NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394342 |
1r4y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r4y
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 2013
_Distance_constraint_stats_list.Viol_count 7379
_Distance_constraint_stats_list.Viol_total 267411.719
_Distance_constraint_stats_list.Viol_max 22.050
_Distance_constraint_stats_list.Viol_rms 1.3476
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2125
_Distance_constraint_stats_list.Viol_average_violations_only 1.4496
_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 1 ALA 4.696 1.065 8 5 "[ * . +-1 . 2 ** .]"
1 2 VAL 80.489 2.052 20 25 [************-******+*****]
1 3 THR 2.622 0.665 1 1 "[+ . 1 . 2 .]"
1 4 TRP 156.532 2.052 20 25 [*******-***********+*****]
1 5 THR 1522.903 16.334 22 25 [*********************+**-]
1 6 CYS 35.682 1.821 13 19 "[** *.* *****+*** *-** **]"
1 7 GLY 24.780 1.941 25 11 "[ ** .* *1 *-* 2* **+]"
1 8 GLY 528.016 22.050 11 25 [*-********+**************]
1 9 LEU 3330.165 21.676 17 25 [****************+**-*****]
1 10 LEU 976.056 14.658 23 25 [****-*****************+**]
1 11 TYR 715.668 9.886 25 25 [************************+]
1 12 ASN 357.490 8.314 22 25 [************-********+***]
1 13 GLN 31.225 0.919 25 12 "[ ** * * - * ** ** *+]"
1 14 ASN 21.436 1.065 8 10 "[ * - +*1 ** * * 2 ** .]"
1 15 LYS 63.687 1.415 11 25 [**********+**********-***]
1 16 ALA 173.021 3.473 4 25 [***+****************-****]
1 17 GLU 218.863 4.586 4 25 [***+******-**************]
1 18 SER 1135.770 9.886 25 25 [-***********************+]
1 19 ASN 708.173 11.923 22 25 [******-**************+***]
1 20 SER 673.198 16.845 22 25 [************-********+***]
1 21 HIS 60.376 1.098 4 25 [***+************-********]
1 22 HIS 2736.917 22.050 11 25 [**********+******-*******]
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 PRO 37.172 1.212 16 25 [**************-+*********]
1 25 LEU 108.590 3.213 16 25 [***************+***-*****]
1 26 SER 38.808 0.879 16 6 "[ . * *1 *+* 2 *]"
1 27 ASP 115.080 3.315 12 25 [***********+***-*********]
1 28 GLY 0.028 0.017 6 0 "[ . 1 . 2 .]"
1 29 LYS 30.019 0.756 14 11 "[ ** .* *1* -+* * 2** .]"
1 30 THR 44.992 1.033 16 25 [***************+*****-***]
1 31 GLY 24.465 0.774 3 22 "[**+**-***1***** ********]"
1 32 SER 57.367 2.418 19 25 [-*****************+******]
1 33 SER 39.654 1.813 25 25 [*********-**************+]
1 34 TYR 12.790 1.014 16 12 "[ ***. * * * -+ * * * *.]"
1 35 PRO 25.675 1.212 16 24 "[***** ********-+*********]"
1 36 HIS 32.581 1.741 6 14 "[ ** .+***1 * ** -*2** *.]"
1 37 TRP 34.724 0.787 17 4 "[ . 1 . + -2 **]"
1 38 PHE 32.003 1.741 6 17 "[*** .+***1 * ***-*2** **]"
1 39 THR 4.774 0.347 10 0 "[ . 1 . 2 .]"
1 40 ASN 11.075 0.566 3 10 "[ +*. * **- .** *2 *.]"
1 41 GLY 15.669 1.014 10 14 "[** *** * + * * ** ** -]"
1 42 TYR 19.244 1.330 5 7 "[** *+ - 1* . * 2 .]"
1 43 ASP 38.793 2.170 10 17 "[ **.-***+****.*** 2** *.]"
1 44 GLY 0.936 0.251 17 0 "[ . 1 . 2 .]"
1 45 ASP 15.334 1.200 10 8 "[ * . ** +* *. - 2* .]"
1 46 GLY 39.663 2.170 10 21 "[* **.-***+******** *** **]"
1 47 LYS 34.660 1.291 10 20 "[****.* **+****** * *-* **]"
1 48 LEU 25.728 0.913 19 15 "[** *** * * -* * +* ** *]"
1 49 PRO 14.289 1.014 10 3 "[ *. - + . 2 .]"
1 50 LYS 20.478 0.617 10 23 "[****.****+******-*** ****]"
1 51 GLY 17.296 0.617 10 23 "[****.****+******-*** ****]"
1 52 ARG 19.048 0.575 17 10 "[** ** 1- * . + * * *]"
1 53 THR 18.155 0.525 2 2 "[ + . 1- . 2 .]"
1 54 PRO 11.170 0.855 5 6 "[* *+ - 1* . * 2 .]"
1 55 ILE 43.379 0.996 2 25 [*+*********************-*]
1 56 LYS 26.556 0.728 3 11 "[ +*. * **** . * 2 *-*]"
1 57 PHE 36.912 1.662 9 24 "[********+************* -*]"
1 58 GLY 9.269 0.344 4 0 "[ . 1 . 2 .]"
1 59 LYS 10.619 0.652 24 1 "[ . 1 . 2 +.]"
1 60 SER 0.016 0.012 5 0 "[ . 1 . 2 .]"
1 61 ASP 27.845 1.044 19 24 "[*******-**********+**** *]"
1 62 CYS 5.330 0.685 5 3 "[ * + 1 . 2 -.]"
1 63 ASP 60.183 2.054 9 25 [*******-+****************]
1 64 ARG 49.041 1.044 19 24 "[****-*************+**** *]"
1 65 PRO 12.936 0.703 19 6 "[ *. 1 . - +** *.]"
1 66 PRO 25.965 0.757 3 9 "[ +*. * .*- *** *.]"
1 67 LYS 77.955 1.562 22 24 "[******* ************-+***]"
1 68 HIS 38.363 1.776 19 20 "[* ******** - *.***+** ***]"
1 69 SER 52.264 3.882 10 25 [*********+********-******]
1 70 LYS 40.374 0.997 23 25 [***********-**********+**]
1 71 ASP 140.657 3.315 12 25 [******-****+*************]
1 72 GLY 73.463 3.882 10 25 [*********+****-**********]
1 73 ASN 15.997 1.288 3 8 "[ + .*-**1 * .* 2 * .]"
1 74 GLY 0.470 0.111 21 0 "[ . 1 . 2 .]"
1 75 LYS 49.499 1.581 15 25 [********-*****+**********]
1 76 THR 45.274 1.581 15 25 [********-*****+**********]
1 77 ASP 9.847 1.161 3 6 "[ + .* *- . * 2 * .]"
1 78 HIS 58.555 1.562 22 24 "[******* *******-*****+***]"
1 79 TYR 0.260 0.109 16 0 "[ . 1 . 2 .]"
1 80 LEU 51.890 2.054 9 25 [********+**-*************]
1 81 LEU 30.231 0.990 24 15 "[*** . ***1- **.** * *+*]"
1 82 GLU 4.828 0.426 21 0 "[ . 1 . 2 .]"
1 83 PHE 20.968 0.659 21 13 "[ **** ** * * **2+-* .]"
1 84 PRO 27.896 0.912 4 11 "[ +* * 1* * . *2*-***]"
1 85 THR 108.456 3.026 25 25 [*****-******************+]
1 86 PHE 18.553 0.912 4 13 "[ * +* *1 *** ** ****]"
1 87 PRO 11.385 0.578 21 5 "[ -* .* 1 . * 2+ .]"
1 88 ASP 4.950 0.430 16 0 "[ . 1 . 2 .]"
1 89 GLY 14.873 0.913 21 9 "[* *.* ** . - *2+* .]"
1 90 HIS 48.259 1.415 11 25 [******-***+**************]
1 91 ASP 54.417 3.026 25 23 "[ ** -*******************+]"
1 92 TYR 2.711 0.361 21 0 "[ . 1 . 2 .]"
1 93 LYS 10.987 0.539 16 2 "[ . 1 .+- 2 .]"
1 94 PHE 28.155 1.014 16 24 "[**************-+ ********]"
1 95 ASP 19.227 1.123 16 9 "[ ** .* *1 * *.+ 2*- .]"
1 96 SER 8.253 0.900 15 4 "[ . *- +* 2 .]"
1 97 LYS 56.111 2.543 13 25 [************+********-***]
1 98 LYS 15.807 0.669 15 5 "[ . * *- + * 2 .]"
1 99 PRO 59.971 1.061 13 25 [*********-**+************]
1 100 LYS 159.876 2.543 13 25 [************+********-***]
1 101 GLU 18.715 0.713 10 7 "[ * + **. 2 ***]"
1 102 ASN 14.012 0.852 7 8 "[ . +**1 .* *2**- .]"
1 103 PRO 8.369 0.852 7 5 "[ . + *1 .* 2-* .]"
1 104 GLY 233.537 8.371 10 25 [*********+**********-****]
1 105 PRO 363.294 6.728 19 25 [*****************-+******]
1 106 ALA 24.060 1.102 6 24 "[*****+*-************ ****]"
1 107 ARG 51.060 2.075 12 24 "[***********+***-**** ****]"
1 108 VAL 42.379 1.628 7 25 [******+***-**************]
1 109 ILE 29.482 0.882 22 9 "[* . * * .** -2*+ *]"
1 110 TYR 44.457 1.662 9 24 "[******-*+************** *]"
1 111 THR 4.409 0.922 22 1 "[ . 1 . 2 + .]"
1 112 TYR 6.506 0.610 14 3 "[ * . 1- +. 2 .]"
1 113 PRO 26.638 0.892 11 25 [**********+******-*******]
1 114 ASN 35.715 1.222 11 25 [**********+******-*******]
1 115 LYS 130.668 3.213 16 25 [***************+***-*****]
1 116 VAL 1.410 0.179 7 0 "[ . 1 . 2 .]"
1 117 PHE 16.798 1.012 3 11 "[* + .* *- **** *2 *]"
1 118 CYS 3.704 0.566 2 2 "[ + . 1 . 2 -.]"
1 119 GLY 10.390 0.455 19 0 "[ . 1 . 2 .]"
1 120 ILE 83.875 1.622 4 25 [-**+*********************]
1 121 ILE 52.849 0.996 2 25 [*+*-*********************]
1 122 ALA 53.329 2.075 12 24 "[******-****+******** ****]"
1 123 HIS 388.669 3.911 10 25 [******-**+***************]
1 124 THR 16.682 1.941 25 10 "[ ** .* 1 *-* 2* **+]"
1 125 LYS 941.291 11.904 13 25 [************+***********-]
1 126 GLU 1056.545 14.658 23 25 [*********-************+**]
1 127 ASN 739.311 8.371 10 25 [*********+**-************]
1 128 GLN 68.306 2.042 16 25 [-**************+*********]
1 129 GLY 0.425 0.089 16 0 "[ . 1 . 2 .]"
1 130 GLU 2.907 0.396 16 0 "[ . 1 . 2 .]"
1 131 LEU 16.110 1.269 20 11 "[ ** 1* **. +**-**]"
1 132 LYS 33.666 0.837 21 25 [***************-****+****]
1 133 LEU 17.189 0.722 15 8 "[* .* - * * + * 2 * .]"
1 134 CYS 33.261 0.820 6 19 "[* *-.+** *** *** *******]"
1 135 SER 57.757 2.803 4 25 [***+*****-***************]
1 136 HIS 99.313 2.803 4 25 [***+*****-***************]
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 1 ALA HA 1 2 VAL MG2 . . 6.850 5.618 5.310 6.105 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 ALA MB 1 12 ASN HA . . 7.030 5.220 4.422 5.931 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 ALA MB 1 12 ASN HD22 . . 4.540 3.509 1.999 4.871 0.331 8 0 "[ . 1 . 2 .]" 1
4 1 1 ALA MB 1 14 ASN H . . 5.730 3.473 2.050 4.874 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 ALA MB 1 14 ASN QB . . 3.790 3.530 2.219 4.855 1.065 8 5 "[ * . +-1 . 2 ** .]" 1
6 1 2 VAL HA 1 2 VAL HB . . 3.080 2.519 2.321 2.801 . 0 0 "[ . 1 . 2 .]" 1
7 1 2 VAL HA 1 3 THR H . . 2.510 2.232 2.105 2.536 0.026 4 0 "[ . 1 . 2 .]" 1
8 1 2 VAL HB 1 4 TRP HD1 . . 3.980 5.734 5.097 6.032 2.052 20 25 [****************-**+*****] 1
9 1 2 VAL HB 1 4 TRP HE1 . . 5.030 5.051 4.087 5.598 0.568 25 3 "[ . 1 - . 2 *+]" 1
10 1 2 VAL HB 1 13 GLN H . . 6.000 6.306 5.300 6.919 0.919 25 8 "[ ** . * 1 * - * *+]" 1
11 1 2 VAL HB 1 136 HIS QB . . 3.620 4.425 4.044 5.352 1.732 22 22 "[************ -****** +**.]" 1
12 1 2 VAL MG1 1 3 THR H . . 4.800 3.716 3.052 4.125 . 0 0 "[ . 1 . 2 .]" 1
13 1 2 VAL MG1 1 3 THR HA . . 6.060 4.202 3.814 4.713 . 0 0 "[ . 1 . 2 .]" 1
14 1 2 VAL MG1 1 3 THR HB . . 6.240 5.444 4.818 5.816 . 0 0 "[ . 1 . 2 .]" 1
15 1 2 VAL MG1 1 4 TRP H . . 7.030 4.315 3.755 4.802 . 0 0 "[ . 1 . 2 .]" 1
16 1 2 VAL MG1 1 4 TRP HA . . 6.670 4.290 3.624 4.771 . 0 0 "[ . 1 . 2 .]" 1
17 1 2 VAL MG1 1 4 TRP QB . . 5.730 4.698 4.268 5.080 . 0 0 "[ . 1 . 2 .]" 1
18 1 2 VAL MG1 1 4 TRP HD1 . . 4.360 2.958 2.534 3.320 . 0 0 "[ . 1 . 2 .]" 1
19 1 2 VAL MG1 1 4 TRP HE1 . . 4.830 2.308 1.868 2.865 . 0 0 "[ . 1 . 2 .]" 1
20 1 2 VAL MG1 1 4 TRP HZ2 . . 7.030 3.734 3.220 4.173 . 0 0 "[ . 1 . 2 .]" 1
21 1 2 VAL MG1 1 13 GLN HB2 . . 4.830 3.075 2.146 3.814 . 0 0 "[ . 1 . 2 .]" 1
22 1 2 VAL MG1 1 13 GLN HB3 . . 5.880 3.653 2.581 4.415 . 0 0 "[ . 1 . 2 .]" 1
23 1 2 VAL MG1 1 13 GLN QG . . 5.480 3.850 2.798 4.605 . 0 0 "[ . 1 . 2 .]" 1
24 1 2 VAL MG1 1 117 PHE HZ . . 7.030 5.243 4.418 5.810 . 0 0 "[ . 1 . 2 .]" 1
25 1 2 VAL MG1 1 117 PHE QE . . 7.030 5.021 4.218 5.655 . 0 0 "[ . 1 . 2 .]" 1
26 1 2 VAL MG1 1 120 ILE MD . . 8.060 5.612 5.053 6.072 . 0 0 "[ . 1 . 2 .]" 1
27 1 2 VAL MG1 1 136 HIS HA . . 5.980 4.657 3.438 5.994 0.014 12 0 "[ . 1 . 2 .]" 1
28 1 2 VAL MG1 1 136 HIS QB . . 4.510 2.708 1.897 3.691 . 0 0 "[ . 1 . 2 .]" 1
29 1 2 VAL MG1 1 136 HIS HD2 . . 4.720 2.276 1.795 4.605 . 0 0 "[ . 1 . 2 .]" 1
30 1 2 VAL MG2 1 3 THR H . . 6.340 2.375 1.848 3.314 . 0 0 "[ . 1 . 2 .]" 1
31 1 2 VAL MG2 1 3 THR HA . . 7.030 4.275 3.778 5.015 . 0 0 "[ . 1 . 2 .]" 1
32 1 2 VAL MG2 1 13 GLN H . . 5.980 5.378 4.792 5.932 . 0 0 "[ . 1 . 2 .]" 1
33 1 2 VAL MG2 1 13 GLN HB2 . . 6.670 5.189 4.365 5.699 . 0 0 "[ . 1 . 2 .]" 1
34 1 2 VAL MG2 1 13 GLN HB3 . . 5.770 5.714 5.050 6.205 0.435 13 0 "[ . 1 . 2 .]" 1
35 1 2 VAL MG2 1 136 HIS HD2 . . 5.980 3.254 2.164 4.552 . 0 0 "[ . 1 . 2 .]" 1
36 1 3 THR H 1 3 THR HB . . 2.760 2.424 2.132 2.727 . 0 0 "[ . 1 . 2 .]" 1
37 1 3 THR HA 1 3 THR HB . . 3.010 3.012 2.942 3.057 0.047 3 0 "[ . 1 . 2 .]" 1
38 1 3 THR HA 1 3 THR MG . . 3.570 2.392 2.100 2.777 . 0 0 "[ . 1 . 2 .]" 1
39 1 3 THR HA 1 4 TRP H . . 2.620 2.177 2.139 2.273 . 0 0 "[ . 1 . 2 .]" 1
40 1 3 THR HA 1 4 TRP HD1 . . 3.980 3.094 2.970 3.325 . 0 0 "[ . 1 . 2 .]" 1
41 1 3 THR HA 1 10 LEU QB . . 5.600 4.794 4.333 5.453 . 0 0 "[ . 1 . 2 .]" 1
42 1 3 THR HA 1 11 TYR H . . 6.000 4.173 3.552 4.683 . 0 0 "[ . 1 . 2 .]" 1
43 1 3 THR HA 1 12 ASN HA . . 2.830 2.291 1.910 2.853 0.023 25 0 "[ . 1 . 2 .]" 1
44 1 3 THR HA 1 13 GLN H . . 3.800 2.651 2.476 2.762 . 0 0 "[ . 1 . 2 .]" 1
45 1 3 THR HB 1 4 TRP H . . 5.640 4.414 4.128 4.640 . 0 0 "[ . 1 . 2 .]" 1
46 1 3 THR HB 1 10 LEU QD . . 6.990 3.312 2.369 5.398 . 0 0 "[ . 1 . 2 .]" 1
47 1 3 THR MG 1 4 TRP H . . 4.650 3.041 2.775 3.209 . 0 0 "[ . 1 . 2 .]" 1
48 1 3 THR MG 1 4 TRP HA . . 7.030 4.327 3.943 4.675 . 0 0 "[ . 1 . 2 .]" 1
49 1 3 THR MG 1 5 THR MG . . 6.650 5.052 4.484 5.685 . 0 0 "[ . 1 . 2 .]" 1
50 1 3 THR MG 1 10 LEU HA . . 4.980 2.937 2.504 3.458 . 0 0 "[ . 1 . 2 .]" 1
51 1 3 THR MG 1 10 LEU QB . . 3.790 1.959 1.834 2.654 . 0 0 "[ . 1 . 2 .]" 1
52 1 3 THR MG 1 10 LEU QD . . 5.430 2.294 1.754 3.299 . 0 0 "[ . 1 . 2 .]" 1
