 20 20 [**********-********+]
1 125 LYS 5.925 0.554 7 1 "[ . + 1 . 2]"
1 126 THR 13.386 0.761 8 4 "[ * . + 1 * . *2]"
1 127 PHE 39.836 0.900 20 10 "[ *- * * 1* * * * *+]"
1 128 PRO 3.834 1.197 8 2 "[ . + 1 - . 2]"
2 11 THR 0.639 0.336 16 0 "[ . 1 . 2]"
2 12 LYS 1.584 0.394 9 0 "[ . 1 . 2]"
2 13 LYS 4.009 0.529 10 1 "[ . + . 2]"
2 14 SER 2.664 0.529 10 1 "[ . + . 2]"
2 15 ALA 5.488 1.152 6 4 "[ - .+ 1 * . *2]"
2 16 ALA 0.027 0.027 17 0 "[ . 1 . 2]"
2 17 GLU 4.087 0.660 14 2 "[ . 1 +. -]"
2 18 ALA 9.248 1.152 6 4 "[ - .+ 1 * . *2]"
2 19 SER 2.858 0.477 4 0 "[ . 1 . 2]"
2 20 LYS 0.231 0.098 9 0 "[ . 1 . 2]"
2 21 LYS 2.941 0.656 11 2 "[ . 1+ -. 2]"
2 22 PRO 24.070 1.653 12 17 "[** *-* ***+********]"
2 23 ARG 39.172 1.550 1 19 "[+************-** ***]"
2 24 GLN 32.298 1.496 17 14 "[-***.** 1 *****+**2]"
2 25 LYS 25.635 1.653 12 11 "[* * . *** +* ***- 2]"
2 26 ARG 62.040 1.550 1 20 [+****************-**]
2 27 THR 8.434 0.526 1 2 "[+ . 1- . 2]"
2 28 ALA 15.666 1.008 12 7 "[ - . * 1 + *. * **]"
2 29 THR 49.419 1.799 18 16 "[-******* ****** *+ 2]"
2 30 LYS 27.682 0.989 4 11 "[ *+***-** * * * 2]"
2 31 GLN 16.422 0.975 3 8 "[**+ . ** 1 * - * 2]"
2 32 TYR 24.923 1.212 3 11 "[-*+ . * * ** * ***2]"
2 33 ASN 19.063 1.496 17 13 "[ ***** **1 -*** +* 2]"
2 34 VAL 23.327 1.799 18 15 "[* ***** 1*-*** *+**]"
2 35 THR 32.979 1.213 15 17 "[**-******1 ***+ ****]"
2 36 GLN 16.238 1.026 6 7 "[ * .+***1 - *. 2]"
2 37 ALA 34.746 1.392 6 18 "[*****+***1***** *-**]"
2 38 PHE 32.225 1.410 2 11 "[*+ . -1** ***** *]"
2 39 GLY 35.368 1.392 6 18 "[**-**+***1***** ****]"
2 40 ARG 0.772 0.488 18 0 "[ . 1 . 2]"
2 41 ARG 31.674 1.746 13 11 "[ ***.** 1 *+ .-***2]"
2 42 GLY 17.372 1.746 13 9 "[ * .** 1 *+ .**-*2]"
2 43 PRO 2.532 0.777 14 1 "[ . 1 +. 2]"
2 44 GLU 29.087 1.563 2 16 "[-+**. ********.** **]"
2 45 GLN 2.847 0.465 17 0 "[ . 1 . 2]"
2 46 THR 13.865 0.701 11 6 "[**- . 1+ .** 2]"
2 47 GLN 24.886 1.563 2 15 "[*+**. ** ** **.***-*]"
2 48 GLY 9.047 0.701 11 8 "[**- . *1+ .*** 2]"
2 49 ASN 7.308 0.848 19 4 "[ .* 1 * . -+2]"
2 50 PHE 8.397 1.129 13 4 "[ * . -*1 + . 2]"
2 51 GLY 2.559 0.605 15 1 "[ . 1 + 2]"
2 52 ASP 34.474 1.840 8 18 "[ ***-*+************]"
2 53 GLN 7.780 0.802 18 3 "[ . 1 .* + -]"
2 54 ASP 9.346 0.965 18 3 "[ . - 1 . + *]"
2 55 LEU 17.246 1.727 15 5 "[* . - 1 + **]"
2 56 ILE 22.742 0.934 12 6 "[ * . *1 + .* *-]"
2 57 ARG 17.888 0.919 4 6 "[ - +* **1 * 2]"
2 58 GLN 24.877 0.989 4 11 "[ -*+** **1 *** *2]"
2 59 GLY 21.508 0.475 14 0 "[ . 1 . 2]"
2 60 THR 12.577 0.721 7 5 "[ - +* * . * 2]"
2 61 ASP 23.027 0.901 19 7 "[ . * ** -.** +2]"
2 62 TYR 8.053 0.932 18 3 "[ . 1 - . +*2]"
2 63 LYS 36.394 2.720 9 17 "[*** ***-+* ** ******]"
2 64 HIS 42.967 2.720 9 17 "[*** **-*+* ** ******]"
2 65 TRP 18.811 0.932 18 7 "[ * -. 1 *** +*2]"
2 66 PRO 8.170 0.959 18 1 "[ . 1 . + 2]"
2 67 GLN 20.377 1.110 18 9 "[* - .** 1 ** *+*2]"
2 68 ILE 42.991 1.317 14 13 "[ ***-*** 1* +* ** *]"
2 69 ALA 41.087 1.514 14 10 "[ ** . - 1 *+**** *]"
2 70 GLN 29.666 2.313 7 9 "[ * .*+ *-* *. ** 2]"
2 71 PHE 89.223 2.580 16 19 "[*******-**** **+****]"
2 72 ALA 14.345 0.582 8 1 "[ . + 1 . 2]"
2 73 PRO 10.237 0.818 17 4 "[ . *1 -* + 2]"
2 74 SER 17.450 1.455 13 12 "[ ** ** 1**+**-* *2]"
2 75 ALA 5.467 0.710 18 4 "[ - * 1 . *+ 2]"
2 76 SER 14.461 1.219 12 8 "[ **-* * + . * *]"
2 77 ALA 65.145 2.225 4 14 "[** +***-*1 * .*****]"
2 78 PHE 76.162 2.404 9 18 "[********+** **.-****]"
2 79 PHE 83.860 1.755 11 20 [***-******+*********]
2 80 GLY 70.974 2.225 4 14 "[** +*****1 * ****-2]"
2 81 MET 86.980 2.404 9 20 [********+*********-*]
2 82 SER 0.001 0.001 6 0 "[ . 1 . 2]"
2 83 ARG 5.286 0.889 4 3 "[ +. -1 . * 2]"
2 84 ILE 37.622 1.394 7 18 "[*** **+**1**********]"
2 85 GLY 19.441 1.744 9 11 "[** . * +* *-.****2]"
2 86 MET 82.974 1.901 6 18 "[-****+* *** ********]"
2 87 GLU 5.948 0.725 2 3 "[ + - 1 . *2]"
2 88 VAL 11.860 0.838 13 3 "[ -. 1 + . * 2]"
2 89 THR 44.430 1.398 10 14 "[ * -*****+* *.****2]"
2 90 PRO 14.889 0.790 10 7 "[ - * *+ *. ** 2]"
2 91 SER 1.945 0.272 18 0 "[ . 1 . 2]"
2 92 GLY 21.707 1.630 11 7 "[ **.* *+* . * 2]"
2 93 THR 39.780 1.049 16 10 "[ **.** *- * *+* 2]"
2 94 TRP 51.482 1.713 7 16 "[***-.*+***** .*****]"
2 95 LEU 41.608 1.381 10 17 "[*** *****+* * ******]"
2 96 THR 12.060 0.877 16 5 "[ -. * 1 *+ *]"
2 97 TYR 31.512 1.043 5 14 "[****+ * *1* -*****2]"
2 98 HIS 12.823 0.840 6 9 "[* *.+* * * *. * *]"
2 99 GLY 12.488 0.889 4 10 "[* +.** -* * *. ** 2]"
2 100 ALA 21.201 0.814 17 6 "[ **. * 1 - . +* 2]"
2 101 ILE 54.732 1.529 16 19 "[ ********-*****+****]"
2 102 LYS 27.348 0.953 14 13 "[ *** * *- +******]"
2 103 LEU 61.497 2.580 16 16 "[ ***** *** ** *+-***]"
2 104 ASP 15.905 1.714 5 9 "[ * *+ *-* .* **2]"
2 105 ASP 19.256 1.079 19 9 "[*-* * * * **+2]"
2 106 LYS 21.643 1.714 5 7 "[*-* + * . * *2]"
2 107 ASP 31.765 0.883 15 8 "[**- . * 1* + ** 2]"
2 108 PRO 18.709 0.768 15 7 "[ *- . * 1* + * *2]"
2 109 GLN 23.757 1.808 7 9 "[***-. + 1 * * **2]"
2 110 PHE 28.595 1.267 7 9 "[ **.-+ * * ** * 2]"
2 111 LYS 22.486 0.930 18 10 "[ *-*.** ** * +*2]"
2 112 ASP 4.029 0.746 7 3 "[ -. + 1 . * 2]"
2 113 ASN 24.469 1.808 7 7 "[* *. + 1 * * - *2]"
2 114 VAL 23.222 1.000 12 12 "[ *** *** +**.* -*2]"
2 115 ILE 6.436 1.092 15 3 "[ .* 1 + - 2]"
2 116 LEU 27.192 1.409 10 7 "[- * .* + ** * 2]"
2 117 LEU 13.119 0.815 5 5 "[* -+ * 1 *. 2]"
2 118 ASN 17.982 1.409 10 9 "[* .** +* **-* 2]"
2 119 LYS 13.922 1.092 9 5 "[ * +1 * .- * 2]"
2 120 HIS 62.913 1.727 15 15 "[* * * ***1****+- ***]"
2 121 ILE 24.291 0.819 14 11 "[* *-. * *1* +.*** *]"
2 122 ASP 9.178 1.274 17 4 "[ . * 1* -. + 2]"
2 123 ALA 28.385 1.793 18 7 "[* *. * 1 ** . *+ 2]"
2 124 TYR 53.321 1.840 8 16 "[* *** *+***** .***-*]"
2 125 LYS 11.112 0.762 3 5 "[ *+ . *1 - . * 2]"
2 126 THR 12.416 0.632 4 2 "[ - +. 1 . 2]"
2 127 PHE 47.884 1.576 18 11 "[ **-***1 * *.**+ 2]"
2 128 PRO 3.621 0.741 17 1 "[ . 1 . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 THR HA 1 11 THR HB . . 2.710 2.595 2.339 3.001 0.291 16 0 "[ . 1 . 2]" 1
2 1 11 THR HA 1 11 THR MG . . 3.390 2.501 2.127 3.301 . 0 0 "[ . 1 . 2]" 1
3 1 12 LYS HA 1 12 LYS HB3 . . 2.630 2.559 2.455 2.800 0.170 10 0 "[ . 1 . 2]" 1
4 1 12 LYS HA 1 12 LYS HG3 . . 3.050 2.770 2.217 3.407 0.357 19 0 "[ . 1 . 2]" 1
5 1 12 LYS HB3 1 13 LYS H . . 4.630 3.326 2.319 4.426 . 0 0 "[ . 1 . 2]" 1
6 1 13 LYS H 1 13 LYS HG3 . . 4.770 3.698 2.288 4.899 0.129 18 0 "[ . 1 . 2]" 1
7 1 13 LYS HA 1 13 LYS HB3 . . 3.000 2.633 2.400 3.067 0.067 18 0 "[ . 1 . 2]" 1
8 1 13 LYS HA 1 13 LYS HG3 . . 3.070 2.841 2.204 3.528 0.458 10 0 "[ . 1 . 2]" 1
9 1 13 LYS HB3 1 14 SER HA . . 4.540 4.489 4.135 4.866 0.326 3 0 "[ . 1 . 2]" 1
10 1 13 LYS HD3 1 13 LYS HE2 . . 2.430 2.436 2.264 2.644 0.214 18 0 "[ . 1 . 2]" 1
11 1 14 SER HA 1 14 SER HB2 . . 2.640 2.553 2.399 3.027 0.387 8 0 "[ . 1 . 2]" 1
12 1 14 SER HA 1 15 ALA MB . . 4.310 4.182 3.865 4.695 0.385 8 0 "[ . 1 . 2]" 1
13 1 15 ALA HA 1 18 ALA H . . 4.010 3.569 3.108 4.975 0.965 15 1 "[ . 1 + 2]" 1
14 1 15 ALA HA 1 18 ALA MB . . 3.200 3.232 2.118 4.797 1.597 15 2 "[ . - 1 + 2]" 1
15 1 16 ALA MB 1 17 GLU H . . 4.430 2.674 1.865 3.248 . 0 0 "[ . 1 . 2]" 1
16 1 16 ALA MB 1 18 ALA H . . 4.700 4.405 3.736 4.622 . 0 0 "[ . 1 . 2]" 1
17 1 17 GLU H 1 17 GLU HB2 . . 3.880 2.468 2.202 2.808 . 0 0 "[ . 1 . 2]" 1
18 1 17 GLU H 1 17 GLU HG2 . . 4.160 2.953 1.879 3.706 . 0 0 "[ . 1 . 2]" 1
19 1 17 GLU HA 1 17 GLU HG2 . . 3.030 2.720 2.344 3.399 0.369 15 0 "[ . 1 . 2]" 1
20 1 17 GLU HA 1 18 ALA MB . . 5.200 4.994 4.966 5.046 . 0 0 "[ . 1 . 2]" 1
21 1 17 GLU HB2 1 18 ALA H . . 3.950 3.130 2.566 3.493 . 0 0 "[ . 1 . 2]" 1
22 1 17 GLU HB2 1 18 ALA HA . . 4.550 4.473 4.025 4.738 0.188 16 0 "[ . 1 . 2]" 1
23 1 18 ALA H 1 18 ALA MB . . 3.440 2.240 2.180 2.282 . 0 0 "[ . 1 . 2]" 1
24 1 18 ALA MB 1 19 SER H . . 4.160 2.911 1.903 3.593 . 0 0 "[ . 1 . 2]" 1
25 1 18 ALA MB 1 19 SER HB2 . . 4.550 4.235 3.558 5.294 0.744 4 1 "[ +. 1 . 2]" 1
26 1 19 SER H 1 19 SER HB2 . . 3.830 2.935 2.080 3.933 0.103 17 0 "[ . 1 . 2]" 1
27 1 19 SER HA 1 19 SER HB2 . . 2.680 2.555 2.426 2.785 0.105 11 0 "[ . 1 . 2]" 1
28 1 19 SER HA 1 20 LYS H . . 3.550 2.510 2.188 3.606 0.056 19 0 "[ . 1 . 2]" 1
29 1 20 LYS H 1 20 LYS HB3 . . 4.010 3.235 2.341 4.082 0.072 15 0 "[ . 1 . 2]" 1
30 1 20 LYS H 1 20 LYS HG3 . . 4.940 3.493 1.911 4.640 . 0 0 "[ . 1 . 2]" 1
31 1 20 LYS HB3 1 21 LYS H . . 4.580 3.857 2.137 4.603 0.023 8 0 "[ . 1 . 2]" 1
32 1 20 LYS HG3 1 21 LYS H . . 5.400 4.355 3.384 5.224 . 0 0 "[ . 1 . 2]" 1
33 1 21 LYS H 1 21 LYS HB3 . . 3.720 3.639 3.342 3.858 0.138 20 0 "[ . 1 . 2]" 1
34 1 21 LYS H 1 22 PRO QD . . 4.920 4.417 4.260 4.543 . 0 0 "[ . 1 . 2]" 1
35 1 21 LYS HA 1 21 LYS HG3 . . 3.490 2.966 2.198 3.909 0.419 7 0 "[ . 1 . 2]" 1
36 1 21 LYS HA 1 22 PRO QD . . 3.220 2.226 2.084 2.360 . 0 0 "[ . 1 . 2]" 1
37 1 21 LYS HB3 1 22 PRO QD . . 3.410 2.331 2.072 2.713 . 0 0 "[ . 1 . 2]" 1
38 1 21 LYS HB3 1 22 PRO HG2 . . 4.040 4.030 3.665 4.411 0.371 19 0 "[ . 1 . 2]" 1
39 1 21 LYS HG3 1 22 PRO QD . . 3.900 3.591 2.237 4.586 0.686 3 2 "[ + . - 1 . 2]" 1
40 1 22 PRO HA 1 23 ARG H . . 3.430 2.209 2.110 2.296 . 0 0 "[ . 1 . 2]" 1
41 1 22 PRO HA 1 23 ARG QD . . 4.650 3.744 3.057 5.877 1.227 14 2 "[ . 1 +. - 2]" 1
42 1 22 PRO HA 1 25 LYS H . . 4.560 4.596 3.936 5.958 1.398 14 3 "[ . 1* +- 2]" 1
43 1 22 PRO HA 1 26 ARG H . . 5.500 5.857 3.696 6.664 1.164 6 11 "[ ***.+** * * .-* *]" 1
44 1 22 PRO HB2 1 23 ARG H . . 3.870 3.682 3.238 3.907 0.037 11 0 "[ . 1 . 2]" 1
45 1 23 ARG H 1 23 ARG HB3 . . 3.670 2.893 2.454 3.461 . 0 0 "[ . 1 . 2]" 1
46 1 23 ARG H 1 23 ARG QD . . 4.340 2.244 1.642 3.991 . 0 0 "[ . 1 . 2]" 1
47 1 23 ARG H 1 23 ARG HG2 . . 3.990 2.586 2.057 3.603 . 0 0 "[ . 1 . 2]" 1
48 1 23 ARG H 1 24 GLN H . . 3.790 2.781 2.475 3.182 . 0 0 "[ . 1 . 2]" 1
49 1 23 ARG H 1 25 LYS H . . 4.710 4.185 3.358 5.559 0.849 14 1 "[ . 1 +. 2]" 1
50 1 23 ARG H 1 26 ARG H . . 4.870 5.399 3.516 6.316 1.446 6 14 "[ ***.+**** * .**-**]" 1
51 1 23 ARG H 1 26 ARG HA . . 5.500 5.942 4.447 6.862 1.362 20 9 "[* ***-* * * . +]" 1
52 1 23 ARG HA 1 26 ARG H . . 5.400 4.605 3.528 6.135 0.735 14 1 "[ . 1 +. 2]" 1
53 1 23 ARG HB3 1 23 ARG QD . . 3.300 2.625 2.398 3.428 0.128 17 0 "[ . 1 . 2]" 1
54 1 23 ARG QD 1 24 GLN H . . 3.880 3.700 2.439 4.502 0.622 3 1 "[ + . 1 . 2]" 1
55 1 23 ARG HG2 1 24 GLN H . . 3.310 2.372 1.657 4.086 0.776 17 1 "[ . 1 . + 2]" 1
56 1 24 GLN H 1 25 LYS H . . 3.590 2.574 1.858 3.703 0.113 14 0 "[ . 1 . 2]" 1
57 1 24 GLN H 1 26 ARG H . . 4.210 4.315 2.995 4.827 0.617 4 7 "[ * +. * *1 * . * -]" 1
58 1 24 GLN H 2 73 PRO HA . . 5.390 5.345 4.988 6.129 0.739 14 1 "[ . 1 +. 2]" 1
59 1 24 GLN H 2 74 SER H . . 5.500 6.080 5.745 6.955 1.455 13 10 "[ ** ** 1 *+*.-* *2]" 1
60 1 24 GLN HA 2 73 PRO HA . . 4.340 3.377 2.600 4.603 0.263 15 0 "[ . 1 . 2]" 1
61 1 24 GLN HA 2 77 ALA MB . . 3.830 3.228 2.209 4.613 0.783 17 1 "[ . 1 . + 2]" 1
62 1 25 LYS H 1 25 LYS QD . . 3.770 3.595 2.154 4.613 0.843 15 3 "[ . 1 -*+ 2]" 1
63 1 25 LYS H 1 26 ARG H . . 3.660 2.799 2.170 3.436 . 0 0 "[ . 1 . 2]" 1
64 1 25 LYS H 1 26 ARG HA . . 4.610 4.476 3.954 5.532 0.922 14 2 "[ . 1 +- 2]" 1
65 1 25 LYS HA 1 25 LYS QD . . 4.000 2.896 2.241 4.250 0.250 14 0 "[ . 1 . 2]" 1
66 1 25 LYS HA 2 74 SER H . . 4.340 3.360 2.175 4.010 . 0 0 "[ . 1 . 2]" 1
67 1 25 LYS HA 2 76 SER QB . . 4.290 4.147 2.607 5.317 1.027 5 5 "[ +* * * . - 2]" 1
68 1 25 LYS HA 2 77 ALA MB . . 4.660 3.875 2.544 5.554 0.894 17 1 "[ . 1 . + 2]" 1
69 1 25 LYS QB 1 26 ARG H . . 4.750 3.898 3.078 4.032 . 0 0 "[ . 1 . 2]" 1
70 1 25 LYS QB 2 76 SER QB . . 5.390 5.320 3.159 6.609 1.219 12 7 "[ **-* 1 + . * *]" 1
71 1 25 LYS QD 2 73 PRO HA . . 4.780 3.707 2.810 5.555 0.775 15 2 "[ . 1 -+ 2]" 1
72 1 25 LYS QD 2 74 SER H . . 3.340 3.257 2.420 4.390 1.050 14 3 "[ . 1* +- 2]" 1
73 1 25 LYS QG 2 74 SER H . . 4.460 4.152 2.941 4.803 0.343 1 0 "[ . 1 . 2]" 1
74 1 26 ARG H 1 26 ARG QB . . 3.470 2.300 2.054 2.582 . 0 0 "[ . 1 . 2]" 1
75 1 26 ARG H 1 27 THR H . . 4.710 4.520 3.949 4.736 0.026 13 0 "[ . 1 . 2]" 1
76 1 26 ARG H 1 27 THR MG . . 5.090 4.633 4.254 5.141 0.051 15 0 "[ . 1 . 2]" 1
77 1 26 ARG H 1 38 PHE QE . . 4.930 4.740 3.712 5.786 0.856 5 3 "[ +- 1 . *2]" 1
78 1 26 ARG H 2 74 SER H . . 5.500 4.962 3.620 6.191 0.691 15 1 "[ . 1 + 2]" 1
79 1 26 ARG HA 1 27 THR H . . 3.540 2.268 2.110 2.433 . 0 0 "[ . 1 . 2]" 1
80 1 26 ARG HA 1 27 THR MG . . 4.200 3.989 3.164 4.423 0.223 9 0 "[ . 1 . 2]" 1
81 1 26 ARG HA 1 38 PHE QE . . 5.430 5.260 4.143 6.093 0.663 14 2 "[ . - 1 +. 2]" 1
82 1 26 ARG QB 1 37 ALA HA . . 5.500 4.948 3.433 6.520 1.020 16 1 "[ . 1 .+ 2]" 1
83 1 26 ARG QB 1 37 ALA MB . . 4.320 3.512 2.373 4.791 0.471 16 0 "[ . 1 . 2]" 1
84 1 26 ARG QB 1 38 PHE QE . . 4.900 3.085 2.229 4.991 0.091 15 0 "[ . 1 . 2]" 1
85 1 27 THR H 1 27 THR HB . . 3.850 3.665 3.392 3.857 0.007 7 0 "[ . 1 . 2]" 1
86 1 27 THR H 1 27 THR MG . . 4.070 3.074 2.343 3.461 . 0 0 "[ . 1 . 2]" 1
87 1 27 THR H 1 38 PHE QE . . 5.500 5.280 4.126 6.474 0.974 9 2 "[ . +1 -. 2]" 1
88 1 27 THR HA 1 27 THR MG . . 3.420 2.335 2.165 3.237 . 0 0 "[ . 1 . 2]" 1
89 1 27 THR HA 1 38 PHE QE . . 4.610 4.259 2.875 5.586 0.976 9 3 "[ . +1-* . 2]" 1
90 1 27 THR HA 1 60 THR MG . . 4.140 3.636 2.920 4.622 0.482 15 0 "[ . 1 . 2]" 1
91 1 27 THR HB 1 28 ALA H . . 4.490 3.154 2.623 3.941 . 0 0 "[ . 1 . 2]" 1
92 1 27 THR HB 1 28 ALA MB . . 5.030 4.861 4.509 5.260 0.230 11 0 "[ . 1 . 2]" 1
93 1 27 THR MG 1 38 PHE QE . . 5.500 5.187 4.505 6.109 0.609 12 1 "[ . 1 + . 2]" 1
94 1 27 THR MG 1 60 THR MG . . 3.580 3.028 1.911 4.066 0.486 18 0 "[ . 1 . 2]" 1
95 1 28 ALA H 1 28 ALA MB . . 3.670 2.369 2.180 2.680 . 0 0 "[ . 1 . 2]" 1
96 1 28 ALA H 1 29 THR HA . . 5.480 5.018 4.371 5.601 0.121 15 0 "[ . 1 . 2]" 1
97 1 28 ALA H 1 38 PHE QE . . 4.680 4.359 2.589 5.780 1.100 3 3 "[ -+ . *1 . 2]" 1
98 1 28 ALA H 1 60 THR MG . . 4.700 2.847 2.115 4.235 . 0 0 "[ . 1 . 2]" 1
99 1 28 ALA HA 1 29 THR H . . 3.440 2.308 2.130 2.397 . 0 0 "[ . 1 . 2]" 1
100 1 28 ALA HA 1 32 TYR QB . . 4.500 3.514 2.540 4.528 0.028 20 0 "[ . 1 . 2]" 1
101 1 28 ALA HA 1 34 VAL HA . . 4.880 4.395 3.113 5.297 0.417 2 0 "[ . 1 . 2]" 1
102 1 28 ALA HA 1 37 ALA MB . . 4.530 3.491 2.355 5.570 1.040 19 2 "[ .- 1 . +2]" 1
103 1 28 ALA MB 1 29 THR H . . 3.680 2.970 2.692 3.423 . 0 0 "[ . 1 . 2]" 1
104 1 28 ALA MB 1 32 TYR QB . . 4.360 3.744 2.425 5.209 0.849 20 2 "[ .- 1 . +]" 1
105 1 28 ALA MB 1 34 VAL H . . 5.070 3.936 3.118 4.891 . 0 0 "[ . 1 . 2]" 1
106 1 28 ALA MB 1 34 VAL HA . . 3.950 2.437 2.053 3.270 . 0 0 "[ . 1 . 2]" 1
107 1 28 ALA MB 1 34 VAL QG . . 3.500 2.024 1.832 2.327 . 0 0 "[ . 1 . 2]" 1
108 1 28 ALA MB 1 35 THR H . . 5.100 5.287 4.842 5.863 0.763 12 2 "[ . 1 + . -]" 1
109 1 28 ALA MB 1 37 ALA MB . . 4.220 2.635 2.064 4.958 0.738 19 2 "[ .- 1 . +2]" 1
110 1 28 ALA MB 1 38 PHE QE . . 4.130 3.322 2.039 5.149 1.019 9 1 "[ . +1 . 2]" 1
111 1 28 ALA MB 1 56 ILE HA . . 5.180 5.065 4.032 5.870 0.690 2 1 "[ + . 1 . 2]" 1
112 1 28 ALA MB 1 59 GLY QA . . 3.900 2.679 2.094 4.045 0.145 2 0 "[ . 1 . 2]" 1
113 1 28 ALA MB 1 60 THR H . . 4.230 3.669 3.004 4.521 0.291 2 0 "[ . 1 . 2]" 1
114 1 29 THR H 1 29 THR MG . . 4.150 3.743 3.038 4.009 . 0 0 "[ . 1 . 2]" 1
115 1 29 THR H 1 30 LYS H . . 4.710 4.453 4.360 4.698 . 0 0 "[ . 1 . 2]" 1
116 1 29 THR H 1 32 TYR H . . 3.920 3.613 2.953 4.094 0.174 16 0 "[ . 1 . 2]" 1
117 1 29 THR H 1 32 TYR QB . . 3.890 2.652 1.967 3.474 . 0 0 "[ . 1 . 2]" 1
118 1 29 THR H 1 33 ASN H . . 5.470 5.890 4.825 7.107 1.637 16 11 "[ * *.*** - ***.+ *]" 1
119 1 29 THR H 1 34 VAL H . . 5.500 6.072 5.085 7.185 1.685 16 9 "[ * . *-*1 ***.+* 2]" 1
120 1 29 THR HA 1 29 THR MG . . 2.740 2.351 2.210 2.573 . 0 0 "[ . 1 . 2]" 1
121 1 29 THR HA 1 60 THR MG . . 4.050 3.913 3.508 4.344 0.294 20 0 "[ . 1 . 2]" 1
122 1 29 THR HB 1 30 LYS QG . . 4.750 4.176 2.900 4.973 0.223 20 0 "[ . 1 . 2]" 1
123 1 29 THR HB 1 31 GLN QB . . 5.130 4.539 3.953 5.232 0.102 15 0 "[ . 1 . 2]" 1
124 1 29 THR HB 1 31 GLN QG . . 3.990 2.750 2.122 4.568 0.578 17 1 "[ . 1 . + 2]" 1
125 1 29 THR MG 1 30 LYS H . . 4.020 2.529 1.891 3.618 . 0 0 "[ . 1 . 2]" 1
126 1 29 THR MG 1 30 LYS QG . . 4.130 3.029 2.236 4.507 0.377 3 0 "[ . 1 . 2]" 1
127 1 29 THR MG 1 31 GLN H . . 4.520 3.194 2.321 4.415 . 0 0 "[ . 1 . 2]" 1
128 1 29 THR MG 1 32 TYR H . . 4.420 4.684 4.095 5.406 0.986 11 7 "[** . * 1+* - *2]" 1
129 1 29 THR MG 1 60 THR H . . 4.570 4.293 3.264 5.377 0.807 2 1 "[ + . 1 . 2]" 1
130 1 30 LYS H 1 30 LYS HB3 . . 3.600 2.436 2.278 2.664 . 0 0 "[ . 1 . 2]" 1
131 1 30 LYS H 1 30 LYS QG . . 3.790 2.295 1.895 2.612 . 0 0 "[ . 1 . 2]" 1
132 1 30 LYS H 1 31 GLN H . . 4.140 2.994 2.755 3.274 . 0 0 "[ . 1 . 2]" 1
133 1 30 LYS H 1 31 GLN QG . . 4.780 4.302 3.647 6.014 1.234 17 1 "[ . 1 . + 2]" 1
134 1 30 LYS H 1 32 TYR H . . 4.230 4.499 4.150 4.753 0.523 7 2 "[ . + 1 - . 2]" 1
135 1 30 LYS H 1 58 GLN HA . . 4.590 4.007 3.196 4.771 0.181 2 0 "[ . 1 . 2]" 1
136 1 30 LYS H 1 60 THR H . . 4.860 4.527 3.877 5.244 0.384 3 0 "[ . 1 . 2]" 1
137 1 30 LYS H 1 61 ASP H . . 4.850 4.200 3.661 5.171 0.321 3 0 "[ . 1 . 2]" 1
138 1 30 LYS H 1 61 ASP QB . . 4.390 3.705 2.687 4.716 0.326 3 0 "[ . 1 . 2]" 1
139 1 30 LYS HA 1 30 LYS QE . . 4.590 4.345 3.786 4.778 0.188 9 0 "[ . 1 . 2]" 1
140 1 30 LYS HA 1 30 LYS QG . . 3.750 3.418 3.351 3.553 . 0 0 "[ . 1 . 2]" 1
141 1 30 LYS HA 1 32 TYR H . . 4.560 3.744 3.416 3.923 . 0 0 "[ . 1 . 2]" 1
142 1 30 LYS HA 1 58 GLN H . . 4.950 4.915 4.508 5.199 0.249 2 0 "[ . 1 . 2]" 1
143 1 30 LYS HA 1 58 GLN HA . . 3.600 2.304 2.033 2.816 . 0 0 "[ . 1 . 2]" 1
144 1 30 LYS HA 1 58 GLN QG . . 3.850 3.881 3.329 4.738 0.888 18 2 "[ -. 1 . + 2]" 1
145 1 30 LYS HA 1 59 GLY H . . 5.010 4.706 4.117 5.263 0.253 17 0 "[ . 1 . 2]" 1
146 1 30 LYS HB3 1 30 LYS QE . . 3.540 2.954 1.942 3.677 0.137 9 0 "[ . 1 . 2]" 1
147 1 30 LYS HB3 1 61 ASP H . . 4.570 4.407 3.546 5.557 0.987 20 2 "[ - . 1 . +]" 1
148 1 30 LYS QG 1 31 GLN H . . 4.260 2.762 2.207 3.745 . 0 0 "[ . 1 . 2]" 1
149 1 30 LYS QG 1 31 GLN QG . . 3.970 3.665 2.107 4.834 0.864 16 3 "[ . 1 - .+* 2]" 1
150 1 30 LYS QG 1 58 GLN HA . . 5.250 4.453 3.945 5.294 0.044 12 0 "[ . 1 . 2]" 1
151 1 30 LYS QG 1 58 GLN QG . . 4.940 4.513 3.676 5.434 0.494 1 0 "[ . 1 . 2]" 1
152 1 31 GLN H 1 31 GLN QB . . 3.740 2.700 2.382 3.224 . 0 0 "[ . 1 . 2]" 1
153 1 31 GLN H 1 31 GLN QG . . 3.740 2.230 1.823 3.291 . 0 0 "[ . 1 . 2]" 1
154 1 31 GLN H 1 32 TYR H . . 3.640 2.554 2.062 3.008 . 0 0 "[ . 1 . 2]" 1
155 1 31 GLN H 1 32 TYR QB . . 5.290 4.073 3.455 4.670 . 0 0 "[ . 1 . 2]" 1
156 1 31 GLN HA 1 32 TYR H . . 3.540 3.355 2.969 3.521 . 0 0 "[ . 1 . 2]" 1
157 1 31 GLN QB 1 32 TYR H . . 4.200 3.941 3.551 4.117 . 0 0 "[ . 1 . 2]" 1
158 1 31 GLN QG 1 32 TYR H . . 3.840 3.236 2.350 4.318 0.478 19 0 "[ . 1 . 2]" 1
159 1 31 GLN QG 1 32 TYR QB . . 5.190 3.023 2.646 4.841 . 0 0 "[ . 1 . 2]" 1
160 1 32 TYR H 1 32 TYR QB . . 3.330 2.529 2.239 2.800 . 0 0 "[ . 1 . 2]" 1
161 1 32 TYR H 1 33 ASN H . . 4.600 4.365 3.488 4.495 . 0 0 "[ . 1 . 2]" 1
162 1 32 TYR QE 1 37 ALA H . . 4.280 3.206 2.500 4.328 0.048 6 0 "[ . 1 . 2]" 1
163 1 32 TYR QE 1 37 ALA HA . . 3.750 3.166 2.237 5.942 2.192 6 2 "[ .+ 1 . -2]" 1
164 1 32 TYR QE 1 37 ALA MB . . 3.490 2.857 2.184 3.855 0.365 10 0 "[ . 1 . 2]" 1
165 1 33 ASN H 1 34 VAL H . . 4.770 4.426 4.150 4.642 . 0 0 "[ . 1 . 2]" 1
166 1 33 ASN H 1 36 GLN QB . . 3.620 3.605 3.060 5.089 1.469 6 4 "[ * .+ 1 *. -2]" 1
167 1 33 ASN H 1 36 GLN HG2 . . 4.740 4.659 3.985 5.155 0.415 12 0 "[ . 1 . 2]" 1
168 1 34 VAL HA 1 36 GLN H . . 4.580 4.095 3.738 4.501 . 0 0 "[ . 1 . 2]" 1
169 1 34 VAL HA 1 37 ALA H . . 4.320 3.402 3.090 4.681 0.361 6 0 "[ . 1 . 2]" 1
170 1 34 VAL HA 1 37 ALA MB . . 4.270 2.900 2.051 4.761 0.491 6 0 "[ . 1 . 2]" 1
171 1 34 VAL HA 1 38 PHE H . . 4.290 4.228 3.819 5.258 0.968 10 3 "[ .* + -. 2]" 1
172 1 34 VAL HA 1 56 ILE HA . . 5.100 5.084 4.795 5.632 0.532 2 1 "[ + . 1 . 2]" 1
173 1 34 VAL HA 1 56 ILE MG . . 5.500 4.976 4.195 5.709 0.209 12 0 "[ . 1 . 2]" 1
174 1 34 VAL HB 1 35 THR H . . 3.880 2.773 2.389 2.999 . 0 0 "[ . 1 . 2]" 1
175 1 34 VAL HB 1 35 THR MG . . 4.070 3.492 3.143 3.947 . 0 0 "[ . 1 . 2]" 1
176 1 34 VAL HB 1 56 ILE H . . 5.110 4.883 4.522 5.452 0.342 16 0 "[ . 1 . 2]" 1
177 1 34 VAL HB 1 56 ILE HA . . 4.470 2.654 2.097 3.940 . 0 0 "[ . 1 . 2]" 1
178 1 34 VAL HB 1 56 ILE MD . . 5.360 4.961 4.458 5.441 0.081 9 0 "[ . 1 . 2]" 1
179 1 34 VAL HB 1 56 ILE MG . . 4.690 2.428 2.066 3.354 . 0 0 "[ . 1 . 2]" 1
180 1 34 VAL QG 1 37 ALA MB . . 4.610 3.374 2.925 4.593 . 0 0 "[ . 1 . 2]" 1
181 1 34 VAL QG 1 55 LEU HB3 . . 4.650 4.055 3.350 4.878 0.228 2 0 "[ . 1 . 2]" 1
182 1 34 VAL QG 1 55 LEU MD1 . . 4.250 3.275 2.695 3.850 . 0 0 "[ . 1 . 2]" 1
183 1 34 VAL QG 1 55 LEU HG . . 3.980 2.494 2.119 3.261 . 0 0 "[ . 1 . 2]" 1
184 1 34 VAL QG 1 56 ILE HA . . 3.540 2.116 1.959 2.441 . 0 0 "[ . 1 . 2]" 1
185 1 34 VAL QG 1 56 ILE HB . . 4.000 3.547 3.114 3.939 . 0 0 "[ . 1 . 2]" 1
186 1 34 VAL QG 1 57 ARG H . . 4.690 4.399 3.871 4.988 0.298 19 0 "[ . 1 . 2]" 1
187 1 34 VAL QG 1 59 GLY H . . 4.350 2.951 2.382 4.236 . 0 0 "[ . 1 . 2]" 1
188 1 34 VAL QG 1 59 GLY QA . . 3.600 2.304 1.965 3.298 . 0 0 "[ . 1 . 2]" 1
189 1 35 THR H 1 35 THR HB . . 3.650 3.511 3.396 3.597 . 0 0 "[ . 1 . 2]" 1
190 1 35 THR H 1 35 THR MG . . 3.590 2.264 2.055 2.589 . 0 0 "[ . 1 . 2]" 1
191 1 35 THR H 1 36 GLN H . . 3.660 2.807 2.655 3.139 . 0 0 "[ . 1 . 2]" 1
192 1 35 THR H 1 37 ALA H . . 4.360 4.317 3.889 5.358 0.998 6 2 "[ .+ 1 . -2]" 1
193 1 35 THR H 1 38 PHE H . . 5.050 4.991 4.742 5.442 0.392 19 0 "[ . 1 . 2]" 1
194 1 35 THR H 1 39 GLY H . . 4.920 5.522 4.976 6.632 1.712 6 14 "[*- **+**** ** .* * *]" 1
195 1 35 THR H 1 56 ILE MG . . 4.080 3.629 2.333 4.571 0.491 12 0 "[ . 1 . 2]" 1
196 1 35 THR HA 1 35 THR MG . . 3.020 2.306 2.217 2.420 . 0 0 "[ . 1 . 2]" 1
197 1 35 THR HA 1 38 PHE H . . 3.990 3.651 3.294 4.284 0.294 19 0 "[ . 1 . 2]" 1
198 1 35 THR HA 1 39 GLY H . . 3.400 2.974 2.382 3.981 0.581 6 1 "[ .+ 1 . 2]" 1
199 1 35 THR HA 1 39 GLY HA2 . . 4.910 4.314 3.878 5.020 0.110 10 0 "[ . 1 . 2]" 1
200 1 35 THR HB 1 36 GLN H . . 4.240 3.797 3.178 4.172 . 0 0 "[ . 1 . 2]" 1
201 1 35 THR HB 1 36 GLN HA . . 4.770 4.468 4.107 4.664 . 0 0 "[ . 1 . 2]" 1
202 1 35 THR HB 1 56 ILE MG . . 5.340 5.207 4.179 6.188 0.848 15 2 "[ . 1 +- 2]" 1
203 1 35 THR MG 1 36 GLN H . . 4.200 4.163 3.877 4.348 0.148 19 0 "[ . 1 . 2]" 1
204 1 35 THR MG 1 38 PHE H . . 5.270 5.322 5.022 5.807 0.537 19 1 "[ . 1 . +2]" 1
205 1 35 THR MG 1 39 GLY H . . 4.220 4.399 3.745 4.942 0.722 15 2 "[ . - 1 + 2]" 1
206 1 35 THR MG 1 39 GLY HA2 . . 5.430 5.135 3.608 5.789 0.359 8 0 "[ . 1 . 2]" 1
207 1 35 THR MG 1 41 ARG H . . 4.520 3.453 2.491 4.277 . 0 0 "[ . 1 . 2]" 1
208 1 35 THR MG 1 41 ARG HA . . 5.020 5.102 4.174 5.763 0.743 2 5 "[-+ ** 1 . *]" 1
209 1 36 GLN H 1 36 GLN QB . . 3.320 2.369 2.239 2.509 . 0 0 "[ . 1 . 2]" 1
210 1 36 GLN H 1 36 GLN HE21 . . 4.480 4.362 3.245 5.173 0.693 12 2 "[ . - + . 2]" 1
211 1 36 GLN H 1 36 GLN HE22 . . 5.490 5.536 4.707 6.120 0.630 12 1 "[ . 1 + . 2]" 1
212 1 36 GLN H 1 36 GLN HG2 . . 3.490 2.588 2.092 3.063 . 0 0 "[ . 1 . 2]" 1
213 1 36 GLN H 1 37 ALA H . . 3.470 2.500 2.318 3.015 . 0 0 "[ . 1 . 2]" 1
214 1 36 GLN H 1 37 ALA MB . . 4.370 4.226 4.060 4.676 0.306 19 0 "[ . 1 . 2]" 1
215 1 36 GLN H 1 38 PHE H . . 4.200 4.177 3.850 4.352 0.152 15 0 "[ . 1 . 2]" 1
216 1 36 GLN HA 1 36 GLN HG2 . . 2.990 2.969 2.758 3.184 0.194 20 0 "[ . 1 . 2]" 1
217 1 36 GLN QB 1 37 ALA H . . 3.390 2.776 2.254 3.007 . 0 0 "[ . 1 . 2]" 1
218 1 36 GLN QB 1 37 ALA HA . . 4.870 3.999 3.858 4.138 . 0 0 "[ . 1 . 2]" 1
219 1 36 GLN HE21 1 36 GLN HG2 . . 3.540 2.365 2.221 2.677 . 0 0 "[ . 1 . 2]" 1
220 1 36 GLN HE22 1 36 GLN HG2 . . 3.490 3.583 3.515 3.714 0.224 14 0 "[ . 1 . 2]" 1
221 1 36 GLN HG2 1 37 ALA H . . 4.790 4.569 4.195 4.936 0.146 11 0 "[ . 1 . 2]" 1
222 1 37 ALA H 1 37 ALA MB . . 3.370 2.257 2.180 2.398 . 0 0 "[ . 1 . 2]" 1
223 1 37 ALA H 1 38 PHE HA . . 5.110 5.296 5.085 5.486 0.376 9 0 "[ . 1 . 2]" 1
224 1 37 ALA H 1 39 GLY H . . 4.270 5.068 4.286 6.394 2.124 6 15 "[** **+*-** ** .*** *]" 1
225 1 37 ALA MB 1 38 PHE H . . 3.460 2.604 2.399 3.236 . 0 0 "[ . 1 . 2]" 1
226 1 37 ALA MB 1 39 GLY H . . 4.910 5.050 4.308 5.874 0.964 6 2 "[ .+ 1 . - 2]" 1
227 1 38 PHE H 1 38 PHE HB3 . . 4.100 3.710 3.480 3.862 . 0 0 "[ . 1 . 2]" 1
228 1 38 PHE H 1 39 GLY H . . 3.270 2.899 2.047 4.103 0.833 6 1 "[ .+ 1 . 2]" 1
229 1 38 PHE HB3 2 80 GLY QA . . 5.070 4.140 2.761 5.467 0.397 9 0 "[ . 1 . 2]" 1
230 1 38 PHE HB3 2 81 MET HA . . 5.300 4.791 4.204 5.066 . 0 0 "[ . 1 . 2]" 1
231 1 38 PHE HB3 2 81 MET HB2 . . 5.160 4.667 3.954 5.317 0.157 5 0 "[ . 1 . 2]" 1
232 1 38 PHE HB3 2 81 MET HG2 . . 4.410 4.226 3.035 5.224 0.814 5 4 "[ * + 1 .- * 2]" 1
233 1 38 PHE QE 2 77 ALA HA . . 4.270 3.449 2.222 5.438 1.168 17 2 "[ .- 1 . + 2]" 1
234 1 38 PHE QE 2 77 ALA MB . . 4.310 4.058 3.001 5.662 1.352 17 3 "[ .* 1 . + -2]" 1
235 1 39 GLY H 1 40 ARG H . . 4.550 4.101 2.423 4.380 . 0 0 "[ . 1 . 2]" 1
236 1 40 ARG HB3 1 41 ARG H . . 3.930 3.358 2.255 4.365 0.435 6 0 "[ . 1 . 2]" 1
237 1 41 ARG H 1 41 ARG HB3 . . 3.770 3.437 2.441 3.819 0.049 18 0 "[ . 1 . 2]" 1
238 1 41 ARG H 1 41 ARG HD2 . . 4.440 4.051 2.767 4.858 0.418 8 0 "[ . 1 . 2]" 1
239 1 41 ARG H 1 41 ARG HE . . 4.290 3.068 2.017 4.537 0.247 5 0 "[ . 1 . 2]" 1
240 1 41 ARG H 1 42 GLY H . . 4.630 4.585 4.026 4.728 0.098 11 0 "[ . 1 . 2]" 1
241 1 41 ARG HA 1 41 ARG HD2 . . 4.830 4.719 3.834 5.296 0.466 13 0 "[ . 1 . 2]" 1
242 1 41 ARG HA 1 41 ARG HE . . 4.130 3.847 2.030 5.171 1.041 16 7 "[ *-*. * .+** 2]" 1
243 1 41 ARG HB3 1 42 GLY H . . 3.840 3.214 2.108 4.169 0.329 19 0 "[ . 1 . 2]" 1
244 1 41 ARG HB3 1 49 ASN HA . . 5.500 4.711 2.499 6.275 0.775 19 2 "[- . 1 . +2]" 1
245 1 41 ARG HD2 1 56 ILE MD . . 4.580 4.369 3.589 4.576 . 0 0 "[ . 1 . 2]" 1
246 1 41 ARG HD2 1 56 ILE MG . . 5.500 4.509 3.681 5.730 0.230 11 0 "[ . 1 . 2]" 1
247 1 41 ARG HE 1 42 GLY H . . 4.360 4.925 3.161 6.139 1.779 2 11 "[ +* . * **- *.*** *]" 1
248 1 42 GLY H 1 44 GLU H . . 5.500 4.925 3.797 5.735 0.235 11 0 "[ . 1 . 2]" 1
249 1 42 GLY H 1 49 ASN H . . 5.500 5.083 4.218 6.405 0.905 5 2 "[ - + 1 . 2]" 1
250 1 42 GLY H 1 49 ASN HA . . 4.040 3.492 2.370 4.441 0.401 2 0 "[ . 1 . 2]" 1
251 1 42 GLY HA3 1 44 GLU H . . 4.350 3.411 3.116 4.018 . 0 0 "[ . 1 . 2]" 1
252 1 43 PRO QB 1 44 GLU H . . 3.640 3.557 2.895 4.112 0.472 1 0 "[ . 1 . 2]" 1
253 1 43 PRO HD3 1 44 GLU H . . 4.080 3.919 3.743 4.466 0.386 1 0 "[ . 1 . 2]" 1