53 1 3 THR MG 1 11 TYR H . . 4.800 2.420 1.895 2.902 . 0 0 "[ . 1 . 2 .]" 1
54 1 3 THR MG 1 12 ASN HA . . 5.720 2.834 1.955 3.798 . 0 0 "[ . 1 . 2 .]" 1
55 1 3 THR MG 1 136 HIS QB . . 5.080 4.854 3.975 5.745 0.665 1 1 "[+ . 1 . 2 .]" 1
56 1 4 TRP H 1 4 TRP QB . . 3.370 2.343 2.279 2.389 . 0 0 "[ . 1 . 2 .]" 1
57 1 4 TRP H 1 4 TRP HD1 . . 3.590 2.163 2.073 2.275 . 0 0 "[ . 1 . 2 .]" 1
58 1 4 TRP H 1 11 TYR H . . 3.660 3.276 3.006 3.372 . 0 0 "[ . 1 . 2 .]" 1
59 1 4 TRP H 1 12 ASN HA . . 5.320 3.483 2.972 3.970 . 0 0 "[ . 1 . 2 .]" 1
60 1 4 TRP H 1 120 ILE MD . . 7.030 4.449 4.297 4.575 . 0 0 "[ . 1 . 2 .]" 1
61 1 4 TRP HA 1 5 THR H . . 2.540 2.206 2.163 2.284 . 0 0 "[ . 1 . 2 .]" 1
62 1 4 TRP HA 1 135 SER QB . . 5.570 5.931 5.572 6.367 0.797 3 6 "[ + . 1 ** .-* 2* .]" 1
63 1 4 TRP HA 1 136 HIS HA . . 2.900 2.491 2.016 3.300 0.400 3 0 "[ . 1 . 2 .]" 1
64 1 4 TRP HA 1 136 HIS QB . . 3.340 2.412 1.996 3.574 0.234 10 0 "[ . 1 . 2 .]" 1
65 1 4 TRP QB 1 4 TRP HE3 . . 2.900 2.381 2.332 2.417 . 0 0 "[ . 1 . 2 .]" 1
66 1 4 TRP QB 1 5 THR H . . 3.700 2.995 2.850 3.037 . 0 0 "[ . 1 . 2 .]" 1
67 1 4 TRP QB 1 11 TYR H . . 4.200 3.802 3.491 4.084 . 0 0 "[ . 1 . 2 .]" 1
68 1 4 TRP QB 1 11 TYR QB . . 3.590 2.413 2.041 2.710 . 0 0 "[ . 1 . 2 .]" 1
69 1 4 TRP QB 1 117 PHE QE . . 8.120 5.057 4.650 5.307 . 0 0 "[ . 1 . 2 .]" 1
70 1 4 TRP QB 1 120 ILE HB . . 5.350 2.919 2.609 3.252 . 0 0 "[ . 1 . 2 .]" 1
71 1 4 TRP QB 1 120 ILE MG . . 7.030 3.366 2.905 4.044 . 0 0 "[ . 1 . 2 .]" 1
72 1 4 TRP QB 1 120 ILE MD . . 4.620 2.616 2.266 2.835 . 0 0 "[ . 1 . 2 .]" 1
73 1 4 TRP QB 1 136 HIS HA . . 5.170 4.376 4.001 5.094 . 0 0 "[ . 1 . 2 .]" 1
74 1 4 TRP QB 1 6 CYS QB . . 5.940 5.181 4.762 5.617 . 0 0 "[ . 1 . 2 .]" 1
75 1 4 TRP QB 1 120 ILE H . . 4.340 4.390 3.949 4.721 0.381 13 0 "[ . 1 . 2 .]" 1
76 1 4 TRP HD1 1 12 ASN HA . . 4.780 4.174 3.790 4.697 . 0 0 "[ . 1 . 2 .]" 1
77 1 4 TRP HD1 1 13 GLN H . . 4.240 2.601 2.325 2.927 . 0 0 "[ . 1 . 2 .]" 1
78 1 4 TRP HD1 1 13 GLN HA . . 3.590 3.291 3.039 3.496 . 0 0 "[ . 1 . 2 .]" 1
79 1 4 TRP HD1 1 13 GLN HB2 . . 2.900 2.254 2.052 2.650 . 0 0 "[ . 1 . 2 .]" 1
80 1 4 TRP HD1 1 13 GLN HB3 . . 3.950 3.709 3.333 4.008 0.058 21 0 "[ . 1 . 2 .]" 1
81 1 4 TRP HD1 1 13 GLN QG . . 4.270 4.243 3.951 4.815 0.545 21 2 "[ . - . 2+ .]" 1
82 1 4 TRP HD1 1 117 PHE HZ . . 6.000 4.671 4.383 5.189 . 0 0 "[ . 1 . 2 .]" 1
83 1 4 TRP HD1 1 120 ILE MD . . 5.190 4.081 3.935 4.244 . 0 0 "[ . 1 . 2 .]" 1
84 1 4 TRP HD1 1 136 HIS QB . . 5.710 3.905 3.059 5.218 . 0 0 "[ . 1 . 2 .]" 1
85 1 4 TRP HE3 1 117 PHE QE . . 8.120 5.042 4.374 5.423 . 0 0 "[ . 1 . 2 .]" 1
86 1 4 TRP HE3 1 119 GLY QA . . 3.660 3.719 3.253 3.968 0.308 14 0 "[ . 1 . 2 .]" 1
87 1 4 TRP HE3 1 120 ILE H . . 4.380 2.808 2.486 3.040 . 0 0 "[ . 1 . 2 .]" 1
88 1 4 TRP HE3 1 120 ILE HB . . 3.620 2.816 2.338 3.555 . 0 0 "[ . 1 . 2 .]" 1
89 1 4 TRP HE3 1 120 ILE MG . . 6.310 4.332 3.898 4.936 . 0 0 "[ . 1 . 2 .]" 1
90 1 4 TRP HE3 1 120 ILE MD . . 7.030 3.585 2.567 4.244 . 0 0 "[ . 1 . 2 .]" 1
91 1 4 TRP HE3 1 133 LEU HA . . 6.000 5.990 5.646 6.197 0.197 15 0 "[ . 1 . 2 .]" 1
92 1 4 TRP HE3 1 133 LEU HG . . 4.990 4.368 4.044 4.588 . 0 0 "[ . 1 . 2 .]" 1
93 1 4 TRP HE3 1 133 LEU MD1 . . 4.810 4.817 4.118 5.264 0.454 22 0 "[ . 1 . 2 .]" 1
94 1 4 TRP HE3 1 133 LEU MD2 . . 7.030 4.986 4.368 5.407 . 0 0 "[ . 1 . 2 .]" 1
95 1 4 TRP HE3 1 134 CYS H . . 4.780 4.091 3.938 4.287 . 0 0 "[ . 1 . 2 .]" 1
96 1 4 TRP HE3 1 134 CYS HA . . 6.000 5.065 4.539 5.232 . 0 0 "[ . 1 . 2 .]" 1
97 1 4 TRP HE3 1 134 CYS HB2 . . 2.650 2.234 2.091 2.440 . 0 0 "[ . 1 . 2 .]" 1
98 1 4 TRP HE3 1 134 CYS HB3 . . 3.410 3.448 2.485 3.554 0.144 14 0 "[ . 1 . 2 .]" 1
99 1 4 TRP HE3 1 135 SER H . . 5.350 4.273 3.496 4.511 . 0 0 "[ . 1 . 2 .]" 1
100 1 4 TRP HE3 1 136 HIS HD2 . . 6.000 4.891 3.864 5.866 . 0 0 "[ . 1 . 2 .]" 1
101 1 4 TRP HE1 1 13 GLN HB2 . . 3.620 2.042 1.969 2.207 . 0 0 "[ . 1 . 2 .]" 1
102 1 4 TRP HE1 1 13 GLN HB3 . . 5.350 3.426 3.253 3.808 . 0 0 "[ . 1 . 2 .]" 1
103 1 4 TRP HE1 1 13 GLN QG . . 4.810 2.855 2.257 3.877 . 0 0 "[ . 1 . 2 .]" 1
104 1 4 TRP HE1 1 117 PHE QE . . 7.760 3.902 3.173 4.432 . 0 0 "[ . 1 . 2 .]" 1
105 1 4 TRP HE1 1 117 PHE HZ . . 5.640 3.641 3.082 4.212 . 0 0 "[ . 1 . 2 .]" 1
106 1 4 TRP HZ3 1 117 PHE QE . . 8.120 4.631 3.660 5.176 . 0 0 "[ . 1 . 2 .]" 1
107 1 4 TRP HZ3 1 119 GLY QA . . 3.880 2.417 2.099 2.768 . 0 0 "[ . 1 . 2 .]" 1
108 1 4 TRP HZ3 1 120 ILE H . . 3.520 2.622 2.064 3.331 . 0 0 "[ . 1 . 2 .]" 1
109 1 4 TRP HZ3 1 120 ILE HB . . 5.750 4.478 3.990 5.266 . 0 0 "[ . 1 . 2 .]" 1
110 1 4 TRP HZ3 1 133 LEU HG . . 3.410 3.118 2.693 3.230 . 0 0 "[ . 1 . 2 .]" 1
111 1 4 TRP HZ3 1 133 LEU MD1 . . 3.900 3.637 2.732 4.259 0.359 22 0 "[ . 1 . 2 .]" 1
112 1 4 TRP HZ3 1 133 LEU MD2 . . 5.440 3.177 2.618 3.726 . 0 0 "[ . 1 . 2 .]" 1
113 1 4 TRP HZ3 1 134 CYS H . . 5.460 4.344 4.026 4.651 . 0 0 "[ . 1 . 2 .]" 1
114 1 4 TRP HZ3 1 134 CYS HB2 . . 3.950 3.829 3.574 4.028 0.078 21 0 "[ . 1 . 2 .]" 1
115 1 4 TRP HZ3 1 136 HIS HD2 . . 5.210 5.509 4.926 5.763 0.553 9 2 "[ . +1 . 2- .]" 1
116 1 4 TRP HZ2 1 117 PHE HZ . . 3.590 3.250 2.441 4.135 0.545 17 7 "[- .* * **+ *2 .]" 1
117 1 4 TRP HZ2 1 117 PHE QE . . 2.830 2.351 2.051 2.813 . 0 0 "[ . 1 . 2 .]" 1
118 1 4 TRP HZ2 1 119 GLY QA . . 4.060 3.935 3.478 4.356 0.296 17 0 "[ . 1 . 2 .]" 1
119 1 4 TRP HZ2 1 120 ILE H . . 5.170 5.903 5.523 6.267 1.097 15 20 "[* **.*-****** +****2*** *]" 1
120 1 4 TRP HZ2 1 120 ILE MD . . 7.030 5.235 4.682 5.506 . 0 0 "[ . 1 . 2 .]" 1
121 1 4 TRP HZ2 1 136 HIS HD2 . . 4.560 3.995 2.838 5.969 1.409 25 3 "[ . 1 *-. 2 +]" 1
122 1 4 TRP HZ2 1 136 HIS HE1 . . 5.140 4.449 2.496 5.447 0.307 23 0 "[ . 1 . 2 .]" 1
123 1 4 TRP HH2 1 119 GLY QA . . 3.120 2.784 2.295 3.291 0.171 17 0 "[ . 1 . 2 .]" 1
124 1 4 TRP HH2 1 120 ILE H . . 4.340 4.504 3.968 5.102 0.762 8 9 "[- .* + * * * * *2 * .]" 1
125 1 4 TRP HH2 1 120 ILE HB . . 6.000 6.420 6.007 7.065 1.065 19 10 "[* .* * * * *** +2 - .]" 1
126 1 4 TRP HH2 1 133 LEU MD1 . . 4.720 4.884 4.101 5.442 0.722 15 8 "[* .* - * * + * 2 * .]" 1
127 1 4 TRP HH2 1 133 LEU MD2 . . 7.030 4.073 3.711 4.621 . 0 0 "[ . 1 . 2 .]" 1
128 1 4 TRP HH2 1 136 HIS HD2 . . 4.560 5.163 4.455 5.907 1.347 25 14 "[ * . *- * ***. **** * *+]" 1
129 1 5 THR H 1 5 THR HB . . 3.020 2.536 2.392 2.701 . 0 0 "[ . 1 . 2 .]" 1
130 1 5 THR H 1 134 CYS HB3 . . 6.000 3.058 2.800 3.347 . 0 0 "[ . 1 . 2 .]" 1
131 1 5 THR H 1 135 SER H . . 3.800 2.959 2.693 3.281 . 0 0 "[ . 1 . 2 .]" 1
132 1 5 THR H 1 136 HIS HA . . 4.340 2.886 2.195 4.060 . 0 0 "[ . 1 . 2 .]" 1
133 1 5 THR HA 1 5 THR MG . . 3.610 2.735 2.480 2.823 . 0 0 "[ . 1 . 2 .]" 1
134 1 5 THR HA 1 6 CYS H . . 2.510 2.111 2.036 2.212 . 0 0 "[ . 1 . 2 .]" 1
135 1 5 THR HA 1 10 LEU QD . . 4.520 3.815 3.173 4.511 . 0 0 "[ . 1 . 2 .]" 1
136 1 5 THR HA 1 11 TYR H . . 2.990 3.478 3.207 3.953 0.963 22 10 "[* * .* 1 * .** *2*+ -]" 1
137 1 5 THR HA 1 11 TYR QD . . 4.950 2.731 2.285 3.334 . 0 0 "[ . 1 . 2 .]" 1
138 1 5 THR HB 1 6 CYS HA . . 6.000 5.351 5.061 5.546 . 0 0 "[ . 1 . 2 .]" 1
139 1 5 THR HB 1 22 HIS QB . . 5.600 20.408 19.990 21.080 15.480 10 25 [*********+*****-*********] 1
140 1 5 THR HB 1 10 LEU QD . . 5.980 3.599 2.835 5.199 . 0 0 "[ . 1 . 2 .]" 1
141 1 5 THR HB 1 134 CYS HA . . 6.000 6.583 6.110 6.820 0.820 6 19 "[* **.+-* *** *** *******]" 1
142 1 5 THR HB 1 136 HIS HA . . 5.210 3.704 2.917 5.321 0.111 1 0 "[ . 1 . 2 .]" 1
143 1 5 THR MG 1 6 CYS H . . 4.760 2.648 2.255 3.068 . 0 0 "[ . 1 . 2 .]" 1
144 1 5 THR MG 1 6 CYS HA . . 6.520 3.534 3.356 3.956 . 0 0 "[ . 1 . 2 .]" 1
145 1 5 THR MG 1 22 HIS HA . . 5.000 20.703 20.303 21.334 16.334 22 25 [***************-*****+***] 1
146 1 5 THR MG 1 22 HIS QB . . 4.290 17.674 17.261 18.233 13.943 22 25 [***************-*****+***] 1
147 1 5 THR MG 1 22 HIS HD2 . . 5.010 19.336 18.733 19.937 14.927 22 25 [***************-*****+***] 1
148 1 5 THR MG 1 9 LEU H . . 5.730 3.699 2.785 4.478 . 0 0 "[ . 1 . 2 .]" 1
149 1 5 THR MG 1 9 LEU QB . . 6.200 5.133 3.924 5.732 . 0 0 "[ . 1 . 2 .]" 1
150 1 5 THR MG 1 10 LEU H . . 6.700 5.211 4.606 5.737 . 0 0 "[ . 1 . 2 .]" 1
151 1 5 THR MG 1 10 LEU QB . . 3.430 5.050 3.552 5.610 2.180 7 24 "[****-*+*** **************]" 1
152 1 5 THR MG 1 10 LEU QD . . 5.540 2.998 2.241 4.687 . 0 0 "[ . 1 . 2 .]" 1
153 1 6 CYS H 1 9 LEU H . . 3.700 3.467 2.850 3.623 . 0 0 "[ . 1 . 2 .]" 1
154 1 6 CYS H 1 11 TYR QE . . 8.130 2.693 2.112 3.257 . 0 0 "[ . 1 . 2 .]" 1
155 1 6 CYS HA 1 7 GLY H . . 2.470 2.871 2.344 3.617 1.147 25 7 "[ * . *1 ** 2- *+]" 1
156 1 6 CYS HA 1 122 ALA MB . . 6.450 3.801 3.512 4.074 . 0 0 "[ . 1 . 2 .]" 1
157 1 6 CYS HA 1 134 CYS HA . . 3.160 3.100 2.785 3.334 0.174 21 0 "[ . 1 . 2 .]" 1
158 1 6 CYS HA 1 134 CYS HB2 . . 4.960 4.818 4.166 5.124 0.164 9 0 "[ . 1 . 2 .]" 1
159 1 6 CYS HA 1 134 CYS HB3 . . 3.440 3.376 2.689 3.893 0.453 22 0 "[ . 1 . 2 .]" 1
160 1 6 CYS HA 1 135 SER H . . 3.980 3.817 3.669 3.888 . 0 0 "[ . 1 . 2 .]" 1
161 1 6 CYS CB 1 134 CYS SG . . 3.100 2.947 2.848 3.082 . 0 0 "[ . 1 . 2 .]" 1
162 1 6 CYS QB 1 7 GLY H . . 4.180 3.406 1.920 4.013 . 0 0 "[ . 1 . 2 .]" 1
163 1 6 CYS QB 1 9 LEU QB . . 5.260 5.102 3.461 6.169 0.909 13 4 "[ * *. - 1 + . 2 .]" 1
164 1 6 CYS QB 1 9 LEU HG . . 5.980 6.563 4.353 7.801 1.821 13 14 "[** *.* * ***+** *- * .]" 1
165 1 6 CYS QB 1 9 LEU QD . . 7.510 4.797 2.800 6.704 . 0 0 "[ . 1 . 2 .]" 1
166 1 6 CYS QB 1 11 TYR QB . . 6.880 5.230 4.948 5.698 . 0 0 "[ . 1 . 2 .]" 1
167 1 6 CYS QB 1 11 TYR QD . . 6.880 3.503 3.128 4.036 . 0 0 "[ . 1 . 2 .]" 1
168 1 6 CYS QB 1 11 TYR QE . . 4.760 2.468 2.107 2.999 . 0 0 "[ . 1 . 2 .]" 1
169 1 6 CYS QB 1 105 PRO QG . . 5.900 4.510 3.443 7.341 1.441 21 1 "[ . 1 . 2+ .]" 1
170 1 6 CYS QB 1 122 ALA MB . . 4.410 1.878 1.791 1.928 . 0 0 "[ . 1 . 2 .]" 1
171 1 6 CYS QB 1 135 SER H . . 6.880 5.136 4.697 5.474 . 0 0 "[ . 1 . 2 .]" 1
172 1 6 CYS SG 1 134 CYS CB . . 3.100 3.047 2.958 3.143 0.043 10 0 "[ . 1 . 2 .]" 1
173 1 6 CYS SG 1 134 CYS SG . . 2.100 1.997 1.956 2.029 . 0 0 "[ . 1 . 2 .]" 1
174 1 7 GLY H 1 124 THR MG . . 4.510 4.758 2.852 6.451 1.941 25 10 "[ ** .* 1 *-* 2* **+]" 1
175 1 8 GLY H 1 22 HIS HA . . 4.030 25.151 23.717 26.080 22.050 11 25 [*-********+**************] 1
176 1 8 GLY H 1 9 LEU QD . . 7.030 4.141 1.814 5.356 . 0 0 "[ . 1 . 2 .]" 1
177 1 9 LEU H 1 9 LEU QB . . 2.760 2.673 2.377 3.008 0.248 17 0 "[ . 1 . 2 .]" 1
178 1 9 LEU H 1 126 GLU HA . . 4.560 12.103 10.301 12.845 8.285 19 25 [******************+*-****] 1
179 1 9 LEU HA 1 10 LEU H . . 2.400 2.269 2.133 2.413 0.013 4 0 "[ . 1 . 2 .]" 1
180 1 9 LEU HA 1 18 SER QB . . 6.000 15.062 14.510 15.706 9.706 11 25 [**********+*********-****] 1
181 1 9 LEU HA 1 19 ASN H . . 4.160 15.536 14.882 16.083 11.923 22 25 [********************-+***] 1
182 1 9 LEU HA 1 20 SER HA . . 2.400 18.268 17.604 19.245 16.845 22 25 [***************-*****+***] 1
183 1 9 LEU HA 1 125 LYS HA . . 5.930 15.069 13.944 15.848 9.918 15 25 [*************-+**********] 1
184 1 9 LEU QB 1 125 LYS HA . . 2.510 13.367 11.282 14.414 11.904 13 25 [************+*******-****] 1
185 1 9 LEU QB 1 125 LYS QB . . 4.670 12.481 10.220 13.382 8.712 13 25 [************+*******-****] 1
186 1 9 LEU QB 1 125 LYS QG . . 4.960 13.822 11.800 14.807 9.847 13 25 [************+*******-****] 1
187 1 9 LEU QB 1 126 GLU H . . 6.000 12.000 9.463 13.096 7.096 19 25 [******************+*-****] 1
188 1 9 LEU QB 1 10 LEU H . . 4.160 2.674 2.425 2.978 . 0 0 "[ . 1 . 2 .]" 1
189 1 9 LEU QB 1 18 SER QB . . 4.490 12.277 11.573 12.866 8.376 11 25 [*********-+**************] 1
190 1 9 LEU QB 1 20 SER HA . . 6.000 14.383 13.829 15.212 9.212 22 25 [***************-*****+***] 1
191 1 10 LEU H 1 10 LEU QB . . 2.720 2.353 2.097 2.928 0.208 5 0 "[ . 1 . 2 .]" 1
192 1 10 LEU H 1 19 ASN H . . 2.940 13.852 13.034 14.355 11.415 22 25 [********************-+***] 1
193 1 10 LEU HA 1 10 LEU QB . . 2.620 2.420 2.121 2.564 . 0 0 "[ . 1 . 2 .]" 1
194 1 10 LEU HA 1 11 TYR H . . 2.400 2.176 2.016 2.391 . 0 0 "[ . 1 . 2 .]" 1
195 1 10 LEU HA 1 11 TYR HA . . 4.810 4.474 4.389 4.619 . 0 0 "[ . 1 . 2 .]" 1