254 1 43 PRO QG 1 44 GLU H . . 3.290 2.691 2.058 3.853 0.563 1 1 "[+ . 1 . 2]" 1
255 1 44 GLU H 1 44 GLU QB . . 3.220 2.251 2.015 2.942 . 0 0 "[ . 1 . 2]" 1
256 1 44 GLU H 1 44 GLU HG2 . . 3.540 3.704 2.530 4.525 0.985 10 5 "[ **. + .* -2]" 1
257 1 44 GLU H 1 45 GLN H . . 4.700 4.565 4.338 4.686 . 0 0 "[ . 1 . 2]" 1
258 1 44 GLU H 1 46 THR H . . 5.190 5.258 4.830 5.716 0.526 13 1 "[ . 1 + . 2]" 1
259 1 44 GLU H 1 47 GLN H . . 4.720 4.486 3.814 5.417 0.697 11 1 "[ . 1+ . 2]" 1
260 1 44 GLU H 1 47 GLN HB2 . . 4.300 3.652 2.800 4.454 0.154 11 0 "[ . 1 . 2]" 1
261 1 44 GLU H 1 47 GLN QE . . 4.400 4.952 3.470 5.933 1.533 4 10 "[- +.** ** * *. * *]" 1
262 1 44 GLU HA 1 44 GLU HG2 . . 2.960 2.630 2.252 3.002 0.042 11 0 "[ . 1 . 2]" 1
263 1 44 GLU HA 1 45 GLN H . . 3.110 2.215 1.990 2.384 . 0 0 "[ . 1 . 2]" 1
264 1 44 GLU QB 1 46 THR H . . 4.280 2.733 2.373 3.260 . 0 0 "[ . 1 . 2]" 1
265 1 44 GLU QB 1 47 GLN H . . 3.800 3.012 2.343 3.842 0.042 11 0 "[ . 1 . 2]" 1
266 1 44 GLU QB 1 47 GLN HA . . 5.460 4.799 4.324 5.268 . 0 0 "[ . 1 . 2]" 1
267 1 44 GLU QB 1 47 GLN QE . . 4.320 3.103 2.170 4.213 . 0 0 "[ . 1 . 2]" 1
268 1 44 GLU QB 1 47 GLN QG . . 3.840 2.031 1.870 2.329 . 0 0 "[ . 1 . 2]" 1
269 1 44 GLU QB 1 48 GLY H . . 5.500 4.928 4.017 6.308 0.808 4 1 "[ +. 1 . 2]" 1
270 1 45 GLN H 1 45 GLN HB2 . . 3.690 3.575 3.498 3.661 . 0 0 "[ . 1 . 2]" 1
271 1 45 GLN H 1 45 GLN QG . . 3.220 2.727 1.944 3.313 0.093 16 0 "[ . 1 . 2]" 1
272 1 45 GLN H 1 46 THR H . . 3.820 2.865 2.634 3.147 . 0 0 "[ . 1 . 2]" 1
273 1 45 GLN H 1 46 THR MG . . 4.490 4.298 3.937 4.833 0.343 16 0 "[ . 1 . 2]" 1
274 1 45 GLN H 1 47 GLN H . . 4.470 4.344 4.081 4.667 0.197 11 0 "[ . 1 . 2]" 1
275 1 45 GLN HA 1 45 GLN QG . . 3.620 3.508 3.371 3.619 . 0 0 "[ . 1 . 2]" 1
276 1 45 GLN HA 1 46 THR HA . . 4.870 4.807 4.630 4.900 0.030 14 0 "[ . 1 . 2]" 1
277 1 45 GLN HA 1 47 GLN H . . 4.240 3.822 3.536 4.118 . 0 0 "[ . 1 . 2]" 1
278 1 45 GLN HA 2 83 ARG QD . . 4.020 2.606 2.154 3.549 . 0 0 "[ . 1 . 2]" 1
279 1 45 GLN HB2 1 46 THR H . . 4.170 4.000 3.763 4.376 0.206 7 0 "[ . 1 . 2]" 1
280 1 45 GLN HB2 1 46 THR MG . . 4.450 4.414 4.135 4.756 0.306 17 0 "[ . 1 . 2]" 1
281 1 45 GLN HB2 2 83 ARG QD . . 4.070 3.284 2.248 4.172 0.102 6 0 "[ . 1 . 2]" 1
282 1 45 GLN QE 1 45 GLN QG . . 3.040 2.235 2.111 2.311 . 0 0 "[ . 1 . 2]" 1
283 1 45 GLN HE22 1 45 GLN QG . . 3.570 3.311 3.244 3.381 . 0 0 "[ . 1 . 2]" 1
284 1 45 GLN QG 1 46 THR H . . 4.100 2.599 2.019 3.352 . 0 0 "[ . 1 . 2]" 1
285 1 45 GLN QG 1 46 THR HA . . 4.130 3.728 3.391 3.995 . 0 0 "[ . 1 . 2]" 1
286 1 45 GLN QG 1 46 THR HB . . 5.140 4.910 4.618 5.252 0.112 17 0 "[ . 1 . 2]" 1
287 1 45 GLN QG 1 46 THR MG . . 4.120 2.415 2.211 2.796 . 0 0 "[ . 1 . 2]" 1
288 1 46 THR H 1 46 THR HB . . 4.120 3.498 3.398 3.651 . 0 0 "[ . 1 . 2]" 1
289 1 46 THR H 1 46 THR MG . . 3.820 2.394 2.000 2.869 . 0 0 "[ . 1 . 2]" 1
290 1 46 THR H 1 47 GLN H . . 3.370 2.640 2.218 3.100 . 0 0 "[ . 1 . 2]" 1
291 1 46 THR H 1 47 GLN QG . . 4.280 3.809 3.220 4.304 0.024 5 0 "[ . 1 . 2]" 1
292 1 46 THR H 1 48 GLY H . . 4.510 4.563 3.849 5.389 0.879 14 3 "[ . 1* +. - 2]" 1
293 1 46 THR HA 1 46 THR MG . . 3.040 2.324 2.194 2.445 . 0 0 "[ . 1 . 2]" 1
294 1 46 THR HB 1 47 GLN H . . 4.460 4.070 3.706 4.462 0.002 11 0 "[ . 1 . 2]" 1
295 1 46 THR MG 1 47 GLN H . . 4.110 4.254 4.032 4.425 0.315 20 0 "[ . 1 . 2]" 1
296 1 47 GLN H 1 47 GLN HB2 . . 3.240 2.551 2.305 3.025 . 0 0 "[ . 1 . 2]" 1
297 1 47 GLN H 1 47 GLN QE . . 4.630 3.886 2.732 4.944 0.314 5 0 "[ . 1 . 2]" 1
298 1 47 GLN H 1 47 GLN QG . . 3.680 2.396 1.846 2.726 . 0 0 "[ . 1 . 2]" 1
299 1 47 GLN H 1 48 GLY H . . 4.040 2.506 1.797 3.174 . 0 0 "[ . 1 . 2]" 1
300 1 47 GLN HA 1 47 GLN QG . . 3.520 3.043 2.754 3.366 . 0 0 "[ . 1 . 2]" 1
301 1 47 GLN HB2 1 48 GLY H . . 4.150 2.792 2.059 4.277 0.127 4 0 "[ . 1 . 2]" 1
302 1 47 GLN QG 1 48 GLY H . . 4.110 4.054 3.639 4.886 0.776 4 1 "[ +. 1 . 2]" 1
303 1 48 GLY H 1 49 ASN H . . 4.720 3.209 2.442 4.394 . 0 0 "[ . 1 . 2]" 1
304 1 48 GLY H 2 81 MET HA . . 5.070 4.361 2.608 4.873 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLY HA2 2 81 MET HA . . 4.220 2.957 2.129 4.228 0.008 20 0 "[ . 1 . 2]" 1
306 1 48 GLY HA2 2 83 ARG H . . 5.500 3.670 2.156 4.570 . 0 0 "[ . 1 . 2]" 1
307 1 49 ASN H 1 50 PHE H . . 4.540 2.780 1.953 3.151 . 0 0 "[ . 1 . 2]" 1
308 1 49 ASN HA 1 124 TYR QE . . 4.640 4.053 2.487 4.706 0.066 11 0 "[ . 1 . 2]" 1
309 1 49 ASN HB2 1 124 TYR QE . . 4.050 3.643 2.282 4.572 0.522 20 1 "[ . 1 . +]" 1
310 1 50 PHE H 1 124 TYR QE . . 5.500 5.697 4.359 6.820 1.320 4 9 "[ *+. * *- *.** *2]" 1
311 1 50 PHE H 2 84 ILE HG12 . . 5.500 5.070 2.812 6.405 0.905 1 2 "[+ . - 1 . 2]" 1
312 1 50 PHE HA 1 121 ILE HA . . 4.290 2.710 2.111 6.107 1.817 20 1 "[ . 1 . +]" 1
313 1 50 PHE HB3 1 121 ILE HA . . 5.170 4.592 2.318 6.048 0.878 14 1 "[ . 1 +. 2]" 1
314 1 50 PHE HB3 2 84 ILE HG12 . . 4.900 4.167 2.579 4.873 . 0 0 "[ . 1 . 2]" 1
315 1 51 GLY H 1 52 ASP H . . 4.760 3.376 2.728 4.337 . 0 0 "[ . 1 . 2]" 1
316 1 51 GLY H 1 120 HIS HA . . 4.580 3.447 2.929 5.480 0.900 20 1 "[ . 1 . +]" 1
317 1 51 GLY H 1 120 HIS HB3 . . 4.190 2.868 1.785 4.720 0.530 20 1 "[ . 1 . +]" 1
318 1 51 GLY H 1 123 ALA MB . . 4.870 3.463 2.868 4.742 . 0 0 "[ . 1 . 2]" 1
319 1 51 GLY HA2 1 120 HIS HB3 . . 4.830 3.613 2.395 4.860 0.030 5 0 "[ . 1 . 2]" 1
320 1 52 ASP H 1 54 ASP H . . 4.910 4.897 4.275 5.747 0.837 2 1 "[ + . 1 . 2]" 1
321 1 52 ASP H 1 55 LEU H . . 4.340 3.978 3.615 4.384 0.044 2 0 "[ . 1 . 2]" 1
322 1 52 ASP H 1 55 LEU HB3 . . 4.230 2.976 2.507 3.450 . 0 0 "[ . 1 . 2]" 1
323 1 52 ASP H 1 120 HIS HA . . 4.350 3.219 2.735 3.821 . 0 0 "[ . 1 . 2]" 1
324 1 52 ASP H 1 120 HIS HB3 . . 4.360 3.464 3.142 3.929 . 0 0 "[ . 1 . 2]" 1
325 1 52 ASP H 1 120 HIS HE1 . . 4.760 3.927 2.839 5.269 0.509 18 1 "[ . 1 . + 2]" 1
326 1 52 ASP H 1 123 ALA MB . . 4.850 3.795 3.513 4.377 . 0 0 "[ . 1 . 2]" 1
327 1 52 ASP H 1 127 PHE QE . . 4.910 5.303 4.886 5.810 0.900 20 7 "[ - * 1* * * *+]" 1
328 1 52 ASP HA 1 120 HIS HA . . 4.450 3.454 2.986 3.777 . 0 0 "[ . 1 . 2]" 1
329 1 52 ASP HA 1 123 ALA HA . . 4.780 4.429 3.852 5.648 0.868 20 1 "[ . 1 . +]" 1
330 1 52 ASP HA 1 123 ALA MB . . 3.940 2.089 1.892 2.914 . 0 0 "[ . 1 . 2]" 1
331 1 52 ASP HA 1 124 TYR QB . . 5.500 6.206 4.808 7.257 1.757 20 16 "[*** ** **** -*****+]" 1
332 1 52 ASP HA 1 127 PHE QE . . 4.260 2.730 2.271 3.488 . 0 0 "[ . 1 . 2]" 1
333 1 52 ASP HB2 1 54 ASP H . . 4.210 3.938 3.146 4.704 0.494 2 0 "[ . 1 . 2]" 1
334 1 53 GLN H 1 53 GLN HB2 . . 3.690 3.477 2.092 3.706 0.016 16 0 "[ . 1 . 2]" 1
335 1 53 GLN H 1 54 ASP H . . 3.380 2.756 2.541 2.896 . 0 0 "[ . 1 . 2]" 1
336 1 53 GLN H 1 56 ILE MD . . 4.650 4.742 4.362 5.411 0.761 15 2 "[ .- 1 + 2]" 1
337 1 53 GLN H 1 123 ALA HA . . 5.500 5.337 4.842 6.258 0.758 20 1 "[ . 1 . +]" 1
338 1 53 GLN H 1 123 ALA MB . . 3.540 3.303 2.987 3.751 0.211 20 0 "[ . 1 . 2]" 1
339 1 53 GLN H 1 127 PHE QE . . 3.160 2.426 2.032 3.080 . 0 0 "[ . 1 . 2]" 1
340 1 53 GLN HA 1 53 GLN QG . . 3.830 3.289 2.350 3.523 . 0 0 "[ . 1 . 2]" 1
341 1 53 GLN HA 1 56 ILE MD . . 3.920 2.483 2.207 2.991 . 0 0 "[ . 1 . 2]" 1
342 1 53 GLN HA 1 127 PHE QE . . 3.760 3.605 3.074 4.229 0.469 20 0 "[ . 1 . 2]" 1
343 1 53 GLN QE 1 127 PHE QE . . 4.110 3.074 2.081 4.243 0.133 4 0 "[ . 1 . 2]" 1
344 1 53 GLN QE 1 128 PRO QD . . 3.460 3.087 2.144 4.657 1.197 8 2 "[ . + 1 - . 2]" 1
345 1 53 GLN QG 1 54 ASP H . . 4.050 3.003 2.404 4.228 0.178 6 0 "[ . 1 . 2]" 1
346 1 53 GLN QG 1 54 ASP HB2 . . 5.090 4.290 3.096 5.301 0.211 6 0 "[ . 1 . 2]" 1
347 1 53 GLN QG 1 127 PHE QE . . 4.020 3.132 2.366 4.439 0.419 16 0 "[ . 1 . 2]" 1
348 1 54 ASP H 1 54 ASP HB2 . . 3.330 2.384 2.196 2.518 . 0 0 "[ . 1 . 2]" 1
349 1 54 ASP H 1 55 LEU H . . 3.550 2.297 2.103 2.499 . 0 0 "[ . 1 . 2]" 1
350 1 54 ASP H 1 56 ILE H . . 4.280 4.181 3.882 4.517 0.237 4 0 "[ . 1 . 2]" 1
351 1 54 ASP H 1 57 ARG H . . 5.080 4.881 4.571 5.293 0.213 10 0 "[ . 1 . 2]" 1
352 1 54 ASP H 1 127 PHE QE . . 5.380 4.988 4.730 5.398 0.018 16 0 "[ . 1 . 2]" 1
353 1 54 ASP HA 1 56 ILE H . . 5.030 4.646 4.475 4.864 . 0 0 "[ . 1 . 2]" 1
354 1 54 ASP HA 1 57 ARG H . . 4.350 3.479 3.122 3.988 . 0 0 "[ . 1 . 2]" 1
355 1 54 ASP HB2 1 55 LEU H . . 3.800 3.162 2.643 4.136 0.336 6 0 "[ . 1 . 2]" 1
356 1 55 LEU H 1 55 LEU HB3 . . 4.000 2.484 2.319 2.738 . 0 0 "[ . 1 . 2]" 1
357 1 55 LEU H 1 55 LEU HG . . 4.740 4.464 4.346 4.589 . 0 0 "[ . 1 . 2]" 1
358 1 55 LEU H 1 56 ILE H . . 3.960 2.736 2.505 2.925 . 0 0 "[ . 1 . 2]" 1
359 1 55 LEU H 1 56 ILE MG . . 4.770 4.313 4.007 5.164 0.394 11 0 "[ . 1 . 2]" 1
360 1 55 LEU H 1 57 ARG H . . 4.400 3.947 3.599 4.150 . 0 0 "[ . 1 . 2]" 1
361 1 55 LEU H 1 120 HIS HE1 . . 4.350 4.293 3.165 5.484 1.134 7 4 "[ - + 1 . **2]" 1
362 1 55 LEU HA 1 55 LEU MD1 . . 3.530 2.190 2.062 2.359 . 0 0 "[ . 1 . 2]" 1
363 1 55 LEU HA 1 55 LEU HG . . 3.810 3.152 2.932 3.353 . 0 0 "[ . 1 . 2]" 1
364 1 55 LEU HA 1 57 ARG H . . 4.640 3.981 3.837 4.278 . 0 0 "[ . 1 . 2]" 1
365 1 55 LEU HA 1 57 ARG HB3 . . 5.090 4.914 4.535 5.449 0.359 17 0 "[ . 1 . 2]" 1
366 1 55 LEU HA 1 58 GLN H . . 4.410 3.853 3.473 4.212 . 0 0 "[ . 1 . 2]" 1
367 1 55 LEU HA 1 59 GLY H . . 3.980 3.720 3.056 4.107 0.127 4 0 "[ . 1 . 2]" 1
368 1 55 LEU HA 1 59 GLY QA . . 5.470 4.317 3.534 5.131 . 0 0 "[ . 1 . 2]" 1
369 1 55 LEU HA 1 62 TYR HB3 . . 4.620 3.640 3.096 4.243 . 0 0 "[ . 1 . 2]" 1
370 1 55 LEU HA 1 120 HIS HE1 . . 4.150 4.090 3.447 4.734 0.584 7 1 "[ . + 1 . 2]" 1
371 1 55 LEU HA 1 120 HIS HE2 . . 5.500 5.373 4.200 5.960 0.460 1 0 "[ . 1 . 2]" 1
372 1 55 LEU HB3 1 56 ILE H . . 4.090 2.391 2.198 2.538 . 0 0 "[ . 1 . 2]" 1
373 1 55 LEU HB3 1 120 HIS HE1 . . 4.140 3.825 3.023 5.040 0.900 7 1 "[ . + 1 . 2]" 1
374 1 55 LEU MD1 1 59 GLY H . . 4.330 3.487 3.111 3.999 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU MD1 1 59 GLY QA . . 4.210 2.830 2.175 3.939 . 0 0 "[ . 1 . 2]" 1
376 1 55 LEU MD1 1 60 THR HA . . 4.900 4.415 3.893 4.887 . 0 0 "[ . 1 . 2]" 1
377 1 55 LEU MD1 1 62 TYR HB3 . . 3.810 2.766 2.357 3.755 . 0 0 "[ . 1 . 2]" 1
378 1 55 LEU MD1 1 65 TRP HA . . 4.790 4.166 3.595 5.168 0.378 6 0 "[ . 1 . 2]" 1
379 1 55 LEU MD1 1 65 TRP HE3 . . 3.900 2.523 2.055 3.833 . 0 0 "[ . 1 . 2]" 1
380 1 55 LEU MD1 1 120 HIS HE1 . . 4.010 2.677 2.180 3.507 . 0 0 "[ . 1 . 2]" 1
381 1 55 LEU MD1 1 120 HIS HE2 . . 5.010 4.597 4.051 5.493 0.483 13 0 "[ . 1 . 2]" 1
382 1 55 LEU HG 1 56 ILE H . . 4.370 3.496 3.068 4.054 . 0 0 "[ . 1 . 2]" 1
383 1 55 LEU HG 1 56 ILE MG . . 4.600 3.605 3.194 4.403 . 0 0 "[ . 1 . 2]" 1
384 1 55 LEU HG 1 59 GLY QA . . 4.720 3.395 3.011 4.093 . 0 0 "[ . 1 . 2]" 1
385 1 55 LEU HG 1 120 HIS HE1 . . 4.720 4.761 4.288 5.836 1.116 7 1 "[ . + 1 . 2]" 1
386 1 56 ILE H 1 56 ILE HB . . 3.830 3.648 3.599 3.679 . 0 0 "[ . 1 . 2]" 1
387 1 56 ILE H 1 56 ILE MD . . 3.680 3.740 3.648 3.938 0.258 15 0 "[ . 1 . 2]" 1
388 1 56 ILE H 1 56 ILE MG . . 3.790 2.214 2.036 2.801 . 0 0 "[ . 1 . 2]" 1
389 1 56 ILE H 1 57 ARG H . . 3.930 2.808 2.613 2.962 . 0 0 "[ . 1 . 2]" 1
390 1 56 ILE H 1 57 ARG HA . . 5.280 5.352 5.228 5.434 0.154 1 0 "[ . 1 . 2]" 1
391 1 56 ILE H 1 57 ARG HB3 . . 5.130 5.231 4.703 5.923 0.793 17 1 "[ . 1 . + 2]" 1
392 1 56 ILE H 1 59 GLY H . . 5.400 4.934 4.783 5.186 . 0 0 "[ . 1 . 2]" 1
393 1 56 ILE HA 1 59 GLY QA . . 5.500 4.137 3.693 4.527 . 0 0 "[ . 1 . 2]" 1
394 1 56 ILE MD 1 127 PHE QE . . 3.530 3.402 2.465 4.271 0.741 13 5 "[ . - 1 + * * *]" 1
395 1 56 ILE MG 1 57 ARG H . . 4.140 4.186 4.076 4.388 0.248 11 0 "[ . 1 . 2]" 1
396 1 57 ARG H 1 57 ARG HB3 . . 3.460 2.618 2.248 3.091 . 0 0 "[ . 1 . 2]" 1
397 1 57 ARG H 1 57 ARG HD2 . . 4.530 4.681 4.205 5.292 0.762 5 2 "[ + 1 -. 2]" 1
398 1 57 ARG H 1 58 GLN H . . 3.860 2.813 2.537 3.113 . 0 0 "[ . 1 . 2]" 1
399 1 57 ARG H 1 59 GLY H . . 4.230 4.044 3.804 4.306 0.076 4 0 "[ . 1 . 2]" 1
400 1 57 ARG HA 1 57 ARG HD2 . . 3.770 2.609 2.123 4.350 0.580 17 2 "[ .- 1 . + 2]" 1
401 1 57 ARG HA 1 57 ARG QG . . 3.890 2.814 2.232 3.179 . 0 0 "[ . 1 . 2]" 1
402 1 57 ARG HB3 1 57 ARG HD2 . . 3.810 3.761 2.887 4.062 0.252 5 0 "[ . 1 . 2]" 1
403 1 57 ARG HD2 1 57 ARG QG . . 2.640 2.355 2.228 2.449 . 0 0 "[ . 1 . 2]" 1
404 1 57 ARG HD2 1 58 GLN H . . 5.310 5.356 5.072 5.658 0.348 5 0 "[ . 1 . 2]" 1
405 1 57 ARG QG 1 58 GLN H . . 3.840 3.806 3.539 4.371 0.531 17 1 "[ . 1 . + 2]" 1
406 1 58 GLN H 1 58 GLN HB2 . . 3.470 2.738 2.424 2.898 . 0 0 "[ . 1 . 2]" 1
407 1 58 GLN H 1 58 GLN QE . . 4.510 4.722 3.998 5.205 0.695 18 5 "[ - ** *1 . + 2]" 1
408 1 58 GLN H 1 58 GLN QG . . 4.500 3.085 2.791 3.626 . 0 0 "[ . 1 . 2]" 1
409 1 58 GLN H 1 59 GLY H . . 3.680 2.195 2.039 2.484 . 0 0 "[ . 1 . 2]" 1
410 1 58 GLN H 1 59 GLY QA . . 5.500 4.108 3.861 4.358 . 0 0 "[ . 1 . 2]" 1
411 1 58 GLN H 1 61 ASP H . . 5.370 5.462 5.020 6.005 0.635 9 1 "[ . +1 . 2]" 1
412 1 58 GLN H 1 61 ASP QB . . 5.500 5.184 4.656 5.463 . 0 0 "[ . 1 . 2]" 1
413 1 58 GLN HA 1 58 GLN QG . . 3.770 2.339 2.131 2.660 . 0 0 "[ . 1 . 2]" 1
414 1 58 GLN HB2 1 58 GLN QE . . 4.120 2.797 2.170 3.747 . 0 0 "[ . 1 . 2]" 1
415 1 58 GLN HB2 1 59 GLY H . . 4.000 3.634 2.706 4.037 0.037 5 0 "[ . 1 . 2]" 1
416 1 58 GLN HB2 1 61 ASP QB . . 4.580 3.098 2.210 3.802 . 0 0 "[ . 1 . 2]" 1
417 1 58 GLN HB2 1 62 TYR H . . 4.570 3.611 3.321 4.132 . 0 0 "[ . 1 . 2]" 1
418 1 58 GLN HB2 1 62 TYR HB3 . . 5.500 4.719 4.052 5.334 . 0 0 "[ . 1 . 2]" 1
419 1 58 GLN QG 1 59 GLY H . . 5.110 4.551 4.172 4.749 . 0 0 "[ . 1 . 2]" 1
420 1 59 GLY H 1 60 THR H . . 4.530 4.568 4.296 4.730 0.200 4 0 "[ . 1 . 2]" 1
421 1 59 GLY H 1 61 ASP H . . 4.110 4.457 3.833 4.821 0.711 9 6 "[* -** +1* . 2]" 1
422 1 59 GLY H 1 62 TYR H . . 4.380 4.395 3.815 4.765 0.385 7 0 "[ . 1 . 2]" 1
423 1 59 GLY QA 1 60 THR MG . . 4.390 3.706 3.479 3.909 . 0 0 "[ . 1 . 2]" 1
424 1 59 GLY QA 1 61 ASP H . . 4.190 3.596 3.414 3.840 . 0 0 "[ . 1 . 2]" 1
425 1 60 THR H 1 60 THR MG . . 3.940 2.327 2.044 2.560 . 0 0 "[ . 1 . 2]" 1
426 1 60 THR H 1 61 ASP H . . 3.880 2.795 2.616 3.090 . 0 0 "[ . 1 . 2]" 1
427 1 60 THR HA 1 60 THR MG . . 3.330 2.325 2.213 2.402 . 0 0 "[ . 1 . 2]" 1
428 1 60 THR HA 1 62 TYR HB3 . . 4.850 4.419 3.895 4.920 0.070 19 0 "[ . 1 . 2]" 1
429 1 60 THR HA 1 65 TRP HD1 . . 4.260 3.529 2.726 4.140 . 0 0 "[ . 1 . 2]" 1
430 1 60 THR HA 1 65 TRP HE1 . . 4.310 3.545 3.032 4.361 0.051 1 0 "[ . 1 . 2]" 1
431 1 60 THR HB 1 65 TRP HD1 . . 4.480 3.840 3.258 4.545 0.065 15 0 "[ . 1 . 2]" 1
432 1 60 THR HB 1 65 TRP HE1 . . 4.320 3.575 2.663 4.623 0.303 18 0 "[ . 1 . 2]" 1
433 1 60 THR MG 1 65 TRP HD1 . . 4.280 4.005 3.167 4.667 0.387 16 0 "[ . 1 . 2]" 1
434 1 60 THR MG 1 65 TRP HE1 . . 4.180 2.611 2.327 3.009 . 0 0 "[ . 1 . 2]" 1
435 1 61 ASP H 1 61 ASP QB . . 3.670 2.243 2.099 2.383 . 0 0 "[ . 1 . 2]" 1
436 1 61 ASP QB 1 62 TYR H . . 4.310 3.536 3.234 3.818 . 0 0 "[ . 1 . 2]" 1
437 1 62 TYR H 1 62 TYR HB3 . . 3.610 2.310 2.172 2.575 . 0 0 "[ . 1 . 2]" 1
438 1 62 TYR H 1 65 TRP H . . 5.100 4.875 4.443 5.346 0.246 1 0 "[ . 1 . 2]" 1
439 1 62 TYR H 1 65 TRP HD1 . . 5.400 5.373 4.961 5.913 0.513 1 1 "[+ . 1 . 2]" 1
440 1 62 TYR H 1 65 TRP HE3 . . 5.500 5.227 4.189 5.928 0.428 1 0 "[ . 1 . 2]" 1
441 1 62 TYR HB3 1 65 TRP H . . 4.570 3.854 3.219 4.482 . 0 0 "[ . 1 . 2]" 1
442 1 62 TYR HB3 1 65 TRP HA . . 4.670 4.136 3.517 5.089 0.419 1 0 "[ . 1 . 2]" 1
443 1 62 TYR HB3 1 65 TRP HE3 . . 4.460 3.740 2.956 4.439 . 0 0 "[ . 1 . 2]" 1
444 1 63 LYS H 1 63 LYS HG3 . . 4.760 3.809 2.586 4.485 . 0 0 "[ . 1 . 2]" 1
445 1 63 LYS HA 1 63 LYS QD . . 3.740 3.381 2.221 4.024 0.284 1 0 "[ . 1 . 2]" 1
446 1 63 LYS HA 1 63 LYS QE . . 4.290 2.844 1.944 4.586 0.296 1 0 "[ . 1 . 2]" 1
447 1 63 LYS HA 1 63 LYS HG3 . . 3.730 3.612 3.034 3.777 0.047 20 0 "[ . 1 . 2]" 1
448 1 63 LYS HA 1 64 HIS HA . . 4.510 4.469 4.230 4.630 0.120 11 0 "[ . 1 . 2]" 1
449 1 63 LYS HA 1 65 TRP H . . 4.190 3.694 3.237 4.281 0.091 11 0 "[ . 1 . 2]" 1
450 1 63 LYS QB 1 63 LYS QD . . 3.140 2.311 2.012 2.529 . 0 0 "[ . 1 . 2]" 1
451 1 63 LYS QB 1 63 LYS QE . . 4.550 3.075 2.187 3.831 . 0 0 "[ . 1 . 2]" 1
452 1 63 LYS QB 1 64 HIS HA . . 5.400 4.373 3.753 5.002 . 0 0 "[ . 1 . 2]" 1
453 1 63 LYS QB 1 64 HIS HD2 . . 4.060 2.796 2.212 4.517 0.457 7 0 "[ . 1 . 2]" 1
454 1 63 LYS QB 1 64 HIS HE1 . . 4.550 4.953 3.503 6.170 1.620 5 8 "[- + * *** ** 2]" 1
455 1 63 LYS QB 1 65 TRP H . . 5.500 4.511 4.344 4.834 . 0 0 "[ . 1 . 2]" 1
456 1 63 LYS QD 1 64 HIS HD2 . . 4.620 4.016 2.398 5.612 0.992 6 2 "[ .+ 1 . - 2]" 1
457 1 63 LYS QD 1 64 HIS HE1 . . 3.640 4.265 2.751 5.701 2.061 17 11 "[* *. - * ** .*+***]" 1
458 1 63 LYS QE 1 64 HIS HE1 . . 4.930 5.061 2.782 6.215 1.285 4 7 "[*- +. 1 * ** * 2]" 1
459 1 64 HIS HA 1 66 PRO HD3 . . 5.000 5.037 4.782 5.221 0.221 15 0 "[ . 1 . 2]" 1
460 1 64 HIS HA 1 66 PRO HG2 . . 4.600 4.096 3.765 4.541 . 0 0 "[ . 1 . 2]" 1
461 1 64 HIS HA 1 67 GLN H . . 4.050 3.346 3.103 3.630 . 0 0 "[ . 1 . 2]" 1
462 1 64 HIS HA 1 67 GLN HB2 . . 4.020 2.873 2.375 4.048 0.028 14 0 "[ . 1 . 2]" 1
463 1 64 HIS HA 1 116 LEU QD . . 5.500 3.873 3.711 4.185 . 0 0 "[ . 1 . 2]" 1
464 1 64 HIS HB3 1 67 GLN HA . . 5.420 5.291 4.956 5.667 0.247 1 0 "[ . 1 . 2]" 1
465 1 64 HIS HB3 1 67 GLN HB2 . . 3.910 2.869 2.534 3.370 . 0 0 "[ . 1 . 2]" 1
466 1 64 HIS HB3 1 116 LEU QD . . 3.840 2.117 1.982 2.533 . 0 0 "[ . 1 . 2]" 1
467 1 64 HIS HD2 1 116 LEU QD . . 3.820 3.081 2.150 4.085 0.265 5 0 "[ . 1 . 2]" 1
468 1 64 HIS HD2 1 120 HIS HE2 . . 5.500 5.660 3.457 6.415 0.915 9 10 "[ * * +* ***.* -*]" 1
469 1 65 TRP H 1 65 TRP HD1 . . 4.800 4.912 4.761 5.101 0.301 3 0 "[ . 1 . 2]" 1
470 1 65 TRP H 1 66 PRO HD3 . . 3.780 3.574 3.395 3.743 . 0 0 "[ . 1 . 2]" 1
471 1 65 TRP H 1 68 ILE MD . . 4.550 4.439 4.143 5.100 0.550 6 2 "[ - .+ 1 . 2]" 1
472 1 65 TRP H 1 116 LEU QD . . 5.500 4.731 4.421 5.133 . 0 0 "[ . 1 . 2]" 1
473 1 65 TRP HA 1 65 TRP HE3 . . 4.150 2.601 2.194 3.060 . 0 0 "[ . 1 . 2]" 1
474 1 65 TRP HA 1 68 ILE H . . 4.410 4.007 3.823 4.191 . 0 0 "[ . 1 . 2]" 1
475 1 65 TRP HA 1 68 ILE HB . . 4.680 4.145 3.835 4.676 . 0 0 "[ . 1 . 2]" 1
476 1 65 TRP HA 1 68 ILE MD . . 4.150 2.652 2.302 3.592 . 0 0 "[ . 1 . 2]" 1
477 1 65 TRP HA 1 68 ILE QG . . 5.210 4.573 3.702 5.249 0.039 7 0 "[ . 1 . 2]" 1
478 1 65 TRP HA 1 68 ILE MG . . 5.500 5.331 5.046 5.823 0.323 7 0 "[ . 1 . 2]" 1
479 1 65 TRP HE3 1 68 ILE MD . . 3.870 3.611 2.556 5.164 1.294 2 1 "[ + . 1 . 2]" 1
480 1 66 PRO HA 1 68 ILE H . . 4.230 3.837 3.468 4.731 0.501 7 1 "[ . + 1 . 2]" 1
481 1 66 PRO HA 1 68 ILE HB . . 4.820 4.855 4.523 5.541 0.721 7 1 "[ . + 1 . 2]" 1
482 1 66 PRO HA 1 68 ILE MD . . 5.170 5.018 4.533 5.751 0.581 6 2 "[ .+ 1 . -]" 1
483 1 66 PRO HA 1 69 ALA H . . 3.790 3.166 2.988 3.404 . 0 0 "[ . 1 . 2]" 1
484 1 66 PRO HA 1 69 ALA MB . . 3.950 2.351 2.056 2.667 . 0 0 "[ . 1 . 2]" 1
485 1 66 PRO HB2 1 67 GLN H . . 3.830 3.888 3.703 3.986 0.156 12 0 "[ . 1 . 2]" 1
486 1 66 PRO HB2 1 68 ILE H . . 5.360 5.385 5.077 6.158 0.798 7 1 "[ . + 1 . 2]" 1
487 1 66 PRO HD3 1 67 GLN H . . 4.070 4.099 3.992 4.241 0.171 5 0 "[ . 1 . 2]" 1
488 1 67 GLN H 1 67 GLN HB2 . . 3.020 2.284 2.154 2.599 . 0 0 "[ . 1 . 2]" 1
489 1 67 GLN H 1 67 GLN HG2 . . 4.770 4.440 3.314 4.569 . 0 0 "[ . 1 . 2]" 1
490 1 67 GLN H 1 68 ILE HB . . 5.030 4.812 4.574 5.051 0.021 7 0 "[ . 1 . 2]" 1
491 1 67 GLN H 1 68 ILE MD . . 4.150 3.549 3.179 4.892 0.742 6 2 "[ .+ 1 . -]" 1
492 1 67 GLN H 1 69 ALA H . . 4.600 4.307 3.926 4.760 0.160 6 0 "[ . 1 . 2]" 1
493 1 67 GLN HA 1 67 GLN HG2 . . 3.740 2.804 2.263 3.160 . 0 0 "[ . 1 . 2]" 1
494 1 67 GLN HA 1 68 ILE MD . . 5.500 4.745 4.286 6.217 0.717 20 2 "[ .- 1 . +]" 1
495 1 67 GLN HA 1 70 GLN H . . 3.690 3.621 3.304 3.962 0.272 6 0 "[ . 1 . 2]" 1
496 1 67 GLN HA 1 70 GLN QE . . 3.750 2.932 2.409 4.046 0.296 3 0 "[ . 1 . 2]" 1
497 1 67 GLN HA 1 70 GLN HG2 . . 4.570 3.455 2.274 4.281 . 0 0 "[ . 1 . 2]" 1
498 1 67 GLN HB2 1 68 ILE H . . 4.120 3.890 3.146 4.129 0.009 11 0 "[ . 1 . 2]" 1
499 1 67 GLN HB2 1 70 GLN QE . . 4.960 4.374 3.733 5.647 0.687 3 1 "[ + . 1 . 2]" 1
500 1 67 GLN QE 1 67 GLN HG2 . . 3.000 2.310 2.190 3.124 0.124 14 0 "[ . 1 . 2]" 1
501 1 67 GLN QE 1 112 ASP HB2 . . 3.490 3.801 2.668 4.375 0.885 10 8 "[ * . *+ -** * *2]" 1
502 1 67 GLN QE 1 113 ASN H . . 4.550 3.749 2.685 4.764 0.214 14 0 "[ . 1 . 2]" 1
503 1 67 GLN QE 1 113 ASN HA . . 3.500 2.713 2.177 3.584 0.084 14 0 "[ . 1 . 2]" 1
504 1 67 GLN QE 1 113 ASN QD . . 3.560 3.053 1.988 4.001 0.441 15 0 "[ . 1 . 2]" 1
505 1 67 GLN QE 1 116 LEU QB . . 3.950 3.216 2.461 4.263 0.313 7 0 "[ . 1 . 2]" 1
506 1 67 GLN HG2 1 70 GLN QE . . 3.990 2.535 2.043 3.758 . 0 0 "[ . 1 . 2]" 1
507 1 67 GLN HG2 1 113 ASN QD . . 3.980 3.407 2.209 4.738 0.758 7 3 "[ . +* 1 -. 2]" 1
508 1 68 ILE H 1 68 ILE HB . . 3.600 2.427 2.277 2.640 . 0 0 "[ . 1 . 2]" 1
509 1 68 ILE H 1 68 ILE MD . . 3.580 2.302 1.803 3.644 0.064 6 0 "[ . 1 . 2]" 1
510 1 68 ILE H 1 68 ILE MG . . 4.040 3.765 3.671 3.829 . 0 0 "[ . 1 . 2]" 1
511 1 68 ILE H 1 69 ALA H . . 3.450 2.459 2.245 2.788 . 0 0 "[ . 1 . 2]" 1
512 1 68 ILE H 1 69 ALA HA . . 5.330 5.071 4.899 5.384 0.054 8 0 "[ . 1 . 2]" 1
513 1 68 ILE H 1 70 GLN H . . 3.790 3.853 3.614 4.161 0.371 7 0 "[ . 1 . 2]" 1
514 1 68 ILE H 1 70 GLN QE . . 5.430 5.078 4.398 6.462 1.032 3 3 "[ + * 1 . -2]" 1
515 1 68 ILE H 1 71 PHE QE . . 4.830 5.142 4.763 5.501 0.671 13 5 "[ * . *1 + -* 2]" 1
516 1 68 ILE HA 1 68 ILE MD . . 3.810 3.313 2.507 3.917 0.107 20 0 "[ . 1 . 2]" 1
517 1 68 ILE HA 1 68 ILE QG . . 3.680 2.423 2.318 2.502 . 0 0 "[ . 1 . 2]" 1
518 1 68 ILE HA 1 69 ALA MB . . 5.080 5.050 5.013 5.101 0.021 6 0 "[ . 1 . 2]" 1
519 1 68 ILE HA 1 70 GLN H . . 4.210 4.148 3.840 4.455 0.245 13 0 "[ . 1 . 2]" 1
520 1 68 ILE HA 1 71 PHE QE . . 3.760 2.419 2.121 3.345 . 0 0 "[ . 1 . 2]" 1
521 1 68 ILE HB 1 69 ALA H . . 3.650 2.451 2.200 2.724 . 0 0 "[ . 1 . 2]" 1
522 1 68 ILE HB 1 69 ALA MB . . 4.380 3.936 3.726 4.214 . 0 0 "[ . 1 . 2]" 1
523 1 68 ILE HB 1 70 GLN H . . 4.850 4.981 4.771 5.136 0.286 1 0 "[ . 1 . 2]" 1
524 1 68 ILE MD 1 68 ILE MG . . 3.970 3.061 2.102 3.270 . 0 0 "[ . 1 . 2]" 1
525 1 68 ILE MD 1 116 LEU QB . . 4.850 4.111 3.737 4.486 . 0 0 "[ . 1 . 2]" 1
526 1 68 ILE MD 1 116 LEU QD . . 3.940 2.058 1.950 2.470 . 0 0 "[ . 1 . 2]" 1
527 1 68 ILE MD 1 116 LEU HG . . 4.040 2.817 2.290 3.451 . 0 0 "[ . 1 . 2]" 1
528 1 68 ILE MD 1 120 HIS HE1 . . 4.740 4.171 2.951 5.425 0.685 10 1 "[ . + . 2]" 1
529 1 68 ILE MD 1 120 HIS HE2 . . 5.380 4.513 3.898 4.789 . 0 0 "[ . 1 . 2]" 1
530 1 68 ILE MG 1 69 ALA H . . 4.170 3.193 2.752 3.548 . 0 0 "[ . 1 . 2]" 1
531 1 68 ILE MG 1 69 ALA HA . . 4.560 3.430 3.166 3.669 . 0 0 "[ . 1 . 2]" 1
532 1 68 ILE MG 1 71 PHE QE . . 3.940 3.186 2.422 4.822 0.882 13 1 "[ . 1 + . 2]" 1
533 1 68 ILE MG 1 72 ALA MB . . 4.500 3.496 2.966 4.105 . 0 0 "[ . 1 . 2]" 1
534 1 68 ILE MG 2 79 PHE HA . . 4.420 4.789 4.375 5.373 0.953 7 6 "[- ** + *1 * . 2]" 1
535 1 68 ILE MG 2 79 PHE QE . . 4.010 2.849 2.392 3.323 . 0 0 "[ . 1 . 2]" 1
536 1 69 ALA H 1 69 ALA MB . . 3.290 2.200 2.149 2.248 . 0 0 "[ . 1 . 2]" 1
537 1 69 ALA H 1 70 GLN H . . 3.290 2.954 2.800 3.169 . 0 0 "[ . 1 . 2]" 1
538 1 69 ALA H 1 71 PHE H . . 4.460 4.742 4.532 5.110 0.650 1 2 "[+ - . 1 . 2]" 1
539 1 69 ALA H 1 72 ALA H . . 5.340 5.178 4.905 5.692 0.352 9 0 "[ . 1 . 2]" 1
540 1 69 ALA H 2 75 ALA MB . . 4.940 4.540 3.767 5.498 0.558 5 1 "[ + 1 . 2]" 1
541 1 69 ALA H 2 79 PHE QE . . 5.160 5.499 4.425 6.358 1.198 17 8 "[ . - ** *. +***]" 1
542 1 69 ALA HA 1 71 PHE H . . 3.860 3.959 3.668 4.789 0.929 1 1 "[+ . 1 . 2]" 1
543 1 69 ALA HA 1 72 ALA H . . 3.880 3.187 2.918 3.576 . 0 0 "[ . 1 . 2]" 1
544 1 69 ALA HA 1 72 ALA MB . . 4.320 2.273 2.031 2.705 . 0 0 "[ . 1 . 2]" 1
545 1 69 ALA HA 2 75 ALA MB . . 4.400 2.745 2.040 3.636 . 0 0 "[ . 1 . 2]" 1
546 1 69 ALA HA 2 79 PHE QE . . 3.360 4.012 2.813 5.115 1.755 11 12 "[*-* .** *+ *. ****]" 1
547 1 69 ALA MB 1 70 GLN H . . 3.470 2.925 2.743 3.084 . 0 0 "[ . 1 . 2]" 1
548 1 69 ALA MB 1 71 PHE H . . 4.540 4.613 4.397 5.021 0.481 1 0 "[ . 1 . 2]" 1
549 1 69 ALA MB 1 72 ALA H . . 4.120 4.345 4.199 4.665 0.545 19 1 "[ . 1 . +2]" 1
550 1 69 ALA MB 2 75 ALA MB . . 4.050 2.841 2.020 3.713 . 0 0 "[ . 1 . 2]" 1
551 1 69 ALA MB 2 79 PHE QE . . 4.680 5.273 4.228 6.160 1.480 11 12 "[*** . * *+ *.-****]" 1
552 1 70 GLN H 1 70 GLN HB2 . . 3.450 3.555 3.409 3.711 0.261 19 0 "[ . 1 . 2]" 1
553 1 70 GLN H 1 70 GLN QE . . 4.490 4.346 3.673 5.084 0.594 5 2 "[ - + 1 . 2]" 1
554 1 70 GLN H 1 70 GLN HG2 . . 3.290 2.715 1.964 3.265 . 0 0 "[ . 1 . 2]" 1
555 1 70 GLN H 1 71 PHE H . . 3.330 2.903 2.643 3.033 . 0 0 "[ . 1 . 2]" 1
556 1 70 GLN H 1 72 ALA H . . 4.140 4.152 3.897 4.512 0.372 9 0 "[ . 1 . 2]" 1
557 1 70 GLN HA 1 70 GLN HG2 . . 3.900 3.800 3.697 3.881 . 0 0 "[ . 1 . 2]" 1
558 1 70 GLN HA 1 71 PHE HB3 . . 5.500 5.306 5.114 5.654 0.154 1 0 "[ . 1 . 2]" 1
559 1 70 GLN HB2 1 70 GLN QE . . 4.430 4.016 3.641 4.189 . 0 0 "[ . 1 . 2]" 1
560 1 70 GLN HB2 1 71 PHE H . . 4.230 4.208 3.396 4.509 0.279 5 0 "[ . 1 . 2]" 1
561 1 70 GLN QE 1 71 PHE H . . 4.510 4.635 3.867 5.379 0.869 5 2 "[ + 1 - 2]" 1
562 1 70 GLN QE 1 71 PHE QE . . 3.990 4.584 2.972 6.916 2.926 19 13 "[ **** **** -** *+2]" 1
563 1 70 GLN QE 1 113 ASN HA . . 5.500 5.112 4.197 6.573 1.073 19 1 "[ . 1 . +2]" 1
564 1 70 GLN QE 1 113 ASN QD . . 3.630 2.414 1.855 3.408 . 0 0 "[ . 1 . 2]" 1
565 1 70 GLN HG2 1 71 PHE H . . 3.580 2.805 2.495 3.246 . 0 0 "[ . 1 . 2]" 1
566 1 70 GLN HG2 1 71 PHE HB3 . . 4.540 3.513 2.721 4.857 0.317 1 0 "[ . 1 . 2]" 1
567 1 71 PHE H 1 71 PHE HB3 . . 3.800 2.960 2.604 3.166 . 0 0 "[ . 1 . 2]" 1
568 1 71 PHE H 1 71 PHE QE . . 4.140 4.304 4.021 4.546 0.406 19 0 "[ . 1 . 2]" 1
569 1 71 PHE H 1 72 ALA H . . 3.210 2.225 1.976 2.644 . 0 0 "[ . 1 . 2]" 1
570 1 71 PHE H 1 72 ALA MB . . 3.860 3.846 3.661 4.284 0.424 1 0 "[ . 1 . 2]" 1
571 1 71 PHE H 2 79 PHE QE . . 4.500 4.850 3.721 5.509 1.009 20 8 "[* -. * ** . **+]" 1
572 1 71 PHE QE 1 101 ILE MG . . 4.670 4.514 3.403 5.672 1.002 1 3 "[+ . 1 * . -]" 1
573 1 71 PHE QE 1 103 LEU HA . . 3.860 4.072 3.117 5.603 1.743 1 6 "[+ .*-* 1 . * *]" 1
574 1 71 PHE QE 1 103 LEU QD . . 3.520 3.161 2.418 4.129 0.609 1 1 "[+ . 1 . 2]" 1
575 1 71 PHE QE 1 103 LEU HG . . 3.030 3.109 2.216 4.798 1.768 20 5 "[* .** 1 . - +]" 1
576 1 71 PHE QE 1 104 ASP H . . 4.840 4.969 4.162 5.793 0.953 1 7 "[+ .*** 1 . * *-]" 1
577 1 71 PHE QE 1 116 LEU QB . . 5.500 5.763 4.784 6.364 0.864 16 8 "[ * . **** -+ *2]" 1
578 1 71 PHE QE 1 117 LEU QD . . 3.750 2.544 2.085 3.490 . 0 0 "[ . 1 . 2]" 1
579 1 71 PHE QE 1 117 LEU HG . . 4.540 4.191 3.667 5.160 0.620 13 1 "[ . 1 + . 2]" 1
580 1 72 ALA H 1 72 ALA MB . . 3.440 2.216 2.185 2.246 . 0 0 "[ . 1 . 2]" 1
581 1 72 ALA H 2 79 PHE QE . . 3.810 3.762 3.019 4.068 0.258 10 0 "[ . 1 . 2]" 1
582 1 72 ALA HA 1 73 PRO HG2 . . 4.680 4.538 4.363 4.722 0.042 8 0 "[ . 1 . 2]" 1
583 1 72 ALA HA 2 75 ALA MB . . 4.630 4.343 4.112 4.724 0.094 18 0 "[ . 1 . 2]" 1
584 1 72 ALA HA 2 78 PHE QE . . 4.630 4.671 3.697 5.201 0.571 20 3 "[ . * - . +]" 1
585 1 72 ALA HA 2 79 PHE QE . . 3.660 2.361 2.053 3.157 . 0 0 "[ . 1 . 2]" 1
586 1 72 ALA MB 2 75 ALA HA . . 3.960 2.882 2.379 3.637 . 0 0 "[ . 1 . 2]" 1
587 1 72 ALA MB 2 75 ALA MB . . 3.570 2.077 1.893 2.266 . 0 0 "[ . 1 . 2]" 1
588 1 72 ALA MB 2 76 SER H . . 5.500 5.213 4.861 5.543 0.043 18 0 "[ . 1 . 2]" 1
589 1 72 ALA MB 2 78 PHE HB3 . . 4.460 3.766 3.234 5.178 0.718 5 1 "[ + 1 . 2]" 1
590 1 72 ALA MB 2 79 PHE H . . 5.500 5.141 4.571 5.683 0.183 1 0 "[ . 1 . 2]" 1
591 1 72 ALA MB 2 79 PHE QE . . 3.110 2.255 2.052 2.742 . 0 0 "[ . 1 . 2]" 1
592 1 73 PRO HA 1 77 ALA MB . . 4.580 3.643 2.728 4.783 0.203 4 0 "[ . 1 . 2]" 1
593 1 73 PRO HA 2 24 GLN H . . 5.390 5.406 4.936 6.325 0.935 18 2 "[ . 1 . -+ 2]" 1
594 1 73 PRO HA 2 24 GLN HA . . 4.340 3.617 2.336 4.652 0.312 16 0 "[ . 1 . 2]" 1
595 1 73 PRO HA 2 25 LYS QD . . 4.780 3.687 2.628 4.853 0.073 9 0 "[ . 1 . 2]" 1
596 1 73 PRO QB 1 77 ALA MB . . 4.090 2.303 2.012 4.151 0.061 4 0 "[ . 1 . 2]" 1
597 1 73 PRO QB 1 78 PHE H . . 4.120 3.737 2.959 4.494 0.374 2 0 "[ . 1 . 2]" 1
598 1 73 PRO QB 2 78 PHE QE . . 4.870 4.356 3.947 5.135 0.265 14 0 "[ . 1 . 2]" 1
599 1 73 PRO QD 1 101 ILE MD . . 4.180 3.475 2.988 3.993 . 0 0 "[ . 1 . 2]" 1
600 1 73 PRO QD 2 78 PHE QE . . 3.690 3.044 2.482 3.486 . 0 0 "[ . 1 . 2]" 1
601 1 73 PRO HG2 1 78 PHE HA . . 5.500 5.135 4.230 5.995 0.495 2 0 "[ . 1 . 2]" 1
602 1 73 PRO HG2 1 101 ILE MD . . 4.220 3.928 3.323 4.535 0.315 11 0 "[ . 1 . 2]" 1
603 1 73 PRO HG2 2 78 PHE HB3 . . 5.130 4.785 4.161 5.435 0.305 14 0 "[ . 1 . 2]" 1
604 1 73 PRO HG2 2 78 PHE QE . . 3.490 3.455 2.803 4.447 0.957 14 2 "[ . - 1 +. 2]" 1
605 1 74 SER H 1 77 ALA H . . 4.190 3.721 3.226 4.291 0.101 1 0 "[ . 1 . 2]" 1
606 1 74 SER H 1 77 ALA MB . . 4.630 2.989 2.282 4.375 . 0 0 "[ . 1 . 2]" 1
607 1 74 SER H 2 24 GLN H . . 5.500 6.163 5.760 6.989 1.489 17 14 "[-***.** 1 *****+**2]" 1
608 1 74 SER H 2 25 LYS HA . . 4.340 3.683 2.669 5.048 0.708 18 1 "[ . 1 . + 2]" 1
609 1 74 SER H 2 25 LYS QD . . 3.340 3.297 2.147 4.349 1.009 9 4 "[ * . +1 * - 2]" 1
610 1 74 SER H 2 25 LYS QG . . 4.460 4.264 3.305 5.010 0.550 18 1 "[ . 1 . + 2]" 1
611 1 74 SER H 2 26 ARG H . . 5.500 5.377 4.153 6.294 0.794 10 3 "[ . + .* - 2]" 1
612 1 75 ALA H 1 76 SER H . . 5.480 2.937 2.728 3.249 . 0 0 "[ . 1 . 2]" 1
613 1 75 ALA HA 1 78 PHE H . . 3.750 3.319 2.914 3.627 . 0 0 "[ . 1 . 2]" 1
614 1 75 ALA HA 1 78 PHE QB . . 4.600 2.342 2.106 2.660 . 0 0 "[ . 1 . 2]" 1
615 1 75 ALA HA 1 79 PHE H . . 4.140 3.690 3.151 4.161 0.021 2 0 "[ . 1 . 2]" 1
616 1 75 ALA HA 2 72 ALA MB . . 3.960 2.930 2.481 3.730 . 0 0 "[ . 1 . 2]" 1
617 1 75 ALA MB 1 76 SER H . . 3.770 2.638 2.370 2.890 . 0 0 "[ . 1 . 2]" 1
618 1 75 ALA MB 1 76 SER QB . . 4.790 4.499 3.849 4.773 . 0 0 "[ . 1 . 2]" 1
619 1 75 ALA MB 1 78 PHE H . . 4.680 4.538 4.298 4.767 0.087 17 0 "[ . 1 . 2]" 1
620 1 75 ALA MB 1 79 PHE QE . . 3.840 3.563 2.549 4.203 0.363 19 0 "[ . 1 . 2]" 1
621 1 75 ALA MB 2 69 ALA H . . 4.940 4.316 3.268 5.111 0.171 12 0 "[ . 1 . 2]" 1
622 1 75 ALA MB 2 69 ALA HA . . 4.400 2.541 2.060 3.336 . 0 0 "[ . 1 . 2]" 1
623 1 75 ALA MB 2 69 ALA MB . . 4.050 2.628 2.091 3.529 . 0 0 "[ . 1 . 2]" 1
624 1 75 ALA MB 2 72 ALA HA . . 4.630 4.251 4.040 4.386 . 0 0 "[ . 1 . 2]" 1
625 1 75 ALA MB 2 72 ALA MB . . 3.570 2.043 1.930 2.310 . 0 0 "[ . 1 . 2]" 1
626 1 76 SER H 1 77 ALA H . . 3.970 2.851 2.625 3.199 . 0 0 "[ . 1 . 2]" 1
627 1 76 SER H 1 78 PHE H . . 4.300 4.166 3.917 4.488 0.188 8 0 "[ . 1 . 2]" 1
628 1 76 SER H 1 78 PHE QB . . 5.120 4.839 4.592 5.216 0.096 8 0 "[ . 1 . 2]" 1
629 1 76 SER H 2 72 ALA MB . . 5.500 5.246 4.901 5.664 0.164 8 0 "[ . 1 . 2]" 1
630 1 76 SER HA 1 78 PHE H . . 5.070 4.607 4.195 4.963 . 0 0 "[ . 1 . 2]" 1
631 1 76 SER HA 1 79 PHE H . . 4.410 4.078 3.627 4.505 0.095 6 0 "[ . 1 . 2]" 1
632 1 76 SER QB 1 77 ALA MB . . 4.550 3.681 3.402 3.857 . 0 0 "[ . 1 . 2]" 1
633 1 76 SER QB 2 25 LYS HA . . 4.290 3.868 2.626 4.955 0.665 12 3 "[- . * 1 + . 2]" 1
634 1 76 SER QB 2 25 LYS QB . . 5.390 5.031 3.048 6.354 0.964 12 4 "[* . * 1 + .- 2]" 1
635 1 77 ALA H 1 78 PHE H . . 3.700 2.283 2.121 2.720 . 0 0 "[ . 1 . 2]" 1
636 1 77 ALA HA 1 80 GLY H . . 4.940 5.412 3.778 6.522 1.582 5 10 "[ -*+** *1* * ** 2]" 1
637 1 77 ALA HA 1 80 GLY QA . . 4.450 4.190 2.823 5.285 0.835 5 1 "[ + 1 . 2]" 1
638 1 77 ALA HA 1 81 MET H . . 4.260 4.279 3.189 5.389 1.129 11 4 "[ . - **+ . 2]" 1
639 1 77 ALA HA 1 81 MET ME . . 4.620 3.935 3.052 6.421 1.801 4 2 "[ +- 1 . 2]" 1
640 1 77 ALA HA 2 38 PHE QE . . 4.270 3.624 2.177 5.199 0.929 2 3 "[ + . 1 . * -]" 1
641 1 77 ALA MB 1 78 PHE H . . 3.650 2.687 2.397 3.011 . 0 0 "[ . 1 . 2]" 1
642 1 77 ALA MB 1 79 PHE H . . 4.670 4.739 4.467 4.947 0.277 7 0 "[ . 1 . 2]" 1
643 1 77 ALA MB 1 80 GLY H . . 5.500 5.988 4.667 7.049 1.549 5 10 "[ *+** *1* * ** -2]" 1
644 1 77 ALA MB 1 81 MET ME . . 3.690 2.910 2.128 4.872 1.182 4 2 "[ +- 1 . 2]" 1
645 1 77 ALA MB 2 24 GLN HA . . 3.830 3.698 2.890 5.326 1.496 17 2 "[- . 1 . + 2]" 1
646 1 77 ALA MB 2 25 LYS HA . . 4.660 4.166 2.783 5.782 1.122 1 1 "[+ . 1 . 2]" 1
647 1 77 ALA MB 2 38 PHE QE . . 4.310 3.978 2.274 5.720 1.410 2 3 "[ + . 1 . * -]" 1
648 1 78 PHE H 1 78 PHE QB . . 3.320 2.207 2.104 2.282 . 0 0 "[ . 1 . 2]" 1
649 1 78 PHE H 1 79 PHE H . . 3.640 2.751 2.539 2.979 . 0 0 "[ . 1 . 2]" 1
650 1 78 PHE H 1 79 PHE HA . . 5.500 5.364 5.198 5.528 0.028 15 0 "[ . 1 . 2]" 1
651 1 78 PHE H 1 80 GLY H . . 5.500 5.562 4.321 6.523 1.023 5 4 "[ + - 1* * . 2]" 1
652 1 78 PHE H 1 81 MET ME . . 4.870 5.195 4.096 7.281 2.411 5 5 "[ -*+ 1 *. *2]" 1
653 1 78 PHE HA 1 78 PHE QE . . 5.250 4.534 4.289 4.793 . 0 0 "[ . 1 . 2]" 1
654 1 78 PHE HA 1 80 GLY H . . 4.640 4.675 3.621 5.704 1.064 5 4 "[ + * 1* - . 2]" 1
655 1 78 PHE HA 1 81 MET ME . . 4.200 4.343 2.810 6.460 2.260 5 7 "[* + 1 -*** *2]" 1
656 1 78 PHE HA 2 78 PHE QE . . 5.500 4.639 3.629 5.986 0.486 14 0 "[ . 1 . 2]" 1
657 1 78 PHE QB 1 79 PHE H . . 3.470 2.535 2.225 2.986 . 0 0 "[ . 1 . 2]" 1
658 1 78 PHE QB 2 72 ALA MB . . 4.460 3.777 3.137 4.480 0.020 8 0 "[ . 1 . 2]" 1
659 1 78 PHE QB 2 73 PRO HG2 . . 5.130 4.339 3.557 5.471 0.341 17 0 "[ . 1 . 2]" 1
660 1 78 PHE QE 1 79 PHE QE . . 3.660 3.188 2.353 4.182 0.522 13 1 "[ . 1 + . 2]" 1
661 1 78 PHE QE 1 84 ILE MD . . 4.640 3.803 2.613 4.998 0.358 1 0 "[ . 1 . 2]" 1
662 1 78 PHE QE 1 95 LEU QD . . 4.840 3.273 2.217 4.209 . 0 0 "[ . 1 . 2]" 1
663 1 78 PHE QE 1 97 TYR HB3 . . 4.350 3.800 2.573 4.695 0.345 13 0 "[ . 1 . 2]" 1
664 1 78 PHE QE 1 97 TYR QE . . 4.430 3.987 2.938 4.577 0.147 5 0 "[ . 1 . 2]" 1
665 1 78 PHE QE 2 72 ALA HA . . 4.630 4.437 3.387 5.212 0.582 8 1 "[ . + 1 . 2]" 1
666 1 78 PHE QE 2 73 PRO QB . . 4.870 4.441 3.982 5.440 0.570 17 1 "[ . 1 . + 2]" 1
667 1 78 PHE QE 2 73 PRO QD . . 3.690 2.888 2.317 3.484 . 0 0 "[ . 1 . 2]" 1
668 1 78 PHE QE 2 73 PRO HG2 . . 3.490 3.608 2.902 4.308 0.818 17 2 "[ . -1 . + 2]" 1
669 1 78 PHE QE 2 78 PHE HA . . 5.500 4.856 3.697 6.161 0.661 10 2 "[ . -+ . 2]" 1
670 1 78 PHE QE 2 101 ILE MD . . 4.130 3.336 2.569 4.385 0.255 4 0 "[ . 1 . 2]" 1
671 1 79 PHE H 1 80 GLY H . . 3.830 3.836 3.043 4.351 0.521 5 1 "[ + 1 . 2]" 1
672 1 79 PHE H 1 81 MET H . . 4.890 5.619 4.674 6.568 1.678 7 13 "[ *****+ *1* ***- * 2]" 1
673 1 79 PHE H 2 72 ALA MB . . 5.500 5.169 4.615 5.920 0.420 1 0 "[ . 1 . 2]" 1
674 1 79 PHE HA 1 80 GLY QA . . 4.810 3.979 3.913 4.237 . 0 0 "[ . 1 . 2]" 1
675 1 79 PHE HA 1 84 ILE MD . . 4.770 2.776 2.048 3.627 . 0 0 "[ . 1 . 2]" 1
676 1 79 PHE HA 2 68 ILE MG . . 4.420 4.627 4.076 5.231 0.811 11 2 "[ - 1+ . 2]" 1
677 1 79 PHE HB3 1 80 GLY H . . 5.200 4.148 3.616 4.532 . 0 0 "[ . 1 . 2]" 1
678 1 79 PHE QE 1 84 ILE MD . . 4.280 3.724 2.756 4.726 0.446 14 0 "[ . 1 . 2]" 1
679 1 79 PHE QE 1 84 ILE MG . . 3.590 3.389 2.371 4.750 1.160 8 4 "[ .* + 1 * . - 2]" 1
680 1 79 PHE QE 1 95 LEU QD . . 3.470 2.519 1.990 3.790 0.320 8 0 "[ . 1 . 2]" 1
681 1 79 PHE QE 2 68 ILE MG . . 4.010 3.012 2.640 3.365 . 0 0 "[ . 1 . 2]" 1
682 1 79 PHE QE 2 69 ALA H . . 5.160 5.309 4.644 6.236 1.076 14 5 "[ *- . 1 +.** 2]" 1
683 1 79 PHE QE 2 69 ALA HA . . 3.360 3.667 2.645 4.874 1.514 14 7 "[ ** . 1 -+*** 2]" 1
684 1 79 PHE QE 2 69 ALA MB . . 4.680 5.027 4.148 5.922 1.242 14 7 "[ ** . 1 *+-** 2]" 1
685 1 79 PHE QE 2 71 PHE H . . 4.500 4.582 3.659 5.723 1.223 16 4 "[ * . 1 -*+ 2]" 1
686 1 79 PHE QE 2 72 ALA H . . 3.810 3.582 2.980 4.068 0.258 16 0 "[ . 1 . 2]" 1
687 1 79 PHE QE 2 72 ALA HA . . 3.660 2.443 2.178 2.938 . 0 0 "[ . 1 . 2]" 1
688 1 79 PHE QE 2 72 ALA MB . . 3.110 2.252 2.103 2.556 . 0 0 "[ . 1 . 2]" 1
689 1 80 GLY H 1 81 MET H . . 3.780 3.200 2.185 3.940 0.160 7 0 "[ . 1 . 2]" 1
690 1 80 GLY H 1 81 MET HA . . 4.730 4.783 4.372 5.111 0.381 5 0 "[ . 1 . 2]" 1
691 1 80 GLY H 1 84 ILE MG . . 5.230 4.879 4.148 6.155 0.925 10 1 "[ . + . 2]" 1
692 1 80 GLY QA 2 38 PHE HB3 . . 5.070 4.193 3.036 5.282 0.212 9 0 "[ . 1 . 2]" 1
693 1 81 MET H 1 81 MET HB2 . . 3.750 3.683 3.538 4.020 0.270 10 0 "[ . 1 . 2]" 1
694 1 81 MET H 1 81 MET HG2 . . 4.150 3.140 1.988 3.976 . 0 0 "[ . 1 . 2]" 1
695 1 81 MET H 1 82 SER H . . 3.540 2.682 1.864 3.227 . 0 0 "[ . 1 . 2]" 1
696 1 81 MET HA 1 81 MET HG2 . . 4.140 4.033 3.694 4.250 0.110 1 0 "[ . 1 . 2]" 1
697 1 81 MET HA 1 83 ARG H . . 4.370 3.551 3.368 3.873 . 0 0 "[ . 1 . 2]" 1
698 1 81 MET HA 2 38 PHE HB3 . . 5.300 4.799 4.103 5.075 . 0 0 "[ . 1 . 2]" 1
699 1 81 MET HA 2 48 GLY H . . 5.070 4.371 3.127 4.872 . 0 0 "[ . 1 . 2]" 1
700 1 81 MET HA 2 48 GLY HA2 . . 4.220 2.654 1.976 3.902 . 0 0 "[ . 1 . 2]" 1
701 1 81 MET HB2 1 82 SER H . . 4.710 4.369 4.034 4.568 . 0 0 "[ . 1 . 2]" 1
702 1 81 MET HB2 2 38 PHE HB3 . . 5.160 4.605 3.694 5.284 0.124 17 0 "[ . 1 . 2]" 1
703 1 81 MET ME 1 101 ILE HA . . 4.150 4.139 3.258 4.821 0.671 18 1 "[ . 1 . + 2]" 1
704 1 81 MET ME 1 101 ILE MD . . 3.930 2.488 2.077 3.892 . 0 0 "[ . 1 . 2]" 1
705 1 81 MET ME 1 101 ILE HG13 . . 3.900 2.765 2.218 3.801 . 0 0 "[ . 1 . 2]" 1
706 1 81 MET ME 2 97 TYR QE . . 3.920 3.708 2.833 4.963 1.043 5 2 "[ + 1 - 2]" 1
707 1 81 MET HG2 2 38 PHE HB3 . . 4.410 4.031 2.624 5.049 0.639 18 2 "[ . -1 . + 2]" 1
708 1 82 SER H 1 83 ARG H . . 4.690 3.147 2.315 3.561 . 0 0 "[ . 1 . 2]" 1
709 1 82 SER HA 2 97 TYR QE . . 4.520 3.026 2.221 4.462 . 0 0 "[ . 1 . 2]" 1
710 1 82 SER HB3 1 83 ARG H . . 4.710 4.573 4.215 4.735 0.025 11 0 "[ . 1 . 2]" 1
711 1 82 SER HB3 1 98 HIS H . . 4.470 3.988 3.266 5.464 0.994 19 4 "[ * 1 *- . +2]" 1
712 1 82 SER HB3 2 97 TYR QE . . 4.010 2.602 2.052 4.148 0.138 19 0 "[ . 1 . 2]" 1
713 1 83 ARG H 1 83 ARG HD2 . . 4.820 4.296 3.689 4.725 . 0 0 "[ . 1 . 2]" 1
714 1 83 ARG H 1 83 ARG HG3 . . 4.980 4.768 4.226 5.094 0.114 10 0 "[ . 1 . 2]" 1
715 1 83 ARG H 1 84 ILE H . . 4.750 3.136 2.999 3.388 . 0 0 "[ . 1 . 2]" 1
716 1 83 ARG H 1 84 ILE MD . . 4.970 4.203 3.168 4.867 . 0 0 "[ . 1 . 2]" 1
717 1 83 ARG H 1 97 TYR HA . . 5.500 5.405 5.143 5.737 0.237 19 0 "[ . 1 . 2]" 1
718 1 83 ARG H 1 98 HIS H . . 4.660 4.521 4.234 4.830 0.170 19 0 "[ . 1 . 2]" 1
719 1 83 ARG H 1 99 GLY HA3 . . 5.500 5.273 4.860 5.952 0.452 19 0 "[ . 1 . 2]" 1
720 1 83 ARG H 2 48 GLY HA2 . . 5.500 3.997 2.404 5.103 . 0 0 "[ . 1 . 2]" 1
721 1 83 ARG HA 1 84 ILE HG12 . . 4.500 4.385 3.972 4.840 0.340 16 0 "[ . 1 . 2]" 1
722 1 83 ARG HB3 1 98 HIS H . . 3.700 2.651 2.183 3.731 0.031 11 0 "[ . 1 . 2]" 1
723 1 83 ARG HB3 1 98 HIS HB3 . . 4.670 3.515 2.230 5.206 0.536 3 1 "[ + . 1 . 2]" 1
724 1 83 ARG HD2 1 84 ILE H . . 5.200 4.479 3.513 5.119 . 0 0 "[ . 1 . 2]" 1
725 1 83 ARG HD2 2 45 GLN HA . . 4.020 3.552 2.432 4.073 0.053 7 0 "[ . 1 . 2]" 1
726 1 83 ARG HD2 2 45 GLN QB . . 4.070 3.412 2.115 4.297 0.227 12 0 "[ . 1 . 2]" 1
727 1 84 ILE H 1 84 ILE HB . . 4.070 2.529 2.268 2.944 . 0 0 "[ . 1 . 2]" 1
728 1 84 ILE H 1 84 ILE MD . . 4.720 3.088 2.311 3.495 . 0 0 "[ . 1 . 2]" 1
729 1 84 ILE H 1 84 ILE HG12 . . 3.850 2.239 1.890 2.548 . 0 0 "[ . 1 . 2]" 1
730 1 84 ILE H 1 84 ILE MG . . 4.130 3.765 3.654 3.824 . 0 0 "[ . 1 . 2]" 1
731 1 84 ILE H 1 85 GLY H . . 4.940 4.502 4.341 4.615 . 0 0 "[ . 1 . 2]" 1
732 1 84 ILE H 2 121 ILE MG . . 4.940 5.080 4.630 5.636 0.696 17 3 "[ -. 1 .*+ 2]" 1
733 1 84 ILE HA 1 84 ILE MD . . 4.510 2.288 2.074 2.768 . 0 0 "[ . 1 . 2]" 1
734 1 84 ILE HA 2 121 ILE MG . . 5.460 5.392 4.970 5.919 0.459 17 0 "[ . 1 . 2]" 1
735 1 84 ILE HB 1 85 GLY H . . 4.520 4.209 3.978 4.458 . 0 0 "[ . 1 . 2]" 1
736 1 84 ILE MD 1 85 GLY H . . 4.500 4.019 3.732 4.631 0.131 1 0 "[ . 1 . 2]" 1
737 1 84 ILE MD 1 98 HIS H . . 5.190 4.237 3.744 4.910 . 0 0 "[ . 1 . 2]" 1
738 1 84 ILE HG12 1 84 ILE MG . . 3.650 3.222 3.193 3.241 . 0 0 "[ . 1 . 2]" 1
739 1 84 ILE HG12 1 85 GLY H . . 5.390 5.342 5.187 5.517 0.127 4 0 "[ . 1 . 2]" 1
740 1 84 ILE HG12 2 50 PHE H . . 5.500 5.251 3.625 6.341 0.841 3 1 "[ + . 1 . 2]" 1
741 1 84 ILE HG12 2 50 PHE HB3 . . 4.900 4.227 2.948 4.855 . 0 0 "[ . 1 . 2]" 1
742 1 84 ILE HG12 2 121 ILE MD . . 5.370 5.333 4.371 6.129 0.759 18 5 "[ * . *1* . -+ 2]" 1
743 1 84 ILE MG 1 85 GLY H . . 3.890 2.881 2.524 3.300 . 0 0 "[ . 1 . 2]" 1
744 1 84 ILE MG 1 85 GLY HA2 . . 4.530 3.688 3.410 4.150 . 0 0 "[ . 1 . 2]" 1
745 1 84 ILE MG 1 86 MET ME . . 3.730 4.300 3.105 5.351 1.621 4 11 "[ -*+* * **** .* * 2]" 1
746 1 84 ILE MG 2 121 ILE HA . . 5.130 5.217 4.161 5.949 0.819 14 5 "[* . * 1 +.* -]" 1
747 1 84 ILE MG 2 121 ILE MD . . 4.060 2.198 1.994 2.549 . 0 0 "[ . 1 . 2]" 1
748 1 85 GLY H 1 86 MET H . . 4.150 4.182 3.852 4.397 0.247 17 0 "[ . 1 . 2]" 1
749 1 85 GLY H 1 86 MET HA . . 5.390 4.650 4.316 4.828 . 0 0 "[ . 1 . 2]" 1
750 1 85 GLY H 1 86 MET ME . . 5.320 5.889 4.509 6.759 1.439 11 11 "[ **** *+** .* *-2]" 1
751 1 85 GLY H 1 95 LEU QD . . 4.190 2.823 2.028 3.877 . 0 0 "[ . 1 . 2]" 1
752 1 85 GLY H 1 95 LEU HG . . 4.610 4.142 2.836 4.810 0.200 13 0 "[ . 1 . 2]" 1
753 1 85 GLY H 1 96 THR H . . 3.910 3.060 2.623 3.816 . 0 0 "[ . 1 . 2]" 1
754 1 85 GLY H 1 97 TYR HA . . 5.500 4.540 3.933 5.368 . 0 0 "[ . 1 . 2]" 1
755 1 85 GLY H 2 121 ILE MD . . 4.830 3.840 3.443 4.257 . 0 0 "[ . 1 . 2]" 1
756 1 85 GLY HA2 1 86 MET H . . 3.430 2.313 2.186 2.499 . 0 0 "[ . 1 . 2]" 1
757 1 85 GLY HA2 1 86 MET ME . . 5.280 4.841 3.352 5.744 0.464 3 0 "[ . 1 . 2]" 1
758 1 85 GLY HA2 2 121 ILE MD . . 4.160 2.409 2.126 3.003 . 0 0 "[ . 1 . 2]" 1
759 1 85 GLY HA2 2 121 ILE MG . . 3.830 2.478 2.024 2.965 . 0 0 "[ . 1 . 2]" 1
760 1 86 MET H 1 86 MET ME . . 3.190 3.925 2.356 4.884 1.694 17 13 "[* **-* *** * * +* *]" 1
761 1 86 MET H 1 86 MET QG . . 3.970 3.177 2.475 3.713 . 0 0 "[ . 1 . 2]" 1
762 1 86 MET H 1 87 GLU H . . 4.490 4.360 4.268 4.443 . 0 0 "[ . 1 . 2]" 1
763 1 86 MET H 1 95 LEU HA . . 4.570 4.751 4.466 5.108 0.538 3 2 "[ + . -1 . 2]" 1
764 1 86 MET H 1 96 THR H . . 5.060 5.127 4.790 5.748 0.688 3 2 "[ + . 1 - 2]" 1
765 1 86 MET H 2 121 ILE MD . . 4.010 3.101 2.201 3.673 . 0 0 "[ . 1 . 2]" 1
766 1 86 MET H 2 121 ILE MG . . 4.030 3.438 2.645 4.417 0.387 14 0 "[ . 1 . 2]" 1
767 1 86 MET HA 1 86 MET ME . . 4.690 4.914 4.153 5.306 0.616 1 7 "[+ *-. ** * . * 2]" 1
768 1 86 MET HA 1 86 MET QG . . 3.770 3.463 3.373 3.560 . 0 0 "[ . 1 . 2]" 1
769 1 86 MET HA 1 87 GLU H . . 3.290 2.365 2.213 2.483 . 0 0 "[ . 1 . 2]" 1
770 1 86 MET HA 1 87 GLU QG . . 4.960 4.072 3.326 5.172 0.212 18 0 "[ . 1 . 2]" 1
771 1 86 MET HA 1 95 LEU HA . . 4.490 2.667 2.067 3.332 . 0 0 "[ . 1 . 2]" 1
772 1 86 MET HA 1 95 LEU QD . . 4.180 3.920 3.150 4.753 0.573 9 1 "[ . +1 . 2]" 1
773 1 86 MET HA 1 96 THR H . . 3.680 3.642 3.225 4.228 0.548 3 1 "[ + . 1 . 2]" 1
774 1 86 MET HA 1 96 THR MG . . 5.030 4.187 3.081 5.366 0.336 15 0 "[ . 1 . 2]" 1
775 1 86 MET HB2 1 87 GLU HA . . 4.880 4.665 4.391 4.937 0.057 11 0 "[ . 1 . 2]" 1
776 1 86 MET HB2 1 93 THR MG . . 3.880 2.479 2.190 2.767 . 0 0 "[ . 1 . 2]" 1
777 1 86 MET HB2 1 95 LEU HA . . 4.270 2.822 2.341 3.365 . 0 0 "[ . 1 . 2]" 1
778 1 86 MET HB2 1 95 LEU QD . . 4.080 3.598 3.316 4.082 0.002 9 0 "[ . 1 . 2]" 1
779 1 86 MET HB2 2 103 LEU QD . . 3.630 3.543 2.857 4.404 0.774 13 2 "[ . -1 + . 2]" 1
780 1 86 MET ME 1 95 LEU HA . . 5.500 5.343 3.951 6.182 0.682 19 1 "[ . 1 . +2]" 1
781 1 86 MET ME 1 95 LEU QD . . 3.890 3.657 1.878 4.717 0.827 12 4 "[ . 1*+ -. * 2]" 1
782 1 86 MET ME 2 114 VAL HA . . 3.750 2.975 2.235 4.660 0.910 14 1 "[ . 1 +. 2]" 1
783 1 86 MET ME 2 114 VAL MG2 . . 4.770 3.670 2.711 5.083 0.313 14 0 "[ . 1 . 2]" 1
784 1 86 MET ME 2 115 ILE HA . . 5.210 5.045 4.365 6.302 1.092 15 3 "[ .* 1 + - 2]" 1
785 1 86 MET ME 2 117 LEU HA . . 4.240 4.260 3.865 4.730 0.490 6 0 "[ . 1 . 2]" 1
786 1 86 MET ME 2 117 LEU HB3 . . 3.300 2.480 2.140 2.951 . 0 0 "[ . 1 . 2]" 1
787 1 86 MET ME 2 117 LEU QD . . 3.220 2.653 1.916 3.491 0.271 14 0 "[ . 1 . 2]" 1
788 1 86 MET ME 2 118 ASN HA . . 3.820 3.032 2.078 5.040 1.220 17 2 "[ .- 1 . + 2]" 1
789 1 86 MET ME 2 118 ASN QB . . 4.140 3.688 2.842 5.321 1.181 17 3 "[ .* 1 - + 2]" 1
790 1 86 MET ME 2 118 ASN QD . . 4.110 2.546 1.960 3.996 . 0 0 "[ . 1 . 2]" 1
791 1 86 MET ME 2 121 ILE MD . . 3.500 2.401 2.029 3.110 . 0 0 "[ . 1 . 2]" 1
792 1 86 MET QG 1 87 GLU H . . 4.050 3.373 2.990 3.878 . 0 0 "[ . 1 . 2]" 1
793 1 86 MET QG 1 87 GLU HA . . 3.990 3.752 3.364 4.432 0.442 14 0 "[ . 1 . 2]" 1
794 1 86 MET QG 1 93 THR MG . . 3.790 2.475 1.865 3.556 . 0 0 "[ . 1 . 2]" 1
795 1 86 MET QG 1 95 LEU HA . . 4.770 4.195 3.589 4.632 . 0 0 "[ . 1 . 2]" 1
796 1 86 MET QG 1 95 LEU QD . . 4.140 3.419 2.802 4.199 0.059 9 0 "[ . 1 . 2]" 1
797 1 86 MET QG 2 103 LEU QD . . 4.380 3.245 2.260 4.362 . 0 0 "[ . 1 . 2]" 1
798 1 86 MET QG 2 117 LEU QD . . 5.210 3.626 2.309 4.649 . 0 0 "[ . 1 . 2]" 1
799 1 86 MET QG 2 118 ASN QD . . 4.830 3.411 2.054 4.479 . 0 0 "[ . 1 . 2]" 1
800 1 86 MET QG 2 121 ILE MD . . 4.430 3.574 2.066 4.191 . 0 0 "[ . 1 . 2]" 1
801 1 87 GLU H 1 87 GLU HB2 . . 3.840 3.779 3.534 3.937 0.097 18 0 "[ . 1 . 2]" 1
802 1 87 GLU H 1 88 VAL H . . 4.670 4.354 4.241 4.546 . 0 0 "[ . 1 . 2]" 1
803 1 87 GLU HA 1 87 GLU QG . . 3.810 3.475 3.383 3.554 . 0 0 "[ . 1 . 2]" 1
804 1 87 GLU HA 1 88 VAL H . . 3.040 2.258 2.115 2.358 . 0 0 "[ . 1 . 2]" 1
805 1 87 GLU HB2 1 88 VAL H . . 3.380 2.942 2.650 3.374 . 0 0 "[ . 1 . 2]" 1
806 1 87 GLU QG 1 88 VAL H . . 4.210 4.090 3.536 4.730 0.520 9 1 "[ . +1 . 2]" 1
807 1 87 GLU QG 1 89 THR H . . 4.630 4.627 3.571 5.502 0.872 12 2 "[ .- 1 + . 2]" 1
808 1 87 GLU QG 1 89 THR MG . . 3.870 2.856 1.988 3.899 0.029 9 0 "[ . 1 . 2]" 1
809 1 87 GLU QG 1 93 THR HA . . 4.380 4.457 4.060 4.958 0.578 1 2 "[+ . -1 . 2]" 1
810 1 88 VAL H 1 88 VAL HB . . 3.030 2.993 2.764 3.341 0.311 5 0 "[ . 1 . 2]" 1
811 1 88 VAL H 1 88 VAL MG2 . . 3.790 3.813 3.739 3.920 0.130 17 0 "[ . 1 . 2]" 1
812 1 88 VAL H 1 89 THR H . . 4.480 4.271 3.849 4.588 0.108 12 0 "[ . 1 . 2]" 1
813 1 88 VAL H 1 89 THR HA . . 5.270 5.045 4.601 5.446 0.176 12 0 "[ . 1 . 2]" 1
814 1 88 VAL H 1 93 THR HA . . 5.110 4.926 4.530 5.823 0.713 11 1 "[ . 1+ . 2]" 1
815 1 88 VAL H 1 93 THR MG . . 4.480 4.176 3.784 5.112 0.632 14 1 "[ . 1 +. 2]" 1
816 1 88 VAL HA 1 88 VAL MG2 . . 3.510 2.403 2.275 2.533 . 0 0 "[ . 1 . 2]" 1
817 1 88 VAL HA 1 89 THR H . . 3.140 2.197 2.111 2.279 . 0 0 "[ . 1 . 2]" 1
818 1 88 VAL HA 1 93 THR HA . . 4.130 2.502 2.063 3.414 . 0 0 "[ . 1 . 2]" 1
819 1 88 VAL HA 1 93 THR MG . . 3.710 2.897 2.374 3.784 0.074 14 0 "[ . 1 . 2]" 1
820 1 88 VAL HB 1 89 THR H . . 4.400 4.313 3.992 4.521 0.121 19 0 "[ . 1 . 2]" 1
821 1 88 VAL HB 1 93 THR HA . . 5.070 4.352 3.063 5.566 0.496 11 0 "[ . 1 . 2]" 1
822 1 88 VAL HB 1 93 THR MG . . 4.090 3.177 2.532 4.590 0.500 14 1 "[ . 1 +. 2]" 1
823 1 88 VAL MG2 1 89 THR H . . 3.530 3.075 2.284 3.625 0.095 9 0 "[ . 1 . 2]" 1
824 1 88 VAL MG2 1 93 THR H . . 5.160 4.759 3.056 5.869 0.709 14 1 "[ . 1 +. 2]" 1
825 1 88 VAL MG2 1 93 THR HA . . 4.410 3.937 2.814 4.927 0.517 14 1 "[ . 1 +. 2]" 1
826 1 88 VAL MG2 1 93 THR MG . . 4.720 3.755 3.295 4.791 0.071 14 0 "[ . 1 . 2]" 1
827 1 89 THR H 1 89 THR MG . . 3.610 3.093 2.527 3.663 0.053 3 0 "[ . 1 . 2]" 1
828 1 89 THR H 1 92 GLY H . . 3.630 3.569 2.823 4.624 0.994 15 3 "[ . * 1 -+ 2]" 1
829 1 89 THR H 1 93 THR H . . 4.760 4.709 4.262 5.187 0.427 5 0 "[ . 1 . 2]" 1
830 1 89 THR H 1 93 THR HA . . 3.650 3.003 2.661 3.641 . 0 0 "[ . 1 . 2]" 1
831 1 89 THR H 1 93 THR HB . . 5.500 5.562 5.225 6.398 0.898 17 2 "[ - 1 . + 2]" 1
832 1 89 THR H 1 94 TRP H . . 4.560 4.481 3.759 5.610 1.050 12 3 "[ .* 1 +- . 2]" 1
833 1 89 THR H 1 94 TRP HD1 . . 4.490 4.170 3.027 4.941 0.451 6 0 "[ . 1 . 2]" 1
834 1 89 THR HA 1 89 THR MG . . 3.080 2.320 2.158 2.732 . 0 0 "[ . 1 . 2]" 1
835 1 89 THR HA 1 90 PRO QD . . 3.370 2.351 2.207 2.530 . 0 0 "[ . 1 . 2]" 1
836 1 89 THR HA 1 90 PRO QG . . 4.770 4.281 4.144 4.440 . 0 0 "[ . 1 . 2]" 1
837 1 89 THR HA 1 91 SER H . . 4.630 4.225 3.941 4.644 0.014 14 0 "[ . 1 . 2]" 1
838 1 89 THR HA 1 92 GLY H . . 4.700 4.771 4.501 5.451 0.751 15 2 "[ . - 1 + 2]" 1
839 1 89 THR HB 1 90 PRO HA . . 4.700 4.953 4.700 5.239 0.539 2 2 "[ + . 1 .- 2]" 1
840 1 89 THR HB 1 90 PRO QD . . 3.370 2.098 1.899 2.533 . 0 0 "[ . 1 . 2]" 1
841 1 89 THR HB 1 90 PRO QG . . 3.710 3.724 3.340 3.971 0.261 2 0 "[ . 1 . 2]" 1
842 1 89 THR MG 1 90 PRO QD . . 3.370 2.845 2.152 3.579 0.209 16 0 "[ . 1 . 2]" 1
843 1 89 THR MG 1 90 PRO QG . . 4.290 4.439 3.825 5.116 0.826 2 6 "[ + *- 1 * .* *2]" 1
844 1 89 THR MG 1 91 SER H . . 4.810 4.221 3.879 4.588 . 0 0 "[ . 1 . 2]" 1
845 1 89 THR MG 1 92 GLY H . . 4.650 4.876 4.185 5.682 1.032 15 5 "[ . * 1* + - *]" 1
846 1 89 THR MG 1 94 TRP HD1 . . 4.000 3.845 2.322 4.789 0.789 10 6 "[ . * + * ** - 2]" 1
847 1 89 THR MG 1 94 TRP HE1 . . 5.120 4.863 3.382 5.910 0.790 10 5 "[ . - +* *. * 2]" 1
848 1 90 PRO HA 1 92 GLY H . . 4.600 3.739 3.318 4.180 . 0 0 "[ . 1 . 2]" 1
849 1 90 PRO HB2 1 91 SER HA . . 4.470 4.425 4.243 4.690 0.220 6 0 "[ . 1 . 2]" 1
850 1 90 PRO QD 1 91 SER H . . 4.210 2.838 2.539 3.151 . 0 0 "[ . 1 . 2]" 1
851 1 91 SER H 1 92 GLY H . . 3.700 2.599 2.239 3.057 . 0 0 "[ . 1 . 2]" 1
852 1 91 SER HA 1 91 SER HB2 . . 2.820 2.586 2.313 3.032 0.212 7 0 "[ . 1 . 2]" 1
853 1 92 GLY H 1 93 THR H . . 4.300 4.340 4.032 4.463 0.163 7 0 "[ . 1 . 2]" 1
854 1 92 GLY H 1 93 THR HA . . 4.780 4.824 4.535 5.228 0.448 15 0 "[ . 1 . 2]" 1
855 1 92 GLY H 1 94 TRP HD1 . . 4.780 4.761 4.077 6.400 1.620 20 2 "[ .- 1 . +]" 1
856 1 92 GLY H 1 94 TRP HE1 . . 4.270 4.316 2.987 5.524 1.254 6 6 "[- .+ *1* . * *]" 1
857 1 92 GLY HA3 1 93 THR H . . 3.300 2.562 2.153 2.992 . 0 0 "[ . 1 . 2]" 1
858 1 93 THR H 1 93 THR HB . . 3.340 2.513 2.230 2.926 . 0 0 "[ . 1 . 2]" 1
859 1 93 THR H 1 93 THR MG . . 3.830 3.817 3.681 3.990 0.160 6 0 "[ . 1 . 2]" 1
860 1 93 THR H 1 94 TRP H . . 4.530 4.450 4.068 4.645 0.115 1 0 "[ . 1 . 2]" 1
861 1 93 THR H 2 103 LEU H . . 4.880 4.292 3.530 5.076 0.196 6 0 "[ . 1 . 2]" 1
862 1 93 THR H 2 103 LEU QB . . 5.500 4.051 3.411 5.205 . 0 0 "[ . 1 . 2]" 1
863 1 93 THR H 2 110 PHE QE . . 4.040 3.983 3.527 4.560 0.520 6 1 "[ .+ 1 . 2]" 1
864 1 93 THR HA 1 93 THR MG . . 3.510 2.437 2.302 2.569 . 0 0 "[ . 1 . 2]" 1
865 1 93 THR HA 1 94 TRP HD1 . . 4.350 3.417 3.047 3.935 . 0 0 "[ . 1 . 2]" 1
866 1 93 THR HB 2 103 LEU QB . . 4.690 2.693 2.195 3.644 . 0 0 "[ . 1 . 2]" 1
867 1 93 THR HB 2 103 LEU QD . . 4.230 2.633 1.941 3.414 . 0 0 "[ . 1 . 2]" 1
868 1 93 THR HB 2 110 PHE QE . . 3.090 2.780 2.336 3.726 0.636 12 1 "[ . 1 + . 2]" 1
869 1 93 THR HB 2 114 VAL MG2 . . 4.750 3.482 2.816 4.611 . 0 0 "[ . 1 . 2]" 1
870 1 93 THR MG 1 94 TRP H . . 3.790 2.769 2.322 3.246 . 0 0 "[ . 1 . 2]" 1
871 1 93 THR MG 1 94 TRP HA . . 4.560 4.064 3.528 4.428 . 0 0 "[ . 1 . 2]" 1
872 1 93 THR MG 1 95 LEU QD . . 4.960 4.142 3.642 4.538 . 0 0 "[ . 1 . 2]" 1
873 1 93 THR MG 2 103 LEU H . . 4.050 4.180 3.491 4.725 0.675 3 3 "[ + . * - . 2]" 1
874 1 93 THR MG 2 103 LEU HA . . 5.120 5.549 4.762 6.238 1.118 6 7 "[ .+ *1 ** * - *]" 1
875 1 93 THR MG 2 103 LEU QB . . 4.510 3.466 2.531 4.025 . 0 0 "[ . 1 . 2]" 1
876 1 93 THR MG 2 103 LEU QD . . 3.760 2.170 1.873 2.784 . 0 0 "[ . 1 . 2]" 1
877 1 93 THR MG 2 103 LEU HG . . 4.990 4.651 4.136 5.419 0.429 13 0 "[ . 1 . 2]" 1
878 1 93 THR MG 2 110 PHE QE . . 3.790 3.596 3.182 4.445 0.655 12 1 "[ . 1 + . 2]" 1
879 1 93 THR MG 2 114 VAL HA . . 4.400 4.185 3.878 4.714 0.314 10 0 "[ . 1 . 2]" 1
880 1 93 THR MG 2 114 VAL MG2 . . 3.920 2.494 2.084 3.511 . 0 0 "[ . 1 . 2]" 1
881 1 94 TRP H 1 94 TRP HD1 . . 3.930 2.874 2.263 3.507 . 0 0 "[ . 1 . 2]" 1
882 1 94 TRP HA 1 94 TRP HD1 . . 4.790 3.929 3.551 4.407 . 0 0 "[ . 1 . 2]" 1
883 1 94 TRP HA 1 94 TRP HE3 . . 4.680 3.652 3.133 4.264 . 0 0 "[ . 1 . 2]" 1
884 1 94 TRP HA 2 100 ALA MB . . 4.580 4.581 3.905 5.307 0.727 17 1 "[ . 1 . + 2]" 1
885 1 94 TRP HA 2 103 LEU H . . 4.290 4.048 3.196 4.729 0.439 3 0 "[ . 1 . 2]" 1
886 1 94 TRP HA 2 103 LEU QD . . 4.280 3.866 2.981 4.414 0.134 13 0 "[ . 1 . 2]" 1
887 1 94 TRP HE3 1 95 LEU H . . 4.340 4.623 3.877 5.320 0.980 4 9 "[ *+* 1***-* * 2]" 1
888 1 94 TRP HE3 2 100 ALA MB . . 3.820 3.158 2.352 3.816 . 0 0 "[ . 1 . 2]" 1
889 1 94 TRP HE3 2 101 ILE H . . 5.250 4.977 3.585 5.874 0.624 6 1 "[ .+ 1 . 2]" 1
890 1 94 TRP HE3 2 101 ILE HA . . 5.500 5.652 3.887 6.596 1.096 18 9 "[ **-.* * 1 *** + 2]" 1
891 1 94 TRP HE3 2 102 LYS HD3 . . 4.100 3.744 2.726 4.711 0.611 17 1 "[ . 1 . + 2]" 1
892 1 94 TRP HE3 2 102 LYS HG3 . . 4.820 4.572 3.118 5.773 0.953 14 3 "[ . *1 +. -2]" 1
893 1 95 LEU H 1 95 LEU HB3 . . 3.470 2.377 2.122 2.617 . 0 0 "[ . 1 . 2]" 1
894 1 95 LEU H 1 96 THR H . . 4.530 4.482 4.206 4.620 0.090 5 0 "[ . 1 . 2]" 1
895 1 95 LEU H 2 101 ILE H . . 4.000 3.205 2.893 3.794 . 0 0 "[ . 1 . 2]" 1
896 1 95 LEU H 2 102 LYS H . . 5.370 4.969 4.218 5.405 0.035 3 0 "[ . 1 . 2]" 1
897 1 95 LEU H 2 102 LYS HA . . 4.220 3.286 2.791 3.670 . 0 0 "[ . 1 . 2]" 1
898 1 95 LEU H 2 103 LEU H . . 4.430 4.362 3.802 5.025 0.595 6 1 "[ .+ 1 . 2]" 1
899 1 95 LEU H 2 103 LEU QD . . 4.330 3.279 2.412 3.875 . 0 0 "[ . 1 . 2]" 1
900 1 95 LEU HA 1 95 LEU QD . . 3.970 2.536 2.244 3.170 . 0 0 "[ . 1 . 2]" 1
901 1 95 LEU HA 1 95 LEU HG . . 4.220 3.099 2.415 3.501 . 0 0 "[ . 1 . 2]" 1