196 1 10 LEU HA 1 126 GLU HA . . 3.880 16.619 15.410 17.417 13.537 23 25 [********************-*+**] 1
197 1 10 LEU HA 1 126 GLU QG . . 3.260 17.011 16.047 17.918 14.658 23 25 [********************-*+**] 1
198 1 9 LEU QD 1 10 LEU QB . . 6.340 4.917 3.956 5.602 . 0 0 "[ . 1 . 2 .]" 1
199 1 10 LEU QB 1 11 TYR H . . 3.620 3.063 2.493 3.377 . 0 0 "[ . 1 . 2 .]" 1
200 1 11 TYR H 1 11 TYR HA . . 3.050 2.970 2.899 3.041 . 0 0 "[ . 1 . 2 .]" 1
201 1 11 TYR H 1 11 TYR QB . . 2.800 2.544 2.348 2.721 . 0 0 "[ . 1 . 2 .]" 1
202 1 11 TYR HA 1 11 TYR QB . . 2.800 2.364 2.262 2.419 . 0 0 "[ . 1 . 2 .]" 1
203 1 11 TYR HA 1 12 ASN H . . 2.440 2.211 2.147 2.352 . 0 0 "[ . 1 . 2 .]" 1
204 1 11 TYR HA 1 18 SER HA . . 2.400 11.838 11.053 12.286 9.886 25 25 [********************-***+] 1
205 1 11 TYR HA 1 18 SER QB . . 4.850 8.864 8.113 9.318 4.468 11 25 [**********+*********-****] 1
206 1 11 TYR HA 1 19 ASN H . . 4.060 8.803 8.003 9.198 5.138 24 25 [********************-**+*] 1
207 1 11 TYR QB 1 12 ASN H . . 3.620 3.678 3.492 3.826 0.206 6 0 "[ . 1 . 2 .]" 1
208 1 11 TYR QB 1 16 ALA HA . . 6.000 4.522 4.177 4.769 . 0 0 "[ . 1 . 2 .]" 1
209 1 11 TYR QB 1 11 TYR QD . . 3.010 2.164 2.148 2.194 . 0 0 "[ . 1 . 2 .]" 1
210 1 11 TYR QB 1 18 SER HA . . 5.890 10.378 10.110 10.623 4.733 25 25 [****-*******************+] 1
211 1 11 TYR QD 1 16 ALA HA . . 4.130 5.640 4.812 6.105 1.975 25 25 [-***********************+] 1
212 1 11 TYR QE 1 16 ALA HA . . 4.240 7.293 6.543 7.713 3.473 4 25 [-**+*********************] 1
213 1 12 ASN H 1 12 ASN QB . . 2.800 2.156 2.058 2.292 . 0 0 "[ . 1 . 2 .]" 1
214 1 12 ASN H 1 17 GLU H . . 3.770 7.666 7.142 8.356 4.586 4 25 [***+***********-*********] 1
215 1 12 ASN H 1 18 SER HA . . 3.120 11.009 10.648 11.434 8.314 22 25 [***************-*****+***] 1
216 1 12 ASN HA 1 12 ASN QB . . 2.690 2.518 2.327 2.591 . 0 0 "[ . 1 . 2 .]" 1
217 1 12 ASN QB 1 15 LYS H . . 3.550 2.526 2.059 3.092 . 0 0 "[ . 1 . 2 .]" 1
218 1 12 ASN QB 1 16 ALA H . . 4.270 4.095 3.746 4.493 0.223 4 0 "[ . 1 . 2 .]" 1
219 1 12 ASN QB 1 17 GLU H . . 3.840 6.196 5.619 7.089 3.249 4 25 [***+***********-*********] 1
220 1 12 ASN HD22 1 14 ASN H . . 4.130 3.530 2.115 4.217 0.087 15 0 "[ . 1 . 2 .]" 1
221 1 12 ASN HD22 1 14 ASN QB . . 6.000 3.278 2.097 4.069 . 0 0 "[ . 1 . 2 .]" 1
222 1 13 GLN HA 1 13 GLN HB2 . . 2.440 2.454 2.287 2.561 0.121 8 0 "[ . 1 . 2 .]" 1
223 1 13 GLN HA 1 13 GLN HB3 . . 2.830 3.038 2.976 3.068 0.238 18 0 "[ . 1 . 2 .]" 1
224 1 13 GLN HA 1 13 GLN QG . . 3.190 2.974 2.565 3.235 0.045 9 0 "[ . 1 . 2 .]" 1
225 1 13 GLN HB3 1 14 ASN H . . 3.370 2.512 2.110 3.160 . 0 0 "[ . 1 . 2 .]" 1
226 1 14 ASN H 1 14 ASN HA . . 3.080 2.795 2.661 2.903 . 0 0 "[ . 1 . 2 .]" 1
227 1 14 ASN H 1 14 ASN QB . . 2.620 2.127 2.065 2.216 . 0 0 "[ . 1 . 2 .]" 1
228 1 14 ASN H 1 15 LYS H . . 2.720 2.848 2.467 2.999 0.279 6 0 "[ . 1 . 2 .]" 1
229 1 14 ASN H 1 16 ALA H . . 3.910 4.126 3.807 4.535 0.625 17 2 "[ . 1 - + 2 .]" 1
230 1 14 ASN HA 1 14 ASN QB . . 2.400 2.548 2.508 2.616 0.216 8 0 "[ . 1 . 2 .]" 1
231 1 14 ASN HA 1 15 LYS H . . 3.830 3.542 3.432 3.621 . 0 0 "[ . 1 . 2 .]" 1
232 1 14 ASN QB 1 15 LYS H . . 3.080 2.665 2.310 3.044 . 0 0 "[ . 1 . 2 .]" 1
233 1 15 LYS H 1 15 LYS HA . . 3.050 2.935 2.827 3.027 . 0 0 "[ . 1 . 2 .]" 1
234 1 15 LYS H 1 16 ALA H . . 2.620 2.407 2.021 2.691 0.071 21 0 "[ . 1 . 2 .]" 1
235 1 15 LYS H 1 16 ALA HA . . 4.490 5.052 4.662 5.427 0.937 21 21 "[****.** ** ********+-***]" 1
236 1 16 ALA H 1 16 ALA HA . . 2.400 2.825 2.759 2.900 0.500 21 1 "[ . 1 . 2+ .]" 1
237 1 16 ALA H 1 17 GLU H . . 2.870 2.806 2.628 3.141 0.271 12 0 "[ . 1 . 2 .]" 1
238 1 16 ALA HA 1 17 GLU H . . 3.230 3.575 3.501 3.628 0.398 5 0 "[ . 1 . 2 .]" 1
239 1 17 GLU H 1 17 GLU HA . . 2.870 2.921 2.782 2.985 0.115 9 0 "[ . 1 . 2 .]" 1
240 1 17 GLU H 1 17 GLU QB . . 3.000 2.716 2.402 2.906 . 0 0 "[ . 1 . 2 .]" 1
241 1 17 GLU H 1 17 GLU QG . . 3.190 2.025 1.882 2.219 . 0 0 "[ . 1 . 2 .]" 1
242 1 17 GLU HA 1 18 SER H . . 2.540 3.572 3.546 3.638 1.098 17 25 [**-*************+********] 1
243 1 17 GLU QB 1 18 SER H . . 2.830 3.380 3.306 3.503 0.673 21 23 "[-********* *********+** *]" 1
244 1 18 SER H 1 18 SER HA . . 2.870 2.839 2.762 2.927 0.057 21 0 "[ . 1 . 2 .]" 1
245 1 18 SER H 1 18 SER QB . . 2.580 2.312 2.202 2.427 . 0 0 "[ . 1 . 2 .]" 1
246 1 18 SER HA 1 19 ASN H . . 2.510 3.613 3.498 3.672 1.162 25 25 [****************-*******+] 1
247 1 18 SER QB 1 19 ASN H . . 3.880 2.360 2.069 3.068 . 0 0 "[ . 1 . 2 .]" 1
248 1 19 ASN H 1 19 ASN QB . . 3.120 2.219 2.118 2.278 . 0 0 "[ . 1 . 2 .]" 1
249 1 19 ASN HA 1 19 ASN QB . . 2.620 2.451 2.381 2.525 . 0 0 "[ . 1 . 2 .]" 1
250 1 19 ASN QB 1 20 SER H . . 3.300 2.736 2.081 2.974 . 0 0 "[ . 1 . 2 .]" 1
251 1 20 SER H 1 20 SER HA . . 2.870 2.921 2.872 2.966 0.096 21 0 "[ . 1 . 2 .]" 1
252 1 20 SER HA 1 21 HIS H . . 2.470 3.500 3.291 3.568 1.098 4 25 [***+************-********] 1
253 1 21 HIS H 1 21 HIS HA . . 3.050 2.803 2.710 2.974 . 0 0 "[ . 1 . 2 .]" 1
254 1 21 HIS H 1 21 HIS QB . . 3.050 2.327 2.133 2.442 . 0 0 "[ . 1 . 2 .]" 1
255 1 21 HIS HA 1 21 HIS QB . . 2.540 2.508 2.424 2.546 0.006 7 0 "[ . 1 . 2 .]" 1
256 1 21 HIS HA 1 22 HIS H . . 2.640 3.590 3.526 3.661 1.021 21 25 [************-*******+****] 1
257 1 21 HIS QB 1 22 HIS H . . 3.260 2.809 2.605 2.897 . 0 0 "[ . 1 . 2 .]" 1
258 1 22 HIS H 1 22 HIS QB . . 2.830 2.804 2.776 2.852 0.022 21 0 "[ . 1 . 2 .]" 1
259 1 22 HIS H 1 22 HIS HD2 . . 4.600 2.578 2.365 3.040 . 0 0 "[ . 1 . 2 .]" 1
260 1 9 LEU QD 1 22 HIS H . . 7.030 14.659 14.127 15.177 8.147 18 25 [-****************+*******] 1
261 1 22 HIS HA 1 22 HIS QB . . 2.760 2.184 2.167 2.202 . 0 0 "[ . 1 . 2 .]" 1
262 1 9 LEU H 1 22 HIS HA . . 2.440 23.044 22.285 24.116 21.676 17 25 [*************-**+********] 1
263 1 22 HIS QB 1 22 HIS HD2 . . 3.550 3.098 2.884 3.193 . 0 0 "[ . 1 . 2 .]" 1
264 1 9 LEU H 1 9 LEU HG . . 5.100 3.134 2.142 3.765 . 0 0 "[ . 1 . 2 .]" 1
265 1 9 LEU H 1 10 LEU H . . 5.460 4.444 4.355 4.566 . 0 0 "[ . 1 . 2 .]" 1
266 1 9 LEU HA 1 9 LEU HG . . 2.440 2.986 2.407 3.956 1.516 23 10 "[ * * * 1 . ** ***+ -]" 1
267 1 9 LEU HA 1 9 LEU QD . . 3.430 2.611 2.098 3.374 . 0 0 "[ . 1 . 2 .]" 1
268 1 9 LEU HA 1 10 LEU QD . . 6.880 3.087 2.248 4.176 . 0 0 "[ . 1 . 2 .]" 1
269 1 9 LEU HA 1 11 TYR QE . . 8.130 5.204 4.796 5.600 . 0 0 "[ . 1 . 2 .]" 1
270 1 9 LEU HA 1 106 ALA MB . . 7.030 6.607 6.082 7.043 0.013 2 0 "[ . 1 . 2 .]" 1
271 1 9 LEU QB 1 9 LEU HG . . 2.470 2.465 2.122 2.600 0.130 8 0 "[ . 1 . 2 .]" 1
272 1 9 LEU QB 1 11 TYR QE . . 6.150 3.070 2.275 3.600 . 0 0 "[ . 1 . 2 .]" 1
273 1 9 LEU QB 1 106 ALA MB . . 4.980 4.323 3.475 5.071 0.091 13 0 "[ . 1 . 2 .]" 1
274 1 9 LEU HG 1 10 LEU H . . 6.000 4.797 4.258 5.418 . 0 0 "[ . 1 . 2 .]" 1
275 1 9 LEU HG 1 11 TYR QD . . 8.140 6.659 5.712 7.209 . 0 0 "[ . 1 . 2 .]" 1
276 1 9 LEU HG 1 11 TYR QE . . 6.620 5.134 3.887 5.993 . 0 0 "[ . 1 . 2 .]" 1
277 1 9 LEU QD 1 10 LEU H . . 5.980 3.528 2.670 4.326 . 0 0 "[ . 1 . 2 .]" 1
278 1 9 LEU QD 1 11 TYR QE . . 8.620 3.301 2.254 4.306 . 0 0 "[ . 1 . 2 .]" 1
279 1 9 LEU QD 1 11 TYR HH . . 4.690 2.982 2.130 4.202 . 0 0 "[ . 1 . 2 .]" 1
280 1 9 LEU QD 1 87 PRO QB . . 4.940 4.023 2.392 5.518 0.578 21 1 "[ . 1 . 2+ .]" 1
281 1 9 LEU QD 1 105 PRO QB . . 4.720 4.591 2.351 6.436 1.716 13 9 "[** *. * * +-. *2 * .]" 1
282 1 9 LEU QD 1 105 PRO QG . . 3.430 3.232 1.966 4.950 1.520 13 6 "[ * *. * * + . -2 .]" 1
283 1 9 LEU QD 1 105 PRO QD . . 6.420 3.741 2.569 5.157 . 0 0 "[ . 1 . 2 .]" 1
284 1 10 LEU H 1 10 LEU HG . . 5.470 3.949 2.564 4.380 . 0 0 "[ . 1 . 2 .]" 1
285 1 10 LEU H 1 10 LEU QD . . 5.050 2.462 1.845 3.311 . 0 0 "[ . 1 . 2 .]" 1
286 1 10 LEU HA 1 10 LEU HG . . 3.990 2.977 2.277 4.239 0.249 11 0 "[ . 1 . 2 .]" 1
287 1 10 LEU HA 1 10 LEU QD . . 3.900 2.433 2.049 3.070 . 0 0 "[ . 1 . 2 .]" 1
288 1 10 LEU HA 1 11 TYR QB . . 4.420 4.212 4.082 4.325 . 0 0 "[ . 1 . 2 .]" 1
289 1 10 LEU HA 1 11 TYR QD . . 4.790 3.841 2.967 4.093 . 0 0 "[ . 1 . 2 .]" 1
290 1 10 LEU QD 1 11 TYR H . . 4.940 3.742 2.457 4.229 . 0 0 "[ . 1 . 2 .]" 1
291 1 11 TYR HA 1 87 PRO HA . . 3.050 2.932 2.456 3.184 0.134 6 0 "[ . 1 . 2 .]" 1
292 1 11 TYR QB 1 13 GLN H . . 4.490 4.863 4.634 5.023 0.533 5 3 "[ + * .- 2 .]" 1
293 1 11 TYR QB 1 85 THR MG . . 5.950 3.073 2.476 3.418 . 0 0 "[ . 1 . 2 .]" 1
294 1 11 TYR QB 1 120 ILE MG . . 7.030 3.343 2.388 3.581 . 0 0 "[ . 1 . 2 .]" 1
295 1 11 TYR QB 1 120 ILE MD . . 4.490 3.037 2.701 3.265 . 0 0 "[ . 1 . 2 .]" 1
296 1 11 TYR QD 1 85 THR MG . . 6.580 3.417 2.785 3.827 . 0 0 "[ . 1 . 2 .]" 1
297 1 11 TYR QD 1 86 PHE HA . . 8.140 3.545 3.079 4.043 . 0 0 "[ . 1 . 2 .]" 1
298 1 11 TYR QD 1 87 PRO HA . . 8.140 3.198 2.469 3.810 . 0 0 "[ . 1 . 2 .]" 1
299 1 11 TYR QD 1 120 ILE MG . . 9.170 3.169 2.493 3.585 . 0 0 "[ . 1 . 2 .]" 1
300 1 11 TYR QD 1 120 ILE MD . . 8.920 4.303 3.952 4.651 . 0 0 "[ . 1 . 2 .]" 1
301 1 11 TYR QE 1 85 THR MG . . 8.550 4.172 3.620 4.536 . 0 0 "[ . 1 . 2 .]" 1
302 1 11 TYR QE 1 87 PRO HG2 . . 8.130 4.767 4.272 5.152 . 0 0 "[ . 1 . 2 .]" 1
303 1 11 TYR QE 1 87 PRO HD3 . . 6.300 2.223 2.006 2.431 . 0 0 "[ . 1 . 2 .]" 1
304 1 11 TYR QE 1 87 PRO HD2 . . 8.130 3.939 3.725 4.086 . 0 0 "[ . 1 . 2 .]" 1
305 1 11 TYR QE 1 106 ALA MB . . 6.820 2.163 2.052 2.284 . 0 0 "[ . 1 . 2 .]" 1
306 1 11 TYR QE 1 107 ARG H . . 8.130 5.769 5.258 6.064 . 0 0 "[ . 1 . 2 .]" 1
307 1 11 TYR QE 1 120 ILE MG . . 9.160 3.925 3.210 4.425 . 0 0 "[ . 1 . 2 .]" 1
308 1 11 TYR QE 1 120 ILE MD . . 9.160 5.702 5.329 6.051 . 0 0 "[ . 1 . 2 .]" 1
309 1 11 TYR QE 1 122 ALA MB . . 9.160 4.123 3.171 4.439 . 0 0 "[ . 1 . 2 .]" 1
310 1 11 TYR QE 1 86 PHE HA . . 3.170 2.647 2.296 2.871 . 0 0 "[ . 1 . 2 .]" 1
311 1 11 TYR HH 1 86 PHE HA . . 4.850 4.282 3.925 4.411 . 0 0 "[ . 1 . 2 .]" 1
312 1 11 TYR HH 1 87 PRO HD3 . . 3.260 3.610 3.266 3.837 0.577 17 4 "[ -* .* 1 . + 2 .]" 1
313 1 11 TYR HH 1 87 PRO HD2 . . 6.000 5.202 4.905 5.409 . 0 0 "[ . 1 . 2 .]" 1
314 1 11 TYR HH 1 104 GLY QA . . 6.000 4.367 3.384 7.615 1.615 21 1 "[ . 1 . 2+ .]" 1
315 1 11 TYR HH 1 105 PRO QB . . 6.000 4.632 2.155 5.586 . 0 0 "[ . 1 . 2 .]" 1
316 1 11 TYR HH 1 106 ALA MB . . 4.000 2.993 2.526 3.376 . 0 0 "[ . 1 . 2 .]" 1
317 1 12 ASN H 1 12 ASN HD21 . . 6.000 4.664 4.310 5.036 . 0 0 "[ . 1 . 2 .]" 1
318 1 12 ASN HA 1 13 GLN H . . 2.650 2.198 2.162 2.233 . 0 0 "[ . 1 . 2 .]" 1
319 1 12 ASN HA 1 14 ASN H . . 5.420 4.029 3.548 4.455 . 0 0 "[ . 1 . 2 .]" 1
320 1 12 ASN QB 1 13 GLN H . . 5.100 3.844 3.736 3.964 . 0 0 "[ . 1 . 2 .]" 1
321 1 12 ASN HD22 1 14 ASN HD21 . . 5.600 4.775 3.551 6.214 0.614 13 1 "[ . 1 + . 2 .]" 1
322 1 13 GLN H 1 13 GLN HA . . 2.900 2.702 2.641 2.751 . 0 0 "[ . 1 . 2 .]" 1
323 1 13 GLN H 1 13 GLN HB2 . . 3.080 2.459 2.306 2.558 . 0 0 "[ . 1 . 2 .]" 1
324 1 13 GLN H 1 13 GLN HB3 . . 2.760 2.616 2.384 2.912 0.152 22 0 "[ . 1 . 2 .]" 1
325 1 13 GLN H 1 14 ASN H . . 3.700 3.047 2.834 3.282 . 0 0 "[ . 1 . 2 .]" 1
326 1 13 GLN H 1 16 ALA H . . 5.100 4.529 4.371 4.728 . 0 0 "[ . 1 . 2 .]" 1
327 1 13 GLN HA 1 14 ASN H . . 6.000 3.530 3.297 3.630 . 0 0 "[ . 1 . 2 .]" 1
328 1 13 GLN HA 1 16 ALA H . . 4.160 2.897 2.545 3.265 . 0 0 "[ . 1 . 2 .]" 1
329 1 13 GLN HA 1 16 ALA MB . . 3.750 2.129 1.973 2.368 . 0 0 "[ . 1 . 2 .]" 1
330 1 13 GLN HA 1 120 ILE MD . . 4.440 3.414 3.060 3.834 . 0 0 "[ . 1 . 2 .]" 1
331 1 13 GLN HB2 1 117 PHE QE . . 8.120 4.720 4.194 5.230 . 0 0 "[ . 1 . 2 .]" 1
332 1 13 GLN QG 1 14 ASN HA . . 4.780 3.606 3.207 4.211 . 0 0 "[ . 1 . 2 .]" 1
333 1 13 GLN QG 1 14 ASN QB . . 6.000 4.634 4.062 5.337 . 0 0 "[ . 1 . 2 .]" 1
334 1 13 GLN QG 1 117 PHE QE . . 6.790 3.416 2.688 3.990 . 0 0 "[ . 1 . 2 .]" 1
335 1 13 GLN QG 1 117 PHE HZ . . 4.200 3.790 3.204 4.267 0.067 21 0 "[ . 1 . 2 .]" 1
336 1 13 GLN QG 1 120 ILE MD . . 5.260 4.641 4.385 4.730 . 0 0 "[ . 1 . 2 .]" 1
337 1 13 GLN HE22 1 117 PHE QE . . 8.120 2.139 1.915 2.826 . 0 0 "[ . 1 . 2 .]" 1
338 1 14 ASN HA 1 17 GLU H . . 3.780 3.853 3.606 4.651 0.871 12 3 "[ - 1 + . 2 * .]" 1
339 1 14 ASN HA 1 17 GLU QG . . 3.440 2.419 2.087 3.189 . 0 0 "[ . 1 . 2 .]" 1
340 1 15 LYS H 1 15 LYS QB . . 3.120 2.144 2.034 2.301 . 0 0 "[ . 1 . 2 .]" 1
341 1 15 LYS H 1 15 LYS QG . . 3.190 3.496 3.225 3.759 0.569 21 2 "[ . 1 . 2+- .]" 1
342 1 15 LYS HA 1 15 LYS QB . . 2.650 2.551 2.500 2.587 . 0 0 "[ . 1 . 2 .]" 1
343 1 15 LYS HA 1 15 LYS QG . . 2.900 2.061 1.953 2.158 . 0 0 "[ . 1 . 2 .]" 1
344 1 15 LYS HA 1 16 ALA H . . 4.160 3.579 3.531 3.647 . 0 0 "[ . 1 . 2 .]" 1
345 1 15 LYS HA 1 18 SER H . . 3.770 3.199 2.862 3.648 . 0 0 "[ . 1 . 2 .]" 1
346 1 15 LYS QB 1 16 ALA H . . 3.300 2.841 2.577 2.992 . 0 0 "[ . 1 . 2 .]" 1
347 1 15 LYS QB 1 89 GLY HA2 . . 3.050 3.400 2.794 3.963 0.913 21 9 "[* *.* ** . - *2+* .]" 1
348 1 15 LYS QG 1 16 ALA H . . 6.000 4.519 4.349 4.596 . 0 0 "[ . 1 . 2 .]" 1
349 1 15 LYS QG 1 90 HIS HA . . 4.630 5.775 5.189 6.045 1.415 11 25 [**********+************-*] 1
350 1 16 ALA HA 1 19 ASN QB . . 3.590 3.323 2.650 3.643 0.053 25 0 "[ . 1 . 2 .]" 1
351 1 16 ALA HA 1 20 SER H . . 3.840 4.512 4.275 4.958 1.118 12 21 "[****.* ****+-*.***** ****]" 1
352 1 16 ALA HA 1 85 THR HB . . 6.000 2.770 2.370 3.176 . 0 0 "[ . 1 . 2 .]" 1
353 1 16 ALA HA 1 85 THR HG1 . . 3.230 3.023 1.829 4.004 0.774 4 1 "[ +. 1 . 2 .]" 1
354 1 16 ALA HA 1 108 VAL HB . . 3.730 3.120 2.875 3.192 . 0 0 "[ . 1 . 2 .]" 1
355 1 16 ALA HA 1 108 VAL MG1 . . 7.030 3.482 3.257 3.713 . 0 0 "[ . 1 . 2 .]" 1
356 1 16 ALA HA 1 108 VAL MG2 . . 7.030 3.919 3.513 4.168 . 0 0 "[ . 1 . 2 .]" 1
357 1 16 ALA MB 1 17 GLU H . . 4.510 2.455 1.954 2.789 . 0 0 "[ . 1 . 2 .]" 1
358 1 16 ALA MB 1 17 GLU HA . . 6.520 3.936 3.713 4.091 . 0 0 "[ . 1 . 2 .]" 1
359 1 16 ALA MB 1 17 GLU QG . . 6.780 3.662 3.093 4.411 . 0 0 "[ . 1 . 2 .]" 1
360 1 16 ALA MB 1 85 THR HB . . 5.980 4.034 3.391 4.588 . 0 0 "[ . 1 . 2 .]" 1
361 1 16 ALA MB 1 85 THR MG . . 5.030 2.576 2.115 3.283 . 0 0 "[ . 1 . 2 .]" 1
362 1 16 ALA MB 1 108 VAL H . . 6.560 4.609 4.189 4.832 . 0 0 "[ . 1 . 2 .]" 1
363 1 16 ALA MB 1 108 VAL HA . . 5.190 3.721 3.479 3.999 . 0 0 "[ . 1 . 2 .]" 1
364 1 16 ALA MB 1 108 VAL HB . . 3.570 2.356 2.044 2.647 . 0 0 "[ . 1 . 2 .]" 1
365 1 16 ALA MB 1 108 VAL MG1 . . 5.140 3.607 3.327 3.809 . 0 0 "[ . 1 . 2 .]" 1
366 1 16 ALA MB 1 108 VAL MG2 . . 5.460 2.717 2.391 2.971 . 0 0 "[ . 1 . 2 .]" 1
367 1 16 ALA MB 1 109 ILE H . . 7.030 5.261 5.046 5.569 . 0 0 "[ . 1 . 2 .]" 1
368 1 16 ALA MB 1 117 PHE QE . . 4.730 2.605 1.845 3.260 . 0 0 "[ . 1 . 2 .]" 1
369 1 16 ALA MB 1 117 PHE HZ . . 7.030 3.736 2.922 4.181 . 0 0 "[ . 1 . 2 .]" 1
370 1 16 ALA MB 1 120 ILE MG . . 7.010 3.979 3.643 4.606 . 0 0 "[ . 1 . 2 .]" 1
371 1 16 ALA MB 1 120 ILE MD . . 5.360 1.946 1.770 2.324 . 0 0 "[ . 1 . 2 .]" 1
372 1 17 GLU H 1 18 SER H . . 3.260 2.442 2.286 2.740 . 0 0 "[ . 1 . 2 .]" 1
373 1 17 GLU H 1 117 PHE QD . . 8.120 4.923 3.534 5.589 . 0 0 "[ . 1 . 2 .]" 1
374 1 17 GLU HA 1 17 GLU QB . . 2.400 2.157 2.117 2.186 . 0 0 "[ . 1 . 2 .]" 1
375 1 17 GLU HA 1 17 GLU QG . . 3.850 3.310 3.251 3.335 . 0 0 "[ . 1 . 2 .]" 1
376 1 17 GLU HA 1 20 SER H . . 3.840 3.648 3.233 3.887 0.047 13 0 "[ . 1 . 2 .]" 1
377 1 17 GLU HA 1 20 SER HG . . 3.730 2.850 2.178 4.683 0.953 13 2 "[ - 1 + . 2 .]" 1
378 1 17 GLU HA 1 21 HIS HD2 . . 5.960 3.700 3.550 4.042 . 0 0 "[ . 1 . 2 .]" 1
379 1 17 GLU HA 1 108 VAL MG2 . . 5.340 2.853 2.499 3.133 . 0 0 "[ . 1 . 2 .]" 1
380 1 17 GLU HA 1 117 PHE QB . . 4.090 4.330 3.685 5.102 1.012 3 4 "[ + . 1- *. 2 *]" 1
381 1 17 GLU HA 1 117 PHE QD . . 4.480 3.902 2.666 4.362 . 0 0 "[ . 1 . 2 .]" 1
382 1 17 GLU QB 1 117 PHE QB . . 6.000 3.344 2.989 3.688 . 0 0 "[ . 1 . 2 .]" 1
383 1 17 GLU QB 1 117 PHE QD . . 6.140 3.499 2.368 4.053 . 0 0 "[ . 1 . 2 .]" 1
384 1 17 GLU QB 1 17 GLU QG . . 2.400 2.089 1.994 2.124 . 0 0 "[ . 1 . 2 .]" 1
385 1 17 GLU QB 1 21 HIS HD2 . . 4.700 3.314 2.991 3.804 . 0 0 "[ . 1 . 2 .]" 1
386 1 17 GLU QB 1 21 HIS HE1 . . 5.930 4.297 4.186 4.496 . 0 0 "[ . 1 . 2 .]" 1
387 1 17 GLU QG 1 21 HIS HE1 . . 6.000 4.632 3.411 5.573 . 0 0 "[ . 1 . 2 .]" 1
388 1 17 GLU QG 1 117 PHE QB . . 6.000 5.089 4.605 5.418 . 0 0 "[ . 1 . 2 .]" 1
389 1 17 GLU QG 1 117 PHE QD . . 7.330 4.989 3.805 5.857 . 0 0 "[ . 1 . 2 .]" 1
390 1 17 GLU QG 1 18 SER H . . 3.910 1.943 1.808 2.143 . 0 0 "[ . 1 . 2 .]" 1
391 1 18 SER H 1 19 ASN H . . 3.120 2.824 2.626 2.972 . 0 0 "[ . 1 . 2 .]" 1
392 1 18 SER HA 1 21 HIS H . . 3.520 3.013 2.833 3.431 . 0 0 "[ . 1 . 2 .]" 1
393 1 18 SER HA 1 21 HIS QB . . 3.010 2.141 1.999 2.528 . 0 0 "[ . 1 . 2 .]" 1
394 1 18 SER HA 1 21 HIS HD2 . . 5.060 3.939 3.491 4.243 . 0 0 "[ . 1 . 2 .]" 1
395 1 18 SER HA 1 22 HIS HD2 . . 6.000 4.424 4.106 5.279 . 0 0 "[ . 1 . 2 .]" 1
396 1 18 SER QB 1 20 SER H . . 4.630 4.432 4.195 5.339 0.709 5 1 "[ + 1 . 2 .]" 1
397 1 19 ASN H 1 19 ASN HA . . 3.010 2.782 2.687 2.881 . 0 0 "[ . 1 . 2 .]" 1
398 1 19 ASN H 1 20 SER H . . 3.260 2.715 2.411 2.833 . 0 0 "[ . 1 . 2 .]" 1
399 1 19 ASN QB 1 83 PHE QD . . 7.110 3.233 2.401 3.971 . 0 0 "[ . 1 . 2 .]" 1
400 1 19 ASN QB 1 83 PHE QE . . 8.120 3.390 2.688 4.193 . 0 0 "[ . 1 . 2 .]" 1
401 1 19 ASN QB 1 108 VAL MG1 . . 6.920 3.760 2.600 4.516 . 0 0 "[ . 1 . 2 .]" 1
402 1 19 ASN QB 1 85 THR HG1 . . 5.930 3.116 1.898 4.964 . 0 0 "[ . 1 . 2 .]" 1
403 1 19 ASN QD 1 90 HIS HA . . 5.500 5.265 3.881 6.760 1.260 17 4 "[ . - 1 * + *2 .]" 1
404 1 19 ASN QD 1 91 ASP HA . . 5.350 2.229 1.841 3.419 . 0 0 "[ . 1 . 2 .]" 1
405 1 20 SER H 1 20 SER QB . . 3.010 2.259 2.054 2.578 . 0 0 "[ . 1 . 2 .]" 1
406 1 20 SER H 1 108 VAL MG1 . . 6.600 3.638 2.594 4.215 . 0 0 "[ . 1 . 2 .]" 1
407 1 20 SER HA 1 20 SER QB . . 2.540 2.134 2.100 2.157 . 0 0 "[ . 1 . 2 .]" 1
408 1 20 SER HA 1 20 SER HG . . 4.060 3.709 2.917 4.034 . 0 0 "[ . 1 . 2 .]" 1
409 1 20 SER HA 1 21 HIS HA . . 4.750 4.933 4.754 5.010 0.260 13 0 "[ . 1 . 2 .]" 1
410 1 20 SER HA 1 23 ALA H . . 4.380 2.996 2.820 3.310 . 0 0 "[ . 1 . 2 .]" 1
411 1 20 SER HA 1 23 ALA MB . . 4.400 2.033 1.940 2.165 . 0 0 "[ . 1 . 2 .]" 1
412 1 20 SER HA 1 108 VAL MG1 . . 4.650 3.721 3.524 3.837 . 0 0 "[ . 1 . 2 .]" 1
413 1 20 SER HA 1 108 VAL MG2 . . 7.030 5.323 4.750 5.753 . 0 0 "[ . 1 . 2 .]" 1
414 1 20 SER HA 1 110 TYR QD . . 8.140 5.818 4.834 6.228 . 0 0 "[ . 1 . 2 .]" 1
415 1 20 SER HA 1 110 TYR QE . . 7.560 4.308 3.266 4.848 . 0 0 "[ . 1 . 2 .]" 1
416 1 20 SER HA 1 110 TYR HH . . 6.000 4.934 3.865 5.588 . 0 0 "[ . 1 . 2 .]" 1
417 1 20 SER QB 1 21 HIS HD2 . . 5.140 4.303 3.992 4.665 . 0 0 "[ . 1 . 2 .]" 1
418 1 20 SER QB 1 22 HIS H . . 4.450 5.040 4.866 5.478 1.028 17 13 "[ ** * ** * +- *** **]" 1
419 1 20 SER QB 1 23 ALA MB . . 7.030 3.202 2.929 3.434 . 0 0 "[ . 1 . 2 .]" 1
420 1 20 SER QB 1 108 VAL MG1 . . 4.360 1.911 1.801 2.228 . 0 0 "[ . 1 . 2 .]" 1
421 1 20 SER QB 1 108 VAL MG2 . . 4.540 2.963 2.324 3.484 . 0 0 "[ . 1 . 2 .]" 1
422 1 20 SER QB 1 110 TYR QD . . 7.380 3.490 2.663 3.790 . 0 0 "[ . 1 . 2 .]" 1
423 1 20 SER QB 1 110 TYR QE . . 7.450 2.540 1.968 2.925 . 0 0 "[ . 1 . 2 .]" 1
424 1 20 SER QB 1 115 LYS QG . . 4.670 4.152 2.626 4.830 0.160 3 0 "[ . 1 . 2 .]" 1
425 1 20 SER QB 1 117 PHE QD . . 7.080 5.299 4.190 5.891 . 0 0 "[ . 1 . 2 .]" 1
426 1 20 SER HG 1 21 HIS HD2 . . 4.450 2.976 2.346 4.021 . 0 0 "[ . 1 . 2 .]" 1
427 1 21 HIS H 1 22 HIS H . . 2.870 2.838 2.595 2.939 0.069 18 0 "[ . 1 . 2 .]" 1
428 1 21 HIS H 1 115 LYS QD . . 5.750 4.749 4.052 5.204 . 0 0 "[ . 1 . 2 .]" 1
429 1 21 HIS HA 1 21 HIS HD2 . . 3.480 2.491 2.372 2.701 . 0 0 "[ . 1 . 2 .]" 1
430 1 21 HIS HA 1 22 HIS HD2 . . 6.000 4.836 4.594 5.275 . 0 0 "[ . 1 . 2 .]" 1
431 1 21 HIS HA 1 115 LYS QD . . 3.440 3.337 3.191 3.582 0.142 16 0 "[ . 1 . 2 .]" 1
432 1 21 HIS QB 1 22 HIS HD2 . . 4.560 2.649 2.478 2.974 . 0 0 "[ . 1 . 2 .]" 1
433 1 21 HIS QB 1 115 LYS QB . . 6.000 6.184 5.819 6.411 0.411 9 0 "[ . 1 . 2 .]" 1
434 1 21 HIS HD2 1 110 TYR QD . . 7.740 6.219 5.744 6.617 . 0 0 "[ . 1 . 2 .]" 1
435 1 21 HIS HD2 1 115 LYS QB . . 4.740 4.043 3.711 4.210 . 0 0 "[ . 1 . 2 .]" 1
436 1 21 HIS HD2 1 115 LYS QG . . 4.810 4.770 4.439 5.046 0.236 10 0 "[ . 1 . 2 .]" 1
437 1 21 HIS HD2 1 115 LYS QD . . 3.950 3.419 3.080 3.772 . 0 0 "[ . 1 . 2 .]" 1
438 1 22 HIS H 1 23 ALA H . . 2.980 2.499 2.338 2.577 . 0 0 "[ . 1 . 2 .]" 1
439 1 22 HIS H 1 23 ALA MB . . 7.030 3.989 3.874 4.092 . 0 0 "[ . 1 . 2 .]" 1
440 1 22 HIS HA 1 22 HIS HD2 . . 3.120 3.111 2.995 3.338 0.218 17 0 "[ . 1 . 2 .]" 1
441 1 22 HIS HA 1 23 ALA H . . 4.880 3.585 3.539 3.616 . 0 0 "[ . 1 . 2 .]" 1
442 1 22 HIS QB 1 23 ALA H . . 3.590 2.656 2.530 2.869 . 0 0 "[ . 1 . 2 .]" 1
443 1 22 HIS HD2 1 91 ASP QB . . 6.000 6.260 5.630 7.556 1.556 11 5 "[ - . 1+ * 2 **]" 1
444 1 23 ALA H 1 23 ALA HA . . 3.120 2.644 2.610 2.711 . 0 0 "[ . 1 . 2 .]" 1
445 1 23 ALA HA 1 24 PRO QG . . 5.420 3.911 3.880 4.028 . 0 0 "[ . 1 . 2 .]" 1
446 1 23 ALA HA 1 24 PRO QD . . 2.690 1.962 1.909 2.115 . 0 0 "[ . 1 . 2 .]" 1
447 1 23 ALA HA 1 83 PHE QE . . 8.120 3.696 2.729 4.126 . 0 0 "[ . 1 . 2 .]" 1
448 1 23 ALA HA 1 83 PHE HZ . . 6.000 3.718 2.904 4.395 . 0 0 "[ . 1 . 2 .]" 1
449 1 23 ALA HA 1 94 PHE QD . . 6.970 3.824 3.521 4.455 . 0 0 "[ . 1 . 2 .]" 1
450 1 23 ALA HA 1 94 PHE QE . . 6.790 2.734 2.232 3.749 . 0 0 "[ . 1 . 2 .]" 1
451 1 23 ALA HA 1 94 PHE HZ . . 6.000 3.513 3.304 3.803 . 0 0 "[ . 1 . 2 .]" 1
452 1 23 ALA MB 1 24 PRO QB . . 7.030 4.896 4.817 4.960 . 0 0 "[ . 1 . 2 .]" 1
453 1 23 ALA MB 1 24 PRO QD . . 4.180 2.657 2.495 2.780 . 0 0 "[ . 1 . 2 .]" 1
454 1 23 ALA MB 1 35 PRO QB . . 6.670 3.205 2.996 3.395 . 0 0 "[ . 1 . 2 .]" 1
455 1 23 ALA MB 1 35 PRO HG2 . . 7.030 3.259 3.066 3.495 . 0 0 "[ . 1 . 2 .]" 1
456 1 23 ALA MB 1 35 PRO HG3 . . 4.580 1.947 1.868 2.092 . 0 0 "[ . 1 . 2 .]" 1
457 1 23 ALA MB 1 35 PRO QD . . 4.720 2.091 1.966 2.487 . 0 0 "[ . 1 . 2 .]" 1
458 1 23 ALA MB 1 83 PHE HB2 . . 5.910 3.666 3.258 3.785 . 0 0 "[ . 1 . 2 .]" 1
459 1 23 ALA MB 1 83 PHE QD . . 8.970 2.866 2.070 3.117 . 0 0 "[ . 1 . 2 .]" 1
460 1 23 ALA MB 1 83 PHE QE . . 8.390 2.465 2.143 2.718 . 0 0 "[ . 1 . 2 .]" 1
461 1 23 ALA MB 1 83 PHE HZ . . 5.840 2.928 2.460 3.750 . 0 0 "[ . 1 . 2 .]" 1
462 1 23 ALA MB 1 94 PHE QD . . 9.150 4.120 3.761 4.488 . 0 0 "[ . 1 . 2 .]" 1
463 1 23 ALA MB 1 94 PHE QE . . 8.470 3.846 3.582 4.116 . 0 0 "[ . 1 . 2 .]" 1
464 1 23 ALA MB 1 110 TYR QE . . 9.160 3.863 3.437 4.240 . 0 0 "[ . 1 . 2 .]" 1
465 1 23 ALA MB 1 110 TYR HH . . 5.120 3.141 2.711 3.551 . 0 0 "[ . 1 . 2 .]" 1
466 1 24 PRO HA 1 25 LEU H . . 2.400 2.144 2.110 2.265 . 0 0 "[ . 1 . 2 .]" 1
467 1 24 PRO QB 1 24 PRO QD . . 3.010 2.991 2.945 3.023 0.013 6 0 "[ . 1 . 2 .]" 1
468 1 24 PRO QB 1 26 SER HA . . 5.500 5.674 5.436 5.853 0.353 16 0 "[ . 1 . 2 .]" 1
469 1 24 PRO QB 1 26 SER HB3 . . 4.960 4.601 4.331 5.145 0.185 16 0 "[ . 1 . 2 .]" 1
470 1 24 PRO QB 1 26 SER HB2 . . 4.340 3.135 2.894 3.593 . 0 0 "[ . 1 . 2 .]" 1
471 1 24 PRO QB 1 35 PRO QD . . 3.550 4.186 4.035 4.762 1.212 16 24 "[***** ********-+*********]" 1
472 1 24 PRO QG 1 35 PRO QD . . 4.340 2.871 2.661 3.672 . 0 0 "[ . 1 . 2 .]" 1
473 1 24 PRO QG 1 83 PHE QE . . 8.120 5.326 4.999 5.851 . 0 0 "[ . 1 . 2 .]" 1
474 1 24 PRO QG 1 94 PHE QD . . 5.350 3.767 3.625 4.130 . 0 0 "[ . 1 . 2 .]" 1
475 1 24 PRO QG 1 94 PHE QE . . 5.570 3.747 3.356 4.156 . 0 0 "[ . 1 . 2 .]" 1
476 1 24 PRO QG 1 94 PHE HZ . . 5.210 5.876 5.505 6.062 0.852 21 24 "[******-********* ***+****]" 1
477 1 24 PRO QD 1 30 THR MG . . 4.180 2.221 1.998 2.395 . 0 0 "[ . 1 . 2 .]" 1
478 1 24 PRO QD 1 35 PRO HG2 . . 4.990 3.529 3.109 4.130 . 0 0 "[ . 1 . 2 .]" 1
479 1 24 PRO QD 1 35 PRO QD . . 4.960 1.965 1.874 2.498 . 0 0 "[ . 1 . 2 .]" 1
480 1 24 PRO QD 1 83 PHE QD . . 8.120 4.831 4.105 5.273 . 0 0 "[ . 1 . 2 .]" 1
481 1 24 PRO QD 1 94 PHE QD . . 6.970 2.981 2.723 3.672 . 0 0 "[ . 1 . 2 .]" 1
482 1 24 PRO QD 1 94 PHE QE . . 6.470 2.342 2.049 3.243 . 0 0 "[ . 1 . 2 .]" 1
483 1 24 PRO QD 1 94 PHE HZ . . 5.100 4.204 3.915 4.314 . 0 0 "[ . 1 . 2 .]" 1
484 1 25 LEU H 1 25 LEU HB3 . . 2.870 3.020 2.815 3.123 0.253 13 0 "[ . 1 . 2 .]" 1
485 1 25 LEU H 1 25 LEU HB2 . . 3.500 2.087 2.018 2.203 . 0 0 "[ . 1 . 2 .]" 1
486 1 25 LEU H 1 25 LEU HG . . 3.080 4.524 3.757 4.636 1.556 21 25 [************-*******+****] 1
487 1 25 LEU HA 1 25 LEU HB2 . . 2.650 2.782 2.646 2.878 0.228 17 0 "[ . 1 . 2 .]" 1