902 1 95 LEU HA 1 96 THR H . . 3.370 2.262 2.146 2.337 . 0 0 "[ . 1 . 2]" 1
903 1 95 LEU HB3 1 96 THR H . . 4.360 4.212 3.826 4.572 0.212 9 0 "[ . 1 . 2]" 1
904 1 95 LEU HB3 2 100 ALA MB . . 4.730 5.090 4.714 5.544 0.814 17 5 "[ -*. * 1 . +* 2]" 1
905 1 95 LEU HB3 2 101 ILE H . . 3.840 3.363 2.885 3.886 0.046 6 0 "[ . 1 . 2]" 1
906 1 95 LEU HB3 2 101 ILE HB . . 4.310 3.443 2.378 4.797 0.487 6 0 "[ . 1 . 2]" 1
907 1 95 LEU HB3 2 103 LEU QD . . 3.930 2.693 2.230 3.410 . 0 0 "[ . 1 . 2]" 1
908 1 95 LEU QD 1 96 THR H . . 3.830 2.561 1.949 3.964 0.134 9 0 "[ . 1 . 2]" 1
909 1 95 LEU QD 2 103 LEU QD . . 3.820 2.333 2.032 2.935 . 0 0 "[ . 1 . 2]" 1
910 1 95 LEU QD 2 117 LEU QD . . 4.010 2.712 1.937 3.323 . 0 0 "[ . 1 . 2]" 1
911 1 95 LEU HG 1 96 THR H . . 3.530 2.992 2.388 3.820 0.290 19 0 "[ . 1 . 2]" 1
912 1 95 LEU HG 2 101 ILE H . . 4.640 4.368 3.271 5.690 1.050 4 3 "[ +. - 1 . * 2]" 1
913 1 96 THR H 1 96 THR MG . . 4.030 2.897 2.076 3.197 . 0 0 "[ . 1 . 2]" 1
914 1 96 THR H 1 97 TYR H . . 4.560 4.488 4.418 4.639 0.079 9 0 "[ . 1 . 2]" 1
915 1 96 THR H 2 100 ALA MB . . 4.690 4.838 4.056 5.257 0.567 18 2 "[ . 1 - . + 2]" 1
916 1 96 THR H 2 101 ILE H . . 4.990 4.952 4.752 5.108 0.118 19 0 "[ . 1 . 2]" 1
917 1 96 THR H 2 103 LEU QD . . 5.500 5.439 4.916 5.852 0.352 4 0 "[ . 1 . 2]" 1
918 1 96 THR HA 2 100 ALA HA . . 4.570 2.113 1.992 2.286 . 0 0 "[ . 1 . 2]" 1
919 1 96 THR HA 2 100 ALA MB . . 4.130 3.118 2.498 3.575 . 0 0 "[ . 1 . 2]" 1
920 1 96 THR HA 2 101 ILE H . . 4.180 3.631 3.330 3.824 . 0 0 "[ . 1 . 2]" 1
921 1 96 THR HB 1 97 TYR H . . 3.660 2.562 2.228 3.770 0.110 11 0 "[ . 1 . 2]" 1
922 1 96 THR HB 2 100 ALA HA . . 4.810 4.175 3.758 4.788 . 0 0 "[ . 1 . 2]" 1
923 1 96 THR HB 2 100 ALA MB . . 4.560 3.977 2.715 4.400 . 0 0 "[ . 1 . 2]" 1
924 1 96 THR MG 1 97 TYR H . . 4.050 3.683 3.161 3.894 . 0 0 "[ . 1 . 2]" 1
925 1 96 THR MG 2 100 ALA HA . . 4.440 3.073 2.428 4.829 0.389 11 0 "[ . 1 . 2]" 1
926 1 96 THR MG 2 100 ALA MB . . 3.810 2.276 1.970 4.024 0.214 11 0 "[ . 1 . 2]" 1
927 1 97 TYR H 1 98 HIS HA . . 5.500 4.861 4.748 4.991 . 0 0 "[ . 1 . 2]" 1
928 1 97 TYR H 2 98 HIS HA . . 5.500 4.494 4.267 4.904 . 0 0 "[ . 1 . 2]" 1
929 1 97 TYR H 2 99 GLY H . . 4.170 3.102 2.759 3.750 . 0 0 "[ . 1 . 2]" 1
930 1 97 TYR H 2 99 GLY HA3 . . 5.500 4.819 4.456 5.272 . 0 0 "[ . 1 . 2]" 1
931 1 97 TYR H 2 100 ALA H . . 5.350 5.237 4.909 5.616 0.266 5 0 "[ . 1 . 2]" 1
932 1 97 TYR H 2 100 ALA HA . . 4.030 3.777 3.419 4.082 0.052 3 0 "[ . 1 . 2]" 1
933 1 97 TYR H 2 100 ALA MB . . 4.310 4.529 3.905 4.923 0.613 13 2 "[ . - 1 + . 2]" 1
934 1 97 TYR H 2 101 ILE H . . 5.260 5.676 5.200 5.992 0.732 5 9 "[ ** + 1-** ** *]" 1
935 1 97 TYR HA 1 98 HIS HB3 . . 5.500 4.974 4.249 5.690 0.190 19 0 "[ . 1 . 2]" 1
936 1 97 TYR HB3 1 98 HIS H . . 4.110 3.946 3.738 4.175 0.065 4 0 "[ . 1 . 2]" 1
937 1 97 TYR QE 2 81 MET ME . . 3.920 3.961 2.933 5.090 1.170 11 3 "[ - . *1+ . 2]" 1
938 1 97 TYR QE 2 82 SER HA . . 4.520 2.869 2.240 3.658 . 0 0 "[ . 1 . 2]" 1
939 1 97 TYR QE 2 82 SER HB2 . . 4.010 3.196 2.289 3.918 . 0 0 "[ . 1 . 2]" 1
940 1 97 TYR QE 2 99 GLY H . . 4.730 3.850 2.945 4.411 . 0 0 "[ . 1 . 2]" 1
941 1 97 TYR QE 2 99 GLY HA3 . . 4.540 2.924 2.362 3.291 . 0 0 "[ . 1 . 2]" 1
942 1 97 TYR QE 2 100 ALA H . . 4.070 3.568 2.951 4.139 0.069 13 0 "[ . 1 . 2]" 1
943 1 97 TYR QE 2 101 ILE H . . 4.860 3.673 2.850 4.711 . 0 0 "[ . 1 . 2]" 1
944 1 97 TYR QE 2 101 ILE HA . . 4.430 4.435 3.926 4.947 0.517 8 2 "[ . + 1 - . 2]" 1
945 1 97 TYR QE 2 101 ILE MD . . 3.950 2.500 2.265 2.991 . 0 0 "[ . 1 . 2]" 1
946 1 97 TYR QE 2 101 ILE QG . . 3.880 2.188 2.042 2.337 . 0 0 "[ . 1 . 2]" 1
947 1 98 HIS H 1 98 HIS HB3 . . 3.960 3.426 2.818 4.001 0.041 4 0 "[ . 1 . 2]" 1
948 1 98 HIS H 1 99 GLY H . . 4.460 4.227 3.830 4.424 . 0 0 "[ . 1 . 2]" 1
949 1 98 HIS HA 1 99 GLY H . . 3.280 2.371 2.223 2.574 . 0 0 "[ . 1 . 2]" 1
950 1 98 HIS HA 2 97 TYR H . . 5.500 4.425 4.080 4.850 . 0 0 "[ . 1 . 2]" 1
951 1 98 HIS HB3 1 98 HIS HD2 . . 3.960 3.174 2.545 3.940 . 0 0 "[ . 1 . 2]" 1
952 1 98 HIS HB3 1 99 GLY H . . 3.730 3.728 2.437 4.558 0.828 13 6 "[ * ** + *- 2]" 1
953 1 98 HIS HB3 1 99 GLY HA3 . . 5.140 5.266 4.815 5.892 0.752 17 2 "[ . 1 . + -]" 1
954 1 98 HIS HD2 1 99 GLY H . . 4.570 4.415 2.005 6.069 1.499 19 4 "[ -*. 1 * . +2]" 1
955 1 99 GLY H 1 100 ALA H . . 4.600 4.387 4.291 4.474 . 0 0 "[ . 1 . 2]" 1
956 1 99 GLY H 2 97 TYR H . . 4.170 3.063 2.782 3.708 . 0 0 "[ . 1 . 2]" 1
957 1 99 GLY H 2 97 TYR QE . . 4.730 3.670 3.140 4.401 . 0 0 "[ . 1 . 2]" 1
958 1 99 GLY HA3 1 100 ALA H . . 3.520 2.476 2.267 2.713 . 0 0 "[ . 1 . 2]" 1
959 1 99 GLY HA3 2 97 TYR H . . 5.500 4.902 4.407 5.649 0.149 18 0 "[ . 1 . 2]" 1
960 1 99 GLY HA3 2 97 TYR QE . . 4.540 3.035 2.543 3.550 . 0 0 "[ . 1 . 2]" 1
961 1 100 ALA H 1 101 ILE H . . 4.580 4.352 4.215 4.471 . 0 0 "[ . 1 . 2]" 1
962 1 100 ALA H 2 97 TYR H . . 5.350 5.309 4.921 5.811 0.461 18 0 "[ . 1 . 2]" 1
963 1 100 ALA H 2 97 TYR QE . . 4.070 3.835 3.164 4.518 0.448 2 0 "[ . 1 . 2]" 1
964 1 100 ALA HA 2 96 THR HA . . 4.570 2.215 1.979 2.559 . 0 0 "[ . 1 . 2]" 1
965 1 100 ALA HA 2 96 THR HB . . 4.810 4.152 3.042 4.809 . 0 0 "[ . 1 . 2]" 1
966 1 100 ALA HA 2 96 THR MG . . 4.440 3.409 2.565 5.070 0.630 15 1 "[ . 1 + 2]" 1
967 1 100 ALA HA 2 97 TYR H . . 4.030 3.816 3.424 4.196 0.166 5 0 "[ . 1 . 2]" 1
968 1 100 ALA MB 1 101 ILE H . . 3.570 2.672 2.289 3.105 . 0 0 "[ . 1 . 2]" 1
969 1 100 ALA MB 2 94 TRP HA . . 4.580 4.520 4.054 5.104 0.524 16 1 "[ . 1 .+ 2]" 1
970 1 100 ALA MB 2 94 TRP HE3 . . 3.820 3.281 2.327 4.088 0.268 18 0 "[ . 1 . 2]" 1
971 1 100 ALA MB 2 95 LEU QB . . 4.730 4.764 4.219 5.532 0.802 16 1 "[ . 1 .+ 2]" 1
972 1 100 ALA MB 2 96 THR H . . 4.690 4.769 4.067 5.567 0.877 16 1 "[ . 1 .+ 2]" 1
973 1 100 ALA MB 2 96 THR HA . . 4.130 3.074 2.339 3.694 . 0 0 "[ . 1 . 2]" 1
974 1 100 ALA MB 2 96 THR HB . . 4.560 3.711 2.449 4.407 . 0 0 "[ . 1 . 2]" 1
975 1 100 ALA MB 2 96 THR MG . . 3.810 2.518 1.984 4.260 0.450 15 0 "[ . 1 . 2]" 1
976 1 100 ALA MB 2 97 TYR H . . 4.310 4.473 3.788 4.994 0.684 4 3 "[ -+* 1 . 2]" 1
977 1 101 ILE H 1 101 ILE HB . . 4.150 2.691 2.486 2.951 . 0 0 "[ . 1 . 2]" 1
978 1 101 ILE H 1 101 ILE MD . . 4.340 4.268 3.904 4.646 0.306 8 0 "[ . 1 . 2]" 1
979 1 101 ILE H 1 101 ILE HG13 . . 3.810 3.432 3.138 4.068 0.258 8 0 "[ . 1 . 2]" 1
980 1 101 ILE H 1 101 ILE MG . . 4.000 3.800 3.405 3.987 . 0 0 "[ . 1 . 2]" 1
981 1 101 ILE H 1 102 LYS H . . 4.500 4.285 3.972 4.436 . 0 0 "[ . 1 . 2]" 1
982 1 101 ILE H 2 94 TRP HE3 . . 5.250 5.072 3.797 5.948 0.698 7 2 "[ . + - . 2]" 1
983 1 101 ILE H 2 95 LEU H . . 4.000 3.194 2.679 3.907 . 0 0 "[ . 1 . 2]" 1
984 1 101 ILE H 2 95 LEU QB . . 3.840 3.224 2.580 3.595 . 0 0 "[ . 1 . 2]" 1
985 1 101 ILE H 2 95 LEU HG . . 4.640 4.133 2.874 5.516 0.876 5 4 "[ + 1- * * 2]" 1
986 1 101 ILE H 2 96 THR H . . 4.990 4.999 4.790 5.571 0.581 7 1 "[ . + 1 . 2]" 1
987 1 101 ILE H 2 96 THR HA . . 4.180 3.734 3.537 4.349 0.169 7 0 "[ . 1 . 2]" 1
988 1 101 ILE H 2 97 TYR H . . 5.260 5.718 5.293 6.186 0.926 1 10 "[+**** * 1* -. ** 2]" 1
989 1 101 ILE H 2 97 TYR QE . . 4.860 3.719 2.970 4.860 0.000 3 0 "[ . 1 . 2]" 1
990 1 101 ILE HA 1 101 ILE HG13 . . 3.940 2.825 2.387 3.111 . 0 0 "[ . 1 . 2]" 1
991 1 101 ILE HA 1 101 ILE MG . . 3.410 2.610 2.295 2.988 . 0 0 "[ . 1 . 2]" 1
992 1 101 ILE HA 1 102 LYS H . . 3.350 2.271 2.092 2.446 . 0 0 "[ . 1 . 2]" 1
993 1 101 ILE HA 1 102 LYS QD . . 4.230 3.538 3.110 4.576 0.346 10 0 "[ . 1 . 2]" 1
994 1 101 ILE HA 1 102 LYS QE . . 4.270 3.776 2.118 4.668 0.398 16 0 "[ . 1 . 2]" 1
995 1 101 ILE HA 2 94 TRP HE3 . . 5.500 5.671 4.238 7.085 1.585 7 7 "[* *. +* - . * *2]" 1
996 1 101 ILE HA 2 97 TYR QE . . 4.430 4.648 3.834 5.210 0.780 2 6 "[*+* * *1 . -2]" 1
997 1 101 ILE HB 1 101 ILE MD . . 3.720 2.380 2.257 2.489 . 0 0 "[ . 1 . 2]" 1
998 1 101 ILE HB 1 102 LYS H . . 4.380 4.198 3.933 4.506 0.126 9 0 "[ . 1 . 2]" 1
999 1 101 ILE HB 2 95 LEU QB . . 4.310 3.284 2.504 4.334 0.024 7 0 "[ . 1 . 2]" 1
1000 1 101 ILE MD 2 78 PHE QE . . 4.130 3.459 2.526 4.577 0.447 9 0 "[ . 1 . 2]" 1
1001 1 101 ILE MD 2 97 TYR QE . . 3.950 2.500 2.287 3.062 . 0 0 "[ . 1 . 2]" 1
1002 1 101 ILE HG13 1 101 ILE MG . . 3.430 3.226 3.170 3.268 . 0 0 "[ . 1 . 2]" 1
1003 1 101 ILE HG13 2 97 TYR QE . . 3.880 2.334 2.098 3.402 . 0 0 "[ . 1 . 2]" 1
1004 1 101 ILE MG 1 102 LYS H . . 3.670 2.561 2.163 3.113 . 0 0 "[ . 1 . 2]" 1
1005 1 101 ILE MG 1 102 LYS QD . . 4.250 4.464 3.618 5.172 0.922 10 3 "[ . - + . * 2]" 1
1006 1 101 ILE MG 1 102 LYS QE . . 4.360 4.015 2.110 5.161 0.801 4 4 "[ +. * - .* 2]" 1
1007 1 101 ILE MG 1 103 LEU H . . 4.770 4.459 3.932 4.959 0.189 15 0 "[ . 1 . 2]" 1
1008 1 102 LYS H 1 102 LYS HB3 . . 3.760 3.394 2.446 3.715 . 0 0 "[ . 1 . 2]" 1
1009 1 102 LYS H 1 102 LYS QD . . 3.610 2.683 1.825 3.777 0.167 10 0 "[ . 1 . 2]" 1
1010 1 102 LYS H 1 102 LYS QG . . 4.370 3.467 2.134 4.025 . 0 0 "[ . 1 . 2]" 1
1011 1 102 LYS H 1 103 LEU H . . 4.760 4.554 4.424 4.675 . 0 0 "[ . 1 . 2]" 1
1012 1 102 LYS H 2 95 LEU H . . 5.370 4.992 4.351 6.183 0.813 7 1 "[ . + 1 . 2]" 1
1013 1 102 LYS HA 1 102 LYS QD . . 3.870 3.324 2.429 4.092 0.222 15 0 "[ . 1 . 2]" 1
1014 1 102 LYS HA 1 102 LYS QE . . 4.800 4.137 3.497 4.704 . 0 0 "[ . 1 . 2]" 1
1015 1 102 LYS HA 1 103 LEU QD . . 4.210 3.418 3.003 4.978 0.768 20 1 "[ . 1 . +]" 1
1016 1 102 LYS HA 2 95 LEU H . . 4.220 3.325 2.645 4.380 0.160 7 0 "[ . 1 . 2]" 1
1017 1 102 LYS HB3 1 102 LYS QD . . 3.760 3.284 2.168 3.624 . 0 0 "[ . 1 . 2]" 1
1018 1 102 LYS HB3 1 102 LYS QE . . 3.760 3.460 3.222 3.856 0.096 18 0 "[ . 1 . 2]" 1
1019 1 102 LYS HB3 1 103 LEU H . . 4.090 3.349 2.893 4.184 0.094 13 0 "[ . 1 . 2]" 1
1020 1 102 LYS QD 2 94 TRP HE3 . . 4.100 3.527 3.089 4.777 0.677 7 1 "[ . + 1 . 2]" 1
1021 1 102 LYS QG 1 103 LEU H . . 4.450 3.894 3.149 4.298 . 0 0 "[ . 1 . 2]" 1
1022 1 102 LYS QG 2 94 TRP HE3 . . 4.820 4.277 3.166 6.533 1.713 7 2 "[ . + - . 2]" 1
1023 1 103 LEU H 1 103 LEU QB . . 3.730 2.246 2.122 2.533 . 0 0 "[ . 1 . 2]" 1
1024 1 103 LEU H 1 103 LEU QD . . 4.190 2.430 1.967 3.659 . 0 0 "[ . 1 . 2]" 1
1025 1 103 LEU H 1 104 ASP H . . 4.640 4.653 4.496 4.711 0.071 10 0 "[ . 1 . 2]" 1
1026 1 103 LEU H 1 110 PHE QE . . 4.730 4.472 3.979 4.975 0.245 8 0 "[ . 1 . 2]" 1
1027 1 103 LEU H 2 93 THR H . . 4.880 4.175 3.478 5.238 0.358 11 0 "[ . 1 . 2]" 1
1028 1 103 LEU H 2 93 THR MG . . 4.050 4.224 3.005 5.089 1.039 7 1 "[ . + 1 . 2]" 1
1029 1 103 LEU H 2 94 TRP HA . . 4.290 3.869 3.245 5.572 1.282 7 1 "[ . + 1 . 2]" 1
1030 1 103 LEU H 2 95 LEU H . . 4.430 4.241 3.590 5.107 0.677 7 2 "[ - . + 1 . 2]" 1
1031 1 103 LEU HA 1 103 LEU QD . . 3.510 2.568 2.049 3.010 . 0 0 "[ . 1 . 2]" 1
1032 1 103 LEU HA 1 103 LEU HG . . 3.450 2.398 2.261 2.855 . 0 0 "[ . 1 . 2]" 1
1033 1 103 LEU HA 1 104 ASP H . . 3.290 2.513 2.329 2.915 . 0 0 "[ . 1 . 2]" 1
1034 1 103 LEU HA 2 93 THR MG . . 5.120 5.492 4.698 5.952 0.832 7 5 "[ * .*+ *- . 2]" 1
1035 1 103 LEU QB 1 104 ASP H . . 3.330 2.379 1.873 3.137 . 0 0 "[ . 1 . 2]" 1
1036 1 103 LEU QB 1 110 PHE QE . . 2.660 2.214 2.020 2.596 . 0 0 "[ . 1 . 2]" 1
1037 1 103 LEU QB 2 93 THR H . . 5.500 3.877 3.168 4.825 . 0 0 "[ . 1 . 2]" 1
1038 1 103 LEU QB 2 93 THR HB . . 4.690 2.598 2.124 3.159 . 0 0 "[ . 1 . 2]" 1
1039 1 103 LEU QB 2 93 THR MG . . 4.510 3.420 2.451 3.928 . 0 0 "[ . 1 . 2]" 1
1040 1 103 LEU QD 1 104 ASP H . . 4.640 3.619 2.767 3.965 . 0 0 "[ . 1 . 2]" 1
1041 1 103 LEU QD 1 110 PHE QE . . 4.240 2.439 2.088 3.273 . 0 0 "[ . 1 . 2]" 1
1042 1 103 LEU QD 1 114 VAL HA . . 4.970 3.167 2.671 3.564 . 0 0 "[ . 1 . 2]" 1
1043 1 103 LEU QD 1 114 VAL MG2 . . 4.940 2.035 1.916 2.225 . 0 0 "[ . 1 . 2]" 1
1044 1 103 LEU QD 2 86 MET QB . . 3.630 3.187 2.734 4.795 1.165 20 1 "[ . 1 . +]" 1
1045 1 103 LEU QD 2 86 MET QG . . 4.380 3.362 2.415 4.481 0.101 20 0 "[ . 1 . 2]" 1
1046 1 103 LEU QD 2 93 THR HB . . 4.230 2.463 2.005 3.532 . 0 0 "[ . 1 . 2]" 1
1047 1 103 LEU QD 2 93 THR MG . . 3.760 2.088 1.878 2.817 . 0 0 "[ . 1 . 2]" 1
1048 1 103 LEU QD 2 94 TRP HA . . 4.280 3.698 2.615 4.843 0.563 20 1 "[ . 1 . +]" 1
1049 1 103 LEU QD 2 95 LEU H . . 4.330 3.118 2.069 4.745 0.415 20 0 "[ . 1 . 2]" 1
1050 1 103 LEU QD 2 95 LEU QB . . 3.930 2.098 1.955 2.610 . 0 0 "[ . 1 . 2]" 1
1051 1 103 LEU QD 2 95 LEU QD . . 3.820 2.550 2.086 3.069 . 0 0 "[ . 1 . 2]" 1
1052 1 103 LEU QD 2 96 THR H . . 5.500 5.337 4.825 6.180 0.680 20 1 "[ . 1 . +]" 1
1053 1 103 LEU HG 1 104 ASP H . . 3.740 3.385 1.863 4.179 0.439 14 0 "[ . 1 . 2]" 1
1054 1 103 LEU HG 1 110 PHE QE . . 4.640 4.442 4.066 5.399 0.759 14 1 "[ . 1 +. 2]" 1
1055 1 103 LEU HG 1 114 VAL HA . . 5.500 5.962 5.471 6.650 1.150 13 8 "[ * . * *- +*.* *2]" 1
1056 1 103 LEU HG 2 93 THR MG . . 4.990 4.522 4.151 5.306 0.316 20 0 "[ . 1 . 2]" 1
1057 1 104 ASP H 1 104 ASP HB2 . . 3.780 2.979 2.069 3.776 . 0 0 "[ . 1 . 2]" 1
1058 1 104 ASP H 1 105 ASP H . . 4.330 3.748 2.956 4.644 0.314 8 0 "[ . 1 . 2]" 1
1059 1 104 ASP H 1 106 LYS H . . 5.500 5.439 5.017 6.194 0.694 2 1 "[ + . 1 . 2]" 1
1060 1 104 ASP H 1 110 PHE QE . . 4.800 4.669 3.232 5.334 0.534 18 1 "[ . 1 . + 2]" 1
1061 1 104 ASP HA 1 105 ASP H . . 3.090 2.494 2.046 3.600 0.510 16 2 "[ . 1- .+ 2]" 1
1062 1 104 ASP HA 1 106 LYS H . . 3.770 3.744 3.124 5.213 1.443 2 4 "[ +* . *1 .- 2]" 1
1063 1 105 ASP H 1 105 ASP QB . . 3.790 2.488 2.144 3.214 . 0 0 "[ . 1 . 2]" 1
1064 1 105 ASP H 1 106 LYS H . . 3.420 2.990 1.969 4.297 0.877 2 2 "[ +- . 1 . 2]" 1
1065 1 105 ASP H 1 106 LYS HA . . 5.000 5.325 4.487 6.037 1.037 3 9 "[**+ . * 1* - ***2]" 1
1066 1 105 ASP H 1 106 LYS QD . . 4.370 3.688 2.677 5.232 0.862 16 1 "[ . 1 .+ 2]" 1
1067 1 105 ASP H 1 106 LYS QG . . 4.730 4.439 2.661 5.674 0.944 3 4 "[- + . * 1* . 2]" 1
1068 1 105 ASP H 1 107 ASP H . . 5.060 4.782 3.962 5.932 0.872 2 2 "[ +- . 1 . 2]" 1
1069 1 105 ASP H 1 110 PHE QE . . 5.350 4.723 3.178 6.473 1.123 8 3 "[ . +-* . 2]" 1
1070 1 105 ASP HA 1 106 LYS QD . . 4.780 4.669 4.020 5.121 0.341 11 0 "[ . 1 . 2]" 1
1071 1 105 ASP HA 1 107 ASP H . . 3.720 3.584 3.166 4.272 0.552 19 1 "[ . 1 . +2]" 1
1072 1 105 ASP HA 1 110 PHE HA . . 4.870 4.747 4.025 5.885 1.015 10 4 "[ . - + . * *2]" 1
1073 1 105 ASP HA 1 110 PHE QB . . 3.850 2.638 2.115 3.640 . 0 0 "[ . 1 . 2]" 1
1074 1 105 ASP HA 1 110 PHE QE . . 4.050 3.846 2.933 4.524 0.474 8 0 "[ . 1 . 2]" 1
1075 1 105 ASP QB 1 106 LYS H . . 4.580 3.902 3.350 4.104 . 0 0 "[ . 1 . 2]" 1
1076 1 105 ASP QB 1 110 PHE QB . . 5.360 4.111 3.470 5.082 . 0 0 "[ . 1 . 2]" 1
1077 1 105 ASP QB 1 110 PHE QE . . 3.670 3.208 2.526 5.058 1.388 8 2 "[ . + - . 2]" 1
1078 1 106 LYS H 1 106 LYS HB3 . . 3.950 3.714 3.418 4.011 0.061 2 0 "[ . 1 . 2]" 1
1079 1 106 LYS H 1 106 LYS QD . . 3.730 2.671 1.871 3.768 0.038 9 0 "[ . 1 . 2]" 1
1080 1 106 LYS H 1 106 LYS QG . . 3.430 3.007 2.261 3.994 0.564 3 1 "[ + . 1 . 2]" 1
1081 1 106 LYS H 1 107 ASP H . . 3.030 2.464 1.737 2.935 . 0 0 "[ . 1 . 2]" 1
1082 1 106 LYS HA 1 106 LYS HB3 . . 2.980 2.425 2.192 2.672 . 0 0 "[ . 1 . 2]" 1
1083 1 106 LYS HA 1 106 LYS QD . . 4.050 3.263 2.016 4.030 . 0 0 "[ . 1 . 2]" 1
1084 1 106 LYS HA 1 106 LYS QG . . 3.530 2.679 2.272 3.244 . 0 0 "[ . 1 . 2]" 1
1085 1 106 LYS HA 1 107 ASP H . . 3.370 3.322 2.930 3.558 0.188 2 0 "[ . 1 . 2]" 1
1086 1 106 LYS QD 1 107 ASP H . . 4.530 4.449 2.586 5.167 0.637 3 1 "[ + . 1 . 2]" 1
1087 1 107 ASP H 1 107 ASP HB2 . . 3.070 2.531 2.249 2.815 . 0 0 "[ . 1 . 2]" 1
1088 1 107 ASP H 1 109 GLN H . . 4.740 5.041 4.385 5.662 0.922 19 4 "[ * . 1 * . - +2]" 1
1089 1 107 ASP H 1 110 PHE H . . 4.110 4.172 3.755 4.690 0.580 19 2 "[ . - . +2]" 1
1090 1 107 ASP H 1 110 PHE QB . . 3.960 3.105 2.663 3.491 . 0 0 "[ . 1 . 2]" 1
1091 1 107 ASP HA 1 108 PRO HD2 . . 3.410 2.442 2.258 2.598 . 0 0 "[ . 1 . 2]" 1
1092 1 107 ASP HB2 1 108 PRO HA . . 5.280 5.422 4.887 5.869 0.589 6 1 "[ .+ 1 . 2]" 1
1093 1 107 ASP HB2 1 108 PRO HD2 . . 3.720 3.915 3.386 4.448 0.728 8 1 "[ . + 1 . 2]" 1
1094 1 107 ASP HB2 1 108 PRO HG2 . . 5.220 5.559 4.573 6.105 0.885 8 7 "[ .* + * * . - **]" 1
1095 1 107 ASP HB2 1 109 GLN H . . 4.020 3.641 2.352 4.495 0.475 6 0 "[ . 1 . 2]" 1
1096 1 107 ASP HB2 1 110 PHE H . . 3.980 3.540 2.818 4.415 0.435 6 0 "[ . 1 . 2]" 1
1097 1 108 PRO HD2 1 109 GLN H . . 3.640 2.775 2.511 3.115 . 0 0 "[ . 1 . 2]" 1
1098 1 108 PRO HD2 1 109 GLN HG2 . . 4.210 3.937 2.876 4.692 0.482 12 0 "[ . 1 . 2]" 1
1099 1 108 PRO HD2 1 110 PHE H . . 4.850 4.833 4.502 5.066 0.216 2 0 "[ . 1 . 2]" 1
1100 1 108 PRO HG2 1 109 GLN HG2 . . 3.780 2.757 2.341 3.069 . 0 0 "[ . 1 . 2]" 1
1101 1 109 GLN H 1 109 GLN HB2 . . 2.920 2.375 2.202 2.588 . 0 0 "[ . 1 . 2]" 1
1102 1 109 GLN H 1 109 GLN QE . . 4.550 3.966 2.981 4.839 0.289 13 0 "[ . 1 . 2]" 1
1103 1 109 GLN H 1 109 GLN HG2 . . 3.490 2.476 2.070 2.973 . 0 0 "[ . 1 . 2]" 1
1104 1 109 GLN H 1 110 PHE H . . 3.400 2.693 2.367 2.943 . 0 0 "[ . 1 . 2]" 1
1105 1 109 GLN H 1 110 PHE QB . . 4.710 4.326 4.019 4.635 . 0 0 "[ . 1 . 2]" 1
1106 1 109 GLN H 1 111 LYS H . . 4.750 4.978 4.634 5.441 0.691 8 2 "[- . + 1 . 2]" 1
1107 1 109 GLN H 1 113 ASN QD . . 5.140 5.047 4.481 6.982 1.842 3 1 "[ + . 1 . 2]" 1
1108 1 109 GLN HA 1 109 GLN HG2 . . 3.320 2.967 2.544 3.364 0.044 16 0 "[ . 1 . 2]" 1
1109 1 109 GLN HA 1 110 PHE H . . 3.520 3.375 3.102 3.523 0.003 9 0 "[ . 1 . 2]" 1
1110 1 109 GLN HA 1 111 LYS H . . 4.160 3.970 3.429 4.476 0.316 15 0 "[ . 1 . 2]" 1
1111 1 109 GLN HA 1 112 ASP HB2 . . 3.690 3.083 2.297 3.807 0.117 16 0 "[ . 1 . 2]" 1
1112 1 109 GLN HB2 1 109 GLN HG2 . . 2.710 2.555 2.431 2.775 0.065 19 0 "[ . 1 . 2]" 1
1113 1 109 GLN HB2 1 110 PHE H . . 3.850 3.531 3.049 3.994 0.144 17 0 "[ . 1 . 2]" 1
1114 1 109 GLN HB2 1 112 ASP HB2 . . 4.960 5.130 4.233 5.903 0.943 15 6 "[ * * -** + 2]" 1
1115 1 109 GLN HB2 1 113 ASN H . . 5.460 5.312 5.010 5.763 0.303 16 0 "[ . 1 . 2]" 1
1116 1 109 GLN HB2 1 113 ASN QD . . 4.430 3.424 2.902 5.092 0.662 3 1 "[ + . 1 . 2]" 1
1117 1 109 GLN HE21 1 109 GLN HG2 . . 3.580 2.430 2.166 2.685 . 0 0 "[ . 1 . 2]" 1
1118 1 109 GLN HE22 1 109 GLN HG2 . . 3.580 3.614 3.499 3.727 0.147 17 0 "[ . 1 . 2]" 1
1119 1 109 GLN HG2 1 110 PHE H . . 4.730 4.787 4.435 5.008 0.278 7 0 "[ . 1 . 2]" 1
1120 1 110 PHE H 1 110 PHE QB . . 3.000 2.120 2.042 2.178 . 0 0 "[ . 1 . 2]" 1
1121 1 110 PHE H 1 111 LYS H . . 3.360 2.908 2.679 3.175 . 0 0 "[ . 1 . 2]" 1
1122 1 110 PHE H 1 111 LYS HA . . 5.440 5.484 5.303 5.654 0.214 15 0 "[ . 1 . 2]" 1
1123 1 110 PHE H 1 111 LYS HG3 . . 4.710 4.788 4.170 5.693 0.983 17 3 "[ * . 1 . + -2]" 1
1124 1 110 PHE H 1 113 ASN H . . 4.930 4.818 4.607 5.138 0.208 8 0 "[ . 1 . 2]" 1
1125 1 110 PHE H 1 113 ASN QD . . 4.440 4.351 3.819 6.313 1.873 3 2 "[ + . 1 . - 2]" 1
1126 1 110 PHE HA 1 113 ASN H . . 3.820 3.547 3.200 3.876 0.056 14 0 "[ . 1 . 2]" 1
1127 1 110 PHE HA 1 113 ASN HB2 . . 3.670 2.627 2.159 3.410 . 0 0 "[ . 1 . 2]" 1
1128 1 110 PHE HA 1 113 ASN QD . . 4.240 3.092 2.284 4.661 0.421 3 0 "[ . 1 . 2]" 1
1129 1 110 PHE HA 1 114 VAL MG2 . . 4.410 4.017 3.704 4.285 . 0 0 "[ . 1 . 2]" 1
1130 1 110 PHE QB 1 111 LYS H . . 2.970 2.604 2.317 3.013 0.043 16 0 "[ . 1 . 2]" 1
1131 1 110 PHE QB 1 111 LYS HG3 . . 4.280 3.827 3.227 5.022 0.742 19 2 "[ - . 1 . +2]" 1
1132 1 110 PHE QE 1 111 LYS HA . . 5.140 4.808 3.953 5.256 0.116 3 0 "[ . 1 . 2]" 1
1133 1 110 PHE QE 1 114 VAL H . . 5.350 5.165 4.703 6.045 0.695 14 2 "[ . 1 +. - 2]" 1
1134 1 110 PHE QE 1 114 VAL MG2 . . 3.310 2.613 2.262 3.658 0.348 14 0 "[ . 1 . 2]" 1
1135 1 110 PHE QE 2 93 THR H . . 4.040 3.855 3.068 4.807 0.767 15 1 "[ . 1 + 2]" 1
1136 1 110 PHE QE 2 93 THR HB . . 3.090 2.706 2.263 3.711 0.621 17 1 "[ . 1 . + 2]" 1
1137 1 110 PHE QE 2 93 THR MG . . 3.790 3.589 2.873 4.457 0.667 17 1 "[ . 1 . + 2]" 1
1138 1 111 LYS H 1 111 LYS HB3 . . 3.720 3.569 2.715 3.647 . 0 0 "[ . 1 . 2]" 1
1139 1 111 LYS H 1 111 LYS QE . . 4.040 3.830 2.673 5.141 1.101 8 2 "[ - + 1 . 2]" 1
1140 1 111 LYS H 1 111 LYS HG3 . . 3.070 2.414 1.934 3.400 0.330 19 0 "[ . 1 . 2]" 1
1141 1 111 LYS H 1 112 ASP H . . 3.320 2.837 2.615 2.963 . 0 0 "[ . 1 . 2]" 1
1142 1 111 LYS H 1 113 ASN H . . 4.070 4.100 3.777 4.457 0.387 8 0 "[ . 1 . 2]" 1
1143 1 111 LYS H 1 114 VAL H . . 5.250 4.877 4.687 5.072 . 0 0 "[ . 1 . 2]" 1
1144 1 111 LYS H 1 114 VAL MG2 . . 5.110 4.813 4.111 5.300 0.190 3 0 "[ . 1 . 2]" 1
1145 1 111 LYS HA 1 111 LYS HB3 . . 2.990 2.486 2.330 2.578 . 0 0 "[ . 1 . 2]" 1
1146 1 111 LYS HA 1 111 LYS HG3 . . 3.600 3.201 2.578 3.853 0.253 19 0 "[ . 1 . 2]" 1
1147 1 111 LYS HA 1 113 ASN H . . 4.380 4.353 4.115 4.589 0.209 11 0 "[ . 1 . 2]" 1
1148 1 111 LYS HA 1 113 ASN HB2 . . 5.170 5.232 4.839 5.622 0.452 20 0 "[ . 1 . 2]" 1
1149 1 111 LYS HA 1 114 VAL H . . 3.980 3.577 3.142 4.018 0.038 19 0 "[ . 1 . 2]" 1
1150 1 111 LYS HA 1 114 VAL MG2 . . 4.080 3.387 2.339 4.047 . 0 0 "[ . 1 . 2]" 1
1151 1 111 LYS HB3 1 111 LYS QE . . 3.930 3.230 2.295 4.225 0.295 4 0 "[ . 1 . 2]" 1
1152 1 111 LYS HB3 1 112 ASP H . . 3.820 3.567 3.281 4.127 0.307 15 0 "[ . 1 . 2]" 1
1153 1 112 ASP H 1 112 ASP HB2 . . 2.980 2.239 2.050 2.450 . 0 0 "[ . 1 . 2]" 1
1154 1 112 ASP H 1 113 ASN H . . 3.450 2.660 2.448 2.785 . 0 0 "[ . 1 . 2]" 1
1155 1 112 ASP HA 1 115 ILE H . . 3.840 3.442 3.147 3.835 . 0 0 "[ . 1 . 2]" 1
1156 1 112 ASP HA 1 115 ILE HB . . 3.810 2.688 2.108 3.322 . 0 0 "[ . 1 . 2]" 1
1157 1 112 ASP HA 1 115 ILE MD . . 3.520 2.504 2.184 3.081 . 0 0 "[ . 1 . 2]" 1
1158 1 112 ASP HA 1 115 ILE QG . . 4.550 3.772 3.173 4.271 . 0 0 "[ . 1 . 2]" 1
1159 1 112 ASP HA 1 115 ILE MG . . 4.460 4.032 3.265 4.691 0.231 9 0 "[ . 1 . 2]" 1
1160 1 112 ASP HB2 1 113 ASN H . . 3.260 3.091 2.717 3.578 0.318 8 0 "[ . 1 . 2]" 1
1161 1 112 ASP HB2 1 115 ILE MD . . 4.980 4.925 4.369 5.615 0.635 1 1 "[+ . 1 . 2]" 1
1162 1 113 ASN H 1 113 ASN HB2 . . 3.570 2.413 2.247 2.654 . 0 0 "[ . 1 . 2]" 1
1163 1 113 ASN H 1 113 ASN QD . . 3.610 2.975 1.994 4.101 0.491 3 0 "[ . 1 . 2]" 1
1164 1 113 ASN H 1 114 VAL H . . 3.600 2.745 2.549 2.908 . 0 0 "[ . 1 . 2]" 1
1165 1 113 ASN H 1 114 VAL MG2 . . 4.370 4.337 3.834 4.819 0.449 4 0 "[ . 1 . 2]" 1
1166 1 113 ASN H 1 116 LEU H . . 4.950 4.717 4.513 4.930 . 0 0 "[ . 1 . 2]" 1
1167 1 113 ASN H 1 116 LEU QB . . 5.500 4.684 4.345 4.949 . 0 0 "[ . 1 . 2]" 1
1168 1 113 ASN HA 1 113 ASN QD . . 4.520 3.504 2.259 4.193 . 0 0 "[ . 1 . 2]" 1
1169 1 113 ASN HA 1 114 VAL HA . . 5.010 4.808 4.736 4.886 . 0 0 "[ . 1 . 2]" 1
1170 1 113 ASN HA 1 116 LEU H . . 4.010 3.494 3.091 3.811 . 0 0 "[ . 1 . 2]" 1
1171 1 113 ASN HA 1 116 LEU QB . . 4.330 2.557 2.109 3.145 . 0 0 "[ . 1 . 2]" 1
1172 1 113 ASN HA 1 116 LEU HG . . 5.430 4.833 4.253 5.630 0.200 3 0 "[ . 1 . 2]" 1
1173 1 113 ASN HA 1 117 LEU QD . . 4.260 4.021 3.323 4.709 0.449 6 0 "[ . 1 . 2]" 1
1174 1 113 ASN HB2 1 114 VAL H . . 3.830 2.726 2.472 3.111 . 0 0 "[ . 1 . 2]" 1
1175 1 113 ASN QD 1 114 VAL H . . 5.340 4.635 4.041 5.134 . 0 0 "[ . 1 . 2]" 1
1176 1 114 VAL H 1 114 VAL HB . . 3.420 2.426 2.210 2.774 . 0 0 "[ . 1 . 2]" 1
1177 1 114 VAL H 1 114 VAL MG2 . . 3.670 2.234 2.066 2.516 . 0 0 "[ . 1 . 2]" 1
1178 1 114 VAL H 1 115 ILE H . . 3.770 2.777 2.637 2.904 . 0 0 "[ . 1 . 2]" 1
1179 1 114 VAL H 1 115 ILE QG . . 5.340 4.420 4.020 4.666 . 0 0 "[ . 1 . 2]" 1
1180 1 114 VAL H 1 117 LEU QD . . 4.570 4.235 3.770 5.407 0.837 6 1 "[ .+ 1 . 2]" 1
1181 1 114 VAL HA 1 114 VAL MG2 . . 3.550 2.339 2.208 2.486 . 0 0 "[ . 1 . 2]" 1
1182 1 114 VAL HA 1 116 LEU H . . 4.540 4.630 4.467 4.901 0.361 18 0 "[ . 1 . 2]" 1
1183 1 114 VAL HA 1 116 LEU QB . . 5.360 5.115 4.903 5.449 0.089 7 0 "[ . 1 . 2]" 1
1184 1 114 VAL HA 1 117 LEU H . . 4.360 3.604 3.321 3.827 . 0 0 "[ . 1 . 2]" 1
1185 1 114 VAL HA 1 117 LEU QD . . 3.940 2.713 2.163 3.719 . 0 0 "[ . 1 . 2]" 1
1186 1 114 VAL HA 1 118 ASN H . . 4.560 3.952 3.719 4.151 . 0 0 "[ . 1 . 2]" 1
1187 1 114 VAL HA 2 86 MET ME . . 3.750 3.126 2.104 4.597 0.847 6 2 "[ - .+ 1 . 2]" 1
1188 1 114 VAL HA 2 93 THR MG . . 4.400 3.994 3.340 4.604 0.204 4 0 "[ . 1 . 2]" 1
1189 1 114 VAL HB 1 115 ILE H . . 3.400 2.745 2.549 2.929 . 0 0 "[ . 1 . 2]" 1
1190 1 114 VAL MG2 1 115 ILE H . . 4.160 4.015 3.712 4.187 0.027 4 0 "[ . 1 . 2]" 1
1191 1 114 VAL MG2 1 116 LEU H . . 5.360 5.606 5.307 5.835 0.475 4 0 "[ . 1 . 2]" 1
1192 1 114 VAL MG2 1 117 LEU QD . . 5.300 3.529 2.890 4.522 . 0 0 "[ . 1 . 2]" 1
1193 1 114 VAL MG2 2 86 MET ME . . 4.770 3.912 2.926 5.098 0.328 3 0 "[ . 1 . 2]" 1
1194 1 114 VAL MG2 2 93 THR HB . . 4.750 3.268 2.806 3.918 . 0 0 "[ . 1 . 2]" 1
1195 1 114 VAL MG2 2 93 THR MG . . 3.920 2.297 1.985 2.807 . 0 0 "[ . 1 . 2]" 1
1196 1 115 ILE H 1 115 ILE HB . . 3.690 2.401 2.208 2.562 . 0 0 "[ . 1 . 2]" 1
1197 1 115 ILE H 1 115 ILE QG . . 3.740 2.219 2.030 2.455 . 0 0 "[ . 1 . 2]" 1
1198 1 115 ILE H 1 115 ILE MG . . 3.770 3.753 3.670 3.792 0.022 20 0 "[ . 1 . 2]" 1
1199 1 115 ILE H 1 116 LEU H . . 3.610 2.738 2.500 2.854 . 0 0 "[ . 1 . 2]" 1
1200 1 115 ILE H 1 117 LEU H . . 4.540 4.228 3.946 4.585 0.045 6 0 "[ . 1 . 2]" 1
1201 1 115 ILE H 1 118 ASN QB . . 5.240 4.855 4.402 5.141 . 0 0 "[ . 1 . 2]" 1
1202 1 115 ILE HA 1 115 ILE MD . . 4.030 3.881 3.821 3.947 . 0 0 "[ . 1 . 2]" 1
1203 1 115 ILE HA 1 115 ILE QG . . 3.320 2.410 2.298 2.546 . 0 0 "[ . 1 . 2]" 1
1204 1 115 ILE HA 1 115 ILE MG . . 3.430 2.488 2.268 2.650 . 0 0 "[ . 1 . 2]" 1
1205 1 115 ILE HA 1 118 ASN H . . 3.940 3.537 3.284 3.763 . 0 0 "[ . 1 . 2]" 1
1206 1 115 ILE HA 1 118 ASN QB . . 3.770 2.591 2.061 2.917 . 0 0 "[ . 1 . 2]" 1
1207 1 115 ILE HA 1 118 ASN QD . . 4.730 3.221 2.509 3.905 . 0 0 "[ . 1 . 2]" 1
1208 1 115 ILE HA 1 119 LYS H . . 4.270 4.042 3.669 4.521 0.251 14 0 "[ . 1 . 2]" 1
1209 1 115 ILE HA 2 86 MET ME . . 5.210 5.089 4.423 7.111 1.901 6 3 "[ .+ 1- * 2]" 1
1210 1 115 ILE HB 1 115 ILE MD . . 3.290 2.345 2.293 2.456 . 0 0 "[ . 1 . 2]" 1
1211 1 115 ILE HB 1 116 LEU H . . 3.460 2.667 2.428 2.912 . 0 0 "[ . 1 . 2]" 1
1212 1 115 ILE QG 1 115 ILE MG . . 3.130 2.261 2.192 2.398 . 0 0 "[ . 1 . 2]" 1
1213 1 115 ILE QG 1 118 ASN QB . . 4.970 4.306 4.010 4.625 . 0 0 "[ . 1 . 2]" 1
1214 1 115 ILE MG 1 116 LEU H . . 3.800 3.364 2.889 3.769 . 0 0 "[ . 1 . 2]" 1
1215 1 115 ILE MG 1 118 ASN QB . . 4.280 3.890 3.214 4.285 0.005 14 0 "[ . 1 . 2]" 1
1216 1 116 LEU H 1 116 LEU QB . . 3.560 2.172 2.113 2.239 . 0 0 "[ . 1 . 2]" 1
1217 1 116 LEU H 1 116 LEU QD . . 4.170 3.696 3.576 3.781 . 0 0 "[ . 1 . 2]" 1
1218 1 116 LEU H 1 116 LEU HG . . 4.670 4.431 4.294 4.594 . 0 0 "[ . 1 . 2]" 1
1219 1 116 LEU H 1 117 LEU H . . 3.840 2.783 2.604 2.914 . 0 0 "[ . 1 . 2]" 1
1220 1 116 LEU H 1 118 ASN QB . . 5.470 5.039 4.526 5.353 . 0 0 "[ . 1 . 2]" 1
1221 1 116 LEU H 1 118 ASN QD . . 5.420 5.438 4.786 6.536 1.116 9 2 "[ . +1 -. 2]" 1
1222 1 116 LEU HA 1 116 LEU QD . . 3.160 2.233 2.092 2.385 . 0 0 "[ . 1 . 2]" 1
1223 1 116 LEU HA 1 116 LEU HG . . 3.580 3.179 2.647 3.414 . 0 0 "[ . 1 . 2]" 1
1224 1 116 LEU HA 1 119 LYS H . . 3.930 3.658 3.260 3.970 0.040 11 0 "[ . 1 . 2]" 1
1225 1 116 LEU HA 1 120 HIS HD2 . . 4.750 4.280 3.472 5.127 0.377 19 0 "[ . 1 . 2]" 1
1226 1 116 LEU HA 1 120 HIS HE2 . . 5.450 5.245 4.724 5.798 0.348 19 0 "[ . 1 . 2]" 1
1227 1 116 LEU QB 1 117 LEU H . . 3.480 2.561 2.378 2.830 . 0 0 "[ . 1 . 2]" 1
1228 1 116 LEU QD 1 117 LEU HA . . 5.060 4.211 4.007 4.609 . 0 0 "[ . 1 . 2]" 1
1229 1 116 LEU QD 1 120 HIS HD2 . . 4.080 3.318 2.668 4.823 0.743 9 2 "[ . +1 . - 2]" 1
1230 1 116 LEU QD 1 120 HIS HE1 . . 5.050 4.174 3.395 4.987 . 0 0 "[ . 1 . 2]" 1
1231 1 116 LEU QD 1 120 HIS HE2 . . 3.890 2.917 2.331 4.336 0.446 9 0 "[ . 1 . 2]" 1
1232 1 116 LEU HG 1 117 LEU H . . 4.000 3.695 3.215 4.298 0.298 3 0 "[ . 1 . 2]" 1
1233 1 116 LEU HG 1 117 LEU HA . . 4.300 3.752 3.401 4.336 0.036 18 0 "[ . 1 . 2]" 1
1234 1 116 LEU HG 1 117 LEU QD . . 5.380 3.840 2.509 4.858 . 0 0 "[ . 1 . 2]" 1
1235 1 116 LEU HG 1 119 LYS HB3 . . 5.230 4.863 4.083 5.514 0.284 17 0 "[ . 1 . 2]" 1
1236 1 116 LEU HG 1 120 HIS HD2 . . 4.450 4.343 3.379 5.101 0.651 12 2 "[ . 1 + . -2]" 1
1237 1 116 LEU HG 1 120 HIS HE2 . . 4.740 4.453 3.621 5.240 0.500 12 0 "[ . 1 . 2]" 1
1238 1 117 LEU H 1 117 LEU QD . . 4.090 3.114 2.353 3.353 . 0 0 "[ . 1 . 2]" 1
1239 1 117 LEU H 1 117 LEU HG . . 3.350 2.659 2.254 4.071 0.721 5 1 "[ + 1 . 2]" 1
1240 1 117 LEU H 1 121 ILE MD . . 5.160 5.513 4.859 6.472 1.312 13 8 "[ *.* - * *+*. *]" 1
1241 1 117 LEU HA 1 117 LEU QD . . 4.070 2.235 2.111 2.941 . 0 0 "[ . 1 . 2]" 1
1242 1 117 LEU HA 1 117 LEU HG . . 3.670 2.816 2.258 3.202 . 0 0 "[ . 1 . 2]" 1
1243 1 117 LEU HA 1 120 HIS H . . 3.760 3.592 3.305 3.998 0.238 3 0 "[ . 1 . 2]" 1
1244 1 117 LEU HA 1 120 HIS HD2 . . 4.460 4.541 3.595 5.567 1.107 19 4 "[ . -1 * . *+2]" 1
1245 1 117 LEU HA 2 86 MET ME . . 4.240 4.060 3.728 4.385 0.145 9 0 "[ . 1 . 2]" 1
1246 1 117 LEU HB3 1 118 ASN H . . 4.190 3.482 3.179 3.828 . 0 0 "[ . 1 . 2]" 1
1247 1 117 LEU HB3 1 121 ILE MD . . 4.220 2.877 2.184 3.654 . 0 0 "[ . 1 . 2]" 1
1248 1 117 LEU HB3 2 86 MET ME . . 3.300 2.347 2.092 2.838 . 0 0 "[ . 1 . 2]" 1
1249 1 117 LEU QD 2 86 MET ME . . 3.220 2.828 2.028 3.430 0.210 5 0 "[ . 1 . 2]" 1
1250 1 117 LEU QD 2 86 MET QG . . 5.210 3.819 2.422 4.744 . 0 0 "[ . 1 . 2]" 1
1251 1 117 LEU QD 2 95 LEU QD . . 4.010 2.869 2.022 3.760 . 0 0 "[ . 1 . 2]" 1
1252 1 118 ASN H 1 118 ASN QB . . 3.230 2.314 2.174 2.477 . 0 0 "[ . 1 . 2]" 1
1253 1 118 ASN H 1 118 ASN QD . . 3.910 2.791 2.207 3.780 . 0 0 "[ . 1 . 2]" 1
1254 1 118 ASN H 1 119 LYS H . . 3.360 2.791 2.638 2.954 . 0 0 "[ . 1 . 2]" 1
1255 1 118 ASN H 1 119 LYS HA . . 5.480 5.390 5.278 5.551 0.071 13 0 "[ . 1 . 2]" 1
1256 1 118 ASN H 1 120 HIS H . . 4.310 4.326 3.936 4.569 0.259 3 0 "[ . 1 . 2]" 1
1257 1 118 ASN H 1 121 ILE MD . . 4.210 4.282 3.448 5.633 1.423 13 3 "[ -* 1 + . 2]" 1
1258 1 118 ASN HA 1 120 HIS H . . 3.970 4.216 3.681 4.640 0.670 8 3 "[ -* . + 1 . 2]" 1
1259 1 118 ASN HA 1 121 ILE H . . 4.010 3.254 2.997 3.522 . 0 0 "[ . 1 . 2]" 1
1260 1 118 ASN HA 1 121 ILE HB . . 4.580 2.604 2.193 3.205 . 0 0 "[ . 1 . 2]" 1
1261 1 118 ASN HA 1 121 ILE MD . . 3.900 2.954 2.177 4.640 0.740 13 1 "[ . 1 + . 2]" 1
1262 1 118 ASN HA 2 86 MET ME . . 3.820 2.741 2.046 4.347 0.527 15 1 "[ . 1 + 2]" 1
1263 1 118 ASN QB 1 119 LYS H . . 3.710 2.741 2.555 3.040 . 0 0 "[ . 1 . 2]" 1
1264 1 118 ASN QB 1 119 LYS HA . . 4.890 3.864 3.739 4.110 . 0 0 "[ . 1 . 2]" 1
1265 1 118 ASN QB 2 86 MET ME . . 4.140 3.574 3.174 5.150 1.010 6 2 "[ .+ 1 - 2]" 1
1266 1 118 ASN QD 1 119 LYS H . . 5.080 4.683 4.304 5.325 0.245 9 0 "[ . 1 . 2]" 1
1267 1 118 ASN QD 2 86 MET ME . . 4.110 2.443 2.073 3.985 . 0 0 "[ . 1 . 2]" 1
1268 1 118 ASN QD 2 86 MET QG . . 4.830 3.187 2.526 3.982 . 0 0 "[ . 1 . 2]" 1
1269 1 119 LYS H 1 119 LYS HB3 . . 3.030 2.458 2.276 2.649 . 0 0 "[ . 1 . 2]" 1
1270 1 119 LYS H 1 119 LYS HD3 . . 4.810 4.791 4.592 5.164 0.354 9 0 "[ . 1 . 2]" 1
1271 1 119 LYS H 1 119 LYS HG3 . . 4.440 4.465 4.331 4.559 0.119 12 0 "[ . 1 . 2]" 1
1272 1 119 LYS H 1 120 HIS H . . 3.130 2.797 2.603 3.023 . 0 0 "[ . 1 . 2]" 1
1273 1 119 LYS H 1 120 HIS HD2 . . 4.060 4.309 3.720 4.965 0.905 19 3 "[ . - 1 . *+2]" 1
1274 1 119 LYS HA 1 119 LYS HD3 . . 3.740 2.447 2.201 3.948 0.208 9 0 "[ . 1 . 2]" 1
1275 1 119 LYS HA 1 119 LYS HE2 . . 3.340 3.162 2.211 4.211 0.871 9 3 "[ . +- .* 2]" 1
1276 1 119 LYS HA 1 119 LYS HG3 . . 3.510 3.251 3.024 3.451 . 0 0 "[ . 1 . 2]" 1
1277 1 119 LYS HA 1 120 HIS H . . 3.530 3.560 3.498 3.612 0.082 15 0 "[ . 1 . 2]" 1
1278 1 119 LYS HA 1 121 ILE H . . 4.810 4.626 4.242 5.175 0.365 20 0 "[ . 1 . 2]" 1
1279 1 119 LYS HB3 1 119 LYS HD3 . . 3.770 3.799 3.624 3.858 0.088 3 0 "[ . 1 . 2]" 1
1280 1 119 LYS HB3 1 120 HIS H . . 3.350 2.736 2.452 3.071 . 0 0 "[ . 1 . 2]" 1
1281 1 119 LYS HB3 1 120 HIS HE2 . . 4.450 4.523 3.906 5.000 0.550 5 3 "[ + - 1 . * 2]" 1
1282 1 119 LYS HB3 1 121 ILE H . . 5.310 5.134 4.924 5.480 0.170 20 0 "[ . 1 . 2]" 1
1283 1 119 LYS HD3 1 120 HIS HD2 . . 5.190 5.180 4.440 6.075 0.885 1 2 "[+ . 1 -. 2]" 1
1284 1 119 LYS HE2 1 119 LYS HG3 . . 4.040 3.737 2.563 4.273 0.233 16 0 "[ . 1 . 2]" 1
1285 1 119 LYS HG3 1 120 HIS H . . 3.880 3.783 3.304 4.200 0.320 11 0 "[ . 1 . 2]" 1
1286 1 119 LYS HG3 1 120 HIS HD2 . . 4.510 2.961 2.315 3.911 . 0 0 "[ . 1 . 2]" 1
1287 1 120 HIS H 1 120 HIS HD2 . . 3.660 2.544 2.169 3.307 . 0 0 "[ . 1 . 2]" 1
1288 1 120 HIS H 1 120 HIS HE2 . . 5.500 5.052 4.749 5.586 0.086 18 0 "[ . 1 . 2]" 1
1289 1 120 HIS H 1 121 ILE H . . 3.610 2.578 2.282 2.856 . 0 0 "[ . 1 . 2]" 1
1290 1 120 HIS H 1 121 ILE HA . . 5.100 5.217 5.005 5.420 0.320 8 0 "[ . 1 . 2]" 1
1291 1 120 HIS H 1 121 ILE HB . . 4.640 4.697 4.361 4.994 0.354 12 0 "[ . 1 . 2]" 1
1292 1 120 HIS H 1 122 ASP H . . 4.150 4.390 3.692 5.089 0.939 17 3 "[ .* 1 . + -2]" 1
1293 1 120 HIS H 1 123 ALA H . . 5.100 4.919 4.640 5.413 0.313 12 0 "[ . 1 . 2]" 1
1294 1 120 HIS H 1 123 ALA MB . . 4.520 4.470 4.228 4.623 0.103 5 0 "[ . 1 . 2]" 1
1295 1 120 HIS HA 1 123 ALA H . . 4.380 3.697 3.301 4.354 . 0 0 "[ . 1 . 2]" 1
1296 1 120 HIS HA 1 123 ALA MB . . 4.130 2.380 2.094 2.846 . 0 0 "[ . 1 . 2]" 1
1297 1 120 HIS HB3 1 121 ILE H . . 4.230 3.629 3.257 3.944 . 0 0 "[ . 1 . 2]" 1
1298 1 120 HIS HB3 1 123 ALA H . . 5.500 5.351 5.032 5.909 0.409 12 0 "[ . 1 . 2]" 1
1299 1 120 HIS HB3 1 123 ALA MB . . 4.490 4.304 3.998 4.681 0.191 12 0 "[ . 1 . 2]" 1
1300 1 121 ILE H 1 121 ILE HB . . 3.490 2.385 2.214 2.638 . 0 0 "[ . 1 . 2]" 1
1301 1 121 ILE H 1 121 ILE MG . . 3.940 3.763 3.695 3.843 . 0 0 "[ . 1 . 2]" 1
1302 1 121 ILE H 1 122 ASP HB2 . . 4.980 4.788 4.337 5.069 0.089 16 0 "[ . 1 . 2]" 1
1303 1 121 ILE H 1 123 ALA H . . 4.510 3.882 3.434 4.282 . 0 0 "[ . 1 . 2]" 1
1304 1 121 ILE H 1 123 ALA MB . . 4.700 4.462 4.097 4.809 0.109 20 0 "[ . 1 . 2]" 1
1305 1 121 ILE HA 1 121 ILE MD . . 4.180 3.770 2.121 3.956 . 0 0 "[ . 1 . 2]" 1
1306 1 121 ILE HA 2 84 ILE MG . . 5.130 5.194 4.198 6.181 1.051 5 4 "[ * + - 1 . *]" 1
1307 1 121 ILE HB 1 122 ASP HB2 . . 4.650 4.245 3.484 4.914 0.264 5 0 "[ . 1 . 2]" 1
1308 1 121 ILE MD 2 84 ILE HG12 . . 5.370 5.257 4.045 6.289 0.919 9 3 "[ . +1- *. 2]" 1
1309 1 121 ILE MD 2 84 ILE MG . . 4.060 2.219 1.948 2.639 . 0 0 "[ . 1 . 2]" 1
1310 1 121 ILE MD 2 85 GLY H . . 4.830 3.849 3.097 4.509 . 0 0 "[ . 1 . 2]" 1
1311 1 121 ILE MD 2 85 GLY QA . . 4.160 2.477 2.044 3.455 . 0 0 "[ . 1 . 2]" 1
1312 1 121 ILE MD 2 86 MET H . . 4.010 3.195 2.608 4.289 0.279 3 0 "[ . 1 . 2]" 1
1313 1 121 ILE MD 2 86 MET ME . . 3.500 2.288 1.969 4.046 0.546 13 1 "[ . 1 + . 2]" 1
1314 1 121 ILE MD 2 86 MET QG . . 4.430 3.443 1.968 4.046 . 0 0 "[ . 1 . 2]" 1
1315 1 121 ILE MG 1 122 ASP H . . 3.820 3.251 2.729 3.777 . 0 0 "[ . 1 . 2]" 1
1316 1 121 ILE MG 1 122 ASP HB2 . . 4.470 4.256 3.161 4.643 0.173 3 0 "[ . 1 . 2]" 1
1317 1 121 ILE MG 1 123 ALA H . . 4.840 4.693 4.381 5.156 0.316 8 0 "[ . 1 . 2]" 1
1318 1 121 ILE MG 2 84 ILE H . . 4.940 5.167 4.541 6.080 1.140 20 5 "[ .*** 1 - +]" 1
1319 1 121 ILE MG 2 84 ILE HA . . 5.460 5.518 5.042 6.312 0.852 6 2 "[ .+ - 1 . 2]" 1
1320 1 121 ILE MG 2 85 GLY QA . . 3.830 2.656 2.079 3.438 . 0 0 "[ . 1 . 2]" 1
1321 1 121 ILE MG 2 86 MET H . . 4.030 3.567 2.837 4.203 0.173 6 0 "[ . 1 . 2]" 1
1322 1 122 ASP H 1 122 ASP HB2 . . 4.120 2.334 2.039 2.647 . 0 0 "[ . 1 . 2]" 1
1323 1 122 ASP H 1 123 ALA H . . 3.930 2.672 2.107 3.120 . 0 0 "[ . 1 . 2]" 1
1324 1 122 ASP H 1 123 ALA MB . . 4.730 4.264 3.755 4.646 . 0 0 "[ . 1 . 2]" 1
1325 1 122 ASP HA 1 124 TYR QE . . 4.120 3.323 2.517 4.564 0.444 14 0 "[ . 1 . 2]" 1
1326 1 122 ASP HB2 1 123 ALA H . . 4.340 3.946 3.266 4.399 0.059 20 0 "[ . 1 . 2]" 1
1327 1 122 ASP HB2 1 123 ALA MB . . 5.480 5.302 4.768 5.783 0.303 20 0 "[ . 1 . 2]" 1
1328 1 123 ALA H 1 123 ALA MB . . 3.640 2.218 2.086 2.335 . 0 0 "[ . 1 . 2]" 1
1329 1 123 ALA H 1 124 TYR H . . 3.970 2.976 2.658 3.257 . 0 0 "[ . 1 . 2]" 1
1330 1 123 ALA H 1 124 TYR HA . . 5.320 5.512 5.253 5.753 0.433 15 0 "[ . 1 . 2]" 1
1331 1 123 ALA H 1 124 TYR QE . . 4.740 4.892 3.637 6.023 1.283 8 6 "[ * .- + * **. 2]" 1
1332 1 123 ALA H 1 125 LYS H . . 4.350 4.274 3.800 4.561 0.211 9 0 "[ . 1 . 2]" 1
1333 1 123 ALA HA 1 125 LYS H . . 4.270 4.068 3.855 4.297 0.027 19 0 "[ . 1 . 2]" 1
1334 1 123 ALA HA 1 126 THR MG . . 4.500 4.155 3.068 5.154 0.654 19 1 "[ . 1 . +2]" 1
1335 1 123 ALA HA 1 127 PHE QE . . 4.660 4.100 3.432 4.822 0.162 4 0 "[ . 1 . 2]" 1
1336 1 123 ALA MB 1 124 TYR H . . 3.950 2.402 2.172 2.779 . 0 0 "[ . 1 . 2]" 1
1337 1 123 ALA MB 1 125 LYS H . . 4.620 4.350 4.181 4.473 . 0 0 "[ . 1 . 2]" 1
1338 1 123 ALA MB 1 126 THR H . . 4.590 4.541 4.273 4.751 0.161 8 0 "[ . 1 . 2]" 1
1339 1 123 ALA MB 1 127 PHE H . . 5.190 4.960 4.575 5.449 0.259 19 0 "[ . 1 . 2]" 1
1340 1 123 ALA MB 1 127 PHE QE . . 2.880 2.318 2.131 2.655 . 0 0 "[ . 1 . 2]" 1
1341 1 124 TYR H 1 125 LYS H . . 4.610 2.876 2.783 2.996 . 0 0 "[ . 1 . 2]" 1
1342 1 124 TYR H 1 126 THR H . . 4.910 4.401 4.287 4.621 . 0 0 "[ . 1 . 2]" 1
1343 1 124 TYR H 1 127 PHE H . . 4.960 5.036 4.711 5.282 0.322 19 0 "[ . 1 . 2]" 1
1344 1 124 TYR H 1 127 PHE QE . . 4.590 4.754 4.177 5.486 0.896 20 2 "[ - . 1 . +]" 1
1345 1 124 TYR HA 1 126 THR H . . 4.030 3.938 3.681 4.632 0.602 8 1 "[ . + 1 . 2]" 1
1346 1 124 TYR HA 1 127 PHE H . . 3.310 3.171 2.875 3.579 0.269 8 0 "[ . 1 . 2]" 1
1347 1 124 TYR HA 1 127 PHE QE . . 4.380 4.208 3.356 4.802 0.422 2 0 "[ . 1 . 2]" 1
1348 1 124 TYR QB 1 125 LYS H . . 4.360 3.685 3.562 3.863 . 0 0 "[ . 1 . 2]" 1
1349 1 124 TYR QB 1 127 PHE QE . . 5.080 4.807 4.003 5.669 0.589 2 1 "[ + . 1 . 2]" 1
1350 1 124 TYR QE 1 125 LYS QB . . 5.100 4.804 4.495 5.260 0.160 1 0 "[ . 1 . 2]" 1
1351 1 124 TYR QE 1 125 LYS HD3 . . 5.400 3.894 2.402 5.166 . 0 0 "[ . 1 . 2]" 1
1352 1 124 TYR QE 1 125 LYS QE . . 4.880 3.714 2.065 5.140 0.260 20 0 "[ . 1 . 2]" 1
1353 1 124 TYR QE 1 125 LYS HG3 . . 4.510 3.928 2.647 5.064 0.554 7 1 "[ . + 1 . 2]" 1
1354 1 125 LYS H 1 125 LYS HD3 . . 5.120 4.459 3.231 5.027 . 0 0 "[ . 1 . 2]" 1
1355 1 125 LYS H 1 125 LYS HG3 . . 3.450 3.070 1.944 3.815 0.365 7 0 "[ . 1 . 2]" 1
1356 1 125 LYS H 1 126 THR H . . 3.590 2.629 2.456 2.838 . 0 0 "[ . 1 . 2]" 1
1357 1 125 LYS H 1 127 PHE H . . 4.020 4.039 3.821 4.279 0.259 19 0 "[ . 1 . 2]" 1
1358 1 125 LYS HA 1 125 LYS HD3 . . 4.360 4.005 2.717 4.661 0.301 3 0 "[ . 1 . 2]" 1
1359 1 125 LYS HA 1 125 LYS QE . . 4.500 3.245 1.909 4.781 0.281 3 0 "[ . 1 . 2]" 1
1360 1 125 LYS HA 1 125 LYS HG3 . . 4.030 3.686 2.562 3.959 . 0 0 "[ . 1 . 2]" 1
1361 1 125 LYS HA 1 126 THR MG . . 5.020 4.661 4.383 5.014 . 0 0 "[ . 1 . 2]" 1
1362 1 125 LYS QB 1 125 LYS HD3 . . 3.800 2.822 2.296 3.564 . 0 0 "[ . 1 . 2]" 1
1363 1 125 LYS QB 1 125 LYS QE . . 3.570 2.425 1.973 3.546 . 0 0 "[ . 1 . 2]" 1
1364 1 125 LYS QB 1 126 THR H . . 4.430 2.940 2.474 3.219 . 0 0 "[ . 1 . 2]" 1
1365 1 125 LYS QB 1 126 THR MG . . 4.510 2.850 2.515 3.163 . 0 0 "[ . 1 . 2]" 1
1366 1 125 LYS QE 1 125 LYS HG3 . . 3.820 2.954 2.193 3.378 . 0 0 "[ . 1 . 2]" 1
1367 1 125 LYS HG3 1 126 THR H . . 5.280 4.875 4.109 5.207 . 0 0 "[ . 1 . 2]" 1
1368 1 126 THR H 1 126 THR MG . . 3.740 2.742 2.016 3.245 . 0 0 "[ . 1 . 2]" 1
1369 1 126 THR H 1 127 PHE H . . 2.800 2.365 1.930 2.808 0.008 2 0 "[ . 1 . 2]" 1
1370 1 126 THR H 1 127 PHE HA . . 4.530 4.783 4.561 5.291 0.761 8 3 "[ - . + 1 * . 2]" 1
1371 1 126 THR HA 1 126 THR MG . . 3.350 2.345 2.136 3.254 . 0 0 "[ . 1 . 2]" 1
1372 1 126 THR HA 1 127 PHE H . . 3.360 3.351 3.106 3.552 0.192 13 0 "[ . 1 . 2]" 1
1373 1 126 THR HA 1 127 PHE HA . . 4.960 4.765 4.686 4.865 . 0 0 "[ . 1 . 2]" 1
1374 1 126 THR MG 1 127 PHE H . . 4.130 4.322 3.727 4.504 0.374 19 0 "[ . 1 . 2]" 1
1375 1 127 PHE H 1 127 PHE HB3 . . 3.470 3.485 3.349 3.616 0.146 8 0 "[ . 1 . 2]" 1
1376 1 127 PHE HA 1 127 PHE QE . . 4.430 4.503 4.283 4.788 0.358 14 0 "[ . 1 . 2]" 1
1377 1 127 PHE HA 1 128 PRO HA . . 4.430 4.430 4.335 4.478 0.048 5 0 "[ . 1 . 2]" 1
1378 1 127 PHE HA 1 128 PRO QD . . 2.920 2.193 2.092 2.292 . 0 0 "[ . 1 . 2]" 1
1379 1 127 PHE HB3 1 128 PRO HA . . 4.810 4.750 4.578 4.965 0.155 8 0 "[ . 1 . 2]" 1
1380 1 127 PHE HB3 1 128 PRO QD . . 3.010 2.314 2.040 2.674 . 0 0 "[ . 1 . 2]" 1
1381 1 127 PHE HB3 1 128 PRO HG2 . . 4.010 3.981 3.616 4.336 0.326 20 0 "[ . 1 . 2]" 1
1382 2 11 THR HA 2 11 THR HB . . 2.710 2.566 2.287 3.046 0.336 16 0 "[ . 1 . 2]" 1
1383 2 11 THR HA 2 11 THR MG . . 3.390 2.618 2.200 3.293 . 0 0 "[ . 1 . 2]" 1
1384 2 12 LYS HA 2 12 LYS HB3 . . 2.630 2.513 2.407 2.715 0.085 18 0 "[ . 1 . 2]" 1
1385 2 12 LYS HA 2 12 LYS HG3 . . 3.050 2.935 2.265 3.444 0.394 9 0 "[ . 1 . 2]" 1
1386 2 12 LYS HB3 2 13 LYS H . . 4.630 3.339 2.335 4.448 . 0 0 "[ . 1 . 2]" 1
1387 2 13 LYS H 2 13 LYS HG3 . . 4.770 4.147 2.738 4.931 0.161 17 0 "[ . 1 . 2]" 1
1388 2 13 LYS HA 2 13 LYS HB3 . . 3.000 2.786 2.443 3.069 0.069 15 0 "[ . 1 . 2]" 1
1389 2 13 LYS HA 2 13 LYS HG3 . . 3.070 2.754 2.325 3.333 0.263 16 0 "[ . 1 . 2]" 1
1390 2 13 LYS HB3 2 14 SER HA . . 4.540 4.558 4.208 5.069 0.529 10 1 "[ . + . 2]" 1
1391 2 13 LYS HD3 2 13 LYS HE2 . . 2.430 2.440 2.291 2.564 0.134 17 0 "[ . 1 . 2]" 1
1392 2 14 SER HA 2 14 SER HB2 . . 2.640 2.559 2.431 2.807 0.167 2 0 "[ . 1 . 2]" 1
1393 2 14 SER HA 2 15 ALA MB . . 4.310 4.108 3.842 4.392 0.082 20 0 "[ . 1 . 2]" 1
1394 2 15 ALA HA 2 18 ALA H . . 4.010 3.629 3.188 4.470 0.460 6 0 "[ . 1 . 2]" 1
1395 2 15 ALA HA 2 18 ALA MB . . 3.200 3.150 2.267 4.352 1.152 6 4 "[ - .+ 1 * . *2]" 1
1396 2 16 ALA MB 2 17 GLU H . . 4.430 2.617 2.024 3.023 . 0 0 "[ . 1 . 2]" 1
1397 2 16 ALA MB 2 18 ALA H . . 4.700 4.409 3.910 4.727 0.027 17 0 "[ . 1 . 2]" 1
1398 2 17 GLU H 2 17 GLU HB2 . . 3.880 2.431 2.168 2.792 . 0 0 "[ . 1 . 2]" 1
1399 2 17 GLU H 2 17 GLU HG2 . . 4.160 3.022 2.052 4.150 . 0 0 "[ . 1 . 2]" 1
1400 2 17 GLU HA 2 17 GLU HG2 . . 3.030 2.853 2.304 3.690 0.660 14 2 "[ . 1 +. -]" 1
1401 2 17 GLU HA 2 18 ALA MB . . 5.200 4.991 4.898 5.084 . 0 0 "[ . 1 . 2]" 1
1402 2 17 GLU HB2 2 18 ALA H . . 3.950 3.139 2.452 3.519 . 0 0 "[ . 1 . 2]" 1
1403 2 17 GLU HB2 2 18 ALA HA . . 4.550 4.532 3.969 4.978 0.428 19 0 "[ . 1 . 2]" 1
1404 2 18 ALA H 2 18 ALA MB . . 3.440 2.245 2.169 2.299 . 0 0 "[ . 1 . 2]" 1
1405 2 18 ALA MB 2 19 SER H . . 4.160 2.788 2.202 3.318 . 0 0 "[ . 1 . 2]" 1
1406 2 18 ALA MB 2 19 SER HB2 . . 4.550 4.231 3.451 5.027 0.477 4 0 "[ . 1 . 2]" 1
1407 2 19 SER H 2 19 SER HB2 . . 3.830 3.198 2.313 4.143 0.313 4 0 "[ . 1 . 2]" 1
1408 2 19 SER HA 2 19 SER HB2 . . 2.680 2.545 2.427 2.748 0.068 5 0 "[ . 1 . 2]" 1
1409 2 19 SER HA 2 20 LYS H . . 3.550 2.509 2.141 3.631 0.081 18 0 "[ . 1 . 2]" 1
1410 2 20 LYS H 2 20 LYS HB3 . . 4.010 3.137 2.454 4.024 0.014 18 0 "[ . 1 . 2]" 1
1411 2 20 LYS H 2 20 LYS HG3 . . 4.940 3.618 2.434 4.699 . 0 0 "[ . 1 . 2]" 1
1412 2 20 LYS HB3 2 21 LYS H . . 4.580 3.922 2.029 4.618 0.038 15 0 "[ . 1 . 2]" 1
1413 2 20 LYS HG3 2 21 LYS H . . 5.400 4.647 3.591 5.498 0.098 9 0 "[ . 1 . 2]" 1
1414 2 21 LYS H 2 21 LYS HB3 . . 3.720 3.611 3.331 3.844 0.124 14 0 "[ . 1 . 2]" 1
1415 2 21 LYS H 2 22 PRO QD . . 4.920 4.436 4.256 4.548 . 0 0 "[ . 1 . 2]" 1
1416 2 21 LYS HA 2 21 LYS HG3 . . 3.490 2.505 2.206 3.273 . 0 0 "[ . 1 . 2]" 1
1417 2 21 LYS HA 2 22 PRO QD . . 3.220 2.220 2.070 2.387 . 0 0 "[ . 1 . 2]" 1
1418 2 21 LYS HB3 2 22 PRO QD . . 3.410 2.347 2.103 2.938 . 0 0 "[ . 1 . 2]" 1
1419 2 21 LYS HB3 2 22 PRO HG2 . . 4.040 3.955 3.618 4.396 0.356 4 0 "[ . 1 . 2]" 1
1420 2 21 LYS HG3 2 22 PRO QD . . 3.900 3.115 2.063 4.556 0.656 11 2 "[ . 1+ -. 2]" 1
1421 2 22 PRO HA 2 23 ARG H . . 3.430 2.187 2.088 2.324 . 0 0 "[ . 1 . 2]" 1
1422 2 22 PRO HA 2 23 ARG QD . . 4.650 4.066 3.040 5.768 1.118 16 3 "[ .*- 1 .+ 2]" 1
1423 2 22 PRO HA 2 25 LYS H . . 4.560 4.707 3.931 6.213 1.653 12 4 "[ . * + . *- 2]" 1
1424 2 22 PRO HA 2 26 ARG H . . 5.500 5.815 3.584 6.797 1.297 15 11 "[** *-* *1 * + ***]" 1
1425 2 22 PRO HB2 2 23 ARG H . . 3.870 3.607 2.732 3.895 0.025 17 0 "[ . 1 . 2]" 1
1426 2 23 ARG H 2 23 ARG HB3 . . 3.670 2.972 2.352 3.704 0.034 16 0 "[ . 1 . 2]" 1
1427 2 23 ARG H 2 23 ARG QD . . 4.340 2.619 1.855 3.945 . 0 0 "[ . 1 . 2]" 1
1428 2 23 ARG H 2 23 ARG QG . . 3.990 2.342 1.748 3.476 . 0 0 "[ . 1 . 2]" 1
1429 2 23 ARG H 2 24 GLN H . . 3.790 2.845 2.423 3.290 . 0 0 "[ . 1 . 2]" 1
1430 2 23 ARG H 2 25 LYS H . . 4.710 4.212 3.216 5.536 0.826 10 1 "[ . + . 2]" 1
1431 2 23 ARG H 2 26 ARG H . . 4.870 5.451 3.271 6.420 1.550 1 14 "[+** *****1- * * ***]" 1
1432 2 23 ARG H 2 26 ARG HA . . 5.500 5.983 5.280 6.557 1.057 1 10 "[+* *. **1 -* ***]" 1
1433 2 23 ARG HA 2 26 ARG H . . 5.400 5.023 3.659 6.407 1.007 1 4 "[+ .* *- . 2]" 1
1434 2 23 ARG HB3 2 23 ARG QD . . 3.300 2.691 2.281 3.398 0.098 13 0 "[ . 1 . 2]" 1
1435 2 23 ARG QD 2 24 GLN H . . 3.880 3.639 2.044 4.727 0.847 12 2 "[ - . 1 + . 2]" 1
1436 2 23 ARG QG 2 24 GLN H . . 3.310 2.753 1.887 4.125 0.815 3 3 "[ + . 1 *-. 2]" 1
1437 2 24 GLN H 2 25 LYS H . . 3.590 2.581 1.652 3.257 . 0 0 "[ . 1 . 2]" 1
1438 2 24 GLN H 2 26 ARG H . . 4.210 4.306 2.988 5.098 0.888 7 4 "[* . + 1 - *2]" 1
1439 2 25 LYS H 2 25 LYS QD . . 3.770 3.191 2.173 4.039 0.269 16 0 "[ . 1 . 2]" 1
1440 2 25 LYS H 2 26 ARG H . . 3.660 2.811 2.124 3.475 . 0 0 "[ . 1 . 2]" 1
1441 2 25 LYS H 2 26 ARG HA . . 4.610 4.478 4.076 5.297 0.687 17 2 "[ . 1 . +- 2]" 1
1442 2 25 LYS HA 2 25 LYS QD . . 4.000 2.925 2.197 3.967 . 0 0 "[ . 1 . 2]" 1
1443 2 25 LYS QB 2 26 ARG H . . 4.750 3.875 3.250 4.042 . 0 0 "[ . 1 . 2]" 1
1444 2 26 ARG H 2 26 ARG HB3 . . 3.470 3.091 2.374 3.650 0.180 6 0 "[ . 1 . 2]" 1
1445 2 26 ARG H 2 27 THR H . . 4.710 4.321 3.551 4.686 . 0 0 "[ . 1 . 2]" 1
1446 2 26 ARG H 2 27 THR MG . . 5.090 4.643 3.824 5.298 0.208 17 0 "[ . 1 . 2]" 1
1447 2 26 ARG H 2 38 PHE QE . . 4.930 4.597 3.543 5.665 0.735 12 2 "[ - . 1 + . 2]" 1
1448 2 26 ARG HA 2 27 THR H . . 3.540 2.280 2.146 2.507 . 0 0 "[ . 1 . 2]" 1
1449 2 26 ARG HA 2 27 THR MG . . 4.200 4.119 3.605 4.522 0.322 11 0 "[ . 1 . 2]" 1
1450 2 26 ARG HA 2 38 PHE QE . . 5.430 5.211 3.970 6.465 1.035 12 2 "[ . 1 + .- 2]" 1
1451 2 26 ARG HB3 2 37 ALA HA . . 5.500 4.788 3.151 5.887 0.387 5 0 "[ . 1 . 2]" 1
1452 2 26 ARG HB3 2 37 ALA MB . . 4.320 3.372 2.196 4.929 0.609 12 1 "[ . 1 + . 2]" 1
1453 2 26 ARG HB3 2 38 PHE QE . . 4.900 3.468 2.355 5.099 0.199 16 0 "[ . 1 . 2]" 1
1454 2 27 THR H 2 27 THR HB . . 3.850 3.565 3.380 3.721 . 0 0 "[ . 1 . 2]" 1
1455 2 27 THR H 2 27 THR MG . . 4.070 2.800 2.288 3.419 . 0 0 "[ . 1 . 2]" 1
1456 2 27 THR H 2 38 PHE QE . . 5.500 5.408 3.415 6.021 0.521 11 1 "[ . 1+ . 2]" 1
1457 2 27 THR HA 2 27 THR MG . . 3.420 2.298 2.179 2.419 . 0 0 "[ . 1 . 2]" 1
1458 2 27 THR HA 2 38 PHE QE . . 4.610 4.253 2.307 5.136 0.526 1 1 "[+ . 1 . 2]" 1
1459 2 27 THR HA 2 60 THR MG . . 4.140 3.485 2.736 4.258 0.118 3 0 "[ . 1 . 2]" 1
1460 2 27 THR HB 2 28 ALA H . . 4.490 3.069 2.601 3.993 . 0 0 "[ . 1 . 2]" 1
1461 2 27 THR HB 2 28 ALA MB . . 5.030 4.775 4.403 5.258 0.228 4 0 "[ . 1 . 2]" 1
1462 2 27 THR MG 2 38 PHE QE . . 5.500 5.145 3.161 5.890 0.390 1 0 "[ . 1 . 2]" 1
1463 2 27 THR MG 2 60 THR MG . . 3.580 2.919 2.173 3.796 0.216 3 0 "[ . 1 . 2]" 1
1464 2 28 ALA H 2 28 ALA MB . . 3.670 2.362 2.174 2.708 . 0 0 "[ . 1 . 2]" 1
1465 2 28 ALA H 2 29 THR HA . . 5.480 5.016 4.598 5.398 . 0 0 "[ . 1 . 2]" 1
1466 2 28 ALA H 2 38 PHE QE . . 4.680 4.373 3.344 5.405 0.725 14 1 "[ . 1 +. 2]" 1
1467 2 28 ALA H 2 60 THR MG . . 4.700 2.699 1.964 3.595 . 0 0 "[ . 1 . 2]" 1
1468 2 28 ALA HA 2 29 THR H . . 3.440 2.237 2.089 2.457 . 0 0 "[ . 1 . 2]" 1
1469 2 28 ALA HA 2 32 TYR QB . . 4.500 3.421 2.382 4.353 . 0 0 "[ . 1 . 2]" 1
1470 2 28 ALA HA 2 34 VAL HA . . 4.880 4.424 3.816 4.921 0.041 13 0 "[ . 1 . 2]" 1
1471 2 28 ALA HA 2 37 ALA MB . . 4.530 3.555 2.305 5.182 0.652 19 2 "[ . 1 . - +2]" 1
1472 2 28 ALA MB 2 29 THR H . . 3.680 3.134 2.782 3.450 . 0 0 "[ . 1 . 2]" 1
1473 2 28 ALA MB 2 32 TYR QB . . 4.360 3.724 2.314 5.191 0.831 12 3 "[ - . * 1 + . 2]" 1
1474 2 28 ALA MB 2 34 VAL H . . 5.070 3.845 3.011 4.668 . 0 0 "[ . 1 . 2]" 1
1475 2 28 ALA MB 2 34 VAL HA . . 3.950 2.436 1.996 3.364 . 0 0 "[ . 1 . 2]" 1
1476 2 28 ALA MB 2 34 VAL QG . . 3.500 2.010 1.870 2.312 . 0 0 "[ . 1 . 2]" 1
1477 2 28 ALA MB 2 35 THR H . . 5.100 5.298 4.662 6.108 1.008 12 4 "[ . * 1 + . *-]" 1
1478 2 28 ALA MB 2 37 ALA MB . . 4.220 2.683 2.059 5.053 0.833 19 1 "[ . 1 . +2]" 1
1479 2 28 ALA MB 2 38 PHE QE . . 4.130 3.308 2.261 4.596 0.466 4 0 "[ . 1 . 2]" 1
1480 2 28 ALA MB 2 56 ILE HA . . 5.180 5.007 4.254 5.584 0.404 17 0 "[ . 1 . 2]" 1
1481 2 28 ALA MB 2 59 GLY HA2 . . 3.900 3.274 2.257 4.114 0.214 18 0 "[ . 1 . 2]" 1
1482 2 28 ALA MB 2 60 THR H . . 4.230 3.623 2.504 4.193 . 0 0 "[ . 1 . 2]" 1
1483 2 29 THR H 2 29 THR MG . . 4.150 3.684 2.619 4.025 . 0 0 "[ . 1 . 2]" 1
1484 2 29 THR H 2 30 LYS H . . 4.710 4.509 4.361 4.658 . 0 0 "[ . 1 . 2]" 1
1485 2 29 THR H 2 32 TYR H . . 3.920 3.769 2.964 4.437 0.517 13 1 "[ . 1 + . 2]" 1
1486 2 29 THR H 2 32 TYR QB . . 3.890 2.744 2.142 3.412 . 0 0 "[ . 1 . 2]" 1
1487 2 29 THR H 2 33 ASN H . . 5.470 6.001 4.796 6.966 1.496 17 11 "[ **** - 1 **** +* 2]" 1
1488 2 29 THR H 2 34 VAL H . . 5.500 6.289 4.914 7.299 1.799 18 13 "[* ***** 1*-*** *+ 2]" 1
1489 2 29 THR HA 2 29 THR MG . . 2.740 2.382 2.216 2.594 . 0 0 "[ . 1 . 2]" 1
1490 2 29 THR HA 2 60 THR MG . . 4.050 3.886 3.126 4.391 0.341 7 0 "[ . 1 . 2]" 1
1491 2 29 THR HB 2 30 LYS QG . . 4.750 4.311 3.220 5.125 0.375 8 0 "[ . 1 . 2]" 1
1492 2 29 THR HB 2 31 GLN HB2 . . 5.130 5.390 4.749 6.093 0.963 1 6 "[+** . - 1 * . * 2]" 1
1493 2 29 THR HB 2 31 GLN HG2 . . 3.990 2.743 2.066 3.845 . 0 0 "[ . 1 . 2]" 1
1494 2 29 THR MG 2 30 LYS H . . 4.020 2.449 1.831 3.775 . 0 0 "[ . 1 . 2]" 1
1495 2 29 THR MG 2 30 LYS QG . . 4.130 2.970 2.283 4.856 0.726 3 2 "[ + . 1 . - 2]" 1
1496 2 29 THR MG 2 31 GLN H . . 4.520 2.942 1.774 4.530 0.010 1 0 "[ . 1 . 2]" 1
1497 2 29 THR MG 2 32 TYR H . . 4.420 4.565 3.692 5.632 1.212 3 5 "[- + . * * * 2]" 1
1498 2 29 THR MG 2 60 THR H . . 4.570 4.449 3.327 5.291 0.721 7 3 "[ - +* 1 . 2]" 1
1499 2 30 LYS H 2 30 LYS HB3 . . 3.600 2.426 2.311 2.571 . 0 0 "[ . 1 . 2]" 1
1500 2 30 LYS H 2 30 LYS QG . . 3.790 2.342 2.056 2.646 . 0 0 "[ . 1 . 2]" 1
1501 2 30 LYS H 2 31 GLN H . . 4.140 2.955 2.777 3.205 . 0 0 "[ . 1 . 2]" 1
1502 2 30 LYS H 2 31 GLN HG2 . . 4.780 4.388 3.733 4.858 0.078 3 0 "[ . 1 . 2]" 1
1503 2 30 LYS H 2 32 TYR H . . 4.230 4.490 4.212 4.727 0.497 18 0 "[ . 1 . 2]" 1
1504 2 30 LYS H 2 58 GLN HA . . 4.590 4.004 3.324 4.740 0.150 18 0 "[ . 1 . 2]" 1
1505 2 30 LYS H 2 60 THR H . . 4.860 4.633 3.820 5.535 0.675 10 2 "[ . + . - 2]" 1
1506 2 30 LYS H 2 61 ASP H . . 4.850 4.295 3.560 4.866 0.016 17 0 "[ . 1 . 2]" 1
1507 2 30 LYS H 2 61 ASP HB2 . . 4.390 3.845 3.055 4.764 0.374 13 0 "[ . 1 . 2]" 1
1508 2 30 LYS HA 2 30 LYS HE2 . . 4.590 4.583 4.306 5.400 0.810 13 1 "[ . 1 + . 2]" 1
1509 2 30 LYS HA 2 30 LYS QG . . 3.750 3.419 3.373 3.496 . 0 0 "[ . 1 . 2]" 1
1510 2 30 LYS HA 2 32 TYR H . . 4.560 3.694 3.367 4.105 . 0 0 "[ . 1 . 2]" 1
1511 2 30 LYS HA 2 58 GLN H . . 4.950 4.911 4.566 5.538 0.588 3 1 "[ + . 1 . 2]" 1
1512 2 30 LYS HA 2 58 GLN HA . . 3.600 2.387 1.977 3.146 . 0 0 "[ . 1 . 2]" 1
1513 2 30 LYS HA 2 58 GLN QG . . 3.850 3.976 2.468 4.839 0.989 4 4 "[ +** 1 - 2]" 1
1514 2 30 LYS HA 2 59 GLY H . . 5.010 4.703 4.130 5.352 0.342 10 0 "[ . 1 . 2]" 1
1515 2 30 LYS HB3 2 30 LYS HE2 . . 3.540 2.939 2.031 4.038 0.498 13 0 "[ . 1 . 2]" 1
1516 2 30 LYS HB3 2 61 ASP H . . 4.570 4.580 3.667 5.399 0.829 10 4 "[ . * -+ . * 2]" 1
1517 2 30 LYS QG 2 31 GLN H . . 4.260 2.692 2.180 3.310 . 0 0 "[ . 1 . 2]" 1
1518 2 30 LYS QG 2 31 GLN HG2 . . 3.970 3.872 3.356 4.945 0.975 3 3 "[ + . - 1 . * 2]" 1
1519 2 30 LYS QG 2 58 GLN HA . . 5.250 4.430 3.988 5.179 . 0 0 "[ . 1 . 2]" 1
1520 2 30 LYS QG 2 58 GLN QG . . 4.940 4.503 3.909 5.131 0.191 2 0 "[ . 1 . 2]" 1
1521 2 31 GLN H 2 31 GLN HB2 . . 3.740 3.624 3.555 3.810 0.070 12 0 "[ . 1 . 2]" 1
1522 2 31 GLN H 2 31 GLN HG2 . . 3.740 2.180 1.935 2.557 . 0 0 "[ . 1 . 2]" 1
1523 2 31 GLN H 2 32 TYR H . . 3.640 2.651 2.150 2.935 . 0 0 "[ . 1 . 2]" 1
1524 2 31 GLN H 2 32 TYR QB . . 5.290 4.124 3.372 4.554 . 0 0 "[ . 1 . 2]" 1
1525 2 31 GLN HA 2 32 TYR H . . 3.540 3.356 3.228 3.471 . 0 0 "[ . 1 . 2]" 1
1526 2 31 GLN HB2 2 32 TYR H . . 4.200 4.435 4.253 4.545 0.345 7 0 "[ . 1 . 2]" 1
1527 2 31 GLN HG2 2 32 TYR H . . 3.840 3.736 2.812 4.377 0.537 15 1 "[ . 1 + 2]" 1
1528 2 31 GLN HG2 2 32 TYR QB . . 5.190 3.887 3.151 4.631 . 0 0 "[ . 1 . 2]" 1
1529 2 32 TYR H 2 32 TYR QB . . 3.330 2.564 2.331 2.734 . 0 0 "[ . 1 . 2]" 1
1530 2 32 TYR H 2 33 ASN H . . 4.600 4.312 3.413 4.508 . 0 0 "[ . 1 . 2]" 1
1531 2 32 TYR QE 2 37 ALA H . . 4.280 3.142 2.402 4.807 0.527 15 1 "[ . 1 + 2]" 1
1532 2 32 TYR QE 2 37 ALA HA . . 3.750 3.055 2.180 4.364 0.614 19 2 "[ . 1 . -+2]" 1
1533 2 32 TYR QE 2 37 ALA MB . . 3.490 2.717 2.165 4.009 0.519 18 1 "[ . 1 . + 2]" 1
1534 2 33 ASN H 2 34 VAL H . . 4.770 4.425 4.252 4.581 . 0 0 "[ . 1 . 2]" 1
1535 2 33 ASN H 2 36 GLN HB2 . . 3.620 3.630 3.057 4.585 0.965 8 2 "[ . + 1 - . 2]" 1
1536 2 33 ASN H 2 36 GLN HG2 . . 4.740 4.695 3.312 5.417 0.677 2 3 "[ + . *1 - . 2]" 1
1537 2 34 VAL HA 2 36 GLN H . . 4.580 4.092 3.766 4.384 . 0 0 "[ . 1 . 2]" 1
1538 2 34 VAL HA 2 37 ALA H . . 4.320 3.404 2.764 4.201 . 0 0 "[ . 1 . 2]" 1