488 1 25 LEU HA 1 25 LEU HG . . 3.300 2.915 2.358 3.028 . 0 0 "[ . 1 . 2 .]" 1
489 1 25 LEU HA 1 25 LEU QD . . 3.500 1.921 1.878 2.156 . 0 0 "[ . 1 . 2 .]" 1
490 1 25 LEU HA 1 81 LEU MD2 . . 6.240 4.159 2.729 5.207 . 0 0 "[ . 1 . 2 .]" 1
491 1 25 LEU HA 1 110 TYR QE . . 8.130 4.177 3.850 4.594 . 0 0 "[ . 1 . 2 .]" 1
492 1 25 LEU HA 1 115 LYS QE . . 5.570 4.155 3.560 4.838 . 0 0 "[ . 1 . 2 .]" 1
493 1 25 LEU HB3 1 25 LEU HG . . 2.690 2.386 2.313 2.907 0.217 13 0 "[ . 1 . 2 .]" 1
494 1 25 LEU HB3 1 26 SER H . . 4.240 4.282 3.987 4.386 0.146 4 0 "[ . 1 . 2 .]" 1
495 1 25 LEU HB3 1 112 TYR QE . . 6.800 3.251 2.303 3.833 . 0 0 "[ . 1 . 2 .]" 1
496 1 25 LEU HB2 1 26 SER HB2 . . 6.000 5.829 5.613 6.071 0.071 16 0 "[ . 1 . 2 .]" 1
497 1 25 LEU HG 1 112 TYR HD2 . . 4.860 2.120 1.969 4.557 . 0 0 "[ . 1 . 2 .]" 1
498 1 25 LEU HG 1 112 TYR HE2 . . 4.870 3.238 2.099 3.805 . 0 0 "[ . 1 . 2 .]" 1
499 1 25 LEU HG 1 115 LYS QD . . 2.810 4.710 3.350 6.023 3.213 16 25 [************-**+*********] 1
500 1 25 LEU HG 1 115 LYS QE . . 3.000 3.605 2.150 3.994 0.994 17 24 "[************ ***+**-*****]" 1
501 1 25 LEU QD 1 110 TYR QE . . 4.980 2.092 1.929 2.629 . 0 0 "[ . 1 . 2 .]" 1
502 1 25 LEU QD 1 112 TYR QE . . 6.170 3.260 2.042 3.741 . 0 0 "[ . 1 . 2 .]" 1
503 1 25 LEU QD 1 112 TYR HD2 . . 5.130 2.789 1.962 3.022 . 0 0 "[ . 1 . 2 .]" 1
504 1 25 LEU QD 1 113 PRO HA . . 3.750 2.551 2.130 2.838 . 0 0 "[ . 1 . 2 .]" 1
505 1 25 LEU QD 1 113 PRO QB . . 4.000 2.584 2.245 2.959 . 0 0 "[ . 1 . 2 .]" 1
506 1 25 LEU QD 1 115 LYS QD . . 4.150 2.178 1.875 3.190 . 0 0 "[ . 1 . 2 .]" 1
507 1 25 LEU QD 1 115 LYS QE . . 4.470 1.645 1.572 1.843 . 0 0 "[ . 1 . 2 .]" 1
508 1 25 LEU QD 1 112 TYR HA . . 4.980 3.338 3.083 3.592 . 0 0 "[ . 1 . 2 .]" 1
509 1 25 LEU QD 1 112 TYR HB2 . . 5.230 3.366 2.806 3.547 . 0 0 "[ . 1 . 2 .]" 1
510 1 26 SER H 1 26 SER HB3 . . 3.370 3.774 3.654 3.918 0.548 15 1 "[ . 1 + 2 .]" 1
511 1 26 SER H 1 35 PRO HG3 . . 6.000 4.518 4.024 5.098 . 0 0 "[ . 1 . 2 .]" 1
512 1 26 SER H 1 81 LEU MD2 . . 6.490 3.284 2.124 4.480 . 0 0 "[ . 1 . 2 .]" 1
513 1 26 SER HA 1 26 SER HB3 . . 2.690 2.751 2.553 2.898 0.208 17 0 "[ . 1 . 2 .]" 1
514 1 26 SER HA 1 26 SER HB2 . . 2.690 2.957 2.868 3.028 0.338 8 0 "[ . 1 . 2 .]" 1
515 1 26 SER HA 1 27 ASP H . . 2.540 2.424 2.255 2.635 0.095 12 0 "[ . 1 . 2 .]" 1
516 1 26 SER HA 1 27 ASP HA . . 6.000 4.441 4.349 4.569 . 0 0 "[ . 1 . 2 .]" 1
517 1 26 SER HA 1 112 TYR QE . . 8.130 4.416 3.543 5.083 . 0 0 "[ . 1 . 2 .]" 1
518 1 26 SER HB3 1 30 THR MG . . 7.030 4.645 4.259 4.899 . 0 0 "[ . 1 . 2 .]" 1
519 1 26 SER HB3 1 81 LEU MD2 . . 6.020 5.174 4.302 6.899 0.879 16 5 "[ . - *1 .+* 2 *]" 1
520 1 26 SER HB2 1 27 ASP H . . 3.620 3.955 3.734 4.124 0.504 16 1 "[ . 1 .+ 2 .]" 1
521 1 26 SER HB2 1 29 LYS HG2 . . 6.000 5.190 2.179 6.304 0.304 10 0 "[ . 1 . 2 .]" 1
522 1 26 SER HB2 1 112 TYR QE . . 8.130 6.259 5.429 6.984 . 0 0 "[ . 1 . 2 .]" 1
523 1 26 SER HG 1 30 THR MG . . 7.030 6.078 5.409 6.587 . 0 0 "[ . 1 . 2 .]" 1
524 1 27 ASP H 1 27 ASP QB . . 3.050 2.259 2.093 2.912 . 0 0 "[ . 1 . 2 .]" 1
525 1 27 ASP H 1 73 ASN QB . . 3.660 3.668 3.395 3.979 0.319 14 0 "[ . 1 . 2 .]" 1
526 1 27 ASP HA 1 28 GLY H . . 2.940 2.239 2.046 2.501 . 0 0 "[ . 1 . 2 .]" 1
527 1 27 ASP HA 1 36 HIS HA . . 2.790 2.203 1.852 2.795 0.005 16 0 "[ . 1 . 2 .]" 1
528 1 27 ASP HA 1 36 HIS QB . . 6.000 3.850 3.493 4.349 . 0 0 "[ . 1 . 2 .]" 1
529 1 27 ASP HA 1 37 TRP H . . 5.640 2.977 2.025 3.448 . 0 0 "[ . 1 . 2 .]" 1
530 1 27 ASP HA 1 37 TRP HB2 . . 5.210 4.025 3.094 4.889 . 0 0 "[ . 1 . 2 .]" 1
531 1 27 ASP HA 1 71 ASP QB . . 6.000 8.438 7.786 9.315 3.315 12 25 [**-********+*************] 1
532 1 27 ASP HA 1 81 LEU QB . . 4.520 4.074 3.261 4.547 0.027 19 0 "[ . 1 . 2 .]" 1
533 1 27 ASP QB 1 36 HIS HA . . 4.490 3.592 2.821 4.598 0.108 16 0 "[ . 1 . 2 .]" 1
534 1 27 ASP QB 1 37 TRP HB3 . . 5.030 3.340 2.758 4.123 . 0 0 "[ . 1 . 2 .]" 1
535 1 27 ASP QB 1 72 GLY QA . . 2.500 2.007 1.842 2.419 . 0 0 "[ . 1 . 2 .]" 1
536 1 27 ASP QB 1 81 LEU QB . . 4.850 4.378 3.241 4.842 . 0 0 "[ . 1 . 2 .]" 1
537 1 27 ASP QB 1 68 HIS HD2 . . 5.210 3.363 2.892 4.261 . 0 0 "[ . 1 . 2 .]" 1
538 1 27 ASP QB 1 71 ASP HA . . 5.060 6.315 5.305 6.996 1.936 22 24 "[** *****-************+***]" 1
539 1 27 ASP QB 1 72 GLY H . . 3.910 4.384 4.012 4.560 0.650 2 12 "[ +*** 1* **- **2** .]" 1
540 1 28 GLY H 1 29 LYS H . . 3.910 3.057 2.686 3.304 . 0 0 "[ . 1 . 2 .]" 1
541 1 28 GLY H 1 29 LYS HA . . 5.860 5.493 5.340 5.687 . 0 0 "[ . 1 . 2 .]" 1
542 1 28 GLY H 1 36 HIS HA . . 3.120 2.001 1.868 2.359 . 0 0 "[ . 1 . 2 .]" 1
543 1 28 GLY H 1 36 HIS QB . . 5.060 3.006 2.602 3.575 . 0 0 "[ . 1 . 2 .]" 1
544 1 28 GLY HA2 1 29 LYS H . . 3.480 2.388 2.254 2.571 . 0 0 "[ . 1 . 2 .]" 1
545 1 28 GLY HA2 1 36 HIS HA . . 5.240 3.668 2.848 4.447 . 0 0 "[ . 1 . 2 .]" 1
546 1 28 GLY HA3 1 29 LYS H . . 3.590 3.531 3.407 3.607 0.017 6 0 "[ . 1 . 2 .]" 1
547 1 29 LYS H 1 29 LYS HA . . 3.050 2.944 2.895 3.070 0.020 21 0 "[ . 1 . 2 .]" 1
548 1 29 LYS H 1 29 LYS HB3 . . 3.440 3.485 2.626 3.823 0.383 7 0 "[ . 1 . 2 .]" 1
549 1 29 LYS H 1 29 LYS HB2 . . 3.120 3.029 2.759 3.876 0.756 14 1 "[ . 1 +. 2 .]" 1
550 1 29 LYS H 1 29 LYS HG2 . . 4.270 4.282 2.802 4.551 0.281 22 0 "[ . 1 . 2 .]" 1
551 1 29 LYS H 1 30 THR H . . 2.940 2.166 1.919 2.623 . 0 0 "[ . 1 . 2 .]" 1
552 1 29 LYS H 1 30 THR MG . . 5.980 2.761 2.404 3.144 . 0 0 "[ . 1 . 2 .]" 1
553 1 29 LYS HA 1 29 LYS HB2 . . 2.900 2.794 2.293 2.999 0.099 8 0 "[ . 1 . 2 .]" 1
554 1 29 LYS HA 1 30 THR H . . 3.520 2.893 2.575 3.204 . 0 0 "[ . 1 . 2 .]" 1
555 1 29 LYS HB3 1 29 LYS HG2 . . 2.440 2.680 2.287 3.009 0.569 15 4 "[ . 1* - + * 2 .]" 1
556 1 29 LYS HB2 1 30 THR H . . 3.980 4.381 4.124 4.622 0.642 6 8 "[ ** .+ *1 *. - 2** .]" 1
557 1 30 THR H 1 30 THR MG . . 4.660 2.771 2.437 3.296 . 0 0 "[ . 1 . 2 .]" 1
558 1 30 THR H 1 33 SER QB . . 4.500 5.091 5.000 5.224 0.724 13 24 [*********-**+***********.] 1
559 1 30 THR HA 1 30 THR MG . . 3.430 2.438 2.147 2.635 . 0 0 "[ . 1 . 2 .]" 1
560 1 30 THR HA 1 31 GLY H . . 3.260 2.265 2.149 2.712 . 0 0 "[ . 1 . 2 .]" 1
561 1 30 THR HA 1 31 GLY QA . . 4.240 3.906 3.861 3.994 . 0 0 "[ . 1 . 2 .]" 1
562 1 30 THR HA 1 94 PHE QD . . 8.120 4.915 4.664 5.210 . 0 0 "[ . 1 . 2 .]" 1
563 1 30 THR HA 1 95 ASP HA . . 4.090 3.701 2.917 4.649 0.559 16 1 "[ . 1 .+ 2 .]" 1
564 1 30 THR HB 1 31 GLY H . . 3.120 2.843 2.159 3.046 . 0 0 "[ . 1 . 2 .]" 1
565 1 30 THR HB 1 31 GLY QA . . 6.000 4.312 4.077 4.506 . 0 0 "[ . 1 . 2 .]" 1
566 1 30 THR HB 1 32 SER H . . 3.840 3.589 3.321 3.893 0.053 16 0 "[ . 1 . 2 .]" 1
567 1 30 THR HB 1 33 SER H . . 4.450 3.637 2.989 4.098 . 0 0 "[ . 1 . 2 .]" 1
568 1 30 THR HB 1 94 PHE QB . . 6.000 3.260 2.040 3.981 . 0 0 "[ . 1 . 2 .]" 1
569 1 30 THR HB 1 94 PHE QD . . 5.710 2.926 2.591 3.524 . 0 0 "[ . 1 . 2 .]" 1
570 1 30 THR HB 1 94 PHE QE . . 6.790 4.995 4.579 5.669 . 0 0 "[ . 1 . 2 .]" 1
571 1 30 THR HB 1 95 ASP HA . . 3.410 2.945 2.095 4.443 1.033 16 2 "[ . 1 .+ 2 - .]" 1
572 1 30 THR MG 1 31 GLY H . . 6.740 3.959 3.430 4.201 . 0 0 "[ . 1 . 2 .]" 1
573 1 30 THR MG 1 31 GLY QA . . 4.470 5.121 4.810 5.244 0.774 3 22 "[**+******1***** *******-]" 1
574 1 30 THR MG 1 35 PRO QD . . 4.940 2.034 1.894 2.455 . 0 0 "[ . 1 . 2 .]" 1
575 1 30 THR MG 1 94 PHE QD . . 6.130 2.786 2.350 3.291 . 0 0 "[ . 1 . 2 .]" 1
576 1 30 THR MG 1 94 PHE QE . . 6.590 4.095 3.632 4.715 . 0 0 "[ . 1 . 2 .]" 1
577 1 30 THR MG 1 94 PHE HZ . . 6.240 6.031 5.685 6.217 . 0 0 "[ . 1 . 2 .]" 1
578 1 30 THR MG 1 95 ASP HA . . 7.030 4.102 3.480 4.805 . 0 0 "[ . 1 . 2 .]" 1
579 1 31 GLY H 1 32 SER H . . 3.840 3.112 2.441 3.413 . 0 0 "[ . 1 . 2 .]" 1
580 1 31 GLY H 1 95 ASP HA . . 2.980 2.458 1.909 2.910 . 0 0 "[ . 1 . 2 .]" 1
581 1 31 GLY QA 1 32 SER H . . 3.260 2.503 2.322 2.677 . 0 0 "[ . 1 . 2 .]" 1
582 1 31 GLY QA 1 32 SER HA . . 4.060 3.998 3.932 4.077 0.017 21 0 "[ . 1 . 2 .]" 1
583 1 31 GLY QA 1 95 ASP HA . . 3.120 3.446 3.104 3.689 0.569 3 7 "[ *+ .- *1 * *. 2* .]" 1
584 1 31 GLY QA 1 97 LYS QB . . 3.480 2.266 2.011 2.725 . 0 0 "[ . 1 . 2 .]" 1
585 1 32 SER H 1 32 SER QB . . 3.120 2.268 2.091 2.436 . 0 0 "[ . 1 . 2 .]" 1
586 1 32 SER H 1 33 SER H . . 2.980 2.802 2.592 2.940 . 0 0 "[ . 1 . 2 .]" 1
587 1 32 SER H 1 95 ASP HA . . 3.480 3.656 3.147 4.603 1.123 16 2 "[ . 1 .+ 2 - .]" 1
588 1 32 SER H 1 97 LYS HA . . 3.710 3.454 3.148 3.530 . 0 0 "[ . 1 . 2 .]" 1
589 1 32 SER HA 1 32 SER QB . . 2.620 2.347 2.234 2.570 . 0 0 "[ . 1 . 2 .]" 1
590 1 32 SER HA 1 33 SER H . . 4.090 3.572 3.227 3.626 . 0 0 "[ . 1 . 2 .]" 1
591 1 32 SER HA 1 96 SER QB . . 6.880 6.125 5.739 6.543 . 0 0 "[ . 1 . 2 .]" 1
592 1 32 SER HA 1 97 LYS HA . . 3.300 2.739 2.118 3.253 . 0 0 "[ . 1 . 2 .]" 1
593 1 32 SER HA 1 100 LYS QB . . 3.550 3.477 2.752 4.630 1.080 9 3 "[ . +- * 2 .]" 1
594 1 32 SER HA 1 100 LYS QG . . 2.690 4.238 2.309 5.108 2.418 19 22 "[******** 1****.***+-*****]" 1
595 1 32 SER HA 1 100 LYS QD . . 3.700 3.088 1.997 4.615 0.915 14 7 "[- . * 1 *+. * 2 * *]" 1
596 1 32 SER HA 1 100 LYS QE . . 3.190 3.001 1.893 3.628 0.438 4 0 "[ . 1 . 2 .]" 1
597 1 32 SER QB 1 100 LYS QD . . 6.000 3.146 2.065 4.361 . 0 0 "[ . 1 . 2 .]" 1
598 1 32 SER QB 1 94 PHE QD . . 6.140 4.650 4.560 4.850 . 0 0 "[ . 1 . 2 .]" 1
599 1 32 SER QB 1 95 ASP H . . 4.380 4.366 3.997 4.591 0.211 21 0 "[ . 1 . 2 .]" 1
600 1 32 SER QB 1 96 SER H . . 6.000 4.395 3.950 4.743 . 0 0 "[ . 1 . 2 .]" 1
601 1 33 SER H 1 33 SER QB . . 2.920 3.319 3.154 3.544 0.624 24 9 "[** -* * *1 . * 2 * +.]" 1
602 1 33 SER H 1 34 TYR H . . 3.620 2.702 2.377 3.404 . 0 0 "[ . 1 . 2 .]" 1
603 1 33 SER HA 1 33 SER QB . . 2.650 2.370 2.157 2.574 . 0 0 "[ . 1 . 2 .]" 1
604 1 33 SER QB 1 34 TYR H . . 3.340 2.685 2.263 3.148 . 0 0 "[ . 1 . 2 .]" 1
605 1 33 SER QB 1 100 LYS QD . . 4.580 5.100 4.095 6.393 1.813 25 13 "[* . * *1 *******2 -* +]" 1
606 1 34 TYR H 1 34 TYR QB . . 2.900 2.449 2.258 2.567 . 0 0 "[ . 1 . 2 .]" 1
607 1 34 TYR HA 1 35 PRO HA . . 2.650 2.229 2.090 2.393 . 0 0 "[ . 1 . 2 .]" 1
608 1 34 TYR HA 1 35 PRO QB . . 4.380 3.951 3.866 4.102 . 0 0 "[ . 1 . 2 .]" 1
609 1 34 TYR HA 1 36 HIS H . . 4.090 3.377 2.910 3.845 . 0 0 "[ . 1 . 2 .]" 1
610 1 34 TYR HA 1 36 HIS QB . . 4.630 3.096 2.843 3.334 . 0 0 "[ . 1 . 2 .]" 1
611 1 34 TYR HA 1 36 HIS HD2 . . 5.390 3.581 2.607 5.905 0.515 3 1 "[ + . 1 . 2 .]" 1
612 1 34 TYR QB 1 35 PRO HA . . 3.160 2.184 2.043 2.422 . 0 0 "[ . 1 . 2 .]" 1
613 1 34 TYR QB 1 36 HIS HD2 . . 6.000 4.207 3.358 7.003 1.003 3 1 "[ + . 1 . 2 .]" 1
614 1 34 TYR QB 1 83 PHE HA . . 4.880 2.795 2.494 3.241 . 0 0 "[ . 1 . 2 .]" 1
615 1 34 TYR QB 1 83 PHE QD . . 5.890 2.407 2.056 3.657 . 0 0 "[ . 1 . 2 .]" 1
616 1 34 TYR QB 1 83 PHE QE . . 8.120 2.972 2.415 3.991 . 0 0 "[ . 1 . 2 .]" 1
617 1 34 TYR QB 1 94 PHE QB . . 2.400 2.851 2.440 3.414 1.014 16 11 "[ * *. * * * -+ * * * *.]" 1
618 1 34 TYR QD 1 35 PRO QB . . 7.920 4.376 3.767 4.638 . 0 0 "[ . 1 . 2 .]" 1
619 1 34 TYR QD 1 36 HIS HE1 . . 6.000 4.465 3.774 4.719 . 0 0 "[ . 1 . 2 .]" 1
620 1 34 TYR QD 1 82 GLU QG . . 7.020 2.955 2.806 3.021 . 0 0 "[ . 1 . 2 .]" 1
621 1 34 TYR QD 1 83 PHE QE . . 10.260 5.018 4.543 5.701 . 0 0 "[ . 1 . 2 .]" 1
622 1 34 TYR QD 1 84 PRO QG . . 8.140 2.828 2.650 3.308 . 0 0 "[ . 1 . 2 .]" 1
623 1 34 TYR QD 1 84 PRO HD2 . . 7.130 3.633 3.273 3.906 . 0 0 "[ . 1 . 2 .]" 1
624 1 34 TYR QD 1 84 PRO HD3 . . 8.070 2.249 2.035 2.645 . 0 0 "[ . 1 . 2 .]" 1
625 1 34 TYR QD 1 94 PHE HA . . 8.140 4.658 4.311 5.810 . 0 0 "[ . 1 . 2 .]" 1
626 1 34 TYR QD 1 100 LYS QD . . 8.140 5.215 4.261 6.027 . 0 0 "[ . 1 . 2 .]" 1
627 1 34 TYR QD 1 100 LYS QE . . 8.140 4.710 3.563 5.615 . 0 0 "[ . 1 . 2 .]" 1
628 1 34 TYR QD 1 107 ARG QG . . 8.140 4.993 4.815 5.436 . 0 0 "[ . 1 . 2 .]" 1
629 1 34 TYR QE 1 35 PRO HA . . 8.130 5.240 4.582 5.486 . 0 0 "[ . 1 . 2 .]" 1
630 1 34 TYR QE 1 82 GLU HB3 . . 8.130 6.154 5.542 6.348 . 0 0 "[ . 1 . 2 .]" 1
631 1 34 TYR QE 1 82 GLU QG . . 6.550 3.234 2.673 3.378 . 0 0 "[ . 1 . 2 .]" 1
632 1 34 TYR QE 1 84 PRO HA . . 8.130 5.586 5.120 5.864 . 0 0 "[ . 1 . 2 .]" 1
633 1 34 TYR QE 1 84 PRO QG . . 8.130 3.343 3.015 3.660 . 0 0 "[ . 1 . 2 .]" 1