1539 2 34 VAL HA 2 37 ALA MB . . 4.270 2.841 2.083 4.849 0.579 19 1 "[ . 1 . +2]" 1
1540 2 34 VAL HA 2 38 PHE H . . 4.290 4.241 3.719 5.152 0.862 14 2 "[ . 1 +- 2]" 1
1541 2 34 VAL HA 2 56 ILE HA . . 5.100 5.128 4.642 5.655 0.555 20 1 "[ . 1 . +]" 1
1542 2 34 VAL HA 2 56 ILE MG . . 5.500 4.875 4.292 5.233 . 0 0 "[ . 1 . 2]" 1
1543 2 34 VAL HB 2 35 THR H . . 3.880 2.772 2.508 3.233 . 0 0 "[ . 1 . 2]" 1
1544 2 34 VAL HB 2 35 THR MG . . 4.070 3.435 3.155 3.909 . 0 0 "[ . 1 . 2]" 1
1545 2 34 VAL HB 2 56 ILE H . . 5.110 4.939 4.484 5.572 0.462 20 0 "[ . 1 . 2]" 1
1546 2 34 VAL HB 2 56 ILE HA . . 4.470 2.782 2.170 3.670 . 0 0 "[ . 1 . 2]" 1
1547 2 34 VAL HB 2 56 ILE MD . . 5.360 4.822 4.333 5.285 . 0 0 "[ . 1 . 2]" 1
1548 2 34 VAL HB 2 56 ILE MG . . 4.690 2.308 2.095 2.726 . 0 0 "[ . 1 . 2]" 1
1549 2 34 VAL QG 2 37 ALA MB . . 4.610 3.360 2.440 4.688 0.078 19 0 "[ . 1 . 2]" 1
1550 2 34 VAL QG 2 55 LEU HB3 . . 4.650 4.027 3.476 4.556 . 0 0 "[ . 1 . 2]" 1
1551 2 34 VAL QG 2 55 LEU MD1 . . 4.250 3.368 2.820 4.007 . 0 0 "[ . 1 . 2]" 1
1552 2 34 VAL QG 2 55 LEU HG . . 3.980 2.583 2.124 3.353 . 0 0 "[ . 1 . 2]" 1
1553 2 34 VAL QG 2 56 ILE HA . . 3.540 2.060 1.973 2.282 . 0 0 "[ . 1 . 2]" 1
1554 2 34 VAL QG 2 56 ILE HB . . 4.000 3.406 2.663 3.881 . 0 0 "[ . 1 . 2]" 1
1555 2 34 VAL QG 2 57 ARG H . . 4.690 4.451 4.106 4.928 0.238 2 0 "[ . 1 . 2]" 1
1556 2 34 VAL QG 2 59 GLY H . . 4.350 3.066 2.460 3.629 . 0 0 "[ . 1 . 2]" 1
1557 2 34 VAL QG 2 59 GLY HA2 . . 3.600 2.504 2.023 3.312 . 0 0 "[ . 1 . 2]" 1
1558 2 35 THR H 2 35 THR HB . . 3.650 3.521 3.436 3.615 . 0 0 "[ . 1 . 2]" 1
1559 2 35 THR H 2 35 THR MG . . 3.590 2.194 1.935 2.430 . 0 0 "[ . 1 . 2]" 1
1560 2 35 THR H 2 36 GLN H . . 3.660 2.811 2.652 3.008 . 0 0 "[ . 1 . 2]" 1
1561 2 35 THR H 2 37 ALA H . . 4.360 4.322 3.887 5.217 0.857 19 2 "[ . 1 . - +2]" 1
1562 2 35 THR H 2 38 PHE H . . 5.050 4.962 4.753 5.413 0.363 14 0 "[ . 1 . 2]" 1
1563 2 35 THR H 2 39 GLY H . . 4.920 5.439 4.928 6.133 1.213 15 11 "[- ***** *1 **+ * 2]" 1
1564 2 35 THR H 2 56 ILE MG . . 4.080 3.642 2.828 4.437 0.357 12 0 "[ . 1 . 2]" 1
1565 2 35 THR HA 2 35 THR MG . . 3.020 2.320 2.209 2.458 . 0 0 "[ . 1 . 2]" 1
1566 2 35 THR HA 2 38 PHE H . . 3.990 3.613 3.244 4.009 0.019 19 0 "[ . 1 . 2]" 1
1567 2 35 THR HA 2 39 GLY H . . 3.400 2.908 2.381 3.391 . 0 0 "[ . 1 . 2]" 1
1568 2 35 THR HA 2 39 GLY QA . . 4.910 4.000 3.276 4.563 . 0 0 "[ . 1 . 2]" 1
1569 2 35 THR HB 2 36 GLN H . . 4.240 3.852 3.441 4.205 . 0 0 "[ . 1 . 2]" 1
1570 2 35 THR HB 2 36 GLN HA . . 4.770 4.522 4.161 4.838 0.068 7 0 "[ . 1 . 2]" 1
1571 2 35 THR HB 2 56 ILE MG . . 5.340 5.280 4.543 6.274 0.934 12 4 "[ * . *1 + . -2]" 1
1572 2 35 THR MG 2 36 GLN H . . 4.200 4.138 3.857 4.287 0.087 17 0 "[ . 1 . 2]" 1
1573 2 35 THR MG 2 38 PHE H . . 5.270 5.305 5.014 5.574 0.304 19 0 "[ . 1 . 2]" 1
1574 2 35 THR MG 2 39 GLY H . . 4.220 4.400 3.901 5.080 0.860 7 4 "[ - * + 1 * . 2]" 1
1575 2 35 THR MG 2 39 GLY QA . . 5.430 4.801 4.280 5.771 0.341 7 0 "[ . 1 . 2]" 1
1576 2 35 THR MG 2 41 ARG H . . 4.520 3.298 2.063 4.550 0.030 3 0 "[ . 1 . 2]" 1
1577 2 35 THR MG 2 41 ARG HA . . 5.020 4.991 4.006 5.863 0.843 3 3 "[ + . * 1 - . 2]" 1
1578 2 36 GLN H 2 36 GLN HB2 . . 3.320 2.418 2.273 2.503 . 0 0 "[ . 1 . 2]" 1
1579 2 36 GLN H 2 36 GLN QE . . 4.290 4.357 3.166 5.316 1.026 6 6 "[ * .+* *1 - *. 2]" 1
1580 2 36 GLN H 2 36 GLN HG2 . . 3.490 2.663 2.255 3.594 0.104 2 0 "[ . 1 . 2]" 1
1581 2 36 GLN H 2 37 ALA H . . 3.470 2.475 2.327 2.803 . 0 0 "[ . 1 . 2]" 1
1582 2 36 GLN H 2 37 ALA MB . . 4.370 4.192 4.052 4.744 0.374 19 0 "[ . 1 . 2]" 1
1583 2 36 GLN H 2 38 PHE H . . 4.200 4.104 3.841 4.398 0.198 16 0 "[ . 1 . 2]" 1
1584 2 36 GLN HA 2 36 GLN HG2 . . 2.990 2.924 2.613 3.193 0.203 16 0 "[ . 1 . 2]" 1
1585 2 36 GLN HB2 2 37 ALA H . . 3.390 2.800 2.394 3.064 . 0 0 "[ . 1 . 2]" 1
1586 2 36 GLN HB2 2 37 ALA HA . . 4.870 4.485 4.136 4.800 . 0 0 "[ . 1 . 2]" 1
1587 2 36 GLN HE21 2 36 GLN HG2 . . 3.540 2.421 2.218 2.909 . 0 0 "[ . 1 . 2]" 1
1588 2 36 GLN HE22 2 36 GLN HG2 . . 3.540 3.600 3.456 3.830 0.290 14 0 "[ . 1 . 2]" 1
1589 2 36 GLN HG2 2 37 ALA H . . 4.790 4.579 4.242 5.100 0.310 2 0 "[ . 1 . 2]" 1
1590 2 37 ALA H 2 37 ALA MB . . 3.370 2.251 2.108 2.456 . 0 0 "[ . 1 . 2]" 1
1591 2 37 ALA H 2 38 PHE HA . . 5.110 5.315 5.079 5.497 0.387 7 0 "[ . 1 . 2]" 1
1592 2 37 ALA H 2 39 GLY H . . 4.270 5.069 4.455 5.662 1.392 6 17 "[*****+*-*1* *** ****]" 1
1593 2 37 ALA MB 2 38 PHE H . . 3.460 2.672 2.372 3.175 . 0 0 "[ . 1 . 2]" 1
1594 2 37 ALA MB 2 39 GLY H . . 4.910 5.021 4.330 5.658 0.748 19 2 "[ .- 1 . +2]" 1
1595 2 38 PHE H 2 38 PHE HB3 . . 4.100 3.752 3.625 3.946 . 0 0 "[ . 1 . 2]" 1
1596 2 38 PHE H 2 39 GLY H . . 3.270 2.837 2.344 3.333 0.063 18 0 "[ . 1 . 2]" 1
1597 2 39 GLY H 2 40 ARG H . . 4.550 4.273 4.135 4.394 . 0 0 "[ . 1 . 2]" 1
1598 2 40 ARG HB3 2 41 ARG H . . 3.930 3.150 2.184 4.418 0.488 18 0 "[ . 1 . 2]" 1
1599 2 41 ARG H 2 41 ARG QB . . 3.770 2.576 2.262 3.033 . 0 0 "[ . 1 . 2]" 1
1600 2 41 ARG H 2 41 ARG HD2 . . 4.440 4.128 2.877 4.976 0.536 6 1 "[ .+ 1 . 2]" 1
1601 2 41 ARG H 2 41 ARG HE . . 4.290 3.932 2.004 5.209 0.919 12 5 "[ *. 1 +* .-* 2]" 1
1602 2 41 ARG H 2 42 GLY H . . 4.630 4.457 3.047 4.741 0.111 4 0 "[ . 1 . 2]" 1
1603 2 41 ARG HA 2 41 ARG HD2 . . 4.830 4.393 2.409 5.314 0.484 9 0 "[ . 1 . 2]" 1
1604 2 41 ARG HA 2 41 ARG HE . . 4.130 3.858 1.951 5.528 1.398 13 4 "[ * . - 1 + .* 2]" 1
1605 2 41 ARG QB 2 42 GLY H . . 3.840 2.856 2.112 3.606 . 0 0 "[ . 1 . 2]" 1
1606 2 41 ARG QB 2 49 ASN HA . . 5.500 4.021 2.257 6.236 0.736 13 1 "[ . 1 + . 2]" 1
1607 2 41 ARG HD2 2 56 ILE MD . . 4.580 4.217 3.139 4.585 0.005 19 0 "[ . 1 . 2]" 1
1608 2 41 ARG HD2 2 56 ILE MG . . 5.500 4.334 3.303 5.533 0.033 5 0 "[ . 1 . 2]" 1
1609 2 41 ARG HE 2 42 GLY H . . 4.360 4.764 3.586 6.106 1.746 13 8 "[ * . * 1 *+ .**-*2]" 1
1610 2 42 GLY H 2 44 GLU H . . 5.500 5.081 3.962 5.868 0.368 15 0 "[ . 1 . 2]" 1
1611 2 42 GLY H 2 49 ASN H . . 5.500 5.060 3.933 6.348 0.848 19 3 "[ .- 1 * . +2]" 1
1612 2 42 GLY H 2 49 ASN HA . . 4.040 3.428 2.238 4.546 0.506 18 1 "[ . 1 . + 2]" 1
1613 2 42 GLY HA3 2 44 GLU H . . 4.350 3.611 3.046 4.518 0.168 4 0 "[ . 1 . 2]" 1
1614 2 43 PRO QB 2 44 GLU H . . 3.640 3.423 2.754 4.125 0.485 14 0 "[ . 1 . 2]" 1
1615 2 43 PRO HD3 2 44 GLU H . . 4.080 3.965 3.746 4.587 0.507 14 1 "[ . 1 +. 2]" 1
1616 2 43 PRO QG 2 44 GLU H . . 3.290 2.589 1.946 4.067 0.777 14 1 "[ . 1 +. 2]" 1
1617 2 44 GLU H 2 44 GLU QB . . 3.220 2.165 1.979 2.606 . 0 0 "[ . 1 . 2]" 1
1618 2 44 GLU H 2 44 GLU HG2 . . 3.540 3.674 2.457 4.535 0.995 12 6 "[- * . *1 + *. *]" 1
1619 2 44 GLU H 2 45 GLN H . . 4.700 4.559 4.362 4.690 . 0 0 "[ . 1 . 2]" 1
1620 2 44 GLU H 2 46 THR H . . 5.190 5.364 4.959 5.815 0.625 1 1 "[+ . 1 . 2]" 1
1621 2 44 GLU H 2 47 GLN H . . 4.720 4.560 3.679 5.164 0.444 4 0 "[ . 1 . 2]" 1
1622 2 44 GLU H 2 47 GLN HB2 . . 4.300 3.724 2.225 4.896 0.596 4 2 "[ +. - 1 . 2]" 1
1623 2 44 GLU H 2 47 GLN QE . . 4.400 4.918 3.605 5.963 1.563 2 11 "[*+ . * ** **.** -*]" 1
1624 2 44 GLU HA 2 44 GLU HG2 . . 2.960 2.513 2.123 2.918 . 0 0 "[ . 1 . 2]" 1
1625 2 44 GLU HA 2 45 GLN H . . 3.110 2.217 2.025 2.405 . 0 0 "[ . 1 . 2]" 1
1626 2 44 GLU QB 2 46 THR H . . 4.280 2.857 2.345 3.666 . 0 0 "[ . 1 . 2]" 1
1627 2 44 GLU QB 2 47 GLN H . . 3.800 3.073 2.342 3.781 . 0 0 "[ . 1 . 2]" 1
1628 2 44 GLU QB 2 47 GLN HA . . 5.460 4.834 4.117 5.343 . 0 0 "[ . 1 . 2]" 1
1629 2 44 GLU QB 2 47 GLN QE . . 4.320 3.023 1.905 3.873 . 0 0 "[ . 1 . 2]" 1
1630 2 44 GLU QB 2 47 GLN HG2 . . 3.840 2.134 1.991 2.273 . 0 0 "[ . 1 . 2]" 1
1631 2 44 GLU QB 2 48 GLY H . . 5.500 4.871 3.887 6.060 0.560 9 1 "[ . +1 . 2]" 1
1632 2 45 GLN H 2 45 GLN QB . . 3.690 2.531 2.300 2.900 . 0 0 "[ . 1 . 2]" 1
1633 2 45 GLN H 2 45 GLN QG . . 3.220 2.872 2.015 3.332 0.112 8 0 "[ . 1 . 2]" 1
1634 2 45 GLN H 2 46 THR H . . 3.820 2.871 2.479 3.254 . 0 0 "[ . 1 . 2]" 1
1635 2 45 GLN H 2 46 THR MG . . 4.490 4.308 3.913 4.795 0.305 1 0 "[ . 1 . 2]" 1
1636 2 45 GLN H 2 47 GLN H . . 4.470 4.303 4.086 4.574 0.104 9 0 "[ . 1 . 2]" 1
1637 2 45 GLN HA 2 45 GLN QG . . 3.620 3.530 3.376 3.612 . 0 0 "[ . 1 . 2]" 1
1638 2 45 GLN HA 2 46 THR HA . . 4.870 4.770 4.537 4.881 0.011 1 0 "[ . 1 . 2]" 1
1639 2 45 GLN HA 2 47 GLN H . . 4.240 3.790 3.445 4.293 0.053 19 0 "[ . 1 . 2]" 1
1640 2 45 GLN QB 2 46 THR H . . 4.170 3.632 3.389 3.950 . 0 0 "[ . 1 . 2]" 1
1641 2 45 GLN QB 2 46 THR MG . . 4.450 4.143 3.758 4.915 0.465 17 0 "[ . 1 . 2]" 1
1642 2 45 GLN QE 2 45 GLN QG . . 3.040 2.273 2.149 2.425 . 0 0 "[ . 1 . 2]" 1
1643 2 45 GLN HE22 2 45 GLN QG . . 3.570 3.303 3.236 3.412 . 0 0 "[ . 1 . 2]" 1
1644 2 45 GLN QG 2 46 THR H . . 4.100 2.635 2.212 3.332 . 0 0 "[ . 1 . 2]" 1
1645 2 45 GLN QG 2 46 THR HA . . 4.130 3.773 3.483 4.200 0.070 9 0 "[ . 1 . 2]" 1
1646 2 45 GLN QG 2 46 THR HB . . 5.140 4.864 3.274 5.441 0.301 12 0 "[ . 1 . 2]" 1
1647 2 45 GLN QG 2 46 THR MG . . 4.120 2.531 2.211 3.825 . 0 0 "[ . 1 . 2]" 1
1648 2 46 THR H 2 46 THR HB . . 4.120 3.492 2.477 3.779 . 0 0 "[ . 1 . 2]" 1
1649 2 46 THR H 2 46 THR MG . . 3.820 2.360 2.081 2.839 . 0 0 "[ . 1 . 2]" 1
1650 2 46 THR H 2 47 GLN H . . 3.370 2.658 2.080 3.002 . 0 0 "[ . 1 . 2]" 1
1651 2 46 THR H 2 47 GLN HG2 . . 4.280 3.921 3.086 4.563 0.283 7 0 "[ . 1 . 2]" 1
1652 2 46 THR H 2 48 GLY H . . 4.510 4.622 3.885 5.211 0.701 11 5 "[ *- . 1+ .** 2]" 1
1653 2 46 THR HA 2 46 THR MG . . 3.040 2.372 2.187 3.274 0.234 17 0 "[ . 1 . 2]" 1
1654 2 46 THR HB 2 47 GLN H . . 4.460 4.163 3.871 4.486 0.026 3 0 "[ . 1 . 2]" 1
1655 2 46 THR MG 2 47 GLN H . . 4.110 4.194 3.015 4.441 0.331 1 0 "[ . 1 . 2]" 1
1656 2 47 GLN H 2 47 GLN HB2 . . 3.240 2.585 2.390 2.743 . 0 0 "[ . 1 . 2]" 1
1657 2 47 GLN H 2 47 GLN QE . . 4.630 3.969 2.749 5.609 0.979 3 2 "[ + . 1 - . 2]" 1
1658 2 47 GLN H 2 47 GLN HG2 . . 3.680 2.440 2.095 3.125 . 0 0 "[ . 1 . 2]" 1
1659 2 47 GLN H 2 48 GLY H . . 4.040 2.520 1.999 2.898 . 0 0 "[ . 1 . 2]" 1
1660 2 47 GLN HA 2 47 GLN HG2 . . 3.520 3.251 2.855 3.486 . 0 0 "[ . 1 . 2]" 1
1661 2 47 GLN HB2 2 48 GLY H . . 4.150 2.699 1.969 3.907 . 0 0 "[ . 1 . 2]" 1
1662 2 47 GLN HG2 2 48 GLY H . . 4.110 4.283 3.881 4.722 0.612 1 2 "[+ . 1 . - 2]" 1
1663 2 48 GLY H 2 49 ASN H . . 4.720 2.963 2.470 3.636 . 0 0 "[ . 1 . 2]" 1
1664 2 49 ASN H 2 50 PHE H . . 4.540 2.720 2.235 3.309 . 0 0 "[ . 1 . 2]" 1
1665 2 49 ASN HA 2 124 TYR QE . . 4.640 4.228 2.271 4.711 0.071 1 0 "[ . 1 . 2]" 1
1666 2 49 ASN HB2 2 124 TYR QE . . 4.050 3.475 2.395 4.548 0.498 2 0 "[ . 1 . 2]" 1
1667 2 50 PHE H 2 124 TYR QE . . 5.500 5.388 3.705 6.629 1.129 13 3 "[ . -*1 + . 2]" 1
1668 2 50 PHE HA 2 121 ILE HA . . 4.290 2.679 2.214 3.749 . 0 0 "[ . 1 . 2]" 1
1669 2 50 PHE HB3 2 121 ILE HA . . 5.170 4.452 2.241 5.390 0.220 12 0 "[ . 1 . 2]" 1
1670 2 51 GLY H 2 52 ASP H . . 4.760 3.408 2.695 4.277 . 0 0 "[ . 1 . 2]" 1
1671 2 51 GLY H 2 120 HIS HA . . 4.580 3.428 2.876 4.278 . 0 0 "[ . 1 . 2]" 1
1672 2 51 GLY H 2 120 HIS HB3 . . 4.190 2.712 1.808 4.379 0.189 15 0 "[ . 1 . 2]" 1
1673 2 51 GLY H 2 123 ALA MB . . 4.870 3.436 2.728 4.343 . 0 0 "[ . 1 . 2]" 1
1674 2 51 GLY HA3 2 120 HIS HB3 . . 4.830 4.664 3.898 5.435 0.605 15 1 "[ . 1 + 2]" 1
1675 2 52 ASP H 2 54 ASP H . . 4.910 4.985 4.510 5.564 0.654 20 2 "[ . - 1 . +]" 1
1676 2 52 ASP H 2 55 LEU H . . 4.340 3.914 3.222 4.647 0.307 8 0 "[ . 1 . 2]" 1
1677 2 52 ASP H 2 55 LEU HB3 . . 4.230 2.872 1.944 3.655 . 0 0 "[ . 1 . 2]" 1
1678 2 52 ASP H 2 120 HIS HA . . 4.350 3.345 2.754 4.890 0.540 13 1 "[ . 1 + . 2]" 1
1679 2 52 ASP H 2 120 HIS HB3 . . 4.360 3.458 2.848 4.776 0.416 12 0 "[ . 1 . 2]" 1
1680 2 52 ASP H 2 120 HIS HE1 . . 4.760 4.147 2.934 5.526 0.766 18 2 "[ . 1 - + 2]" 1
1681 2 52 ASP H 2 123 ALA MB . . 4.850 3.690 2.416 4.371 . 0 0 "[ . 1 . 2]" 1
1682 2 52 ASP H 2 127 PHE QE . . 4.910 5.287 4.356 6.324 1.414 18 8 "[ *.-* *1 * *.* + 2]" 1
1683 2 52 ASP HA 2 120 HIS HA . . 4.450 3.703 3.199 5.884 1.434 18 1 "[ . 1 . + 2]" 1
1684 2 52 ASP HA 2 123 ALA HA . . 4.780 4.510 3.651 6.573 1.793 18 1 "[ . 1 . + 2]" 1
1685 2 52 ASP HA 2 123 ALA MB . . 3.940 2.166 1.866 3.749 . 0 0 "[ . 1 . 2]" 1
1686 2 52 ASP HA 2 124 TYR QB . . 5.500 6.093 4.960 7.340 1.840 8 12 "[ *** +**** .** -*]" 1
1687 2 52 ASP HA 2 127 PHE QE . . 4.260 2.768 2.064 4.817 0.557 18 1 "[ . 1 . + 2]" 1
1688 2 52 ASP HB3 2 54 ASP H . . 4.210 3.677 2.775 5.175 0.965 18 1 "[ . 1 . + 2]" 1
1689 2 53 GLN H 2 53 GLN HB2 . . 3.690 3.519 2.216 3.709 0.019 4 0 "[ . 1 . 2]" 1
1690 2 53 GLN H 2 54 ASP H . . 3.380 2.828 2.614 4.182 0.802 18 1 "[ . 1 . + 2]" 1
1691 2 53 GLN H 2 56 ILE MD . . 4.650 4.592 3.047 5.436 0.786 16 2 "[ . 1 .+ -]" 1
1692 2 53 GLN H 2 123 ALA HA . . 5.500 5.362 4.802 5.900 0.400 15 0 "[ . 1 . 2]" 1
1693 2 53 GLN H 2 123 ALA MB . . 3.540 3.340 3.021 3.794 0.254 15 0 "[ . 1 . 2]" 1
1694 2 53 GLN H 2 127 PHE QE . . 3.160 2.265 2.026 2.742 . 0 0 "[ . 1 . 2]" 1
1695 2 53 GLN HA 2 53 GLN QG . . 3.830 3.295 2.446 3.399 . 0 0 "[ . 1 . 2]" 1
1696 2 53 GLN HA 2 56 ILE MD . . 3.920 2.501 1.994 3.074 . 0 0 "[ . 1 . 2]" 1
1697 2 53 GLN HA 2 127 PHE QE . . 3.760 3.622 2.370 4.128 0.368 15 0 "[ . 1 . 2]" 1
1698 2 53 GLN QE 2 127 PHE QE . . 4.110 3.423 2.368 4.296 0.186 1 0 "[ . 1 . 2]" 1
1699 2 53 GLN QE 2 128 PRO QD . . 3.460 2.898 2.082 3.779 0.319 11 0 "[ . 1 . 2]" 1
1700 2 53 GLN HE21 2 128 PRO QD . . 4.030 3.502 2.739 4.284 0.254 9 0 "[ . 1 . 2]" 1
1701 2 53 GLN HE22 2 128 PRO QD . . 4.030 3.150 2.158 4.270 0.240 11 0 "[ . 1 . 2]" 1
1702 2 53 GLN QG 2 54 ASP H . . 4.050 2.737 2.242 3.751 . 0 0 "[ . 1 . 2]" 1
1703 2 53 GLN QG 2 54 ASP HB2 . . 5.090 3.817 3.158 4.831 . 0 0 "[ . 1 . 2]" 1
1704 2 53 GLN QG 2 127 PHE QE . . 4.020 3.055 2.432 4.231 0.211 17 0 "[ . 1 . 2]" 1
1705 2 54 ASP H 2 54 ASP HB2 . . 3.330 2.372 2.077 2.720 . 0 0 "[ . 1 . 2]" 1
1706 2 54 ASP H 2 55 LEU H . . 3.550 2.409 2.140 2.648 . 0 0 "[ . 1 . 2]" 1
1707 2 54 ASP H 2 56 ILE H . . 4.280 4.284 3.989 4.660 0.380 11 0 "[ . 1 . 2]" 1
1708 2 54 ASP H 2 57 ARG H . . 5.080 4.922 4.545 5.235 0.155 18 0 "[ . 1 . 2]" 1
1709 2 54 ASP H 2 127 PHE QE . . 5.380 4.904 4.569 5.541 0.161 18 0 "[ . 1 . 2]" 1
1710 2 54 ASP HA 2 56 ILE H . . 5.030 4.656 4.374 4.906 . 0 0 "[ . 1 . 2]" 1
1711 2 54 ASP HA 2 57 ARG H . . 4.350 3.470 3.035 3.929 . 0 0 "[ . 1 . 2]" 1
1712 2 54 ASP HB2 2 55 LEU H . . 3.800 3.504 2.697 4.206 0.406 17 0 "[ . 1 . 2]" 1
1713 2 55 LEU H 2 55 LEU HB3 . . 4.000 2.527 2.404 2.711 . 0 0 "[ . 1 . 2]" 1
1714 2 55 LEU H 2 55 LEU HG . . 4.740 4.492 4.379 4.591 . 0 0 "[ . 1 . 2]" 1
1715 2 55 LEU H 2 56 ILE H . . 3.960 2.709 2.466 2.939 . 0 0 "[ . 1 . 2]" 1
1716 2 55 LEU H 2 56 ILE MG . . 4.770 4.314 3.884 4.788 0.018 11 0 "[ . 1 . 2]" 1
1717 2 55 LEU H 2 57 ARG H . . 4.400 3.897 3.618 4.097 . 0 0 "[ . 1 . 2]" 1
1718 2 55 LEU H 2 120 HIS HE1 . . 4.350 4.130 2.998 6.077 1.727 15 2 "[ . - 1 + 2]" 1
1719 2 55 LEU HA 2 55 LEU MD1 . . 3.530 2.151 2.085 2.261 . 0 0 "[ . 1 . 2]" 1
1720 2 55 LEU HA 2 55 LEU HG . . 3.810 3.160 2.980 3.312 . 0 0 "[ . 1 . 2]" 1
1721 2 55 LEU HA 2 57 ARG H . . 4.640 3.914 3.690 4.085 . 0 0 "[ . 1 . 2]" 1
1722 2 55 LEU HA 2 57 ARG HB3 . . 5.090 4.846 4.431 5.332 0.242 4 0 "[ . 1 . 2]" 1
1723 2 55 LEU HA 2 58 GLN H . . 4.410 3.843 3.469 4.505 0.095 3 0 "[ . 1 . 2]" 1
1724 2 55 LEU HA 2 59 GLY H . . 3.980 3.755 3.130 4.083 0.103 10 0 "[ . 1 . 2]" 1
1725 2 55 LEU HA 2 59 GLY HA2 . . 5.470 4.512 3.701 5.060 . 0 0 "[ . 1 . 2]" 1
1726 2 55 LEU HA 2 62 TYR HB3 . . 4.620 3.737 3.237 4.441 . 0 0 "[ . 1 . 2]" 1
1727 2 55 LEU HA 2 120 HIS HE1 . . 4.150 3.918 3.363 4.975 0.825 15 2 "[ . - 1 + 2]" 1
1728 2 55 LEU HA 2 120 HIS HE2 . . 5.500 5.667 4.714 6.302 0.802 1 3 "[+ . 1 . *-]" 1
1729 2 55 LEU HB3 2 56 ILE H . . 4.090 2.455 2.206 2.838 . 0 0 "[ . 1 . 2]" 1
1730 2 55 LEU HB3 2 120 HIS HE1 . . 4.140 3.826 3.136 4.765 0.625 15 1 "[ . 1 + 2]" 1
1731 2 55 LEU MD1 2 59 GLY H . . 4.330 3.367 2.672 4.223 . 0 0 "[ . 1 . 2]" 1
1732 2 55 LEU MD1 2 59 GLY HA2 . . 4.210 2.845 2.199 3.460 . 0 0 "[ . 1 . 2]" 1
1733 2 55 LEU MD1 2 60 THR HA . . 4.900 4.324 3.934 4.916 0.016 15 0 "[ . 1 . 2]" 1
1734 2 55 LEU MD1 2 62 TYR HB3 . . 3.810 2.632 2.321 3.253 . 0 0 "[ . 1 . 2]" 1
1735 2 55 LEU MD1 2 65 TRP HA . . 4.790 4.186 3.739 4.592 . 0 0 "[ . 1 . 2]" 1
1736 2 55 LEU MD1 2 65 TRP HE3 . . 3.900 2.412 2.172 3.012 . 0 0 "[ . 1 . 2]" 1
1737 2 55 LEU MD1 2 120 HIS HE1 . . 4.010 2.792 2.140 3.724 . 0 0 "[ . 1 . 2]" 1
1738 2 55 LEU MD1 2 120 HIS HE2 . . 5.010 4.726 4.124 5.553 0.543 19 1 "[ . 1 . +2]" 1
1739 2 55 LEU HG 2 56 ILE H . . 4.370 3.578 3.125 3.910 . 0 0 "[ . 1 . 2]" 1
1740 2 55 LEU HG 2 56 ILE MG . . 4.600 3.664 3.307 4.054 . 0 0 "[ . 1 . 2]" 1
1741 2 55 LEU HG 2 59 GLY HA2 . . 4.720 3.400 3.049 3.944 . 0 0 "[ . 1 . 2]" 1
1742 2 55 LEU HG 2 120 HIS HE1 . . 4.720 4.788 4.338 5.177 0.457 9 0 "[ . 1 . 2]" 1
1743 2 56 ILE H 2 56 ILE HB . . 3.830 3.668 3.597 3.750 . 0 0 "[ . 1 . 2]" 1
1744 2 56 ILE H 2 56 ILE MD . . 3.680 3.667 1.876 3.977 0.297 16 0 "[ . 1 . 2]" 1
1745 2 56 ILE H 2 56 ILE MG . . 3.790 2.235 2.010 2.528 . 0 0 "[ . 1 . 2]" 1
1746 2 56 ILE H 2 57 ARG H . . 3.930 2.801 2.655 2.929 . 0 0 "[ . 1 . 2]" 1
1747 2 56 ILE H 2 57 ARG HA . . 5.280 5.338 5.223 5.433 0.153 5 0 "[ . 1 . 2]" 1
1748 2 56 ILE H 2 57 ARG HB3 . . 5.130 5.294 5.014 5.626 0.496 4 0 "[ . 1 . 2]" 1
1749 2 56 ILE H 2 59 GLY H . . 5.400 4.938 4.745 5.652 0.252 18 0 "[ . 1 . 2]" 1
1750 2 56 ILE HA 2 59 GLY HA2 . . 5.500 4.255 3.648 4.734 . 0 0 "[ . 1 . 2]" 1
1751 2 56 ILE MD 2 127 PHE QE . . 3.530 3.163 2.322 4.116 0.586 9 1 "[ . +1 . 2]" 1
1752 2 56 ILE MG 2 57 ARG H . . 4.140 4.214 4.097 4.361 0.221 4 0 "[ . 1 . 2]" 1
1753 2 57 ARG H 2 57 ARG HB3 . . 3.460 2.671 2.402 2.893 . 0 0 "[ . 1 . 2]" 1
1754 2 57 ARG H 2 57 ARG HD2 . . 4.530 4.528 4.123 4.979 0.449 6 0 "[ . 1 . 2]" 1
1755 2 57 ARG H 2 58 GLN H . . 3.860 2.813 2.541 3.151 . 0 0 "[ . 1 . 2]" 1
1756 2 57 ARG H 2 59 GLY H . . 4.230 4.027 3.898 4.486 0.256 18 0 "[ . 1 . 2]" 1
1757 2 57 ARG HA 2 57 ARG HD2 . . 3.770 2.323 2.073 2.731 . 0 0 "[ . 1 . 2]" 1
1758 2 57 ARG HA 2 57 ARG HG3 . . 3.890 2.864 2.523 3.128 . 0 0 "[ . 1 . 2]" 1
1759 2 57 ARG HB3 2 57 ARG HD2 . . 3.810 3.814 3.656 4.011 0.201 10 0 "[ . 1 . 2]" 1
1760 2 57 ARG HD2 2 57 ARG HG3 . . 2.640 2.479 2.351 2.614 . 0 0 "[ . 1 . 2]" 1
1761 2 57 ARG HD2 2 58 GLN H . . 5.310 5.376 4.997 5.570 0.260 6 0 "[ . 1 . 2]" 1
1762 2 57 ARG HG3 2 58 GLN H . . 3.840 4.100 3.734 4.759 0.919 4 6 "[ - +* **1 * 2]" 1
1763 2 58 GLN H 2 58 GLN HB2 . . 3.470 2.765 2.588 2.950 . 0 0 "[ . 1 . 2]" 1
1764 2 58 GLN H 2 58 GLN QE . . 4.510 4.574 3.986 5.009 0.499 7 0 "[ . 1 . 2]" 1
1765 2 58 GLN H 2 58 GLN QG . . 4.500 3.076 2.780 3.433 . 0 0 "[ . 1 . 2]" 1
1766 2 58 GLN H 2 59 GLY H . . 3.680 2.157 2.013 2.254 . 0 0 "[ . 1 . 2]" 1
1767 2 58 GLN H 2 59 GLY HA2 . . 5.500 4.400 4.215 4.523 . 0 0 "[ . 1 . 2]" 1
1768 2 58 GLN H 2 61 ASP H . . 5.370 5.433 5.018 5.630 0.260 18 0 "[ . 1 . 2]" 1
1769 2 58 GLN H 2 61 ASP HB2 . . 5.500 5.632 4.781 6.401 0.901 19 3 "[ . 1 -.* +2]" 1
1770 2 58 GLN HA 2 58 GLN QG . . 3.770 2.360 2.155 2.557 . 0 0 "[ . 1 . 2]" 1
1771 2 58 GLN HB2 2 58 GLN QE . . 4.120 2.717 2.138 3.279 . 0 0 "[ . 1 . 2]" 1
1772 2 58 GLN HB2 2 59 GLY H . . 4.000 3.613 2.873 3.842 . 0 0 "[ . 1 . 2]" 1
1773 2 58 GLN HB2 2 61 ASP HB2 . . 4.580 3.452 2.280 4.100 . 0 0 "[ . 1 . 2]" 1
1774 2 58 GLN HB2 2 62 TYR H . . 4.570 3.660 3.261 4.171 . 0 0 "[ . 1 . 2]" 1
1775 2 58 GLN HB2 2 62 TYR HB3 . . 5.500 4.799 3.958 5.845 0.345 3 0 "[ . 1 . 2]" 1
1776 2 58 GLN QG 2 59 GLY H . . 5.110 4.542 4.218 4.716 . 0 0 "[ . 1 . 2]" 1
1777 2 59 GLY H 2 60 THR H . . 4.530 4.582 4.481 4.656 0.126 8 0 "[ . 1 . 2]" 1
1778 2 59 GLY H 2 61 ASP H . . 4.110 4.431 4.098 4.585 0.475 14 0 "[ . 1 . 2]" 1
1779 2 59 GLY H 2 62 TYR H . . 4.380 4.460 3.841 4.851 0.471 2 0 "[ . 1 . 2]" 1
1780 2 59 GLY HA2 2 60 THR MG . . 4.390 4.564 4.292 4.842 0.452 16 0 "[ . 1 . 2]" 1
1781 2 59 GLY HA2 2 61 ASP H . . 4.190 4.472 4.351 4.575 0.385 9 0 "[ . 1 . 2]" 1
1782 2 60 THR H 2 60 THR MG . . 3.940 2.327 2.128 2.561 . 0 0 "[ . 1 . 2]" 1
1783 2 60 THR H 2 61 ASP H . . 3.880 2.831 2.618 2.969 . 0 0 "[ . 1 . 2]" 1
1784 2 60 THR HA 2 60 THR MG . . 3.330 2.324 2.200 2.475 . 0 0 "[ . 1 . 2]" 1
1785 2 60 THR HA 2 62 TYR HB3 . . 4.850 4.460 4.082 4.771 . 0 0 "[ . 1 . 2]" 1
1786 2 60 THR HA 2 65 TRP HD1 . . 4.260 3.560 2.974 4.515 0.255 18 0 "[ . 1 . 2]" 1
1787 2 60 THR HA 2 65 TRP HE1 . . 4.310 3.620 2.913 4.515 0.205 18 0 "[ . 1 . 2]" 1
1788 2 60 THR HB 2 65 TRP HD1 . . 4.480 3.775 3.039 4.613 0.133 18 0 "[ . 1 . 2]" 1
1789 2 60 THR HB 2 65 TRP HE1 . . 4.320 3.661 2.783 4.356 0.036 15 0 "[ . 1 . 2]" 1
1790 2 60 THR MG 2 65 TRP HD1 . . 4.280 3.956 3.394 4.605 0.325 18 0 "[ . 1 . 2]" 1
1791 2 60 THR MG 2 65 TRP HE1 . . 4.180 2.645 2.305 3.439 . 0 0 "[ . 1 . 2]" 1
1792 2 61 ASP H 2 61 ASP HB2 . . 3.670 2.284 2.108 2.575 . 0 0 "[ . 1 . 2]" 1
1793 2 61 ASP HB2 2 62 TYR H . . 4.310 3.894 3.476 4.267 . 0 0 "[ . 1 . 2]" 1
1794 2 62 TYR H 2 62 TYR HB3 . . 3.610 2.329 2.196 2.548 . 0 0 "[ . 1 . 2]" 1
1795 2 62 TYR H 2 65 TRP H . . 5.100 4.872 4.368 5.435 0.335 18 0 "[ . 1 . 2]" 1
1796 2 62 TYR H 2 65 TRP HD1 . . 5.400 5.491 4.840 6.332 0.932 18 3 "[ . 1 - . +*2]" 1
1797 2 62 TYR H 2 65 TRP HE3 . . 5.500 4.967 4.278 5.588 0.088 4 0 "[ . 1 . 2]" 1
1798 2 62 TYR HB3 2 65 TRP H . . 4.570 3.973 3.217 4.424 . 0 0 "[ . 1 . 2]" 1
1799 2 62 TYR HB3 2 65 TRP HA . . 4.670 4.112 3.578 4.576 . 0 0 "[ . 1 . 2]" 1
1800 2 62 TYR HB3 2 65 TRP HE3 . . 4.460 3.520 2.772 4.197 . 0 0 "[ . 1 . 2]" 1
1801 2 63 LYS H 2 63 LYS HG3 . . 4.760 3.833 2.865 4.534 . 0 0 "[ . 1 . 2]" 1
1802 2 63 LYS HA 2 63 LYS QD . . 3.740 3.231 2.073 3.956 0.216 2 0 "[ . 1 . 2]" 1
1803 2 63 LYS HA 2 63 LYS QE . . 4.290 3.366 1.945 4.448 0.158 19 0 "[ . 1 . 2]" 1
1804 2 63 LYS HA 2 63 LYS HG3 . . 3.730 3.508 2.552 3.832 0.102 10 0 "[ . 1 . 2]" 1
1805 2 63 LYS HA 2 64 HIS HA . . 4.510 4.434 4.311 4.675 0.165 14 0 "[ . 1 . 2]" 1
1806 2 63 LYS HA 2 65 TRP H . . 4.190 3.592 3.345 4.203 0.013 5 0 "[ . 1 . 2]" 1
1807 2 63 LYS QB 2 63 LYS QD . . 3.140 2.273 2.002 2.478 . 0 0 "[ . 1 . 2]" 1
1808 2 63 LYS QB 2 63 LYS QE . . 4.550 3.276 2.178 3.893 . 0 0 "[ . 1 . 2]" 1
1809 2 63 LYS QB 2 64 HIS HA . . 5.400 4.526 4.176 4.980 . 0 0 "[ . 1 . 2]" 1
1810 2 63 LYS QB 2 64 HIS HD2 . . 4.060 2.717 2.176 3.972 . 0 0 "[ . 1 . 2]" 1
1811 2 63 LYS QB 2 64 HIS HE1 . . 4.550 4.929 3.708 6.061 1.511 17 9 "[* * ** -*1 * * + 2]" 1
1812 2 63 LYS QB 2 65 TRP H . . 5.500 4.590 4.357 4.793 . 0 0 "[ . 1 . 2]" 1
1813 2 63 LYS QD 2 64 HIS HD2 . . 4.620 3.932 2.928 5.517 0.897 13 2 "[ . 1 + . -]" 1
1814 2 63 LYS QD 2 64 HIS HE1 . . 3.640 4.214 2.959 6.360 2.720 9 10 "[ * .***+* * -* * 2]" 1
1815 2 63 LYS QE 2 64 HIS HE1 . . 4.930 5.081 2.849 6.665 1.735 2 9 "[-+ . **** ** *2]" 1
1816 2 64 HIS HA 2 66 PRO HD3 . . 5.000 5.002 4.760 5.393 0.393 14 0 "[ . 1 . 2]" 1
1817 2 64 HIS HA 2 66 PRO HG2 . . 4.600 4.175 3.891 4.550 . 0 0 "[ . 1 . 2]" 1
1818 2 64 HIS HA 2 67 GLN H . . 4.050 3.360 3.050 3.766 . 0 0 "[ . 1 . 2]" 1
1819 2 64 HIS HA 2 67 GLN HB2 . . 4.020 2.867 2.347 3.985 . 0 0 "[ . 1 . 2]" 1
1820 2 64 HIS HA 2 116 LEU MD1 . . 5.500 5.084 4.279 5.481 . 0 0 "[ . 1 . 2]" 1
1821 2 64 HIS HB3 2 67 GLN HA . . 5.420 5.232 4.907 5.657 0.237 14 0 "[ . 1 . 2]" 1
1822 2 64 HIS HB3 2 67 GLN HB2 . . 3.910 2.791 2.461 3.464 . 0 0 "[ . 1 . 2]" 1
1823 2 64 HIS HB3 2 116 LEU MD1 . . 3.840 3.396 2.348 3.878 0.038 20 0 "[ . 1 . 2]" 1
1824 2 64 HIS HD2 2 116 LEU MD1 . . 3.820 3.233 2.417 4.317 0.497 14 0 "[ . 1 . 2]" 1
1825 2 64 HIS HD2 2 120 HIS HE2 . . 5.500 5.677 4.244 6.190 0.690 3 4 "[ + . -* 1 * . 2]" 1
1826 2 65 TRP H 2 65 TRP HD1 . . 4.800 4.876 4.670 5.057 0.257 17 0 "[ . 1 . 2]" 1
1827 2 65 TRP H 2 66 PRO HD3 . . 3.780 3.549 3.399 3.761 . 0 0 "[ . 1 . 2]" 1
1828 2 65 TRP H 2 68 ILE MD . . 4.550 4.477 4.029 5.378 0.828 18 1 "[ . 1 . + 2]" 1
1829 2 65 TRP H 2 116 LEU MD1 . . 5.500 5.574 5.129 6.140 0.640 14 1 "[ . 1 +. 2]" 1
1830 2 65 TRP HA 2 65 TRP HE3 . . 4.150 2.683 2.270 3.098 . 0 0 "[ . 1 . 2]" 1
1831 2 65 TRP HA 2 68 ILE H . . 4.410 4.069 3.679 4.626 0.216 15 0 "[ . 1 . 2]" 1
1832 2 65 TRP HA 2 68 ILE HB . . 4.680 4.257 3.644 5.207 0.527 4 1 "[ +. 1 . 2]" 1
1833 2 65 TRP HA 2 68 ILE MD . . 4.150 2.614 2.191 3.469 . 0 0 "[ . 1 . 2]" 1
1834 2 65 TRP HA 2 68 ILE QG . . 5.210 4.466 3.428 5.175 . 0 0 "[ . 1 . 2]" 1
1835 2 65 TRP HA 2 68 ILE MG . . 5.500 5.383 4.813 6.203 0.703 4 1 "[ +. 1 . 2]" 1
1836 2 65 TRP HE3 2 68 ILE MD . . 3.870 3.614 2.410 4.659 0.789 15 2 "[ - . 1 + 2]" 1
1837 2 66 PRO HA 2 68 ILE H . . 4.230 3.771 3.376 4.299 0.069 18 0 "[ . 1 . 2]" 1
1838 2 66 PRO HA 2 68 ILE HB . . 4.820 4.727 4.350 5.277 0.457 8 0 "[ . 1 . 2]" 1
1839 2 66 PRO HA 2 68 ILE MD . . 5.170 4.937 4.370 6.129 0.959 18 1 "[ . 1 . + 2]" 1
1840 2 66 PRO HA 2 69 ALA H . . 3.790 3.157 2.760 3.544 . 0 0 "[ . 1 . 2]" 1
1841 2 66 PRO HA 2 69 ALA MB . . 3.950 2.403 2.080 2.981 . 0 0 "[ . 1 . 2]" 1
1842 2 66 PRO HB2 2 67 GLN H . . 3.830 3.913 3.687 4.084 0.254 4 0 "[ . 1 . 2]" 1
1843 2 66 PRO HB2 2 68 ILE H . . 5.360 5.335 4.947 5.732 0.372 18 0 "[ . 1 . 2]" 1
1844 2 66 PRO HD3 2 67 GLN H . . 4.070 4.062 3.962 4.232 0.162 1 0 "[ . 1 . 2]" 1
1845 2 67 GLN H 2 67 GLN HB2 . . 3.020 2.274 2.177 2.415 . 0 0 "[ . 1 . 2]" 1
1846 2 67 GLN H 2 67 GLN HG2 . . 4.770 4.494 3.826 4.586 . 0 0 "[ . 1 . 2]" 1
1847 2 67 GLN H 2 68 ILE HB . . 5.030 4.828 4.446 5.352 0.322 8 0 "[ . 1 . 2]" 1
1848 2 67 GLN H 2 68 ILE MD . . 4.150 3.674 2.930 5.260 1.110 18 2 "[ . 1 -. + 2]" 1
1849 2 67 GLN H 2 69 ALA H . . 4.600 4.377 4.050 4.693 0.093 20 0 "[ . 1 . 2]" 1
1850 2 67 GLN HA 2 67 GLN HG2 . . 3.740 2.865 2.423 3.092 . 0 0 "[ . 1 . 2]" 1
1851 2 67 GLN HA 2 68 ILE MD . . 5.500 4.916 4.114 6.467 0.967 18 4 "[ - .* 1 *. + 2]" 1
1852 2 67 GLN HA 2 70 GLN H . . 3.690 3.622 3.258 3.935 0.245 9 0 "[ . 1 . 2]" 1
1853 2 67 GLN HA 2 70 GLN QE . . 3.750 2.913 2.335 4.095 0.345 7 0 "[ . 1 . 2]" 1
1854 2 67 GLN HA 2 70 GLN HG2 . . 4.570 3.522 2.349 4.313 . 0 0 "[ . 1 . 2]" 1
1855 2 67 GLN HB2 2 68 ILE H . . 4.120 3.900 3.215 4.106 . 0 0 "[ . 1 . 2]" 1
1856 2 67 GLN HB2 2 70 GLN QE . . 4.960 4.325 3.834 5.877 0.917 7 1 "[ . + 1 . 2]" 1
1857 2 67 GLN QE 2 67 GLN HG2 . . 3.000 2.272 2.143 2.737 . 0 0 "[ . 1 . 2]" 1
1858 2 67 GLN QE 2 112 ASP QB . . 3.490 2.758 1.813 3.623 0.133 14 0 "[ . 1 . 2]" 1
1859 2 67 GLN QE 2 113 ASN HA . . 3.500 2.697 1.915 3.172 . 0 0 "[ . 1 . 2]" 1
1860 2 67 GLN QE 2 113 ASN QD . . 3.560 3.019 2.065 3.977 0.417 9 0 "[ . 1 . 2]" 1
1861 2 67 GLN QE 2 116 LEU QB . . 3.950 3.218 2.420 4.069 0.119 11 0 "[ . 1 . 2]" 1
1862 2 67 GLN HE21 2 113 ASN H . . 4.550 4.159 3.445 4.774 0.224 4 0 "[ . 1 . 2]" 1
1863 2 67 GLN HE21 2 113 ASN HA . . 4.080 2.862 1.926 4.126 0.046 11 0 "[ . 1 . 2]" 1
1864 2 67 GLN HE21 2 116 LEU QB . . 4.590 3.677 2.860 5.053 0.463 11 0 "[ . 1 . 2]" 1
1865 2 67 GLN HE22 2 67 GLN HG2 . . 3.720 3.562 3.492 3.790 0.070 1 0 "[ . 1 . 2]" 1
1866 2 67 GLN HE22 2 113 ASN H . . 4.550 4.550 2.930 5.169 0.619 19 3 "[ . 1 * - +2]" 1
1867 2 67 GLN HE22 2 113 ASN HA . . 4.080 3.664 2.505 4.429 0.349 15 0 "[ . 1 . 2]" 1
1868 2 67 GLN HE22 2 116 LEU QB . . 4.590 3.596 2.585 4.407 . 0 0 "[ . 1 . 2]" 1
1869 2 67 GLN HG2 2 70 GLN QE . . 3.990 2.431 2.065 3.901 . 0 0 "[ . 1 . 2]" 1
1870 2 67 GLN HG2 2 113 ASN QD . . 3.980 3.264 2.359 4.513 0.533 1 1 "[+ . 1 . 2]" 1
1871 2 68 ILE H 2 68 ILE HB . . 3.600 2.423 2.233 2.727 . 0 0 "[ . 1 . 2]" 1
1872 2 68 ILE H 2 68 ILE MD . . 3.580 2.431 1.835 3.557 . 0 0 "[ . 1 . 2]" 1
1873 2 68 ILE H 2 68 ILE MG . . 4.040 3.755 3.671 3.867 . 0 0 "[ . 1 . 2]" 1
1874 2 68 ILE H 2 69 ALA H . . 3.450 2.474 2.207 2.662 . 0 0 "[ . 1 . 2]" 1
1875 2 68 ILE H 2 69 ALA HA . . 5.330 5.084 4.862 5.268 . 0 0 "[ . 1 . 2]" 1
1876 2 68 ILE H 2 70 GLN H . . 3.790 3.838 3.538 4.016 0.226 19 0 "[ . 1 . 2]" 1
1877 2 68 ILE H 2 70 GLN QE . . 5.430 5.012 4.486 6.612 1.182 7 1 "[ . + 1 . 2]" 1
1878 2 68 ILE H 2 71 PHE QE . . 4.830 5.259 4.782 6.147 1.317 14 9 "[ * . -* 1* +* ** *]" 1
1879 2 68 ILE HA 2 68 ILE MD . . 3.810 3.409 2.801 3.957 0.147 14 0 "[ . 1 . 2]" 1
1880 2 68 ILE HA 2 68 ILE QG . . 3.680 2.455 2.318 2.553 . 0 0 "[ . 1 . 2]" 1
1881 2 68 ILE HA 2 69 ALA MB . . 5.080 5.051 5.008 5.097 0.017 6 0 "[ . 1 . 2]" 1
1882 2 68 ILE HA 2 70 GLN H . . 4.210 4.178 3.919 4.479 0.269 13 0 "[ . 1 . 2]" 1
1883 2 68 ILE HA 2 71 PHE QE . . 3.760 2.563 2.183 3.317 . 0 0 "[ . 1 . 2]" 1
1884 2 68 ILE HB 2 69 ALA H . . 3.650 2.384 2.215 2.559 . 0 0 "[ . 1 . 2]" 1
1885 2 68 ILE HB 2 69 ALA MB . . 4.380 3.873 3.712 4.115 . 0 0 "[ . 1 . 2]" 1
1886 2 68 ILE HB 2 70 GLN H . . 4.850 4.935 4.757 5.167 0.317 5 0 "[ . 1 . 2]" 1
1887 2 68 ILE MD 2 68 ILE MG . . 3.970 2.942 2.104 3.277 . 0 0 "[ . 1 . 2]" 1
1888 2 68 ILE MD 2 116 LEU QB . . 4.850 4.198 3.545 5.348 0.498 14 0 "[ . 1 . 2]" 1
1889 2 68 ILE MD 2 116 LEU MD1 . . 3.940 3.235 2.623 4.627 0.687 14 1 "[ . 1 +. 2]" 1
1890 2 68 ILE MD 2 116 LEU HG . . 4.040 2.868 2.224 4.355 0.315 14 0 "[ . 1 . 2]" 1
1891 2 68 ILE MD 2 120 HIS HE1 . . 4.740 4.452 3.301 5.205 0.465 20 0 "[ . 1 . 2]" 1
1892 2 68 ILE MD 2 120 HIS HE2 . . 5.380 4.492 3.028 4.787 . 0 0 "[ . 1 . 2]" 1
1893 2 68 ILE MG 2 69 ALA H . . 4.170 3.168 2.700 3.569 . 0 0 "[ . 1 . 2]" 1
1894 2 68 ILE MG 2 69 ALA HA . . 4.560 3.460 3.171 3.892 . 0 0 "[ . 1 . 2]" 1
1895 2 68 ILE MG 2 71 PHE QE . . 3.940 3.259 2.540 3.943 0.003 13 0 "[ . 1 . 2]" 1
1896 2 68 ILE MG 2 72 ALA MB . . 4.500 3.856 2.970 4.683 0.183 10 0 "[ . 1 . 2]" 1
1897 2 69 ALA H 2 69 ALA MB . . 3.290 2.194 2.063 2.250 . 0 0 "[ . 1 . 2]" 1
1898 2 69 ALA H 2 70 GLN H . . 3.290 2.956 2.745 3.082 . 0 0 "[ . 1 . 2]" 1
1899 2 69 ALA H 2 71 PHE H . . 4.460 4.810 4.594 5.294 0.834 20 3 "[ . - 1 . * +]" 1
1900 2 69 ALA H 2 72 ALA H . . 5.340 5.321 4.878 5.678 0.338 10 0 "[ . 1 . 2]" 1
1901 2 69 ALA HA 2 71 PHE H . . 3.860 3.981 3.664 4.439 0.579 20 2 "[ . 1 .- +]" 1
1902 2 69 ALA HA 2 72 ALA H . . 3.880 3.292 2.992 3.502 . 0 0 "[ . 1 . 2]" 1
1903 2 69 ALA HA 2 72 ALA MB . . 4.320 2.334 2.054 2.645 . 0 0 "[ . 1 . 2]" 1
1904 2 69 ALA MB 2 70 GLN H . . 3.470 2.915 2.703 3.061 . 0 0 "[ . 1 . 2]" 1
1905 2 69 ALA MB 2 71 PHE H . . 4.540 4.629 4.449 4.989 0.449 20 0 "[ . 1 . 2]" 1
1906 2 69 ALA MB 2 72 ALA H . . 4.120 4.363 4.137 4.531 0.411 15 0 "[ . 1 . 2]" 1
1907 2 70 GLN H 2 70 GLN HB2 . . 3.450 3.536 3.425 3.642 0.192 7 0 "[ . 1 . 2]" 1
1908 2 70 GLN H 2 70 GLN QE . . 4.490 4.306 3.646 5.015 0.525 7 1 "[ . + 1 . 2]" 1
1909 2 70 GLN H 2 70 GLN HG2 . . 3.290 2.737 2.192 3.235 . 0 0 "[ . 1 . 2]" 1
1910 2 70 GLN H 2 71 PHE H . . 3.330 2.950 2.801 3.106 . 0 0 "[ . 1 . 2]" 1
1911 2 70 GLN H 2 72 ALA H . . 4.140 4.208 4.000 4.466 0.326 10 0 "[ . 1 . 2]" 1
1912 2 70 GLN HA 2 70 GLN HG2 . . 3.900 3.799 3.703 3.911 0.011 10 0 "[ . 1 . 2]" 1
1913 2 70 GLN HA 2 71 PHE HB3 . . 5.500 5.354 5.105 5.609 0.109 16 0 "[ . 1 . 2]" 1
1914 2 70 GLN HB2 2 70 GLN QE . . 4.430 3.997 3.240 4.230 . 0 0 "[ . 1 . 2]" 1
1915 2 70 GLN HB2 2 71 PHE H . . 4.230 4.217 3.864 4.408 0.178 10 0 "[ . 1 . 2]" 1
1916 2 70 GLN QE 2 71 PHE H . . 4.510 4.558 4.050 5.022 0.512 10 1 "[ . + . 2]" 1
1917 2 70 GLN QE 2 71 PHE QE . . 3.990 4.432 3.092 6.303 2.313 7 8 "[ - .*+ *1* *. ** 2]" 1
1918 2 70 GLN QE 2 113 ASN HA . . 5.500 5.136 4.176 6.860 1.360 7 1 "[ . + 1 . 2]" 1
1919 2 70 GLN QE 2 113 ASN QD . . 3.630 2.522 1.984 3.632 0.002 7 0 "[ . 1 . 2]" 1
1920 2 70 GLN HG2 2 71 PHE H . . 3.580 2.707 2.136 3.481 . 0 0 "[ . 1 . 2]" 1
1921 2 70 GLN HG2 2 71 PHE HB3 . . 4.540 3.445 2.820 4.317 . 0 0 "[ . 1 . 2]" 1
1922 2 71 PHE H 2 71 PHE HB3 . . 3.800 2.936 2.632 3.176 . 0 0 "[ . 1 . 2]" 1
1923 2 71 PHE H 2 71 PHE QE . . 4.140 4.312 4.116 4.617 0.477 9 0 "[ . 1 . 2]" 1
1924 2 71 PHE H 2 72 ALA H . . 3.210 2.265 1.818 2.677 . 0 0 "[ . 1 . 2]" 1
1925 2 71 PHE H 2 72 ALA MB . . 3.860 3.862 3.494 4.235 0.375 20 0 "[ . 1 . 2]" 1
1926 2 71 PHE QE 2 101 ILE MG . . 4.670 4.408 2.825 6.199 1.529 16 4 "[ . - 1 * .+ *2]" 1
1927 2 71 PHE QE 2 103 LEU HA . . 3.860 4.249 2.894 6.440 2.580 16 8 "[ * ** * 1 * .+ -*2]" 1
1928 2 71 PHE QE 2 103 LEU QD . . 3.520 3.198 2.236 4.197 0.677 16 2 "[ - . 1 .+ 2]" 1
1929 2 71 PHE QE 2 103 LEU HG . . 3.030 3.292 2.319 4.865 1.835 16 6 "[ * * * 1 - .+ * 2]" 1
1930 2 71 PHE QE 2 104 ASP H . . 4.840 5.102 3.855 6.497 1.657 16 8 "[ * ** *-1 .+ **2]" 1
1931 2 71 PHE QE 2 116 LEU QB . . 5.500 5.772 4.545 6.240 0.740 18 6 "[- * .* * * + 2]" 1
1932 2 71 PHE QE 2 117 LEU QD . . 3.750 2.589 2.177 3.234 . 0 0 "[ . 1 . 2]" 1
1933 2 71 PHE QE 2 117 LEU HG . . 4.540 4.113 3.498 4.760 0.220 18 0 "[ . 1 . 2]" 1
1934 2 72 ALA H 2 72 ALA MB . . 3.440 2.199 2.141 2.231 . 0 0 "[ . 1 . 2]" 1
1935 2 72 ALA HA 2 73 PRO HG2 . . 4.680 4.515 4.361 4.653 . 0 0 "[ . 1 . 2]" 1
1936 2 73 PRO HA 2 77 ALA MB . . 4.580 3.572 2.969 4.376 . 0 0 "[ . 1 . 2]" 1
1937 2 73 PRO QB 2 77 ALA MB . . 4.090 2.207 1.993 2.697 . 0 0 "[ . 1 . 2]" 1
1938 2 73 PRO QB 2 78 PHE H . . 4.120 3.814 3.026 4.698 0.578 17 1 "[ . 1 . + 2]" 1
1939 2 73 PRO QD 2 101 ILE MD . . 4.180 3.331 2.822 4.187 0.007 15 0 "[ . 1 . 2]" 1
1940 2 73 PRO HG2 2 78 PHE HA . . 5.500 4.893 3.998 5.872 0.372 17 0 "[ . 1 . 2]" 1
1941 2 73 PRO HG2 2 101 ILE MD . . 4.220 3.921 3.467 4.781 0.561 15 1 "[ . 1 + 2]" 1
1942 2 74 SER H 2 77 ALA H . . 4.190 3.704 3.135 4.274 0.084 17 0 "[ . 1 . 2]" 1
1943 2 74 SER H 2 77 ALA MB . . 4.630 2.767 2.258 3.778 . 0 0 "[ . 1 . 2]" 1
1944 2 75 ALA H 2 76 SER H . . 5.480 2.888 2.633 3.117 . 0 0 "[ . 1 . 2]" 1
1945 2 75 ALA HA 2 78 PHE H . . 3.750 3.240 2.986 3.571 . 0 0 "[ . 1 . 2]" 1
1946 2 75 ALA HA 2 78 PHE HB3 . . 4.600 2.481 2.144 2.835 . 0 0 "[ . 1 . 2]" 1
1947 2 75 ALA HA 2 79 PHE H . . 4.140 3.962 3.485 4.592 0.452 7 0 "[ . 1 . 2]" 1
1948 2 75 ALA MB 2 76 SER H . . 3.770 2.595 2.224 2.856 . 0 0 "[ . 1 . 2]" 1
1949 2 75 ALA MB 2 76 SER QB . . 4.790 4.464 3.772 4.681 . 0 0 "[ . 1 . 2]" 1
1950 2 75 ALA MB 2 78 PHE H . . 4.680 4.458 4.285 4.711 0.031 11 0 "[ . 1 . 2]" 1
1951 2 75 ALA MB 2 79 PHE QE . . 3.840 3.812 2.969 4.550 0.710 18 3 "[ - . 1 . *+ 2]" 1
1952 2 76 SER H 2 77 ALA H . . 3.970 2.814 2.676 3.010 . 0 0 "[ . 1 . 2]" 1
1953 2 76 SER H 2 78 PHE H . . 4.300 4.096 3.801 4.288 . 0 0 "[ . 1 . 2]" 1
1954 2 76 SER H 2 78 PHE HB3 . . 5.120 5.243 4.919 5.550 0.430 17 0 "[ . 1 . 2]" 1
1955 2 76 SER HA 2 78 PHE H . . 5.070 4.487 4.304 4.779 . 0 0 "[ . 1 . 2]" 1
1956 2 76 SER HA 2 79 PHE H . . 4.410 3.961 3.468 4.240 . 0 0 "[ . 1 . 2]" 1
1957 2 76 SER QB 2 77 ALA MB . . 4.550 3.679 3.433 3.921 . 0 0 "[ . 1 . 2]" 1
1958 2 77 ALA H 2 78 PHE H . . 3.700 2.306 2.130 2.563 . 0 0 "[ . 1 . 2]" 1
1959 2 77 ALA HA 2 80 GLY H . . 4.940 5.685 4.398 7.165 2.225 4 11 "[** +* *-*1 * .* **2]" 1
1960 2 77 ALA HA 2 80 GLY QA . . 4.450 4.517 3.193 5.637 1.187 4 6 "[ * +- * *1 .* 2]" 1
1961 2 77 ALA HA 2 81 MET H . . 4.260 4.434 2.982 5.553 1.293 7 8 "[*- ** + *1 .* *2]" 1
1962 2 77 ALA HA 2 81 MET ME . . 4.620 4.107 2.623 5.600 0.980 20 3 "[ . *1 .- +]" 1
1963 2 77 ALA MB 2 78 PHE H . . 3.650 2.747 2.488 2.908 . 0 0 "[ . 1 . 2]" 1
1964 2 77 ALA MB 2 79 PHE H . . 4.670 4.698 4.451 4.978 0.308 18 0 "[ . 1 . 2]" 1
1965 2 77 ALA MB 2 80 GLY H . . 5.500 6.268 5.129 7.690 2.190 4 12 "[** +*-***1 * .* **2]" 1
1966 2 77 ALA MB 2 81 MET ME . . 3.690 3.190 2.033 4.630 0.940 9 2 "[ . +1 .- 2]" 1
1967 2 78 PHE H 2 78 PHE HB3 . . 3.320 2.565 2.225 2.834 . 0 0 "[ . 1 . 2]" 1
1968 2 78 PHE H 2 79 PHE H . . 3.640 2.696 2.478 2.903 . 0 0 "[ . 1 . 2]" 1
1969 2 78 PHE H 2 79 PHE HA . . 5.500 5.333 5.148 5.467 . 0 0 "[ . 1 . 2]" 1
1970 2 78 PHE H 2 80 GLY H . . 5.500 5.842 4.802 7.144 1.644 4 8 "[** +. * *1 * .- *2]" 1
1971 2 78 PHE H 2 81 MET ME . . 4.870 5.716 4.448 7.274 2.404 9 10 "[* * . *+* * .*-* *]" 1
1972 2 78 PHE HA 2 78 PHE QE . . 5.250 4.543 4.282 4.843 . 0 0 "[ . 1 . 2]" 1
1973 2 78 PHE HA 2 80 GLY H . . 4.640 5.005 3.837 6.753 2.113 4 7 "[** +. * *1 * .- 2]" 1
1974 2 78 PHE HA 2 81 MET ME . . 4.200 4.947 2.615 6.216 2.016 16 12 "[ -* .* **** * .+** *]" 1
1975 2 78 PHE HB3 2 79 PHE H . . 3.470 2.708 2.150 3.120 . 0 0 "[ . 1 . 2]" 1
1976 2 78 PHE QE 2 79 PHE QE . . 3.660 3.429 2.358 4.837 1.177 9 3 "[ . - +* . 2]" 1
1977 2 78 PHE QE 2 84 ILE MD . . 4.640 3.788 2.716 5.083 0.443 20 0 "[ . 1 . 2]" 1
1978 2 78 PHE QE 2 95 LEU QD . . 4.840 2.979 2.232 3.936 . 0 0 "[ . 1 . 2]" 1
1979 2 78 PHE QE 2 97 TYR HB3 . . 4.350 4.030 3.134 4.955 0.605 1 2 "[+ . 1 .- 2]" 1
1980 2 78 PHE QE 2 97 TYR QE . . 4.430 3.881 2.785 4.492 0.062 18 0 "[ . 1 . 2]" 1
1981 2 79 PHE H 2 80 GLY H . . 3.830 3.968 3.158 4.585 0.755 4 3 "[ +. - *1 . 2]" 1
1982 2 79 PHE H 2 81 MET H . . 4.890 5.586 4.502 6.493 1.603 12 15 "[-***.*** * +**** **2]" 1
1983 2 79 PHE HA 2 80 GLY QA . . 4.810 3.976 3.896 4.127 . 0 0 "[ . 1 . 2]" 1
1984 2 79 PHE HA 2 84 ILE MD . . 4.770 2.658 2.087 3.735 . 0 0 "[ . 1 . 2]" 1
1985 2 79 PHE HB3 2 80 GLY H . . 5.200 3.922 2.294 4.415 . 0 0 "[ . 1 . 2]" 1
1986 2 79 PHE QE 2 84 ILE MD . . 4.280 3.679 2.748 4.901 0.621 20 1 "[ . 1 . +]" 1
1987 2 79 PHE QE 2 84 ILE MG . . 3.590 3.258 2.566 4.203 0.613 12 1 "[ . 1 + . 2]" 1
1988 2 79 PHE QE 2 95 LEU QD . . 3.470 2.556 2.074 3.810 0.340 7 0 "[ . 1 . 2]" 1
1989 2 80 GLY H 2 81 MET H . . 3.780 3.340 2.041 4.251 0.471 4 0 "[ . 1 . 2]" 1
1990 2 80 GLY H 2 81 MET HA . . 4.730 4.928 4.347 5.621 0.891 9 4 "[ *. +1 .* -2]" 1
1991 2 80 GLY H 2 84 ILE MG . . 5.230 4.849 3.636 6.106 0.876 17 2 "[ . 1 - + 2]" 1
1992 2 81 MET H 2 81 MET HB2 . . 3.750 3.655 3.499 3.940 0.190 5 0 "[ . 1 . 2]" 1
1993 2 81 MET H 2 81 MET HG2 . . 4.150 2.733 1.989 3.930 . 0 0 "[ . 1 . 2]" 1
1994 2 81 MET H 2 82 SER H . . 3.540 2.807 1.829 3.479 . 0 0 "[ . 1 . 2]" 1
1995 2 81 MET HA 2 81 MET HG2 . . 4.140 3.956 3.588 4.258 0.118 7 0 "[ . 1 . 2]" 1
1996 2 81 MET HA 2 83 ARG H . . 4.370 3.540 3.270 4.025 . 0 0 "[ . 1 . 2]" 1
1997 2 81 MET HB2 2 82 SER H . . 4.710 4.384 4.013 4.605 . 0 0 "[ . 1 . 2]" 1
1998 2 81 MET ME 2 101 ILE HA . . 4.150 4.210 3.307 5.566 1.416 15 4 "[ -. *1 *+ 2]" 1
1999 2 81 MET ME 2 101 ILE MD . . 3.930 2.860 2.035 4.236 0.306 9 0 "[ . 1 . 2]" 1
2000 2 81 MET ME 2 101 ILE QG . . 3.900 2.729 2.051 4.035 0.135 1 0 "[ . 1 . 2]" 1
2001 2 82 SER H 2 83 ARG H . . 4.690 2.896 2.227 3.370 . 0 0 "[ . 1 . 2]" 1
2002 2 82 SER HB2 2 83 ARG H . . 4.710 4.252 3.757 4.686 . 0 0 "[ . 1 . 2]" 1
2003 2 82 SER HB2 2 98 HIS H . . 4.470 4.014 3.044 4.471 0.001 6 0 "[ . 1 . 2]" 1
2004 2 83 ARG H 2 83 ARG QD . . 4.820 4.151 3.764 4.782 . 0 0 "[ . 1 . 2]" 1
2005 2 83 ARG H 2 83 ARG HG3 . . 4.980 4.779 4.197 5.071 0.091 19 0 "[ . 1 . 2]" 1
2006 2 83 ARG H 2 84 ILE H . . 4.750 3.173 2.822 3.815 . 0 0 "[ . 1 . 2]" 1
2007 2 83 ARG H 2 84 ILE MD . . 4.970 4.304 3.636 5.132 0.162 9 0 "[ . 1 . 2]" 1
2008 2 83 ARG H 2 97 TYR HA . . 5.500 5.430 5.241 5.751 0.251 12 0 "[ . 1 . 2]" 1
2009 2 83 ARG H 2 98 HIS H . . 4.660 4.540 4.179 4.952 0.292 4 0 "[ . 1 . 2]" 1
2010 2 83 ARG H 2 99 GLY HA3 . . 5.500 5.408 4.762 6.389 0.889 4 3 "[ +. -1 . * 2]" 1
2011 2 83 ARG HA 2 84 ILE HG12 . . 4.500 4.351 4.000 4.787 0.287 2 0 "[ . 1 . 2]" 1
2012 2 83 ARG HB3 2 98 HIS H . . 3.700 2.758 2.037 4.024 0.324 6 0 "[ . 1 . 2]" 1
2013 2 83 ARG HB3 2 98 HIS HB3 . . 4.670 3.439 2.418 4.846 0.176 7 0 "[ . 1 . 2]" 1
2014 2 83 ARG QD 2 84 ILE H . . 5.200 4.115 3.147 5.412 0.212 20 0 "[ . 1 . 2]" 1
2015 2 84 ILE H 2 84 ILE HB . . 4.070 2.533 2.268 3.297 . 0 0 "[ . 1 . 2]" 1
2016 2 84 ILE H 2 84 ILE MD . . 4.720 3.124 1.775 3.693 . 0 0 "[ . 1 . 2]" 1
2017 2 84 ILE H 2 84 ILE HG12 . . 3.850 2.245 2.020 2.471 . 0 0 "[ . 1 . 2]" 1
2018 2 84 ILE H 2 84 ILE MG . . 4.130 3.752 3.322 3.827 . 0 0 "[ . 1 . 2]" 1
2019 2 84 ILE H 2 85 GLY H . . 4.940 4.543 4.424 4.658 . 0 0 "[ . 1 . 2]" 1
2020 2 84 ILE HA 2 84 ILE MD . . 4.510 2.304 2.120 3.414 . 0 0 "[ . 1 . 2]" 1
2021 2 84 ILE HB 2 85 GLY H . . 4.520 4.123 3.011 4.454 . 0 0 "[ . 1 . 2]" 1
2022 2 84 ILE MD 2 85 GLY H . . 4.500 3.983 3.603 4.996 0.496 20 0 "[ . 1 . 2]" 1
2023 2 84 ILE MD 2 98 HIS H . . 5.190 4.376 3.733 5.761 0.571 20 1 "[ . 1 . +]" 1
2024 2 84 ILE HG12 2 84 ILE MG . . 3.650 3.220 3.175 3.260 . 0 0 "[ . 1 . 2]" 1
2025 2 84 ILE HG12 2 85 GLY H . . 5.390 5.271 5.019 5.443 0.053 12 0 "[ . 1 . 2]" 1
2026 2 84 ILE MG 2 85 GLY H . . 3.890 2.769 2.275 3.245 . 0 0 "[ . 1 . 2]" 1
2027 2 84 ILE MG 2 85 GLY QA . . 4.530 3.500 3.208 4.305 . 0 0 "[ . 1 . 2]" 1
2028 2 84 ILE MG 2 86 MET ME . . 3.730 4.126 2.195 5.124 1.394 7 9 "[ * * + *1 * .* **-]" 1
2029 2 85 GLY H 2 86 MET H . . 4.150 4.228 3.967 4.438 0.288 9 0 "[ . 1 . 2]" 1
2030 2 85 GLY H 2 86 MET HA . . 5.390 4.671 4.481 4.870 . 0 0 "[ . 1 . 2]" 1
2031 2 85 GLY H 2 86 MET ME . . 5.320 5.812 3.431 7.064 1.744 9 10 "[** . * +1 *-.****2]" 1
2032 2 85 GLY H 2 95 LEU QD . . 4.190 2.888 2.148 3.706 . 0 0 "[ . 1 . 2]" 1
2033 2 85 GLY H 2 95 LEU HG . . 4.610 4.440 3.112 5.392 0.782 7 4 "[ . + -* .* 2]" 1
2034 2 85 GLY H 2 96 THR H . . 3.910 2.946 2.666 3.331 . 0 0 "[ . 1 . 2]" 1
2035 2 85 GLY H 2 97 TYR HA . . 5.500 4.340 3.976 4.837 . 0 0 "[ . 1 . 2]" 1
2036 2 85 GLY QA 2 86 MET H . . 3.430 2.263 2.144 2.363 . 0 0 "[ . 1 . 2]" 1
2037 2 85 GLY QA 2 86 MET ME . . 5.280 4.621 3.308 5.974 0.694 17 1 "[ . 1 . + 2]" 1
2038 2 86 MET H 2 86 MET ME . . 3.190 3.973 3.049 5.025 1.835 17 13 "[*- *. * *** ****+ *]" 1
2039 2 86 MET H 2 86 MET QG . . 3.970 3.141 2.681 4.049 0.079 20 0 "[ . 1 . 2]" 1
2040 2 86 MET H 2 87 GLU H . . 4.490 4.345 4.253 4.418 . 0 0 "[ . 1 . 2]" 1
2041 2 86 MET H 2 95 LEU HA . . 4.570 4.804 4.543 5.373 0.803 20 3 "[ . -* . +]" 1
2042 2 86 MET H 2 96 THR H . . 5.060 4.976 4.688 5.177 0.117 1 0 "[ . 1 . 2]" 1
2043 2 86 MET HA 2 86 MET ME . . 4.690 4.951 3.926 5.377 0.687 9 7 "[- *. * +1 * .** 2]" 1
2044 2 86 MET HA 2 86 MET QG . . 3.770 3.424 2.648 3.541 . 0 0 "[ . 1 . 2]" 1
2045 2 86 MET HA 2 87 GLU H . . 3.290 2.355 2.199 2.479 . 0 0 "[ . 1 . 2]" 1
2046 2 86 MET HA 2 87 GLU QG . . 4.960 3.990 3.285 4.954 . 0 0 "[ . 1 . 2]" 1
2047 2 86 MET HA 2 95 LEU HA . . 4.490 2.745 2.173 3.877 . 0 0 "[ . 1 . 2]" 1
2048 2 86 MET HA 2 95 LEU QD . . 4.180 4.065 3.482 5.095 0.915 10 1 "[ . + . 2]" 1
2049 2 86 MET HA 2 96 THR H . . 3.680 3.533 3.012 4.184 0.504 4 1 "[ +. 1 . 2]" 1
2050 2 86 MET HA 2 96 THR MG . . 5.030 3.877 3.112 4.620 . 0 0 "[ . 1 . 2]" 1
2051 2 86 MET QB 2 87 GLU HA . . 4.880 4.476 4.098 4.720 . 0 0 "[ . 1 . 2]" 1
2052 2 86 MET QB 2 93 THR MG . . 3.880 2.504 2.078 3.871 . 0 0 "[ . 1 . 2]" 1
2053 2 86 MET QB 2 95 LEU HA . . 4.270 2.209 1.970 3.281 . 0 0 "[ . 1 . 2]" 1
2054 2 86 MET QB 2 95 LEU QD . . 4.080 2.613 2.052 3.483 . 0 0 "[ . 1 . 2]" 1
2055 2 86 MET ME 2 95 LEU HA . . 5.500 5.365 3.497 5.935 0.435 3 0 "[ . 1 . 2]" 1
2056 2 86 MET ME 2 95 LEU QD . . 3.890 3.926 2.001 5.086 1.196 9 6 "[ * . * +- . **2]" 1
2057 2 86 MET QG 2 87 GLU H . . 4.050 3.422 1.992 3.941 . 0 0 "[ . 1 . 2]" 1
2058 2 86 MET QG 2 87 GLU HA . . 3.990 3.843 3.338 4.177 0.187 9 0 "[ . 1 . 2]" 1
2059 2 86 MET QG 2 93 THR MG . . 3.790 2.591 1.935 3.667 . 0 0 "[ . 1 . 2]" 1
2060 2 86 MET QG 2 95 LEU HA . . 4.770 4.191 3.846 4.899 0.129 11 0 "[ . 1 . 2]" 1
2061 2 86 MET QG 2 95 LEU QD . . 4.140 3.803 3.067 4.562 0.422 9 0 "[ . 1 . 2]" 1
2062 2 87 GLU H 2 87 GLU HB2 . . 3.840 3.820 3.710 4.004 0.164 20 0 "[ . 1 . 2]" 1
2063 2 87 GLU H 2 88 VAL H . . 4.670 4.362 4.182 4.581 . 0 0 "[ . 1 . 2]" 1
2064 2 87 GLU HA 2 87 GLU QG . . 3.810 3.439 3.342 3.535 . 0 0 "[ . 1 . 2]" 1
2065 2 87 GLU HA 2 88 VAL H . . 3.040 2.263 2.134 2.393 . 0 0 "[ . 1 . 2]" 1
2066 2 87 GLU HB2 2 88 VAL H . . 3.380 2.939 2.646 3.399 0.019 19 0 "[ . 1 . 2]" 1
2067 2 87 GLU QG 2 88 VAL H . . 4.210 3.998 3.669 4.376 0.166 2 0 "[ . 1 . 2]" 1
2068 2 87 GLU QG 2 89 THR H . . 4.630 4.492 3.401 5.355 0.725 2 3 "[ + - 1 . *2]" 1
2069 2 87 GLU QG 2 89 THR MG . . 3.870 2.747 2.016 3.946 0.076 19 0 "[ . 1 . 2]" 1
2070 2 87 GLU QG 2 93 THR HA . . 4.380 4.220 3.894 4.693 0.313 16 0 "[ . 1 . 2]" 1
2071 2 88 VAL H 2 88 VAL HB . . 3.030 3.019 2.818 3.255 0.225 14 0 "[ . 1 . 2]" 1
2072 2 88 VAL H 2 88 VAL MG2 . . 3.790 3.825 3.691 3.944 0.154 9 0 "[ . 1 . 2]" 1
2073 2 88 VAL H 2 89 THR H . . 4.480 4.284 3.883 4.556 0.076 5 0 "[ . 1 . 2]" 1
2074 2 88 VAL H 2 89 THR HA . . 5.270 5.024 4.673 5.275 0.005 7 0 "[ . 1 . 2]" 1
2075 2 88 VAL H 2 93 THR HA . . 5.110 4.956 4.697 5.579 0.469 4 0 "[ . 1 . 2]" 1
2076 2 88 VAL H 2 93 THR MG . . 4.480 4.266 3.571 5.318 0.838 13 2 "[ -. 1 + . 2]" 1
2077 2 88 VAL HA 2 88 VAL MG2 . . 3.510 2.396 2.251 2.567 . 0 0 "[ . 1 . 2]" 1
2078 2 88 VAL HA 2 89 THR H . . 3.140 2.190 2.080 2.275 . 0 0 "[ . 1 . 2]" 1
2079 2 88 VAL HA 2 93 THR HA . . 4.130 2.574 2.165 3.598 . 0 0 "[ . 1 . 2]" 1
2080 2 88 VAL HA 2 93 THR MG . . 3.710 2.934 2.246 4.129 0.419 4 0 "[ . 1 . 2]" 1
2081 2 88 VAL HB 2 89 THR H . . 4.400 4.318 3.969 4.545 0.145 6 0 "[ . 1 . 2]" 1
2082 2 88 VAL HB 2 93 THR HA . . 5.070 4.403 3.221 5.451 0.381 4 0 "[ . 1 . 2]" 1
2083 2 88 VAL HB 2 93 THR MG . . 4.090 3.145 2.445 4.811 0.721 4 1 "[ +. 1 . 2]" 1
2084 2 88 VAL MG2 2 89 THR H . . 3.530 3.042 2.474 3.672 0.142 6 0 "[ . 1 . 2]" 1
2085 2 88 VAL MG2 2 93 THR H . . 5.160 4.911 3.868 5.692 0.532 17 2 "[ -. 1 . + 2]" 1
2086 2 88 VAL MG2 2 93 THR HA . . 4.410 4.012 3.117 5.139 0.729 4 1 "[ +. 1 . 2]" 1
2087 2 88 VAL MG2 2 93 THR MG . . 4.720 3.701 3.049 5.107 0.387 4 0 "[ . 1 . 2]" 1
2088 2 89 THR H 2 89 THR MG . . 3.610 3.093 2.544 3.710 0.100 12 0 "[ . 1 . 2]" 1
2089 2 89 THR H 2 92 GLY H . . 3.630 3.472 3.001 4.027 0.397 4 0 "[ . 1 . 2]" 1
2090 2 89 THR H 2 93 THR H . . 4.760 4.777 4.292 5.391 0.631 16 1 "[ . 1 .+ 2]" 1
2091 2 89 THR H 2 93 THR HA . . 3.650 3.156 2.634 3.980 0.330 10 0 "[ . 1 . 2]" 1
2092 2 89 THR H 2 93 THR HB . . 5.500 5.651 5.173 6.549 1.049 16 3 "[ *. - .+ 2]" 1
2093 2 89 THR H 2 94 TRP H . . 4.560 4.680 4.066 5.958 1.398 10 4 "[ -. +* . * 2]" 1
2094 2 89 THR H 2 94 TRP HD1 . . 4.490 4.195 3.132 5.367 0.877 18 2 "[ . - . + 2]" 1
2095 2 89 THR HA 2 89 THR MG . . 3.080 2.348 2.132 2.673 . 0 0 "[ . 1 . 2]" 1
2096 2 89 THR HA 2 90 PRO QD . . 3.370 2.355 2.278 2.578 . 0 0 "[ . 1 . 2]" 1
2097 2 89 THR HA 2 90 PRO QG . . 4.770 4.288 4.199 4.531 . 0 0 "[ . 1 . 2]" 1
2098 2 89 THR HA 2 91 SER H . . 4.630 4.183 3.944 4.758 0.128 12 0 "[ . 1 . 2]" 1
2099 2 89 THR HA 2 92 GLY H . . 4.700 4.753 4.540 5.165 0.465 4 0 "[ . 1 . 2]" 1
2100 2 89 THR HB 2 90 PRO HA . . 4.700 4.974 4.700 5.246 0.546 14 1 "[ . 1 +. 2]" 1
2101 2 89 THR HB 2 90 PRO QD . . 3.370 2.053 1.926 2.231 . 0 0 "[ . 1 . 2]" 1
2102 2 89 THR HB 2 90 PRO QG . . 3.710 3.689 3.420 3.916 0.206 10 0 "[ . 1 . 2]" 1
2103 2 89 THR MG 2 90 PRO QD . . 3.370 2.928 2.162 3.602 0.232 14 0 "[ . 1 . 2]" 1
2104 2 89 THR MG 2 90 PRO QG . . 4.290 4.505 3.770 5.080 0.790 10 7 "[ - * *+ *. ** 2]" 1
2105 2 89 THR MG 2 91 SER H . . 4.810 4.218 4.016 4.670 . 0 0 "[ . 1 . 2]" 1
2106 2 89 THR MG 2 92 GLY H . . 4.650 4.809 4.161 5.386 0.736 4 3 "[ +.- 1* . 2]" 1
2107 2 89 THR MG 2 94 TRP HD1 . . 4.000 3.712 2.281 4.943 0.943 10 2 "[ . - + . 2]" 1
2108 2 89 THR MG 2 94 TRP HE1 . . 5.120 4.408 2.727 6.118 0.998 8 2 "[ . + - . 2]" 1
2109 2 90 PRO HA 2 92 GLY H . . 4.600 3.803 3.308 4.221 . 0 0 "[ . 1 . 2]" 1
2110 2 90 PRO HB2 2 91 SER HA . . 4.470 4.481 4.203 4.742 0.272 18 0 "[ . 1 . 2]" 1
2111 2 90 PRO QD 2 91 SER H . . 4.210 2.883 2.481 3.043 . 0 0 "[ . 1 . 2]" 1
2112 2 91 SER H 2 92 GLY H . . 3.700 2.502 2.056 2.932 . 0 0 "[ . 1 . 2]" 1
2113 2 91 SER HA 2 91 SER HB2 . . 2.820 2.572 2.331 3.046 0.226 9 0 "[ . 1 . 2]" 1
2114 2 92 GLY H 2 93 THR H . . 4.300 4.371 4.266 4.483 0.183 2 0 "[ . 1 . 2]" 1
2115 2 92 GLY H 2 93 THR HA . . 4.780 4.840 4.593 5.412 0.632 10 2 "[ . +- . 2]" 1
2116 2 92 GLY H 2 94 TRP HD1 . . 4.780 4.926 3.895 5.975 1.195 11 5 "[ *. -+* . * 2]" 1
2117 2 92 GLY H 2 94 TRP HE1 . . 4.270 4.271 3.344 5.900 1.630 11 3 "[ -*. 1+ . 2]" 1
2118 2 92 GLY HA3 2 93 THR H . . 3.300 2.581 2.286 2.797 . 0 0 "[ . 1 . 2]" 1
2119 2 93 THR H 2 93 THR HB . . 3.340 2.534 2.151 2.909 . 0 0 "[ . 1 . 2]" 1
2120 2 93 THR H 2 93 THR MG . . 3.830 3.811 3.539 3.975 0.145 2 0 "[ . 1 . 2]" 1
2121 2 93 THR H 2 94 TRP H . . 4.530 4.425 3.791 4.676 0.146 4 0 "[ . 1 . 2]" 1
2122 2 93 THR HA 2 93 THR MG . . 3.510 2.426 2.324 2.796 . 0 0 "[ . 1 . 2]" 1
2123 2 93 THR HA 2 94 TRP HD1 . . 4.350 3.353 2.723 4.644 0.294 18 0 "[ . 1 . 2]" 1
2124 2 93 THR MG 2 94 TRP H . . 3.790 2.749 2.255 3.229 . 0 0 "[ . 1 . 2]" 1
2125 2 93 THR MG 2 94 TRP HA . . 4.560 4.125 3.578 4.478 . 0 0 "[ . 1 . 2]" 1
2126 2 93 THR MG 2 95 LEU QD . . 4.960 4.383 3.662 4.967 0.007 9 0 "[ . 1 . 2]" 1
2127 2 94 TRP H 2 94 TRP HD1 . . 3.930 2.803 2.250 3.395 . 0 0 "[ . 1 . 2]" 1
2128 2 94 TRP HA 2 94 TRP HD1 . . 4.790 4.024 3.686 4.667 . 0 0 "[ . 1 . 2]" 1
2129 2 94 TRP HA 2 94 TRP HE3 . . 4.680 3.610 2.427 4.474 . 0 0 "[ . 1 . 2]" 1
2130 2 94 TRP HE3 2 95 LEU H . . 4.340 4.713 3.327 5.721 1.381 10 8 "[** .* *-+ . * *2]" 1
2131 2 95 LEU H 2 95 LEU QB . . 3.470 2.242 2.015 2.553 . 0 0 "[ . 1 . 2]" 1
2132 2 95 LEU H 2 96 THR H . . 4.530 4.488 4.196 4.659 0.129 1 0 "[ . 1 . 2]" 1
2133 2 95 LEU HA 2 95 LEU QD . . 3.970 2.491 2.161 3.199 . 0 0 "[ . 1 . 2]" 1
2134 2 95 LEU HA 2 95 LEU HG . . 4.220 3.177 2.604 3.523 . 0 0 "[ . 1 . 2]" 1
2135 2 95 LEU HA 2 96 THR H . . 3.370 2.254 2.161 2.364 . 0 0 "[ . 1 . 2]" 1
2136 2 95 LEU QB 2 96 THR H . . 4.360 3.766 3.596 4.006 . 0 0 "[ . 1 . 2]" 1
2137 2 95 LEU QD 2 96 THR H . . 3.830 2.504 1.951 3.332 . 0 0 "[ . 1 . 2]" 1
2138 2 95 LEU HG 2 96 THR H . . 3.530 3.115 2.355 3.997 0.467 10 0 "[ . 1 . 2]" 1
2139 2 96 THR H 2 96 THR MG . . 4.030 2.814 2.010 3.491 . 0 0 "[ . 1 . 2]" 1
2140 2 96 THR H 2 97 TYR H . . 4.560 4.474 4.320 4.597 0.037 10 0 "[ . 1 . 2]" 1
2141 2 96 THR HB 2 97 TYR H . . 3.660 2.886 2.264 4.020 0.360 9 0 "[ . 1 . 2]" 1
2142 2 96 THR MG 2 97 TYR H . . 4.050 3.724 3.293 4.067 0.017 10 0 "[ . 1 . 2]" 1
2143 2 97 TYR H 2 98 HIS HA . . 5.500 4.869 4.678 5.045 . 0 0 "[ . 1 . 2]" 1
2144 2 97 TYR HA 2 98 HIS HB3 . . 5.500 5.143 4.326 5.695 0.195 8 0 "[ . 1 . 2]" 1
2145 2 97 TYR HB3 2 98 HIS H . . 4.110 3.877 3.622 4.172 0.062 13 0 "[ . 1 . 2]" 1
2146 2 98 HIS H 2 98 HIS HB3 . . 3.960 3.492 2.858 3.955 . 0 0 "[ . 1 . 2]" 1
2147 2 98 HIS H 2 99 GLY H . . 4.460 4.232 3.814 4.414 . 0 0 "[ . 1 . 2]" 1
2148 2 98 HIS HA 2 99 GLY H . . 3.280 2.399 2.279 2.679 . 0 0 "[ . 1 . 2]" 1
2149 2 98 HIS HB3 2 98 HIS HD2 . . 3.960 3.126 2.579 3.953 . 0 0 "[ . 1 . 2]" 1
2150 2 98 HIS HB3 2 99 GLY H . . 3.730 3.571 2.530 4.509 0.779 14 3 "[ .- 1 +. * 2]" 1
2151 2 98 HIS HB3 2 99 GLY HA3 . . 5.140 5.076 4.517 5.494 0.354 18 0 "[ . 1 . 2]" 1
2152 2 98 HIS HD2 2 99 GLY H . . 4.570 4.105 2.035 5.410 0.840 6 6 "[* *.+* - * . 2]" 1
2153 2 99 GLY H 2 100 ALA H . . 4.600 4.404 4.294 4.465 . 0 0 "[ . 1 . 2]" 1
2154 2 99 GLY HA3 2 100 ALA H . . 3.520 2.467 2.352 2.704 . 0 0 "[ . 1 . 2]" 1
2155 2 100 ALA H 2 101 ILE H . . 4.580 4.363 4.216 4.482 . 0 0 "[ . 1 . 2]" 1
2156 2 100 ALA MB 2 101 ILE H . . 3.570 2.681 2.315 2.980 . 0 0 "[ . 1 . 2]" 1
2157 2 101 ILE H 2 101 ILE HB . . 4.150 2.707 2.508 2.945 . 0 0 "[ . 1 . 2]" 1
2158 2 101 ILE H 2 101 ILE MD . . 4.340 4.306 3.983 4.551 0.211 10 0 "[ . 1 . 2]" 1
2159 2 101 ILE H 2 101 ILE QG . . 3.810 3.363 2.949 3.791 . 0 0 "[ . 1 . 2]" 1
2160 2 101 ILE H 2 101 ILE MG . . 4.000 3.808 3.487 3.999 . 0 0 "[ . 1 . 2]" 1
2161 2 101 ILE H 2 102 LYS H . . 4.500 4.269 3.971 4.444 . 0 0 "[ . 1 . 2]" 1
2162 2 101 ILE HA 2 101 ILE QG . . 3.940 2.419 2.226 3.118 . 0 0 "[ . 1 . 2]" 1
2163 2 101 ILE HA 2 101 ILE MG . . 3.410 2.628 2.399 2.904 . 0 0 "[ . 1 . 2]" 1
2164 2 101 ILE HA 2 102 LYS H . . 3.350 2.261 2.103 2.341 . 0 0 "[ . 1 . 2]" 1
2165 2 101 ILE HA 2 102 LYS HD3 . . 4.230 3.607 3.001 5.100 0.870 17 1 "[ . 1 . + 2]" 1
2166 2 101 ILE HA 2 102 LYS QE . . 4.270 3.823 2.938 4.988 0.718 4 2 "[ +. 1 - 2]" 1
2167 2 101 ILE HB 2 101 ILE MD . . 3.720 2.418 2.285 3.272 . 0 0 "[ . 1 . 2]" 1
2168 2 101 ILE HB 2 102 LYS H . . 4.380 4.202 3.796 4.480 0.100 5 0 "[ . 1 . 2]" 1
2169 2 101 ILE MG 2 102 LYS H . . 3.670 2.570 2.204 3.157 . 0 0 "[ . 1 . 2]" 1
2170 2 101 ILE MG 2 102 LYS HD3 . . 4.250 4.657 4.256 5.197 0.947 14 5 "[ . * * +.-* 2]" 1
2171 2 101 ILE MG 2 102 LYS QE . . 4.360 4.214 2.443 5.250 0.890 4 7 "[ *+. * - ** * 2]" 1
2172 2 101 ILE MG 2 103 LEU H . . 4.770 4.377 3.908 5.005 0.235 20 0 "[ . 1 . 2]" 1
2173 2 102 LYS H 2 102 LYS HB3 . . 3.760 3.411 2.566 3.769 0.009 13 0 "[ . 1 . 2]" 1
2174 2 102 LYS H 2 102 LYS HD3 . . 3.610 2.714 1.820 3.679 0.069 14 0 "[ . 1 . 2]" 1
2175 2 102 LYS H 2 102 LYS HG3 . . 4.370 3.975 3.082 4.383 0.013 14 0 "[ . 1 . 2]" 1
2176 2 102 LYS H 2 103 LEU H . . 4.760 4.526 4.333 4.715 . 0 0 "[ . 1 . 2]" 1
2177 2 102 LYS HA 2 102 LYS HD3 . . 3.870 3.355 2.644 4.639 0.769 17 1 "[ . 1 . + 2]" 1
2178 2 102 LYS HA 2 102 LYS QE . . 4.800 4.186 3.744 4.880 0.080 20 0 "[ . 1 . 2]" 1
2179 2 102 LYS HA 2 102 LYS HG3 . . 4.200 2.836 2.200 4.282 0.082 19 0 "[ . 1 . 2]" 1