634 1 34 TYR QE 1 86 PHE QD . . 10.250 8.322 8.017 8.491 . 0 0 "[ . 1 . 2 .]" 1
635 1 34 TYR QE 1 86 PHE HZ . . 8.130 6.683 6.140 7.077 . 0 0 "[ . 1 . 2 .]" 1
636 1 34 TYR QE 1 100 LYS QE . . 8.130 4.389 3.080 5.228 . 0 0 "[ . 1 . 2 .]" 1
637 1 34 TYR QE 1 103 PRO HA . . 8.130 4.256 3.442 5.559 . 0 0 "[ . 1 . 2 .]" 1
638 1 34 TYR QE 1 103 PRO QB . . 6.080 2.450 2.047 3.240 . 0 0 "[ . 1 . 2 .]" 1
639 1 34 TYR QE 1 103 PRO QG . . 8.130 3.290 2.082 4.051 . 0 0 "[ . 1 . 2 .]" 1
640 1 34 TYR QE 1 103 PRO QD . . 8.130 4.593 3.381 5.286 . 0 0 "[ . 1 . 2 .]" 1
641 1 34 TYR QE 1 107 ARG QG . . 6.580 4.485 4.219 4.976 . 0 0 "[ . 1 . 2 .]" 1
642 1 34 TYR QE 1 107 ARG QD . . 7.880 3.017 2.513 3.393 . 0 0 "[ . 1 . 2 .]" 1
643 1 34 TYR QE 1 100 LYS QD . . 5.920 5.145 4.316 5.459 . 0 0 "[ . 1 . 2 .]" 1
644 1 34 TYR QE 1 36 HIS HD2 . . 5.830 3.880 3.588 4.866 . 0 0 "[ . 1 . 2 .]" 1
645 1 34 TYR QE 1 36 HIS HE1 . . 5.210 3.019 2.149 3.481 . 0 0 "[ . 1 . 2 .]" 1
646 1 34 TYR QD 1 35 PRO HA . . 4.110 2.936 2.345 3.199 . 0 0 "[ . 1 . 2 .]" 1
647 1 34 TYR QD 1 36 HIS H . . 5.950 3.626 3.256 4.013 . 0 0 "[ . 1 . 2 .]" 1
648 1 34 TYR QD 1 83 PHE HA . . 4.560 3.005 2.741 3.170 . 0 0 "[ . 1 . 2 .]" 1
649 1 35 PRO HA 1 36 HIS H . . 2.980 2.402 2.089 2.732 . 0 0 "[ . 1 . 2 .]" 1
650 1 35 PRO HA 1 83 PHE HA . . 3.770 2.918 2.687 3.130 . 0 0 "[ . 1 . 2 .]" 1
651 1 35 PRO HA 1 83 PHE HB2 . . 5.500 3.937 3.684 4.433 . 0 0 "[ . 1 . 2 .]" 1
652 1 35 PRO HA 1 83 PHE QD . . 4.130 2.310 1.982 3.372 . 0 0 "[ . 1 . 2 .]" 1
653 1 35 PRO QB 1 35 PRO HG2 . . 2.400 2.218 2.006 2.289 . 0 0 "[ . 1 . 2 .]" 1
654 1 35 PRO QB 1 36 HIS H . . 3.840 2.497 2.033 2.975 . 0 0 "[ . 1 . 2 .]" 1
655 1 35 PRO QB 1 81 LEU QB . . 3.190 2.914 1.972 3.987 0.797 24 8 "[* * . * *1 .*- 2 +*]" 1
656 1 35 PRO QB 1 81 LEU MD2 . . 4.330 2.667 1.884 3.993 . 0 0 "[ . 1 . 2 .]" 1
657 1 35 PRO QB 1 83 PHE QD . . 5.820 2.079 1.931 2.288 . 0 0 "[ . 1 . 2 .]" 1
658 1 35 PRO QB 1 110 TYR QE . . 8.130 3.667 3.189 4.423 . 0 0 "[ . 1 . 2 .]" 1
659 1 35 PRO QB 1 110 TYR HH . . 6.000 2.936 2.216 3.740 . 0 0 "[ . 1 . 2 .]" 1
660 1 35 PRO QB 1 81 LEU MD1 . . 7.030 3.436 1.767 4.679 . 0 0 "[ . 1 . 2 .]" 1
661 1 35 PRO HG2 1 81 LEU QB . . 4.520 4.365 3.544 5.510 0.990 24 2 "[ . - 1 . 2 +.]" 1
662 1 35 PRO HG2 1 81 LEU MD2 . . 5.950 3.435 2.341 4.980 . 0 0 "[ . 1 . 2 .]" 1
663 1 35 PRO HG3 1 83 PHE QD . . 8.120 3.113 2.133 3.560 . 0 0 "[ . 1 . 2 .]" 1
664 1 35 PRO HG3 1 110 TYR HH . . 3.950 2.839 2.166 3.425 . 0 0 "[ . 1 . 2 .]" 1
665 1 35 PRO QD 1 83 PHE QE . . 5.920 2.327 2.117 2.526 . 0 0 "[ . 1 . 2 .]" 1
666 1 36 HIS H 1 36 HIS QB . . 2.940 3.257 3.147 3.374 0.434 25 0 "[ . 1 . 2 .]" 1
667 1 36 HIS H 1 81 LEU QB . . 5.600 3.532 2.970 4.349 . 0 0 "[ . 1 . 2 .]" 1
668 1 36 HIS H 1 82 GLU H . . 4.170 3.124 2.803 3.598 . 0 0 "[ . 1 . 2 .]" 1
669 1 36 HIS H 1 82 GLU QG . . 6.000 3.498 3.186 3.709 . 0 0 "[ . 1 . 2 .]" 1
670 1 36 HIS HA 1 36 HIS QB . . 2.800 2.151 2.070 2.180 . 0 0 "[ . 1 . 2 .]" 1
671 1 36 HIS HA 1 81 LEU QB . . 4.700 4.273 3.871 4.490 . 0 0 "[ . 1 . 2 .]" 1
672 1 36 HIS QB 1 37 TRP H . . 3.410 2.388 2.074 2.805 . 0 0 "[ . 1 . 2 .]" 1
673 1 36 HIS HD2 1 38 PHE HA . . 6.000 5.535 3.209 6.826 0.826 19 2 "[ . - 1 . +2 .]" 1
674 1 36 HIS HD2 1 82 GLU H . . 6.000 3.319 2.602 3.939 . 0 0 "[ . 1 . 2 .]" 1
675 1 36 HIS HD2 1 82 GLU QG . . 4.340 2.409 2.063 3.606 . 0 0 "[ . 1 . 2 .]" 1
676 1 36 HIS HE1 1 38 PHE HA . . 6.000 5.738 4.864 6.963 0.963 6 5 "[ - .+ 1 * 2** .]" 1
677 1 36 HIS HE1 1 38 PHE QB . . 5.750 6.296 5.517 7.491 1.741 6 12 "[ ** .+* *1 * ** - 2** *.]" 1
678 1 36 HIS HE1 1 131 LEU QD . . 7.450 6.092 4.909 7.745 0.295 22 0 "[ . 1 . 2 .]" 1
679 1 37 TRP H 1 37 TRP HB3 . . 3.120 2.311 2.211 2.480 . 0 0 "[ . 1 . 2 .]" 1
680 1 37 TRP H 1 81 LEU QB . . 5.530 4.656 3.921 5.146 . 0 0 "[ . 1 . 2 .]" 1
681 1 37 TRP HA 1 37 TRP HB2 . . 2.980 2.378 2.319 2.474 . 0 0 "[ . 1 . 2 .]" 1
682 1 37 TRP HA 1 37 TRP HD1 . . 3.120 2.677 2.483 2.943 . 0 0 "[ . 1 . 2 .]" 1
683 1 37 TRP HA 1 38 PHE H . . 2.540 2.153 1.987 2.312 . 0 0 "[ . 1 . 2 .]" 1
684 1 37 TRP HA 1 79 TYR QD . . 8.140 3.007 2.189 4.318 . 0 0 "[ . 1 . 2 .]" 1
685 1 37 TRP HA 1 79 TYR QE . . 8.130 3.348 2.676 4.292 . 0 0 "[ . 1 . 2 .]" 1
686 1 37 TRP HA 1 81 LEU HA . . 3.300 2.502 2.293 2.708 . 0 0 "[ . 1 . 2 .]" 1
687 1 37 TRP HA 1 81 LEU QB . . 3.730 3.239 2.296 3.824 0.094 18 0 "[ . 1 . 2 .]" 1
688 1 37 TRP HB3 1 37 TRP HE3 . . 3.880 2.331 2.265 2.398 . 0 0 "[ . 1 . 2 .]" 1
689 1 37 TRP HB3 1 68 HIS HD2 . . 4.700 3.701 2.848 4.679 . 0 0 "[ . 1 . 2 .]" 1
690 1 37 TRP HB3 1 68 HIS HE1 . . 6.000 5.450 4.172 6.377 0.377 17 0 "[ . 1 . 2 .]" 1
691 1 37 TRP HB2 1 37 TRP HE3 . . 3.480 3.653 3.544 3.769 0.289 23 0 "[ . 1 . 2 .]" 1
692 1 37 TRP HB2 1 39 THR MG . . 7.030 5.173 4.910 5.756 . 0 0 "[ . 1 . 2 .]" 1
693 1 37 TRP HB2 1 68 HIS HD2 . . 4.340 2.807 2.190 3.965 . 0 0 "[ . 1 . 2 .]" 1
694 1 37 TRP HB2 1 68 HIS HE1 . . 6.000 5.880 4.842 6.787 0.787 17 4 "[ . 1 . + -2 **]" 1
695 1 37 TRP HB2 1 79 TYR QE . . 7.880 2.692 2.029 3.682 . 0 0 "[ . 1 . 2 .]" 1
696 1 37 TRP HB2 1 81 LEU QB . . 6.000 4.898 3.767 5.566 . 0 0 "[ . 1 . 2 .]" 1
697 1 37 TRP HD1 1 38 PHE H . . 3.010 2.410 1.995 3.246 0.236 23 0 "[ . 1 . 2 .]" 1
698 1 37 TRP HD1 1 39 THR HA . . 4.700 4.596 4.457 4.669 . 0 0 "[ . 1 . 2 .]" 1
699 1 37 TRP HD1 1 68 HIS HD2 . . 5.570 4.318 3.312 5.199 . 0 0 "[ . 1 . 2 .]" 1
700 1 37 TRP HD1 1 79 TYR HA . . 5.210 3.957 3.450 4.473 . 0 0 "[ . 1 . 2 .]" 1
701 1 37 TRP HD1 1 79 TYR HB3 . . 3.980 3.786 3.331 4.089 0.109 16 0 "[ . 1 . 2 .]" 1
702 1 37 TRP HD1 1 79 TYR HB2 . . 3.800 2.176 2.072 2.347 . 0 0 "[ . 1 . 2 .]" 1
703 1 37 TRP HD1 1 79 TYR QD . . 4.190 2.208 2.000 2.559 . 0 0 "[ . 1 . 2 .]" 1
704 1 37 TRP HD1 1 80 LEU H . . 4.700 3.007 2.610 3.419 . 0 0 "[ . 1 . 2 .]" 1
705 1 37 TRP HD1 1 81 LEU H . . 5.210 5.188 4.822 5.513 0.303 23 0 "[ . 1 . 2 .]" 1
706 1 37 TRP HE3 1 39 THR MG . . 5.550 3.031 2.738 3.514 . 0 0 "[ . 1 . 2 .]" 1
707 1 37 TRP HE3 1 68 HIS HD2 . . 6.000 4.116 3.363 4.334 . 0 0 "[ . 1 . 2 .]" 1
708 1 37 TRP HE3 1 68 HIS HE1 . . 4.310 4.112 2.857 4.662 0.352 6 0 "[ . 1 . 2 .]" 1
709 1 37 TRP HE1 1 39 THR HA . . 3.880 2.992 2.830 3.240 . 0 0 "[ . 1 . 2 .]" 1
710 1 37 TRP HE1 1 66 PRO HB3 . . 6.000 3.200 2.674 3.786 . 0 0 "[ . 1 . 2 .]" 1
711 1 37 TRP HE1 1 68 HIS HD2 . . 6.000 5.157 4.173 5.885 . 0 0 "[ . 1 . 2 .]" 1
712 1 37 TRP HE1 1 79 TYR HA . . 6.000 3.640 3.238 4.075 . 0 0 "[ . 1 . 2 .]" 1
713 1 37 TRP HE1 1 79 TYR HB3 . . 6.000 3.834 2.682 4.650 . 0 0 "[ . 1 . 2 .]" 1
714 1 37 TRP HE1 1 79 TYR HB2 . . 4.560 2.572 2.007 3.192 . 0 0 "[ . 1 . 2 .]" 1
715 1 37 TRP HZ3 1 39 THR MG . . 4.940 2.634 2.355 3.025 . 0 0 "[ . 1 . 2 .]" 1
716 1 37 TRP HZ3 1 68 HIS HE1 . . 5.460 4.191 3.260 4.885 . 0 0 "[ . 1 . 2 .]" 1
717 1 37 TRP HZ2 1 39 THR HA . . 4.700 2.594 2.345 2.916 . 0 0 "[ . 1 . 2 .]" 1
718 1 37 TRP HZ2 1 39 THR HB . . 4.020 3.861 3.477 4.367 0.347 10 0 "[ . 1 . 2 .]" 1
719 1 37 TRP HZ2 1 39 THR MG . . 4.800 3.211 2.958 3.528 . 0 0 "[ . 1 . 2 .]" 1
720 1 37 TRP HZ2 1 42 TYR HB2 . . 4.670 2.957 2.603 3.248 . 0 0 "[ . 1 . 2 .]" 1
721 1 37 TRP HZ2 1 43 ASP HA . . 4.920 5.169 4.877 5.387 0.467 14 0 "[ . 1 . 2 .]" 1
722 1 37 TRP HZ2 1 44 GLY H . . 5.500 3.680 3.338 4.005 . 0 0 "[ . 1 . 2 .]" 1
723 1 37 TRP HZ2 1 44 GLY HA3 . . 4.310 4.136 3.295 4.561 0.251 17 0 "[ . 1 . 2 .]" 1
724 1 37 TRP HZ2 1 44 GLY HA2 . . 3.840 2.562 2.060 2.989 . 0 0 "[ . 1 . 2 .]" 1
725 1 37 TRP HZ2 1 66 PRO HB2 . . 5.820 4.042 3.652 4.335 . 0 0 "[ . 1 . 2 .]" 1
726 1 37 TRP HZ2 1 66 PRO QG . . 4.160 3.157 2.658 3.584 . 0 0 "[ . 1 . 2 .]" 1
727 1 37 TRP HZ2 1 68 HIS HB3 . . 4.380 3.704 2.965 4.871 0.491 19 0 "[ . 1 . 2 .]" 1
728 1 37 TRP HH2 1 39 THR HA . . 3.770 3.918 3.745 4.111 0.341 8 0 "[ . 1 . 2 .]" 1
729 1 37 TRP HH2 1 39 THR HB . . 4.670 3.817 3.407 4.347 . 0 0 "[ . 1 . 2 .]" 1
730 1 37 TRP HH2 1 39 THR MG . . 4.940 2.463 2.257 2.937 . 0 0 "[ . 1 . 2 .]" 1
731 1 37 TRP HH2 1 43 ASP HA . . 3.620 3.862 3.729 3.911 0.291 6 0 "[ . 1 . 2 .]" 1
732 1 37 TRP HH2 1 44 GLY H . . 3.800 3.735 3.628 3.805 0.005 25 0 "[ . 1 . 2 .]" 1
733 1 37 TRP HH2 1 44 GLY HA3 . . 4.740 3.359 2.446 3.674 . 0 0 "[ . 1 . 2 .]" 1
734 1 37 TRP HH2 1 44 GLY HA2 . . 4.130 2.244 2.033 2.946 . 0 0 "[ . 1 . 2 .]" 1
735 1 37 TRP HH2 1 68 HIS HB2 . . 5.710 4.994 3.750 5.331 . 0 0 "[ . 1 . 2 .]" 1
736 1 38 PHE H 1 38 PHE HA . . 3.080 2.946 2.889 2.981 . 0 0 "[ . 1 . 2 .]" 1
737 1 38 PHE H 1 38 PHE QB . . 3.260 2.294 2.133 2.463 . 0 0 "[ . 1 . 2 .]" 1
738 1 38 PHE H 1 81 LEU HA . . 3.770 2.483 1.938 2.859 . 0 0 "[ . 1 . 2 .]" 1
739 1 38 PHE H 1 81 LEU QB . . 6.000 4.184 3.720 4.719 . 0 0 "[ . 1 . 2 .]" 1
740 1 38 PHE H 1 82 GLU H . . 5.140 3.862 3.187 4.340 . 0 0 "[ . 1 . 2 .]" 1
741 1 38 PHE HA 1 38 PHE QB . . 2.720 2.394 2.342 2.500 . 0 0 "[ . 1 . 2 .]" 1
742 1 38 PHE HA 1 38 PHE HD1 . . 3.250 2.226 2.013 2.501 . 0 0 "[ . 1 . 2 .]" 1
743 1 38 PHE HA 1 39 THR H . . 2.650 2.325 2.082 2.401 . 0 0 "[ . 1 . 2 .]" 1
744 1 38 PHE HA 1 39 THR HB . . 6.000 5.645 5.449 5.709 . 0 0 "[ . 1 . 2 .]" 1
745 1 38 PHE HA 1 39 THR MG . . 5.520 3.951 3.753 4.241 . 0 0 "[ . 1 . 2 .]" 1
746 1 38 PHE HA 1 82 GLU HB3 . . 6.000 4.283 3.845 4.834 . 0 0 "[ . 1 . 2 .]" 1
747 1 38 PHE HA 1 82 GLU QG . . 6.000 4.562 4.320 4.983 . 0 0 "[ . 1 . 2 .]" 1
748 1 38 PHE QB 1 82 GLU H . . 6.000 2.469 2.005 3.164 . 0 0 "[ . 1 . 2 .]" 1
749 1 38 PHE QB 1 82 GLU HB3 . . 4.060 2.392 2.026 2.665 . 0 0 "[ . 1 . 2 .]" 1
750 1 38 PHE QB 1 82 GLU HB2 . . 4.990 4.028 3.656 4.286 . 0 0 "[ . 1 . 2 .]" 1
751 1 38 PHE QB 1 82 GLU QG . . 3.590 3.699 3.313 4.016 0.426 21 0 "[ . 1 . 2 .]" 1
752 1 38 PHE QB 1 109 ILE MG . . 6.990 3.279 3.011 3.849 . 0 0 "[ . 1 . 2 .]" 1
753 1 38 PHE QB 1 109 ILE MD . . 5.910 3.550 2.675 4.172 . 0 0 "[ . 1 . 2 .]" 1
754 1 38 PHE QB 1 110 TYR H . . 6.000 4.613 4.228 5.157 . 0 0 "[ . 1 . 2 .]" 1
755 1 38 PHE QB 1 80 LEU MD1 . . 7.030 4.269 3.704 4.602 . 0 0 "[ . 1 . 2 .]" 1
756 1 38 PHE QB 1 81 LEU QB . . 4.850 4.234 4.019 4.546 . 0 0 "[ . 1 . 2 .]" 1
757 1 38 PHE QB 1 82 GLU HA . . 5.530 3.810 3.362 4.332 . 0 0 "[ . 1 . 2 .]" 1
758 1 38 PHE QD 1 40 ASN HA . . 8.120 3.689 3.434 3.940 . 0 0 "[ . 1 . 2 .]" 1
759 1 38 PHE QD 1 40 ASN QB . . 7.620 2.769 2.295 3.304 . 0 0 "[ . 1 . 2 .]" 1
760 1 38 PHE QD 1 55 ILE MD . . 9.150 4.814 4.191 5.484 . 0 0 "[ . 1 . 2 .]" 1
761 1 38 PHE QD 1 79 TYR QE . . 10.250 7.987 7.650 8.316 . 0 0 "[ . 1 . 2 .]" 1
762 1 38 PHE QD 1 80 LEU QB . . 7.040 2.171 1.941 2.923 . 0 0 "[ . 1 . 2 .]" 1
763 1 38 PHE QD 1 80 LEU HG . . 8.120 4.729 4.194 5.849 . 0 0 "[ . 1 . 2 .]" 1
764 1 38 PHE QD 1 82 GLU QG . . 7.260 4.020 3.116 4.708 . 0 0 "[ . 1 . 2 .]" 1
765 1 38 PHE QD 1 109 ILE MG . . 7.390 2.155 1.992 2.429 . 0 0 "[ . 1 . 2 .]" 1
766 1 38 PHE QD 1 109 ILE MD . . 7.640 3.635 2.364 4.512 . 0 0 "[ . 1 . 2 .]" 1
767 1 38 PHE QD 1 121 ILE MD . . 8.860 3.309 2.975 3.827 . 0 0 "[ . 1 . 2 .]" 1
768 1 38 PHE QD 1 131 LEU QD . . 8.250 4.003 2.929 5.118 . 0 0 "[ . 1 . 2 .]" 1
769 1 38 PHE QE 1 40 ASN H . . 8.120 3.472 3.029 4.116 . 0 0 "[ . 1 . 2 .]" 1
770 1 38 PHE QE 1 40 ASN HA . . 5.460 2.843 2.359 3.268 . 0 0 "[ . 1 . 2 .]" 1
771 1 38 PHE QE 1 40 ASN QB . . 6.930 2.872 2.473 3.386 . 0 0 "[ . 1 . 2 .]" 1
772 1 38 PHE QE 1 40 ASN HD22 . . 8.050 4.046 3.372 4.497 . 0 0 "[ . 1 . 2 .]" 1
773 1 38 PHE QE 1 55 ILE HB . . 8.120 3.553 2.834 3.987 . 0 0 "[ . 1 . 2 .]" 1
774 1 38 PHE QE 1 55 ILE MD . . 7.820 3.070 2.168 3.700 . 0 0 "[ . 1 . 2 .]" 1
775 1 38 PHE QE 1 107 ARG QB . . 8.120 5.869 4.979 6.643 . 0 0 "[ . 1 . 2 .]" 1
776 1 38 PHE QE 1 107 ARG QD . . 7.080 7.078 5.947 7.796 0.716 17 4 "[* . 1 .-+ 2 *]" 1
777 1 38 PHE QE 1 109 ILE MG . . 9.150 2.286 2.020 3.001 . 0 0 "[ . 1 . 2 .]" 1
778 1 38 PHE QE 1 109 ILE MD . . 9.150 3.900 2.993 4.979 . 0 0 "[ . 1 . 2 .]" 1
779 1 38 PHE QE 1 121 ILE MG . . 9.150 3.236 2.634 3.609 . 0 0 "[ . 1 . 2 .]" 1
780 1 38 PHE QE 1 121 ILE QG . . 7.800 4.180 3.770 4.781 . 0 0 "[ . 1 . 2 .]" 1
781 1 38 PHE QE 1 121 ILE MD . . 7.100 2.294 1.936 2.917 . 0 0 "[ . 1 . 2 .]" 1