2180 2 102 LYS HA 2 103 LEU QD . . 4.210 3.357 2.836 3.830 . 0 0 "[ . 1 . 2]" 1
2181 2 102 LYS HB3 2 102 LYS HD3 . . 3.760 3.491 2.312 3.943 0.183 12 0 "[ . 1 . 2]" 1
2182 2 102 LYS HB3 2 102 LYS QE . . 3.760 3.485 3.129 3.998 0.238 20 0 "[ . 1 . 2]" 1
2183 2 102 LYS HB3 2 103 LEU H . . 4.090 3.327 2.700 4.196 0.106 17 0 "[ . 1 . 2]" 1
2184 2 102 LYS QE 2 102 LYS HG3 . . 3.910 3.254 2.734 3.351 . 0 0 "[ . 1 . 2]" 1
2185 2 102 LYS HG3 2 103 LEU H . . 4.450 4.194 2.879 5.382 0.932 9 3 "[ * +1 . -]" 1
2186 2 103 LEU H 2 103 LEU QB . . 3.730 2.220 2.084 2.339 . 0 0 "[ . 1 . 2]" 1
2187 2 103 LEU H 2 103 LEU QD . . 4.190 2.405 1.926 2.889 . 0 0 "[ . 1 . 2]" 1
2188 2 103 LEU H 2 104 ASP H . . 4.640 4.633 4.501 4.720 0.080 11 0 "[ . 1 . 2]" 1
2189 2 103 LEU H 2 110 PHE QE . . 4.730 4.447 3.810 5.093 0.363 5 0 "[ . 1 . 2]" 1
2190 2 103 LEU HA 2 103 LEU QD . . 3.510 2.563 2.176 3.026 . 0 0 "[ . 1 . 2]" 1
2191 2 103 LEU HA 2 103 LEU HG . . 3.450 2.357 2.190 2.473 . 0 0 "[ . 1 . 2]" 1
2192 2 103 LEU HA 2 104 ASP H . . 3.290 2.441 2.247 2.614 . 0 0 "[ . 1 . 2]" 1
2193 2 103 LEU QB 2 104 ASP H . . 3.330 2.422 1.951 2.748 . 0 0 "[ . 1 . 2]" 1
2194 2 103 LEU QB 2 110 PHE QE . . 2.660 2.219 1.952 2.456 . 0 0 "[ . 1 . 2]" 1
2195 2 103 LEU QD 2 104 ASP H . . 4.640 3.650 3.371 3.961 . 0 0 "[ . 1 . 2]" 1
2196 2 103 LEU QD 2 110 PHE QE . . 4.240 2.454 2.097 3.539 . 0 0 "[ . 1 . 2]" 1
2197 2 103 LEU QD 2 114 VAL HA . . 4.970 3.233 2.993 3.536 . 0 0 "[ . 1 . 2]" 1
2198 2 103 LEU QD 2 114 VAL MG2 . . 4.940 2.192 1.924 4.063 . 0 0 "[ . 1 . 2]" 1
2199 2 103 LEU HG 2 104 ASP H . . 3.740 3.394 2.588 4.094 0.354 12 0 "[ . 1 . 2]" 1
2200 2 103 LEU HG 2 110 PHE QE . . 4.640 4.470 4.070 4.856 0.216 15 0 "[ . 1 . 2]" 1
2201 2 103 LEU HG 2 114 VAL HA . . 5.500 6.056 5.624 6.500 1.000 12 11 "[ *** *** +* .* -*2]" 1
2202 2 104 ASP H 2 104 ASP HB2 . . 3.780 2.943 2.040 3.768 . 0 0 "[ . 1 . 2]" 1
2203 2 104 ASP H 2 105 ASP H . . 4.330 3.712 2.668 4.338 0.008 7 0 "[ . 1 . 2]" 1
2204 2 104 ASP H 2 106 LYS H . . 5.500 5.312 5.080 6.106 0.606 5 1 "[ + 1 . 2]" 1
2205 2 104 ASP H 2 110 PHE QE . . 4.800 4.765 3.722 5.423 0.623 18 2 "[ . 1 .- + 2]" 1
2206 2 104 ASP HA 2 105 ASP H . . 3.090 2.411 1.987 3.582 0.492 10 0 "[ . 1 . 2]" 1
2207 2 104 ASP HA 2 106 LYS H . . 3.770 3.610 3.082 5.484 1.714 5 2 "[ + - . 2]" 1
2208 2 105 ASP H 2 105 ASP HB2 . . 3.790 3.436 2.883 3.637 . 0 0 "[ . 1 . 2]" 1
2209 2 105 ASP H 2 106 LYS H . . 3.420 2.999 2.432 3.501 0.081 3 0 "[ . 1 . 2]" 1
2210 2 105 ASP H 2 106 LYS HA . . 5.000 5.305 4.566 5.918 0.918 3 4 "[*-+ * 1 . 2]" 1
2211 2 105 ASP H 2 106 LYS QD . . 4.370 3.521 2.698 4.983 0.613 10 1 "[ . + . 2]" 1
2212 2 105 ASP H 2 106 LYS QG . . 4.730 4.466 2.918 5.809 1.079 19 3 "[ * . 1 . - +2]" 1
2213 2 105 ASP H 2 107 ASP H . . 5.060 4.917 4.332 5.322 0.262 16 0 "[ . 1 . 2]" 1
2214 2 105 ASP H 2 110 PHE QE . . 5.350 4.546 3.581 5.316 . 0 0 "[ . 1 . 2]" 1
2215 2 105 ASP HA 2 106 LYS QD . . 4.780 4.688 4.280 5.645 0.865 10 1 "[ . + . 2]" 1
2216 2 105 ASP HA 2 107 ASP H . . 3.720 3.573 3.265 4.367 0.647 18 2 "[ . 1 - + 2]" 1
2217 2 105 ASP HA 2 110 PHE HA . . 4.870 4.616 4.123 5.474 0.604 10 1 "[ . + . 2]" 1
2218 2 105 ASP HA 2 110 PHE QB . . 3.850 2.503 2.156 3.359 . 0 0 "[ . 1 . 2]" 1
2219 2 105 ASP HA 2 110 PHE QE . . 4.050 3.796 3.235 4.194 0.144 4 0 "[ . 1 . 2]" 1
2220 2 105 ASP HB2 2 106 LYS H . . 4.580 4.449 4.127 4.667 0.087 10 0 "[ . 1 . 2]" 1
2221 2 105 ASP HB2 2 110 PHE QB . . 5.360 4.309 3.768 5.347 . 0 0 "[ . 1 . 2]" 1
2222 2 105 ASP HB2 2 110 PHE QE . . 3.670 3.356 2.734 4.089 0.419 18 0 "[ . 1 . 2]" 1
2223 2 106 LYS H 2 106 LYS HB3 . . 3.950 3.672 3.410 3.883 . 0 0 "[ . 1 . 2]" 1
2224 2 106 LYS H 2 106 LYS QD . . 3.730 2.531 1.713 3.473 . 0 0 "[ . 1 . 2]" 1
2225 2 106 LYS H 2 106 LYS QG . . 3.430 3.003 2.057 3.737 0.307 9 0 "[ . 1 . 2]" 1
2226 2 106 LYS H 2 107 ASP H . . 3.030 2.514 1.877 3.188 0.158 11 0 "[ . 1 . 2]" 1
2227 2 106 LYS HA 2 106 LYS HB3 . . 2.980 2.424 2.315 2.674 . 0 0 "[ . 1 . 2]" 1
2228 2 106 LYS HA 2 106 LYS QD . . 4.050 3.310 2.145 4.081 0.031 10 0 "[ . 1 . 2]" 1
2229 2 106 LYS HA 2 106 LYS QG . . 3.530 2.696 2.302 3.522 . 0 0 "[ . 1 . 2]" 1
2230 2 106 LYS HA 2 107 ASP H . . 3.370 3.323 2.947 3.598 0.228 18 0 "[ . 1 . 2]" 1
2231 2 106 LYS QD 2 107 ASP H . . 4.530 4.370 2.626 4.954 0.424 3 0 "[ . 1 . 2]" 1
2232 2 107 ASP H 2 107 ASP HB2 . . 3.070 2.501 2.129 2.686 . 0 0 "[ . 1 . 2]" 1
2233 2 107 ASP H 2 109 GLN H . . 4.740 5.041 4.601 5.600 0.860 15 5 "[-** . 1 + * 2]" 1
2234 2 107 ASP H 2 110 PHE H . . 4.110 4.138 3.742 4.993 0.883 15 2 "[ . 1 + - 2]" 1
2235 2 107 ASP H 2 110 PHE QB . . 3.960 3.120 2.694 3.969 0.009 18 0 "[ . 1 . 2]" 1
2236 2 107 ASP HA 2 108 PRO HD2 . . 3.410 2.477 2.253 2.684 . 0 0 "[ . 1 . 2]" 1
2237 2 107 ASP HB2 2 108 PRO HA . . 5.280 5.487 5.265 5.749 0.469 10 0 "[ . 1 . 2]" 1
2238 2 107 ASP HB2 2 108 PRO HD2 . . 3.720 3.918 3.717 4.197 0.477 15 0 "[ . 1 . 2]" 1
2239 2 107 ASP HB2 2 108 PRO HG2 . . 5.220 5.602 5.133 5.988 0.768 15 6 "[ *- . * 1* + * 2]" 1
2240 2 107 ASP HB2 2 109 GLN H . . 4.020 3.718 3.300 4.379 0.359 3 0 "[ . 1 . 2]" 1
2241 2 107 ASP HB2 2 110 PHE H . . 3.980 3.624 3.193 4.243 0.263 3 0 "[ . 1 . 2]" 1
2242 2 108 PRO HD2 2 109 GLN H . . 3.640 2.761 2.501 3.218 . 0 0 "[ . 1 . 2]" 1
2243 2 108 PRO HD2 2 109 GLN HG2 . . 4.210 3.799 3.017 4.837 0.627 19 2 "[ - . 1 . +2]" 1
2244 2 108 PRO HD2 2 110 PHE H . . 4.850 4.843 4.563 5.205 0.355 19 0 "[ . 1 . 2]" 1
2245 2 108 PRO HG2 2 109 GLN HG2 . . 3.780 2.776 2.437 3.437 . 0 0 "[ . 1 . 2]" 1
2246 2 109 GLN H 2 109 GLN HB2 . . 2.920 2.422 2.240 2.661 . 0 0 "[ . 1 . 2]" 1
2247 2 109 GLN H 2 109 GLN QE . . 4.550 3.791 2.905 4.491 . 0 0 "[ . 1 . 2]" 1
2248 2 109 GLN H 2 109 GLN HG2 . . 3.490 2.395 2.079 2.833 . 0 0 "[ . 1 . 2]" 1
2249 2 109 GLN H 2 110 PHE H . . 3.400 2.721 2.319 2.849 . 0 0 "[ . 1 . 2]" 1
2250 2 109 GLN H 2 110 PHE QB . . 4.710 4.367 3.946 4.547 . 0 0 "[ . 1 . 2]" 1
2251 2 109 GLN H 2 111 LYS H . . 4.750 4.988 4.654 5.458 0.708 2 3 "[ +- . 1 * 2]" 1
2252 2 109 GLN H 2 113 ASN QD . . 5.140 4.954 4.455 6.948 1.808 7 2 "[ . + 1 - . 2]" 1
2253 2 109 GLN HA 2 109 GLN HG2 . . 3.320 3.084 2.718 3.408 0.088 6 0 "[ . 1 . 2]" 1
2254 2 109 GLN HA 2 110 PHE H . . 3.520 3.406 3.251 3.516 . 0 0 "[ . 1 . 2]" 1
2255 2 109 GLN HA 2 111 LYS H . . 4.160 4.002 3.691 4.247 0.087 2 0 "[ . 1 . 2]" 1
2256 2 109 GLN HA 2 112 ASP QB . . 3.690 3.065 2.226 3.678 . 0 0 "[ . 1 . 2]" 1
2257 2 109 GLN HB2 2 109 GLN HG2 . . 2.710 2.509 2.402 2.689 . 0 0 "[ . 1 . 2]" 1
2258 2 109 GLN HB2 2 110 PHE H . . 3.850 3.477 3.069 3.938 0.088 3 0 "[ . 1 . 2]" 1
2259 2 109 GLN HB2 2 112 ASP QB . . 4.960 4.933 4.263 5.706 0.746 7 3 "[ -. + 1 . * 2]" 1
2260 2 109 GLN HB2 2 113 ASN H . . 5.460 5.191 4.830 5.550 0.090 4 0 "[ . 1 . 2]" 1
2261 2 109 GLN HB2 2 113 ASN QD . . 4.430 3.227 2.627 5.297 0.867 7 1 "[ . + 1 . 2]" 1
2262 2 109 GLN HE21 2 109 GLN HG2 . . 3.580 2.353 2.241 2.687 . 0 0 "[ . 1 . 2]" 1
2263 2 109 GLN HE22 2 109 GLN HG2 . . 3.580 3.587 3.536 3.719 0.139 15 0 "[ . 1 . 2]" 1
2264 2 109 GLN HG2 2 110 PHE H . . 4.730 4.758 4.376 5.082 0.352 3 0 "[ . 1 . 2]" 1
2265 2 110 PHE H 2 110 PHE QB . . 3.000 2.135 2.065 2.206 . 0 0 "[ . 1 . 2]" 1
2266 2 110 PHE H 2 111 LYS H . . 3.360 2.924 2.662 3.119 . 0 0 "[ . 1 . 2]" 1
2267 2 110 PHE H 2 111 LYS HA . . 5.440 5.500 5.293 5.630 0.190 2 0 "[ . 1 . 2]" 1
2268 2 110 PHE H 2 111 LYS HG3 . . 4.710 4.753 4.162 5.603 0.893 18 4 "[ -*.* 1 . + 2]" 1
2269 2 110 PHE H 2 113 ASN H . . 4.930 4.762 4.663 4.910 . 0 0 "[ . 1 . 2]" 1
2270 2 110 PHE H 2 113 ASN QD . . 4.440 4.267 3.892 5.707 1.267 7 2 "[ . + 1 - . 2]" 1
2271 2 110 PHE HA 2 113 ASN H . . 3.820 3.505 3.253 3.759 . 0 0 "[ . 1 . 2]" 1
2272 2 110 PHE HA 2 113 ASN HB2 . . 3.670 2.495 2.235 2.832 . 0 0 "[ . 1 . 2]" 1
2273 2 110 PHE HA 2 113 ASN QD . . 4.240 3.122 2.312 4.084 . 0 0 "[ . 1 . 2]" 1
2274 2 110 PHE HA 2 114 VAL MG2 . . 4.410 4.005 3.778 4.732 0.322 6 0 "[ . 1 . 2]" 1
2275 2 110 PHE QB 2 111 LYS H . . 2.970 2.617 2.403 2.807 . 0 0 "[ . 1 . 2]" 1
2276 2 110 PHE QB 2 111 LYS HG3 . . 4.280 3.797 3.267 5.210 0.930 18 3 "[ *.- 1 . + 2]" 1
2277 2 110 PHE QE 2 111 LYS HA . . 5.140 4.774 4.190 5.504 0.364 8 0 "[ . 1 . 2]" 1
2278 2 110 PHE QE 2 114 VAL H . . 5.350 5.156 4.494 5.635 0.285 20 0 "[ . 1 . 2]" 1
2279 2 110 PHE QE 2 114 VAL MG2 . . 3.310 2.658 2.244 3.797 0.487 6 0 "[ . 1 . 2]" 1
2280 2 111 LYS H 2 111 LYS HB3 . . 3.720 3.614 3.575 3.674 . 0 0 "[ . 1 . 2]" 1
2281 2 111 LYS H 2 111 LYS QE . . 4.040 3.822 3.190 4.926 0.886 10 3 "[ . -+ . *2]" 1
2282 2 111 LYS H 2 111 LYS HG3 . . 3.070 2.345 1.996 3.326 0.256 18 0 "[ . 1 . 2]" 1
2283 2 111 LYS H 2 112 ASP H . . 3.320 2.858 2.687 3.024 . 0 0 "[ . 1 . 2]" 1
2284 2 111 LYS H 2 113 ASN H . . 4.070 4.073 3.923 4.236 0.166 11 0 "[ . 1 . 2]" 1
2285 2 111 LYS H 2 114 VAL H . . 5.250 4.887 4.748 5.095 . 0 0 "[ . 1 . 2]" 1
2286 2 111 LYS H 2 114 VAL MG2 . . 5.110 4.823 4.226 5.015 . 0 0 "[ . 1 . 2]" 1
2287 2 111 LYS HA 2 111 LYS HB3 . . 2.990 2.476 2.344 2.594 . 0 0 "[ . 1 . 2]" 1
2288 2 111 LYS HA 2 111 LYS HG3 . . 3.600 3.267 2.720 3.919 0.319 4 0 "[ . 1 . 2]" 1
2289 2 111 LYS HA 2 113 ASN H . . 4.380 4.380 4.226 4.561 0.181 1 0 "[ . 1 . 2]" 1
2290 2 111 LYS HA 2 113 ASN HB2 . . 5.170 5.287 5.037 5.732 0.562 7 1 "[ . + 1 . 2]" 1
2291 2 111 LYS HA 2 114 VAL H . . 3.980 3.656 3.339 4.006 0.026 6 0 "[ . 1 . 2]" 1
2292 2 111 LYS HA 2 114 VAL MG2 . . 4.080 3.399 2.452 3.761 . 0 0 "[ . 1 . 2]" 1
2293 2 111 LYS HB3 2 111 LYS QE . . 3.930 3.015 2.045 4.132 0.202 8 0 "[ . 1 . 2]" 1
2294 2 111 LYS HB3 2 112 ASP H . . 3.820 3.564 3.326 3.900 0.080 3 0 "[ . 1 . 2]" 1
2295 2 112 ASP H 2 112 ASP QB . . 2.980 2.221 2.055 2.565 . 0 0 "[ . 1 . 2]" 1
2296 2 112 ASP H 2 113 ASN H . . 3.450 2.629 2.453 2.837 . 0 0 "[ . 1 . 2]" 1
2297 2 112 ASP HA 2 115 ILE H . . 3.840 3.442 3.151 3.650 . 0 0 "[ . 1 . 2]" 1
2298 2 112 ASP HA 2 115 ILE HB . . 3.810 2.732 2.248 3.239 . 0 0 "[ . 1 . 2]" 1
2299 2 112 ASP HA 2 115 ILE MD . . 3.520 2.568 2.100 3.679 0.159 16 0 "[ . 1 . 2]" 1
2300 2 112 ASP HA 2 115 ILE QG . . 4.550 3.768 2.884 4.549 . 0 0 "[ . 1 . 2]" 1
2301 2 112 ASP HA 2 115 ILE MG . . 4.460 4.061 3.514 4.457 . 0 0 "[ . 1 . 2]" 1
2302 2 112 ASP QB 2 113 ASN H . . 3.260 2.815 2.585 3.034 . 0 0 "[ . 1 . 2]" 1
2303 2 112 ASP QB 2 115 ILE MD . . 4.980 4.342 3.648 5.258 0.278 16 0 "[ . 1 . 2]" 1
2304 2 113 ASN H 2 113 ASN HB2 . . 3.570 2.408 2.155 2.626 . 0 0 "[ . 1 . 2]" 1
2305 2 113 ASN H 2 113 ASN QD . . 3.610 2.869 2.079 4.755 1.145 7 1 "[ . + 1 . 2]" 1
2306 2 113 ASN H 2 114 VAL H . . 3.600 2.768 2.626 2.999 . 0 0 "[ . 1 . 2]" 1
2307 2 113 ASN H 2 114 VAL MG2 . . 4.370 4.361 4.241 4.523 0.153 9 0 "[ . 1 . 2]" 1
2308 2 113 ASN H 2 116 LEU H . . 4.950 4.700 4.496 4.905 . 0 0 "[ . 1 . 2]" 1
2309 2 113 ASN H 2 116 LEU QB . . 5.500 4.662 4.378 5.073 . 0 0 "[ . 1 . 2]" 1
2310 2 113 ASN HA 2 113 ASN QD . . 4.520 3.438 2.209 4.199 . 0 0 "[ . 1 . 2]" 1
2311 2 113 ASN HA 2 114 VAL HA . . 5.010 4.802 4.669 4.922 . 0 0 "[ . 1 . 2]" 1
2312 2 113 ASN HA 2 116 LEU H . . 4.010 3.465 3.101 3.858 . 0 0 "[ . 1 . 2]" 1
2313 2 113 ASN HA 2 116 LEU QB . . 4.330 2.525 2.231 2.921 . 0 0 "[ . 1 . 2]" 1
2314 2 113 ASN HA 2 116 LEU HG . . 5.430 4.804 4.308 5.344 . 0 0 "[ . 1 . 2]" 1
2315 2 113 ASN HA 2 117 LEU QD . . 4.260 4.134 3.739 4.841 0.581 4 1 "[ +. 1 . 2]" 1
2316 2 113 ASN HB2 2 114 VAL H . . 3.830 2.766 2.431 3.593 . 0 0 "[ . 1 . 2]" 1
2317 2 113 ASN QD 2 114 VAL H . . 5.340 4.605 4.204 5.123 . 0 0 "[ . 1 . 2]" 1
2318 2 114 VAL H 2 114 VAL HB . . 3.420 2.468 2.120 3.676 0.256 6 0 "[ . 1 . 2]" 1
2319 2 114 VAL H 2 114 VAL MG2 . . 3.670 2.242 2.070 2.427 . 0 0 "[ . 1 . 2]" 1
2320 2 114 VAL H 2 115 ILE H . . 3.770 2.798 2.639 2.949 . 0 0 "[ . 1 . 2]" 1
2321 2 114 VAL H 2 115 ILE QG . . 5.340 4.556 4.080 5.814 0.474 20 0 "[ . 1 . 2]" 1
2322 2 114 VAL H 2 117 LEU QD . . 4.570 4.189 3.589 4.749 0.179 18 0 "[ . 1 . 2]" 1
2323 2 114 VAL HA 2 114 VAL MG2 . . 3.550 2.383 2.223 3.266 . 0 0 "[ . 1 . 2]" 1
2324 2 114 VAL HA 2 116 LEU H . . 4.540 4.562 4.259 4.857 0.317 20 0 "[ . 1 . 2]" 1
2325 2 114 VAL HA 2 116 LEU QB . . 5.360 5.081 4.760 5.423 0.063 11 0 "[ . 1 . 2]" 1
2326 2 114 VAL HA 2 117 LEU H . . 4.360 3.528 3.281 3.991 . 0 0 "[ . 1 . 2]" 1
2327 2 114 VAL HA 2 117 LEU QD . . 3.940 2.534 2.125 3.099 . 0 0 "[ . 1 . 2]" 1
2328 2 114 VAL HA 2 118 ASN H . . 4.560 3.972 3.722 4.237 . 0 0 "[ . 1 . 2]" 1
2329 2 114 VAL HB 2 115 ILE H . . 3.400 2.802 2.452 3.889 0.489 6 0 "[ . 1 . 2]" 1
2330 2 114 VAL MG2 2 115 ILE H . . 4.160 3.951 2.338 4.135 . 0 0 "[ . 1 . 2]" 1
2331 2 114 VAL MG2 2 116 LEU H . . 5.360 5.521 4.553 5.749 0.389 8 0 "[ . 1 . 2]" 1
2332 2 114 VAL MG2 2 117 LEU QD . . 5.300 3.438 2.999 4.746 . 0 0 "[ . 1 . 2]" 1
2333 2 115 ILE H 2 115 ILE HB . . 3.690 2.414 2.247 2.581 . 0 0 "[ . 1 . 2]" 1
2334 2 115 ILE H 2 115 ILE QG . . 3.740 2.315 1.995 3.431 . 0 0 "[ . 1 . 2]" 1
2335 2 115 ILE H 2 115 ILE MG . . 3.770 3.760 3.697 3.804 0.034 3 0 "[ . 1 . 2]" 1
2336 2 115 ILE H 2 116 LEU H . . 3.610 2.729 2.505 2.825 . 0 0 "[ . 1 . 2]" 1
2337 2 115 ILE H 2 117 LEU H . . 4.540 4.218 4.091 4.500 . 0 0 "[ . 1 . 2]" 1
2338 2 115 ILE H 2 118 ASN QB . . 5.240 4.912 4.536 5.304 0.064 19 0 "[ . 1 . 2]" 1
2339 2 115 ILE HA 2 115 ILE MD . . 4.030 3.800 2.828 3.950 . 0 0 "[ . 1 . 2]" 1
2340 2 115 ILE HA 2 115 ILE QG . . 3.320 2.411 2.256 2.542 . 0 0 "[ . 1 . 2]" 1
2341 2 115 ILE HA 2 115 ILE MG . . 3.430 2.493 2.384 2.650 . 0 0 "[ . 1 . 2]" 1
2342 2 115 ILE HA 2 118 ASN H . . 3.940 3.552 3.344 3.781 . 0 0 "[ . 1 . 2]" 1
2343 2 115 ILE HA 2 118 ASN QB . . 3.770 2.595 2.206 2.989 . 0 0 "[ . 1 . 2]" 1
2344 2 115 ILE HA 2 118 ASN QD . . 4.730 3.060 2.524 3.956 . 0 0 "[ . 1 . 2]" 1
2345 2 115 ILE HA 2 119 LYS H . . 4.270 4.052 3.612 4.590 0.320 1 0 "[ . 1 . 2]" 1
2346 2 115 ILE HB 2 115 ILE MD . . 3.290 2.351 2.268 2.482 . 0 0 "[ . 1 . 2]" 1
2347 2 115 ILE HB 2 116 LEU H . . 3.460 2.698 2.456 3.065 . 0 0 "[ . 1 . 2]" 1
2348 2 115 ILE QG 2 115 ILE MG . . 3.130 2.240 2.018 2.332 . 0 0 "[ . 1 . 2]" 1
2349 2 115 ILE QG 2 118 ASN QB . . 4.970 4.316 3.889 4.622 . 0 0 "[ . 1 . 2]" 1
2350 2 115 ILE MG 2 116 LEU H . . 3.800 3.393 3.001 3.748 . 0 0 "[ . 1 . 2]" 1
2351 2 115 ILE MG 2 118 ASN QB . . 4.280 3.841 3.487 4.339 0.059 20 0 "[ . 1 . 2]" 1
2352 2 116 LEU H 2 116 LEU QB . . 3.560 2.186 2.124 2.267 . 0 0 "[ . 1 . 2]" 1
2353 2 116 LEU H 2 116 LEU MD1 . . 4.170 4.135 3.709 4.304 0.134 12 0 "[ . 1 . 2]" 1
2354 2 116 LEU H 2 116 LEU HG . . 4.670 4.446 4.286 4.569 . 0 0 "[ . 1 . 2]" 1
2355 2 116 LEU H 2 117 LEU H . . 3.840 2.763 2.552 2.936 . 0 0 "[ . 1 . 2]" 1
2356 2 116 LEU H 2 118 ASN QB . . 5.470 5.045 4.641 5.398 . 0 0 "[ . 1 . 2]" 1
2357 2 116 LEU H 2 118 ASN QD . . 5.420 5.379 4.870 6.829 1.409 10 1 "[ . + . 2]" 1
2358 2 116 LEU HA 2 116 LEU MD1 . . 3.160 2.227 2.109 2.408 . 0 0 "[ . 1 . 2]" 1
2359 2 116 LEU HA 2 116 LEU HG . . 3.580 3.177 2.419 3.457 . 0 0 "[ . 1 . 2]" 1
2360 2 116 LEU HA 2 119 LYS H . . 3.930 3.656 3.255 4.120 0.190 14 0 "[ . 1 . 2]" 1
2361 2 116 LEU HA 2 120 HIS HD2 . . 4.750 4.042 3.589 4.762 0.012 1 0 "[ . 1 . 2]" 1
2362 2 116 LEU HA 2 120 HIS HE2 . . 5.450 4.960 4.452 5.462 0.012 12 0 "[ . 1 . 2]" 1
2363 2 116 LEU QB 2 117 LEU H . . 3.480 2.622 2.352 2.941 . 0 0 "[ . 1 . 2]" 1
2364 2 116 LEU MD1 2 117 LEU HA . . 5.060 4.788 4.278 5.775 0.715 14 1 "[ . 1 +. 2]" 1
2365 2 116 LEU MD1 2 120 HIS HD2 . . 4.080 3.179 2.370 4.563 0.483 14 0 "[ . 1 . 2]" 1
2366 2 116 LEU MD1 2 120 HIS HE1 . . 5.050 4.356 3.267 5.307 0.257 14 0 "[ . 1 . 2]" 1
2367 2 116 LEU MD1 2 120 HIS HE2 . . 3.890 2.722 2.246 3.892 0.002 14 0 "[ . 1 . 2]" 1
2368 2 116 LEU HG 2 117 LEU H . . 4.000 3.783 3.172 4.402 0.402 14 0 "[ . 1 . 2]" 1
2369 2 116 LEU HG 2 117 LEU HA . . 4.300 3.828 3.353 4.621 0.321 14 0 "[ . 1 . 2]" 1
2370 2 116 LEU HG 2 117 LEU QD . . 5.380 4.024 3.509 4.553 . 0 0 "[ . 1 . 2]" 1
2371 2 116 LEU HG 2 119 LYS HB3 . . 5.230 4.834 4.292 5.688 0.458 16 0 "[ . 1 . 2]" 1
2372 2 116 LEU HG 2 120 HIS HD2 . . 4.450 4.058 3.149 4.732 0.282 5 0 "[ . 1 . 2]" 1
2373 2 116 LEU HG 2 120 HIS HE2 . . 4.740 4.252 3.745 4.828 0.088 12 0 "[ . 1 . 2]" 1
2374 2 117 LEU H 2 117 LEU QD . . 4.090 3.146 2.274 3.350 . 0 0 "[ . 1 . 2]" 1
2375 2 117 LEU H 2 117 LEU HG . . 3.350 2.598 2.354 3.784 0.434 14 0 "[ . 1 . 2]" 1
2376 2 117 LEU H 2 121 ILE MD . . 5.160 5.194 4.927 5.815 0.655 1 1 "[+ . 1 . 2]" 1
2377 2 117 LEU HA 2 117 LEU QD . . 4.070 2.213 2.087 2.936 . 0 0 "[ . 1 . 2]" 1
2378 2 117 LEU HA 2 117 LEU HG . . 3.670 2.846 2.461 3.187 . 0 0 "[ . 1 . 2]" 1
2379 2 117 LEU HA 2 120 HIS H . . 3.760 3.658 3.381 4.187 0.427 1 0 "[ . 1 . 2]" 1
2380 2 117 LEU HA 2 120 HIS HD2 . . 4.460 4.329 3.086 5.275 0.815 5 2 "[ + - 1 . 2]" 1
2381 2 117 LEU HB3 2 118 ASN H . . 4.190 3.398 3.187 3.572 . 0 0 "[ . 1 . 2]" 1
2382 2 117 LEU HB3 2 121 ILE MD . . 4.220 2.526 2.166 3.395 . 0 0 "[ . 1 . 2]" 1
2383 2 118 ASN H 2 118 ASN QB . . 3.230 2.336 2.224 2.439 . 0 0 "[ . 1 . 2]" 1
2384 2 118 ASN H 2 118 ASN QD . . 3.910 2.797 2.299 4.079 0.169 10 0 "[ . 1 . 2]" 1
2385 2 118 ASN H 2 119 LYS H . . 3.360 2.837 2.729 3.104 . 0 0 "[ . 1 . 2]" 1
2386 2 118 ASN H 2 119 LYS HA . . 5.480 5.426 5.295 5.635 0.155 16 0 "[ . 1 . 2]" 1
2387 2 118 ASN H 2 120 HIS H . . 4.310 4.406 4.171 4.943 0.633 1 1 "[+ . 1 . 2]" 1
2388 2 118 ASN H 2 121 ILE MD . . 4.210 3.911 3.503 4.395 0.185 19 0 "[ . 1 . 2]" 1
2389 2 118 ASN HA 2 120 HIS H . . 3.970 4.278 3.793 4.708 0.738 14 4 "[ . * 1* +.- 2]" 1
2390 2 118 ASN HA 2 121 ILE H . . 4.010 3.257 2.937 3.613 . 0 0 "[ . 1 . 2]" 1
2391 2 118 ASN HA 2 121 ILE HB . . 4.580 2.463 2.186 2.956 . 0 0 "[ . 1 . 2]" 1
2392 2 118 ASN HA 2 121 ILE MD . . 3.900 2.747 2.136 3.485 . 0 0 "[ . 1 . 2]" 1
2393 2 118 ASN QB 2 119 LYS H . . 3.710 2.703 2.383 3.158 . 0 0 "[ . 1 . 2]" 1
2394 2 118 ASN QB 2 119 LYS HA . . 4.890 3.876 3.697 4.036 . 0 0 "[ . 1 . 2]" 1
2395 2 118 ASN QD 2 119 LYS H . . 5.080 4.625 4.377 5.377 0.297 10 0 "[ . 1 . 2]" 1
2396 2 119 LYS H 2 119 LYS HB3 . . 3.030 2.435 2.254 2.765 . 0 0 "[ . 1 . 2]" 1
2397 2 119 LYS H 2 119 LYS QD . . 4.810 4.536 4.001 4.798 . 0 0 "[ . 1 . 2]" 1
2398 2 119 LYS H 2 119 LYS HG3 . . 4.440 4.440 4.280 4.580 0.140 9 0 "[ . 1 . 2]" 1
2399 2 119 LYS H 2 120 HIS H . . 3.130 2.848 2.622 3.024 . 0 0 "[ . 1 . 2]" 1
2400 2 119 LYS H 2 120 HIS HD2 . . 4.060 4.149 3.382 4.648 0.588 5 1 "[ + 1 . 2]" 1
2401 2 119 LYS HA 2 119 LYS QD . . 3.740 2.378 2.144 2.817 . 0 0 "[ . 1 . 2]" 1
2402 2 119 LYS HA 2 119 LYS QE . . 3.340 3.145 2.346 3.982 0.642 13 2 "[ . 1 + .- 2]" 1
2403 2 119 LYS HA 2 119 LYS HG3 . . 3.510 3.269 2.787 3.555 0.045 19 0 "[ . 1 . 2]" 1
2404 2 119 LYS HA 2 120 HIS H . . 3.530 3.568 3.515 3.617 0.087 7 0 "[ . 1 . 2]" 1
2405 2 119 LYS HA 2 121 ILE H . . 4.810 4.537 3.848 5.120 0.310 12 0 "[ . 1 . 2]" 1
2406 2 119 LYS HB3 2 119 LYS QD . . 3.770 3.523 3.269 3.589 . 0 0 "[ . 1 . 2]" 1
2407 2 119 LYS HB3 2 120 HIS H . . 3.350 2.708 2.206 3.086 . 0 0 "[ . 1 . 2]" 1
2408 2 119 LYS HB3 2 120 HIS HE2 . . 4.450 4.289 3.578 5.245 0.795 18 1 "[ . 1 . + 2]" 1
2409 2 119 LYS HB3 2 121 ILE H . . 5.310 5.021 4.726 5.292 . 0 0 "[ . 1 . 2]" 1
2410 2 119 LYS QD 2 120 HIS HD2 . . 5.190 4.660 3.996 6.282 1.092 9 1 "[ . +1 . 2]" 1
2411 2 119 LYS HG3 2 120 HIS H . . 3.880 3.687 3.060 4.252 0.372 15 0 "[ . 1 . 2]" 1
2412 2 119 LYS HG3 2 120 HIS HD2 . . 4.510 3.001 2.239 5.099 0.589 9 1 "[ . +1 . 2]" 1
2413 2 120 HIS H 2 120 HIS HD2 . . 3.660 2.440 1.768 2.807 . 0 0 "[ . 1 . 2]" 1
2414 2 120 HIS H 2 120 HIS HE2 . . 5.500 4.932 4.067 5.315 . 0 0 "[ . 1 . 2]" 1
2415 2 120 HIS H 2 121 ILE H . . 3.610 2.523 2.272 2.844 . 0 0 "[ . 1 . 2]" 1
2416 2 120 HIS H 2 121 ILE HA . . 5.100 5.171 4.965 5.410 0.310 7 0 "[ . 1 . 2]" 1
2417 2 120 HIS H 2 121 ILE HB . . 4.640 4.594 4.255 5.015 0.375 1 0 "[ . 1 . 2]" 1
2418 2 120 HIS H 2 122 ASP H . . 4.150 4.357 3.816 4.809 0.659 11 2 "[ . 1+ -. 2]" 1
2419 2 120 HIS H 2 123 ALA H . . 5.100 4.895 4.641 5.415 0.315 9 0 "[ . 1 . 2]" 1
2420 2 120 HIS H 2 123 ALA MB . . 4.520 4.471 4.122 4.739 0.219 13 0 "[ . 1 . 2]" 1
2421 2 120 HIS HA 2 123 ALA H . . 4.380 3.631 3.307 4.112 . 0 0 "[ . 1 . 2]" 1
2422 2 120 HIS HA 2 123 ALA MB . . 4.130 2.309 2.107 2.835 . 0 0 "[ . 1 . 2]" 1
2423 2 120 HIS HB3 2 121 ILE H . . 4.230 3.795 3.168 4.245 0.015 7 0 "[ . 1 . 2]" 1
2424 2 120 HIS HB3 2 123 ALA H . . 5.500 5.338 4.981 5.774 0.274 7 0 "[ . 1 . 2]" 1
2425 2 120 HIS HB3 2 123 ALA MB . . 4.490 4.209 3.949 4.818 0.328 7 0 "[ . 1 . 2]" 1
2426 2 121 ILE H 2 121 ILE HB . . 3.490 2.337 2.144 2.487 . 0 0 "[ . 1 . 2]" 1
2427 2 121 ILE H 2 121 ILE MG . . 3.940 3.748 3.658 3.816 . 0 0 "[ . 1 . 2]" 1
2428 2 121 ILE H 2 122 ASP HB2 . . 4.980 4.700 4.075 5.055 0.075 15 0 "[ . 1 . 2]" 1
2429 2 121 ILE H 2 123 ALA H . . 4.510 3.786 3.535 4.059 . 0 0 "[ . 1 . 2]" 1
2430 2 121 ILE H 2 123 ALA MB . . 4.700 4.404 4.200 4.804 0.104 13 0 "[ . 1 . 2]" 1
2431 2 121 ILE HA 2 121 ILE MD . . 4.180 3.848 3.759 3.947 . 0 0 "[ . 1 . 2]" 1
2432 2 121 ILE HB 2 122 ASP HB2 . . 4.650 4.292 3.718 4.690 0.040 8 0 "[ . 1 . 2]" 1
2433 2 121 ILE MG 2 122 ASP H . . 3.820 3.230 2.722 3.833 0.013 1 0 "[ . 1 . 2]" 1
2434 2 121 ILE MG 2 122 ASP HB2 . . 4.470 4.265 3.564 4.777 0.307 13 0 "[ . 1 . 2]" 1
2435 2 121 ILE MG 2 123 ALA H . . 4.840 4.688 4.399 5.334 0.494 1 0 "[ . 1 . 2]" 1
2436 2 122 ASP H 2 122 ASP HB2 . . 4.120 2.296 2.035 2.586 . 0 0 "[ . 1 . 2]" 1
2437 2 122 ASP H 2 123 ALA H . . 3.930 2.629 2.075 3.012 . 0 0 "[ . 1 . 2]" 1
2438 2 122 ASP H 2 123 ALA MB . . 4.730 4.238 3.810 4.592 . 0 0 "[ . 1 . 2]" 1
2439 2 122 ASP HA 2 124 TYR QE . . 4.120 3.678 2.580 5.394 1.274 17 2 "[ . - 1 . + 2]" 1
2440 2 122 ASP HB2 2 123 ALA H . . 4.340 3.911 3.362 4.254 . 0 0 "[ . 1 . 2]" 1
2441 2 122 ASP HB2 2 123 ALA MB . . 5.480 5.257 4.829 5.690 0.210 10 0 "[ . 1 . 2]" 1
2442 2 123 ALA H 2 123 ALA MB . . 3.640 2.219 2.140 2.298 . 0 0 "[ . 1 . 2]" 1
2443 2 123 ALA H 2 124 TYR H . . 3.970 3.023 2.734 3.249 . 0 0 "[ . 1 . 2]" 1
2444 2 123 ALA H 2 124 TYR HA . . 5.320 5.546 5.306 5.720 0.400 18 0 "[ . 1 . 2]" 1
2445 2 123 ALA H 2 124 TYR QE . . 4.740 5.097 4.351 6.353 1.613 17 5 "[* -. * 1 * . + 2]" 1
2446 2 123 ALA H 2 125 LYS H . . 4.350 4.313 4.053 4.441 0.091 3 0 "[ . 1 . 2]" 1
2447 2 123 ALA HA 2 125 LYS H . . 4.270 4.061 3.828 4.567 0.297 18 0 "[ . 1 . 2]" 1
2448 2 123 ALA HA 2 126 THR MG . . 4.500 3.866 1.961 5.132 0.632 4 1 "[ +. 1 . 2]" 1
2449 2 123 ALA HA 2 127 PHE QE . . 4.660 4.178 3.473 5.994 1.334 18 1 "[ . 1 . + 2]" 1
2450 2 123 ALA MB 2 124 TYR H . . 3.950 2.438 2.233 2.731 . 0 0 "[ . 1 . 2]" 1
2451 2 123 ALA MB 2 125 LYS H . . 4.620 4.363 4.238 4.564 . 0 0 "[ . 1 . 2]" 1
2452 2 123 ALA MB 2 126 THR H . . 4.590 4.562 4.261 4.914 0.324 4 0 "[ . 1 . 2]" 1
2453 2 123 ALA MB 2 127 PHE H . . 5.190 5.146 4.397 5.837 0.647 12 2 "[ . 1 + . - 2]" 1
2454 2 123 ALA MB 2 127 PHE QE . . 2.880 2.424 2.120 4.456 1.576 18 1 "[ . 1 . + 2]" 1
2455 2 124 TYR H 2 125 LYS H . . 4.610 2.876 2.648 2.975 . 0 0 "[ . 1 . 2]" 1
2456 2 124 TYR H 2 126 THR H . . 4.910 4.368 3.965 4.573 . 0 0 "[ . 1 . 2]" 1
2457 2 124 TYR H 2 127 PHE H . . 4.960 5.154 4.728 5.747 0.787 12 1 "[ . 1 + . 2]" 1
2458 2 124 TYR H 2 127 PHE QE . . 4.590 4.810 4.194 5.651 1.061 8 3 "[ - + 1 . * 2]" 1
2459 2 124 TYR HA 2 126 THR H . . 4.030 3.796 3.530 4.102 0.072 7 0 "[ . 1 . 2]" 1
2460 2 124 TYR HA 2 127 PHE H . . 3.310 3.199 2.778 3.517 0.207 18 0 "[ . 1 . 2]" 1
2461 2 124 TYR HA 2 127 PHE QE . . 4.380 4.114 3.273 5.216 0.836 8 1 "[ . + 1 . 2]" 1
2462 2 124 TYR QB 2 125 LYS H . . 4.360 3.711 3.569 3.862 . 0 0 "[ . 1 . 2]" 1
2463 2 124 TYR QB 2 127 PHE QE . . 5.080 4.629 3.321 5.898 0.818 8 1 "[ . + 1 . 2]" 1
2464 2 124 TYR QE 2 125 LYS QB . . 5.100 4.864 4.457 5.527 0.427 17 0 "[ . 1 . 2]" 1
2465 2 124 TYR QE 2 125 LYS HD3 . . 5.400 3.992 2.407 5.485 0.085 3 0 "[ . 1 . 2]" 1
2466 2 124 TYR QE 2 125 LYS QE . . 4.880 4.015 2.568 5.642 0.762 3 1 "[ + . 1 . 2]" 1
2467 2 124 TYR QE 2 125 LYS HG3 . . 4.510 3.829 2.741 5.201 0.691 9 2 "[ . +1 . - 2]" 1
2468 2 125 LYS H 2 125 LYS HD3 . . 5.120 4.382 3.520 4.913 . 0 0 "[ . 1 . 2]" 1
2469 2 125 LYS H 2 125 LYS HG3 . . 3.450 2.884 2.023 3.569 0.119 11 0 "[ . 1 . 2]" 1
2470 2 125 LYS H 2 126 THR H . . 3.590 2.602 2.423 2.761 . 0 0 "[ . 1 . 2]" 1
2471 2 125 LYS H 2 127 PHE H . . 4.020 4.097 3.918 4.528 0.508 12 1 "[ . 1 + . 2]" 1
2472 2 125 LYS HA 2 125 LYS HD3 . . 4.360 4.253 3.520 4.705 0.345 3 0 "[ . 1 . 2]" 1
2473 2 125 LYS HA 2 125 LYS QE . . 4.500 3.528 1.876 4.938 0.438 7 0 "[ . 1 . 2]" 1
2474 2 125 LYS HA 2 125 LYS HG3 . . 4.030 3.555 2.562 3.965 . 0 0 "[ . 1 . 2]" 1
2475 2 125 LYS HA 2 126 THR MG . . 5.020 4.802 4.279 5.565 0.545 2 1 "[ + . 1 . 2]" 1
2476 2 125 LYS QB 2 125 LYS HD3 . . 3.800 2.850 2.232 3.597 . 0 0 "[ . 1 . 2]" 1
2477 2 125 LYS QB 2 125 LYS QE . . 3.570 2.495 2.037 3.379 . 0 0 "[ . 1 . 2]" 1
2478 2 125 LYS QB 2 126 THR H . . 4.430 3.048 2.857 3.212 . 0 0 "[ . 1 . 2]" 1
2479 2 125 LYS QB 2 126 THR MG . . 4.510 3.169 2.388 4.351 . 0 0 "[ . 1 . 2]" 1
2480 2 125 LYS QE 2 125 LYS HG3 . . 3.820 3.095 2.209 3.432 . 0 0 "[ . 1 . 2]" 1
2481 2 125 LYS HG3 2 126 THR H . . 5.280 4.848 4.369 5.409 0.129 11 0 "[ . 1 . 2]" 1
2482 2 126 THR H 2 126 THR MG . . 3.740 2.717 2.039 3.461 . 0 0 "[ . 1 . 2]" 1
2483 2 126 THR H 2 127 PHE H . . 2.800 2.358 2.012 2.786 . 0 0 "[ . 1 . 2]" 1
2484 2 126 THR H 2 127 PHE HA . . 4.530 4.738 4.539 4.996 0.466 7 0 "[ . 1 . 2]" 1
2485 2 126 THR HA 2 126 THR MG . . 3.350 2.540 2.167 3.264 . 0 0 "[ . 1 . 2]" 1
2486 2 126 THR HA 2 127 PHE H . . 3.360 3.306 2.874 3.484 0.124 11 0 "[ . 1 . 2]" 1
2487 2 126 THR HA 2 127 PHE HA . . 4.960 4.776 4.583 4.982 0.022 17 0 "[ . 1 . 2]" 1
2488 2 126 THR MG 2 127 PHE H . . 4.130 4.129 2.823 4.547 0.417 13 0 "[ . 1 . 2]" 1
2489 2 127 PHE H 2 127 PHE HB3 . . 3.470 3.477 3.307 3.577 0.107 7 0 "[ . 1 . 2]" 1
2490 2 127 PHE HA 2 127 PHE QE . . 4.430 4.553 4.440 4.743 0.313 11 0 "[ . 1 . 2]" 1
2491 2 127 PHE HA 2 128 PRO HA . . 4.430 4.453 4.393 4.497 0.067 17 0 "[ . 1 . 2]" 1
2492 2 127 PHE HA 2 128 PRO QD . . 2.920 2.203 2.090 2.380 . 0 0 "[ . 1 . 2]" 1
2493 2 127 PHE HB3 2 128 PRO HA . . 4.810 4.687 4.589 4.847 0.037 14 0 "[ . 1 . 2]" 1
2494 2 127 PHE HB3 2 128 PRO QD . . 3.010 2.344 2.062 3.055 0.045 17 0 "[ . 1 . 2]" 1
2495 2 127 PHE HB3 2 128 PRO HG2 . . 4.010 4.055 3.738 4.751 0.741 17 1 "[ . 1 . + 2]" 1
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