782 1 38 PHE QE 1 131 LEU QB . . 8.050 4.150 3.232 5.434 . 0 0 "[ . 1 . 2 .]" 1
783 1 38 PHE QE 1 131 LEU QD . . 6.670 2.532 1.858 3.542 . 0 0 "[ . 1 . 2 .]" 1
784 1 38 PHE HZ 1 40 ASN HA . . 3.840 2.891 2.572 3.317 . 0 0 "[ . 1 . 2 .]" 1
785 1 38 PHE HZ 1 55 ILE HB . . 4.880 3.683 3.012 5.144 0.264 7 0 "[ . 1 . 2 .]" 1
786 1 38 PHE HZ 1 55 ILE MG . . 6.990 4.327 3.774 5.256 . 0 0 "[ . 1 . 2 .]" 1
787 1 38 PHE HZ 1 55 ILE MD . . 3.970 2.177 1.955 2.826 . 0 0 "[ . 1 . 2 .]" 1
788 1 38 PHE HZ 1 57 PHE HZ . . 6.000 3.975 3.342 5.676 . 0 0 "[ . 1 . 2 .]" 1
789 1 38 PHE HZ 1 121 ILE MG . . 7.030 3.141 2.393 4.199 . 0 0 "[ . 1 . 2 .]" 1
790 1 38 PHE HZ 1 121 ILE MD . . 4.540 2.337 1.933 2.912 . 0 0 "[ . 1 . 2 .]" 1
791 1 38 PHE HZ 1 131 LEU QB . . 4.990 4.372 2.936 5.579 0.589 22 1 "[ . 1 . 2 + .]" 1
792 1 38 PHE HZ 1 131 LEU QD . . 4.510 3.432 2.123 4.671 0.161 19 0 "[ . 1 . 2 .]" 1
793 1 38 PHE HE2 1 57 PHE HZ . . 4.120 2.350 2.022 3.565 . 0 0 "[ . 1 . 2 .]" 1
794 1 38 PHE HD2 1 80 LEU QB . . 4.260 2.173 1.942 2.933 . 0 0 "[ . 1 . 2 .]" 1
795 1 38 PHE HD2 1 80 LEU MD1 . . 4.150 3.379 2.672 4.311 0.161 7 0 "[ . 1 . 2 .]" 1
796 1 39 THR H 1 39 THR MG . . 4.080 2.045 1.881 2.364 . 0 0 "[ . 1 . 2 .]" 1
797 1 39 THR H 1 40 ASN H . . 3.550 3.008 2.890 3.142 . 0 0 "[ . 1 . 2 .]" 1
798 1 39 THR HA 1 39 THR HB . . 2.810 2.506 2.435 2.636 . 0 0 "[ . 1 . 2 .]" 1
799 1 39 THR HA 1 40 ASN H . . 4.240 3.536 3.501 3.583 . 0 0 "[ . 1 . 2 .]" 1
800 1 39 THR HA 1 42 TYR H . . 4.200 3.952 3.538 4.287 0.087 23 0 "[ . 1 . 2 .]" 1
801 1 39 THR HB 1 41 GLY H . . 3.340 2.813 2.637 2.993 . 0 0 "[ . 1 . 2 .]" 1
802 1 39 THR HB 1 42 TYR H . . 3.730 3.451 2.638 3.714 . 0 0 "[ . 1 . 2 .]" 1
803 1 40 ASN H 1 40 ASN HA . . 2.650 2.296 2.227 2.495 . 0 0 "[ . 1 . 2 .]" 1
804 1 40 ASN H 1 41 GLY H . . 3.410 2.658 2.522 2.792 . 0 0 "[ . 1 . 2 .]" 1
805 1 40 ASN HA 1 41 GLY H . . 3.340 3.081 2.975 3.203 . 0 0 "[ . 1 . 2 .]" 1
806 1 40 ASN HA 1 42 TYR QD . . 5.960 4.899 4.097 5.197 . 0 0 "[ . 1 . 2 .]" 1
807 1 40 ASN HA 1 57 PHE HZ . . 6.000 5.378 4.753 6.452 0.452 7 0 "[ . 1 . 2 .]" 1
808 1 40 ASN QB 1 42 TYR QE . . 6.760 3.173 2.885 3.556 . 0 0 "[ . 1 . 2 .]" 1
809 1 40 ASN QB 1 42 TYR QD . . 3.910 2.359 2.187 2.545 . 0 0 "[ . 1 . 2 .]" 1
810 1 40 ASN QB 1 80 LEU MD1 . . 4.330 3.039 2.356 3.546 . 0 0 "[ . 1 . 2 .]" 1
811 1 40 ASN QB 1 80 LEU QB . . 2.800 3.215 2.898 3.366 0.566 3 10 "[ +*. * **- .** *2 *.]" 1
812 1 40 ASN HD22 1 54 PRO HA . . 6.000 3.919 3.144 4.425 . 0 0 "[ . 1 . 2 .]" 1
813 1 40 ASN HD22 1 55 ILE H . . 3.590 2.564 1.957 3.160 . 0 0 "[ . 1 . 2 .]" 1
814 1 40 ASN HD22 1 55 ILE HA . . 6.000 4.954 4.676 5.188 . 0 0 "[ . 1 . 2 .]" 1
815 1 40 ASN HD22 1 55 ILE HB . . 3.700 3.610 3.564 3.710 0.010 25 0 "[ . 1 . 2 .]" 1
816 1 40 ASN HD21 1 54 PRO QB . . 6.000 3.130 2.122 3.586 . 0 0 "[ . 1 . 2 .]" 1
817 1 40 ASN HD21 1 80 LEU MD1 . . 6.600 3.145 2.470 4.789 . 0 0 "[ . 1 . 2 .]" 1
818 1 41 GLY H 1 41 GLY QA . . 2.620 2.355 2.297 2.404 . 0 0 "[ . 1 . 2 .]" 1
819 1 41 GLY H 1 42 TYR H . . 3.410 2.632 2.071 2.884 . 0 0 "[ . 1 . 2 .]" 1
820 1 41 GLY QA 1 42 TYR H . . 4.130 2.840 2.761 2.991 . 0 0 "[ . 1 . 2 .]" 1
821 1 41 GLY QA 1 48 LEU QB . . 3.190 3.618 2.892 4.103 0.913 19 14 "[** *** * * * * +* ** -]" 1
822 1 41 GLY QA 1 48 LEU QD . . 5.480 2.028 1.782 2.654 . 0 0 "[ . 1 . 2 .]" 1
823 1 41 GLY QA 1 49 PRO QD . . 3.950 4.037 3.378 4.964 1.014 10 3 "[ *. - + . 2 .]" 1
824 1 41 GLY QA 1 54 PRO HA . . 4.270 3.475 2.857 4.073 . 0 0 "[ . 1 . 2 .]" 1
825 1 42 TYR H 1 42 TYR HB3 . . 3.260 3.517 3.469 3.628 0.368 21 0 "[ . 1 . 2 .]" 1
826 1 42 TYR H 1 42 TYR HB2 . . 3.750 2.390 2.226 2.681 . 0 0 "[ . 1 . 2 .]" 1
827 1 42 TYR HA 1 43 ASP H . . 2.510 2.348 2.146 2.519 0.009 8 0 "[ . 1 . 2 .]" 1
828 1 42 TYR HA 1 48 LEU HA . . 3.080 2.222 2.033 2.706 . 0 0 "[ . 1 . 2 .]" 1
829 1 42 TYR HA 1 48 LEU QB . . 3.520 3.019 2.060 4.014 0.494 1 0 "[ . 1 . 2 .]" 1
830 1 42 TYR HA 1 48 LEU HG . . 3.880 2.537 2.108 2.676 . 0 0 "[ . 1 . 2 .]" 1
831 1 42 TYR HA 1 48 LEU QD . . 4.650 2.874 2.016 3.499 . 0 0 "[ . 1 . 2 .]" 1
832 1 42 TYR HA 1 49 PRO QD . . 4.520 3.223 2.938 3.367 . 0 0 "[ . 1 . 2 .]" 1
833 1 42 TYR HB3 1 43 ASP H . . 3.410 2.575 2.092 2.961 . 0 0 "[ . 1 . 2 .]" 1
834 1 42 TYR HB3 1 48 LEU QB . . 6.000 5.317 4.383 6.112 0.112 19 0 "[ . 1 . 2 .]" 1
835 1 42 TYR HB3 1 66 PRO QG . . 5.240 2.834 2.511 3.204 . 0 0 "[ . 1 . 2 .]" 1
836 1 42 TYR HB2 1 66 PRO QG . . 4.960 2.729 2.521 2.905 . 0 0 "[ . 1 . 2 .]" 1
837 1 42 TYR QD 1 43 ASP H . . 6.740 3.534 3.235 4.011 . 0 0 "[ . 1 . 2 .]" 1
838 1 42 TYR QD 1 46 GLY QA . . 6.160 4.044 2.047 5.127 . 0 0 "[ . 1 . 2 .]" 1
839 1 42 TYR QD 1 48 LEU HG . . 5.870 2.900 2.095 3.457 . 0 0 "[ . 1 . 2 .]" 1
840 1 42 TYR QD 1 48 LEU QD . . 8.200 2.967 2.475 3.510 . 0 0 "[ . 1 . 2 .]" 1
841 1 42 TYR QD 1 65 PRO HA . . 8.140 4.075 3.484 4.587 . 0 0 "[ . 1 . 2 .]" 1
842 1 42 TYR QD 1 65 PRO QB . . 6.480 4.005 3.262 4.472 . 0 0 "[ . 1 . 2 .]" 1
843 1 42 TYR QD 1 65 PRO HG3 . . 7.380 6.390 5.689 6.974 . 0 0 "[ . 1 . 2 .]" 1
844 1 42 TYR QD 1 66 PRO QG . . 7.850 2.588 2.030 3.105 . 0 0 "[ . 1 . 2 .]" 1
845 1 42 TYR QD 1 66 PRO QD . . 6.050 2.620 2.082 2.914 . 0 0 "[ . 1 . 2 .]" 1
846 1 42 TYR QE 1 46 GLY QA . . 8.130 4.453 2.173 5.426 . 0 0 "[ . 1 . 2 .]" 1
847 1 42 TYR QE 1 47 LYS HA . . 8.130 2.463 2.004 4.316 . 0 0 "[ . 1 . 2 .]" 1
848 1 42 TYR QE 1 48 LEU HA . . 8.130 5.431 4.878 6.101 . 0 0 "[ . 1 . 2 .]" 1
849 1 42 TYR QE 1 48 LEU QB . . 8.060 5.186 4.721 5.741 . 0 0 "[ . 1 . 2 .]" 1
850 1 42 TYR QE 1 48 LEU HG . . 5.220 3.603 2.933 4.125 . 0 0 "[ . 1 . 2 .]" 1
851 1 42 TYR QE 1 48 LEU QD . . 7.830 2.929 2.117 3.524 . 0 0 "[ . 1 . 2 .]" 1
852 1 42 TYR QE 1 54 PRO HA . . 8.130 5.586 4.298 6.173 . 0 0 "[ . 1 . 2 .]" 1
853 1 42 TYR QE 1 54 PRO QB . . 6.010 3.371 2.276 4.212 . 0 0 "[ . 1 . 2 .]" 1
854 1 42 TYR QE 1 54 PRO QG . . 6.510 3.915 2.933 4.726 . 0 0 "[ . 1 . 2 .]" 1
855 1 42 TYR QE 1 54 PRO HD3 . . 7.160 5.966 4.844 6.735 . 0 0 "[ . 1 . 2 .]" 1
856 1 42 TYR QE 1 63 ASP H . . 8.130 6.816 5.975 7.486 . 0 0 "[ . 1 . 2 .]" 1
857 1 42 TYR QE 1 65 PRO HA . . 7.700 2.692 1.990 3.449 . 0 0 "[ . 1 . 2 .]" 1
858 1 42 TYR QE 1 65 PRO QB . . 5.970 2.669 2.066 3.705 . 0 0 "[ . 1 . 2 .]" 1
859 1 42 TYR QE 1 65 PRO HG2 . . 8.130 5.487 4.896 6.408 . 0 0 "[ . 1 . 2 .]" 1
860 1 42 TYR QE 1 65 PRO HG3 . . 7.740 4.676 4.129 5.568 . 0 0 "[ . 1 . 2 .]" 1
861 1 42 TYR QE 1 65 PRO HD2 . . 8.130 5.833 5.323 6.495 . 0 0 "[ . 1 . 2 .]" 1
862 1 42 TYR QE 1 66 PRO QD . . 6.840 2.605 2.288 2.817 . 0 0 "[ . 1 . 2 .]" 1
863 1 42 TYR QE 1 80 LEU MD1 . . 7.250 3.842 3.014 4.904 . 0 0 "[ . 1 . 2 .]" 1
864 1 42 TYR QD 1 48 LEU HA . . 5.390 3.879 3.039 4.513 . 0 0 "[ . 1 . 2 .]" 1
865 1 42 TYR HE1 1 48 LEU QD . . 5.110 3.074 2.131 3.754 . 0 0 "[ . 1 . 2 .]" 1
866 1 42 TYR HH 1 54 PRO QB . . 4.780 4.652 3.465 5.635 0.855 5 6 "[* *+ - 1* . * 2 .]" 1
867 1 42 TYR HH 1 63 ASP HA . . 4.520 4.379 3.341 5.850 1.330 5 4 "[ * *+ - 1 . 2 .]" 1
868 1 43 ASP H 1 43 ASP HB3 . . 3.980 3.297 3.234 3.373 . 0 0 "[ . 1 . 2 .]" 1
869 1 43 ASP H 1 43 ASP HB2 . . 3.880 2.134 2.088 2.254 . 0 0 "[ . 1 . 2 .]" 1
870 1 43 ASP H 1 45 ASP H . . 4.230 4.422 3.727 5.430 1.200 10 6 "[ . * +* *. - 2* .]" 1
871 1 43 ASP H 1 46 GLY QA . . 4.490 5.270 4.774 6.660 2.170 10 17 "[ **.-***+****.*** 2** *.]" 1
872 1 43 ASP H 1 48 LEU QD . . 7.030 4.570 3.935 5.122 . 0 0 "[ . 1 . 2 .]" 1
873 1 43 ASP HA 1 43 ASP HB3 . . 3.010 2.840 2.794 2.883 . 0 0 "[ . 1 . 2 .]" 1
874 1 43 ASP HA 1 43 ASP HB2 . . 3.010 2.948 2.928 2.970 . 0 0 "[ . 1 . 2 .]" 1
875 1 43 ASP HA 1 44 GLY H . . 3.610 3.515 3.378 3.587 . 0 0 "[ . 1 . 2 .]" 1
876 1 43 ASP HB3 1 44 GLY H . . 3.480 2.995 2.901 3.099 . 0 0 "[ . 1 . 2 .]" 1
877 1 43 ASP HB3 1 49 PRO QD . . 6.000 4.898 3.725 5.979 . 0 0 "[ . 1 . 2 .]" 1
878 1 43 ASP HB2 1 44 GLY H . . 3.520 3.007 2.931 3.154 . 0 0 "[ . 1 . 2 .]" 1
879 1 43 ASP HB2 1 48 LEU HA . . 5.500 3.803 3.114 5.023 . 0 0 "[ . 1 . 2 .]" 1
880 1 44 GLY H 1 44 GLY HA3 . . 3.010 2.831 2.719 3.020 0.010 7 0 "[ . 1 . 2 .]" 1
881 1 44 GLY H 1 45 ASP H . . 3.260 2.513 1.924 3.310 0.050 10 0 "[ . 1 . 2 .]" 1
882 1 44 GLY HA3 1 45 ASP H . . 3.880 2.682 2.281 3.605 . 0 0 "[ . 1 . 2 .]" 1
883 1 44 GLY HA2 1 45 ASP H . . 3.910 3.468 2.834 3.673 . 0 0 "[ . 1 . 2 .]" 1
884 1 44 GLY HA2 1 68 HIS H . . 4.700 4.277 3.214 4.713 0.013 13 0 "[ . 1 . 2 .]" 1
885 1 44 GLY HA2 1 68 HIS HB3 . . 4.420 2.865 2.297 3.252 . 0 0 "[ . 1 . 2 .]" 1
886 1 45 ASP H 1 45 ASP HB2 . . 3.120 2.426 2.098 3.049 . 0 0 "[ . 1 . 2 .]" 1
887 1 45 ASP H 1 45 ASP HB3 . . 3.340 3.367 3.302 3.500 0.160 17 0 "[ . 1 . 2 .]" 1
888 1 45 ASP HA 1 45 ASP HB2 . . 2.760 2.967 2.894 3.047 0.287 21 0 "[ . 1 . 2 .]" 1
889 1 45 ASP HA 1 45 ASP HB3 . . 3.100 2.780 2.237 2.922 . 0 0 "[ . 1 . 2 .]" 1
890 1 45 ASP HA 1 67 LYS HA . . 3.370 2.853 2.281 3.394 0.024 19 0 "[ . 1 . 2 .]" 1
891 1 45 ASP HA 1 67 LYS HB2 . . 5.170 5.077 4.582 6.023 0.853 7 2 "[ - . + 1 . 2 .]" 1
892 1 45 ASP HA 1 68 HIS H . . 3.780 2.844 2.506 3.095 . 0 0 "[ . 1 . 2 .]" 1
893 1 45 ASP HB2 1 46 GLY H . . 3.410 2.561 2.128 2.748 . 0 0 "[ . 1 . 2 .]" 1
894 1 45 ASP HB3 1 46 GLY H . . 2.940 2.255 1.913 2.649 . 0 0 "[ . 1 . 2 .]" 1
895 1 46 GLY H 1 47 LYS H . . 3.370 3.895 1.959 4.661 1.291 10 17 "[* * .* **+***-** * *** *]" 1
896 1 46 GLY QA 1 65 PRO QB . . 5.060 2.948 1.817 3.908 . 0 0 "[ . 1 . 2 .]" 1
897 1 47 LYS H 1 47 LYS QB . . 2.690 2.618 2.082 3.094 0.404 2 0 "[ . 1 . 2 .]" 1
898 1 47 LYS H 1 47 LYS QG . . 3.700 2.414 1.931 3.204 . 0 0 "[ . 1 . 2 .]" 1
899 1 47 LYS HA 1 47 LYS QB . . 2.580 2.250 2.114 2.566 . 0 0 "[ . 1 . 2 .]" 1
900 1 47 LYS HA 1 47 LYS QG . . 2.690 2.842 2.106 3.431 0.741 14 11 "[****. * * *+. 2- **]" 1
901 1 47 LYS HA 1 48 LEU H . . 2.400 2.611 2.203 2.858 0.458 25 0 "[ . 1 . 2 .]" 1
902 1 47 LYS QB 1 48 LEU H . . 2.870 2.135 1.885 2.891 0.021 23 0 "[ . 1 . 2 .]" 1
903 1 48 LEU H 1 48 LEU QB . . 3.010 2.739 2.356 2.959 . 0 0 "[ . 1 . 2 .]" 1
904 1 48 LEU H 1 48 LEU HG . . 3.050 2.680 2.069 3.204 0.154 17 0 "[ . 1 . 2 .]" 1
905 1 48 LEU HA 1 48 LEU HG . . 2.690 2.831 2.319 3.191 0.501 10 2 "[ . + -. 2 .]" 1
906 1 48 LEU HA 1 49 PRO QD . . 2.400 2.082 1.973 2.270 . 0 0 "[ . 1 . 2 .]" 1
907 1 48 LEU QB 1 49 PRO QD . . 3.880 1.996 1.850 2.317 . 0 0 "[ . 1 . 2 .]" 1
908 1 48 LEU QB 1 54 PRO HD3 . . 4.960 4.103 3.431 4.647 . 0 0 "[ . 1 . 2 .]" 1
909 1 48 LEU HG 1 49 PRO QD . . 4.340 4.010 3.330 4.278 . 0 0 "[ . 1 . 2 .]" 1
910 1 48 LEU QD 1 52 ARG H . . 6.920 4.484 3.944 5.063 . 0 0 "[ . 1 . 2 .]" 1
911 1 48 LEU QD 1 52 ARG QB . . 4.150 2.393 1.792 3.302 . 0 0 "[ . 1 . 2 .]" 1
912 1 48 LEU QD 1 52 ARG QG . . 5.800 2.457 1.807 3.632 . 0 0 "[ . 1 . 2 .]" 1
913 1 48 LEU QD 1 52 ARG QD . . 6.450 2.755 1.929 3.698 . 0 0 "[ . 1 . 2 .]" 1
914 1 48 LEU QD 1 54 PRO HA . . 7.030 3.287 2.600 4.021 . 0 0 "[ . 1 . 2 .]" 1
915 1 48 LEU QD 1 54 PRO QB . . 7.030 2.232 1.836 2.825 . 0 0 "[ . 1 . 2 .]" 1
916 1 48 LEU QD 1 54 PRO QG . . 4.290 1.916 1.785 2.260 . 0 0 "[ . 1 . 2 .]" 1
917 1 48 LEU QD 1 54 PRO HD2 . . 5.010 3.335 3.048 3.552 . 0 0 "[ . 1 . 2 .]" 1
918 1 48 LEU QD 1 54 PRO HD3 . . 4.180 2.118 1.863 2.377 . 0 0 "[ . 1 . 2 .]" 1
919 1 48 LEU QD 1 49 PRO HG2 . . 7.030 4.973 4.411 5.275 . 0 0 "[ . 1 . 2 .]" 1
920 1 48 LEU QD 1 49 PRO QD . . 7.030 3.172 2.534 3.426 . 0 0 "[ . 1 . 2 .]" 1
921 1 48 LEU QD 1 53 THR HA . . 5.590 3.600 3.157 3.837 . 0 0 "[ . 1 . 2 .]" 1
922 1 49 PRO HA 1 49 PRO HB2 . . 2.540 2.810 2.784 2.854 0.314 21 0 "[ . 1 . 2 .]" 1
923 1 49 PRO HA 1 49 PRO HB3 . . 2.580 2.271 2.202 2.298 . 0 0 "[ . 1 . 2 .]" 1
924 1 49 PRO HA 1 49 PRO HG2 . . 4.240 4.042 4.018 4.086 . 0 0 "[ . 1 . 2 .]" 1
925 1 49 PRO HA 1 49 PRO HG3 . . 4.240 3.918 3.897 3.953 . 0 0 "[ . 1 . 2 .]" 1
926 1 49 PRO HB3 1 50 LYS H . . 3.260 3.370 3.142 3.510 0.250 6 0 "[ . 1 . 2 .]" 1
927 1 49 PRO QD 1 52 ARG H . . 6.000 5.197 4.581 5.613 . 0 0 "[ . 1 . 2 .]" 1
928 1 49 PRO QD 1 52 ARG QB . . 4.490 2.449 1.991 2.800 . 0 0 "[ . 1 . 2 .]" 1
929 1 49 PRO QD 1 52 ARG QG . . 4.380 2.611 1.960 3.825 . 0 0 "[ . 1 . 2 .]" 1
930 1 50 LYS H 1 50 LYS HA . . 2.980 2.854 2.787 2.951 . 0 0 "[ . 1 . 2 .]" 1
931 1 50 LYS H 1 50 LYS QB . . 2.650 2.165 2.109 2.257 . 0 0 "[ . 1 . 2 .]" 1
932 1 50 LYS H 1 50 LYS HG2 . . 4.630 4.268 4.143 4.589 . 0 0 "[ . 1 . 2 .]" 1
933 1 50 LYS H 1 51 GLY H . . 4.420 4.161 4.057 4.229 . 0 0 "[ . 1 . 2 .]" 1
934 1 50 LYS HA 1 50 LYS QB . . 2.510 2.198 2.160 2.261 . 0 0 "[ . 1 . 2 .]" 1
935 1 50 LYS HA 1 50 LYS HG2 . . 3.520 3.483 2.596 3.841 0.321 23 0 "[ . 1 . 2 .]" 1
936 1 50 LYS HA 1 51 GLY H . . 2.540 2.175 2.117 2.221 . 0 0 "[ . 1 . 2 .]" 1
937 1 50 LYS QB 1 51 GLY H . . 3.410 3.970 3.896 4.027 0.617 10 23 "[****.****+******-*** ****]" 1
938 1 51 GLY H 1 52 ARG H . . 3.300 2.628 1.947 3.039 . 0 0 "[ . 1 . 2 .]" 1
939 1 51 GLY QA 1 52 ARG H . . 3.260 2.422 2.234 2.768 . 0 0 "[ . 1 . 2 .]" 1
940 1 51 GLY QA 1 52 ARG QB . . 3.910 4.038 3.863 4.268 0.358 4 0 "[ . 1 . 2 .]" 1
941 1 52 ARG H 1 52 ARG QB . . 2.650 2.851 2.515 3.141 0.491 19 0 "[ . 1 . 2 .]" 1
942 1 52 ARG H 1 52 ARG QG . . 3.700 4.084 3.723 4.275 0.575 17 10 "[** ** 1- * . + * * *]" 1
943 1 52 ARG H 1 53 THR H . . 4.520 4.328 4.231 4.474 . 0 0 "[ . 1 . 2 .]" 1
944 1 52 ARG HA 1 52 ARG QB . . 2.580 2.481 2.182 2.588 0.008 21 0 "[ . 1 . 2 .]" 1
945 1 52 ARG HA 1 52 ARG QG . . 3.230 2.543 2.070 3.423 0.193 19 0 "[ . 1 . 2 .]" 1
946 1 52 ARG HA 1 52 ARG QD . . 3.950 3.017 1.994 4.029 0.079 20 0 "[ . 1 . 2 .]" 1
947 1 52 ARG HA 1 53 THR H . . 2.540 2.347 2.206 2.512 . 0 0 "[ . 1 . 2 .]" 1
948 1 52 ARG QB 1 52 ARG QD . . 3.190 2.242 2.000 2.489 . 0 0 "[ . 1 . 2 .]" 1
949 1 53 THR H 1 53 THR HB . . 3.230 2.736 2.546 2.893 . 0 0 "[ . 1 . 2 .]" 1
950 1 53 THR H 1 54 PRO QG . . 5.170 5.421 5.264 5.578 0.408 13 0 "[ . 1 . 2 .]" 1
951 1 53 THR HA 1 53 THR HB . . 2.510 2.986 2.957 3.035 0.525 2 2 "[ + . 1- . 2 .]" 1
952 1 53 THR HA 1 54 PRO HD2 . . 2.540 2.257 2.209 2.318 . 0 0 "[ . 1 . 2 .]" 1
953 1 53 THR HA 1 54 PRO HD3 . . 2.400 2.215 2.045 2.379 . 0 0 "[ . 1 . 2 .]" 1
954 1 53 THR MG 1 54 PRO HA . . 6.670 4.308 4.091 4.537 . 0 0 "[ . 1 . 2 .]" 1
955 1 53 THR MG 1 131 LEU QD . . 8.060 6.776 5.411 7.423 . 0 0 "[ . 1 . 2 .]" 1
956 1 54 PRO HA 1 54 PRO QB . . 2.440 2.203 2.159 2.261 . 0 0 "[ . 1 . 2 .]" 1
957 1 54 PRO HA 1 54 PRO QG . . 3.840 3.555 3.529 3.580 . 0 0 "[ . 1 . 2 .]" 1
958 1 54 PRO HA 1 55 ILE H . . 2.690 2.367 2.143 2.565 . 0 0 "[ . 1 . 2 .]" 1
959 1 54 PRO QB 1 55 ILE H . . 3.590 2.625 2.284 3.001 . 0 0 "[ . 1 . 2 .]" 1
960 1 55 ILE H 1 55 ILE HB . . 2.800 2.622 2.527 2.690 . 0 0 "[ . 1 . 2 .]" 1
961 1 55 ILE H 1 55 ILE HG12 . . 2.900 3.090 2.914 3.334 0.434 11 0 "[ . 1 . 2 .]" 1
962 1 55 ILE H 1 55 ILE HG13 . . 3.370 2.198 1.985 2.440 . 0 0 "[ . 1 . 2 .]" 1
963 1 55 ILE HA 1 55 ILE HG12 . . 2.400 2.540 2.392 2.686 0.286 24 0 "[ . 1 . 2 .]" 1
964 1 55 ILE HA 1 55 ILE HG13 . . 3.010 3.358 3.262 3.385 0.375 2 0 "[ . 1 . 2 .]" 1
965 1 55 ILE HA 1 56 LYS H . . 2.400 2.137 2.057 2.190 . 0 0 "[ . 1 . 2 .]" 1
966 1 55 ILE HA 1 133 LEU MD1 . . 7.030 5.049 4.787 5.327 . 0 0 "[ . 1 . 2 .]" 1
967 1 55 ILE HB 1 55 ILE HG12 . . 2.900 3.056 3.027 3.080 0.180 12 0 "[ . 1 . 2 .]" 1
968 1 55 ILE HB 1 57 PHE QD . . 8.120 4.527 4.387 4.675 . 0 0 "[ . 1 . 2 .]" 1
969 1 55 ILE HB 1 57 PHE QE . . 8.120 3.134 2.974 3.294 . 0 0 "[ . 1 . 2 .]" 1
970 1 55 ILE HB 1 57 PHE HZ . . 5.170 2.424 2.259 2.681 . 0 0 "[ . 1 . 2 .]" 1
971 1 55 ILE HB 1 109 ILE MD . . 6.970 6.288 5.904 6.631 . 0 0 "[ . 1 . 2 .]" 1
972 1 55 ILE HB 1 121 ILE MG . . 7.030 3.489 3.313 3.705 . 0 0 "[ . 1 . 2 .]" 1
973 1 55 ILE HB 1 121 ILE QG . . 5.420 6.242 5.996 6.416 0.996 2 25 [*+*********************-*] 1
974 1 55 ILE HB 1 133 LEU QB . . 4.240 4.305 4.210 4.510 0.270 13 0 "[ . 1 . 2 .]" 1
975 1 55 ILE HB 1 133 LEU MD1 . . 6.260 3.612 3.242 4.318 . 0 0 "[ . 1 . 2 .]" 1
976 1 55 ILE MG 1 56 LYS H . . 4.330 2.672 2.040 2.975 . 0 0 "[ . 1 . 2 .]" 1
977 1 55 ILE MG 1 56 LYS HA . . 6.520 4.188 3.968 4.476 . 0 0 "[ . 1 . 2 .]" 1
978 1 55 ILE MG 1 57 PHE HA . . 6.270 4.363 4.173 4.723 . 0 0 "[ . 1 . 2 .]" 1
979 1 55 ILE MG 1 57 PHE QD . . 7.600 3.666 3.279 3.888 . 0 0 "[ . 1 . 2 .]" 1
980 1 55 ILE MG 1 57 PHE QE . . 7.960 2.930 2.313 3.194 . 0 0 "[ . 1 . 2 .]" 1
981 1 55 ILE MG 1 57 PHE HZ . . 4.720 3.511 2.989 3.837 . 0 0 "[ . 1 . 2 .]" 1
982 1 55 ILE MG 1 121 ILE HB . . 5.770 3.662 3.331 3.889 . 0 0 "[ . 1 . 2 .]" 1
983 1 55 ILE MG 1 121 ILE MG . . 5.860 2.421 2.120 2.876 . 0 0 "[ . 1 . 2 .]" 1
984 1 55 ILE MG 1 133 LEU H . . 5.730 2.509 1.929 2.967 . 0 0 "[ . 1 . 2 .]" 1
985 1 55 ILE MG 1 133 LEU HA . . 6.920 2.960 2.694 3.182 . 0 0 "[ . 1 . 2 .]" 1
986 1 55 ILE MG 1 133 LEU QB . . 4.000 1.915 1.867 1.955 . 0 0 "[ . 1 . 2 .]" 1
987 1 55 ILE MG 1 133 LEU HG . . 6.990 4.024 3.904 4.228 . 0 0 "[ . 1 . 2 .]" 1
988 1 55 ILE MG 1 133 LEU MD1 . . 5.570 2.022 1.867 2.245 . 0 0 "[ . 1 . 2 .]" 1
989 1 55 ILE MG 1 133 LEU MD2 . . 5.460 3.010 2.712 3.321 . 0 0 "[ . 1 . 2 .]" 1
990 1 55 ILE HG13 1 121 ILE MD . . 7.030 3.914 3.703 4.169 . 0 0 "[ . 1 . 2 .]" 1
991 1 55 ILE MD 1 57 PHE QE . . 9.150 3.630 3.289 3.896 . 0 0 "[ . 1 . 2 .]" 1
992 1 55 ILE MD 1 57 PHE HZ . . 6.020 3.584 3.242 3.878 . 0 0 "[ . 1 . 2 .]" 1
993 1 55 ILE MD 1 109 ILE MD . . 8.060 4.465 4.161 5.005 . 0 0 "[ . 1 . 2 .]" 1
994 1 55 ILE MD 1 121 ILE H . . 6.090 5.014 4.748 5.215 . 0 0 "[ . 1 . 2 .]" 1
995 1 55 ILE MD 1 121 ILE HA . . 6.560 3.668 3.602 3.751 . 0 0 "[ . 1 . 2 .]" 1
996 1 55 ILE MD 1 121 ILE MG . . 5.250 1.934 1.828 2.143 . 0 0 "[ . 1 . 2 .]" 1
997 1 55 ILE MD 1 121 ILE MD . . 5.900 2.079 1.894 2.357 . 0 0 "[ . 1 . 2 .]" 1
998 1 55 ILE MD 1 131 LEU QB . . 4.940 2.646 2.160 3.175 . 0 0 "[ . 1 . 2 .]" 1
999 1 55 ILE MD 1 132 LYS HA . . 4.220 2.546 2.040 3.024 . 0 0 "[ . 1 . 2 .]" 1
1000 1 55 ILE MD 1 133 LEU H . . 6.270 3.525 2.845 3.987 . 0 0 "[ . 1 . 2 .]" 1
1001 1 55 ILE MD 1 133 LEU HA . . 7.030 3.472 3.229 3.700 . 0 0 "[ . 1 . 2 .]" 1
1002 1 55 ILE MD 1 133 LEU QB . . 5.010 3.653 3.345 3.879 . 0 0 "[ . 1 . 2 .]" 1
1003 1 56 LYS H 1 56 LYS HB2 . . 2.830 2.905 2.771 3.059 0.229 22 0 "[ . 1 . 2 .]" 1
1004 1 56 LYS H 1 56 LYS HD3 . . 4.670 4.893 4.541 5.398 0.728 3 4 "[ + . * - . 2 *]" 1
1005 1 56 LYS HA 1 56 LYS HB2 . . 2.510 2.380 2.287 2.473 . 0 0 "[ . 1 . 2 .]" 1
1006 1 56 LYS HA 1 56 LYS HG2 . . 3.410 3.120 2.447 3.904 0.494 15 0 "[ . 1 . 2 .]" 1
1007 1 56 LYS HA 1 57 PHE H . . 2.580 2.112 1.987 2.313 . 0 0 "[ . 1 . 2 .]" 1
1008 1 56 LYS HA 1 57 PHE QD . . 5.780 3.396 3.032 3.714 . 0 0 "[ . 1 . 2 .]" 1
1009 1 56 LYS HA 1 58 GLY H . . 3.840 4.067 3.672 4.184 0.344 4 0 "[ . 1 . 2 .]" 1
1010 1 56 LYS HA 1 63 ASP HA . . 4.920 4.983 4.618 5.056 0.136 6 0 "[ . 1 . 2 .]" 1
1011 1 56 LYS HB3 1 57 PHE H . . 5.280 4.205 3.834 4.389 . 0 0 "[ . 1 . 2 .]" 1
1012 1 56 LYS HB2 1 57 PHE H . . 4.600 4.022 3.850 4.187 . 0 0 "[ . 1 . 2 .]" 1
1013 1 56 LYS HD3 1 56 LYS HG2 . . 2.470 2.606 2.265 3.076 0.606 18 7 "[ *. 1*** . + 2 *-.]" 1
1014 1 56 LYS HG2 1 58 GLY H . . 5.170 3.965 2.672 5.315 0.145 15 0 "[ . 1 . 2 .]" 1
1015 1 56 LYS HD3 1 57 PHE H . . 5.710 3.465 1.921 4.981 . 0 0 "[ . 1 . 2 .]" 1
1016 1 56 LYS HD3 1 57 PHE QD . . 7.650 5.305 3.904 6.809 . 0 0 "[ . 1 . 2 .]" 1
1017 1 56 LYS HD3 1 58 GLY H . . 5.710 4.077 3.053 5.885 0.175 19 0 "[ . 1 . 2 .]" 1
1018 1 57 PHE H 1 57 PHE QB . . 3.300 2.647 2.542 2.770 . 0 0 "[ . 1 . 2 .]" 1
1019 1 57 PHE H 1 58 GLY H . . 2.870 2.149 2.004 2.267 . 0 0 "[ . 1 . 2 .]" 1
1020 1 57 PHE H 1 59 LYS H . . 4.850 3.802 3.560 3.975 . 0 0 "[ . 1 . 2 .]" 1
1021 1 57 PHE HA 1 58 GLY H . . 4.130 3.564 3.490 3.618 . 0 0 "[ . 1 . 2 .]" 1
1022 1 57 PHE HA 1 133 LEU MD1 . . 6.380 3.950 3.206 4.127 . 0 0 "[ . 1 . 2 .]" 1
1023 1 57 PHE HA 1 133 LEU MD2 . . 4.580 2.424 1.987 3.124 . 0 0 "[ . 1 . 2 .]" 1
1024 1 57 PHE QB 1 58 GLY H . . 3.980 2.287 2.170 2.746 . 0 0 "[ . 1 . 2 .]" 1
1025 1 57 PHE QB 1 59 LYS H . . 3.440 2.258 2.176 2.335 . 0 0 "[ . 1 . 2 .]" 1
1026 1 57 PHE QB 1 62 CYS QB . . 3.120 3.012 2.292 3.805 0.685 5 3 "[ * + 1 . 2 -.]" 1
1027 1 57 PHE QB 1 118 CYS QB . . 2.900 2.872 2.271 3.466 0.566 2 2 "[ + . 1 . 2 -.]" 1
1028 1 57 PHE QB 1 133 LEU MD1 . . 6.060 3.944 3.327 4.198 . 0 0 "[ . 1 . 2 .]" 1
1029 1 57 PHE QB 1 133 LEU MD2 . . 5.550 3.345 2.622 4.275 . 0 0 "[ . 1 . 2 .]" 1
1030 1 57 PHE QD 1 58 GLY H . . 8.120 3.410 3.119 3.664 . 0 0 "[ . 1 . 2 .]" 1
1031 1 57 PHE QD 1 62 CYS QB . . 5.780 2.585 2.109 4.204 . 0 0 "[ . 1 . 2 .]" 1
1032 1 57 PHE QD 1 109 ILE MG . . 9.080 4.370 4.040 4.615 . 0 0 "[ . 1 . 2 .]" 1
1033 1 57 PHE QD 1 118 CYS H . . 8.120 5.283 5.008 5.717 . 0 0 "[ . 1 . 2 .]" 1
1034 1 57 PHE QD 1 118 CYS QB . . 8.120 2.477 2.055 2.991 . 0 0 "[ . 1 . 2 .]" 1
1035 1 57 PHE QD 1 119 GLY H . . 8.120 4.376 4.053 4.833 . 0 0 "[ . 1 . 2 .]" 1
1036 1 57 PHE QD 1 119 GLY QA . . 6.540 3.577 3.268 3.900 . 0 0 "[ . 1 . 2 .]" 1
1037 1 57 PHE QD 1 121 ILE MG . . 9.150 4.322 4.048 4.474 . 0 0 "[ . 1 . 2 .]" 1
1038 1 57 PHE QD 1 133 LEU MD2 . . 9.150 2.408 1.926 3.253 . 0 0 "[ . 1 . 2 .]" 1
1039 1 57 PHE QE 1 80 LEU MD1 . . 6.590 3.405 2.856 3.865 . 0 0 "[ . 1 . 2 .]" 1
1040 1 57 PHE QE 1 80 LEU MD2 . . 9.150 3.805 3.210 4.196 . 0 0 "[ . 1 . 2 .]" 1
1041 1 57 PHE QE 1 109 ILE QG . . 8.120 3.827 3.250 4.299 . 0 0 "[ . 1 . 2 .]" 1
1042 1 57 PHE QE 1 119 GLY QA . . 8.120 4.406 4.080 4.817 . 0 0 "[ . 1 . 2 .]" 1
1043 1 57 PHE QE 1 133 LEU HA . . 8.120 4.724 4.267 5.064 . 0 0 "[ . 1 . 2 .]" 1
1044 1 57 PHE QD 1 63 ASP HA . . 5.890 3.750 3.369 4.192 . 0 0 "[ . 1 . 2 .]" 1
1045 1 57 PHE QD 1 63 ASP QB . . 4.600 3.901 3.856 3.948 . 0 0 "[ . 1 . 2 .]" 1
1046 1 57 PHE HZ 1 80 LEU MD1 . . 4.510 4.049 3.185 4.647 0.137 9 0 "[ . 1 . 2 .]" 1
1047 1 57 PHE HZ 1 109 ILE MG . . 4.470 2.682 2.200 3.014 . 0 0 "[ . 1 . 2 .]" 1
1048 1 57 PHE HZ 1 109 ILE QG . . 4.060 4.037 3.645 4.293 0.233 25 0 "[ . 1 . 2 .]" 1
1049 1 57 PHE HZ 1 110 TYR H . . 5.990 6.961 6.167 7.652 1.662 9 23 "[********+****-******** *]" 1
1050 1 57 PHE HZ 1 121 ILE MG . . 4.290 3.531 3.433 3.643 . 0 0 "[ . 1 . 2 .]" 1
1051 1 57 PHE HZ 1 121 ILE MD . . 6.270 4.639 4.149 5.047 . 0 0 "[ . 1 . 2 .]" 1
1052 1 57 PHE HZ 1 133 LEU MD1 . . 5.050 3.838 3.469 4.330 . 0 0 "[ . 1 . 2 .]" 1
1053 1 57 PHE HE1 1 121 ILE MG . . 4.900 3.374 2.450 5.562 0.662 10 6 "[ * * * + . - *.]" 1
1054 1 57 PHE HE1 1 133 LEU MD1 . . 5.020 2.777 1.837 5.338 0.318 20 0 "[ . 1 . 2 .]" 1
1055 1 57 PHE QD 1 133 LEU MD1 . . 4.730 2.078 1.891 2.287 . 0 0 "[ . 1 . 2 .]" 1
1056 1 58 GLY H 1 58 GLY HA3 . . 2.870 2.988 2.967 3.014 0.144 21 0 "[ . 1 . 2 .]" 1
1057 1 58 GLY H 1 59 LYS H . . 2.800 1.997 1.897 2.242 . 0 0 "[ . 1 . 2 .]" 1
1058 1 58 GLY HA2 1 59 LYS H . . 3.590 3.353 3.302 3.421 . 0 0 "[ . 1 . 2 .]" 1
1059 1 58 GLY HA3 1 59 LYS H . . 3.590 3.293 3.186 3.348 . 0 0 "[ . 1 . 2 .]" 1
1060 1 59 LYS H 1 59 LYS HB3 . . 3.950 3.504 3.268 3.663 . 0 0 "[ . 1 . 2 .]" 1
1061 1 59 LYS H 1 59 LYS QG . . 3.300 3.190 2.526 3.609 0.309 18 0 "[ . 1 . 2 .]" 1
1062 1 59 LYS H 1 63 ASP H . . 4.340 4.501 4.030 4.992 0.652 24 1 "[ . 1 . 2 +.]" 1
1063 1 59 LYS HA 1 59 LYS HB3 . . 2.620 2.685 2.455 2.881 0.261 11 0 "[ . 1 . 2 .]" 1
1064 1 59 LYS HA 1 59 LYS QG . . 2.650 2.336 2.080 2.690 0.040 10 0 "[ . 1 . 2 .]" 1
1065 1 59 LYS HA 1 60 SER HA . . 4.520 4.290 4.262 4.317 . 0 0 "[ . 1 . 2 .]" 1
1066 1 59 LYS HA 1 60 SER QB . . 4.970 4.068 3.935 4.352 . 0 0 "[ . 1 . 2 .]" 1
1067 1 59 LYS HB3 1 59 LYS QG . . 2.400 2.429 2.159 2.601 0.201 20 0 "[ . 1 . 2 .]" 1
1068 1 59 LYS HB3 1 61 ASP H . . 3.300 2.430 2.179 3.247 . 0 0 "[ . 1 . 2 .]" 1
1069 1 59 LYS HB3 1 62 CYS H . . 4.060 2.538 2.089 3.109 . 0 0 "[ . 1 . 2 .]" 1
1070 1 59 LYS HE2 1 59 LYS QG . . 3.840 2.520 1.966 3.413 . 0 0 "[ . 1 . 2 .]" 1
1071 1 59 LYS QG 1 62 CYS QB . . 5.140 4.450 2.868 5.429 0.289 1 0 "[ . 1 . 2 .]" 1
1072 1 60 SER HA 1 61 ASP H . . 4.700 3.390 3.254 3.626 . 0 0 "[ . 1 . 2 .]" 1
1073 1 60 SER HA 1 63 ASP H . . 3.660 3.495 3.360 3.672 0.012 5 0 "[ . 1 . 2 .]" 1
1074 1 60 SER HA 1 63 ASP QB . . 3.230 2.163 2.014 2.543 . 0 0 "[ . 1 . 2 .]" 1
1075 1 60 SER QB 1 61 ASP H . . 4.860 3.381 2.477 3.941 . 0 0 "[ . 1 . 2 .]" 1
1076 1 60 SER QB 1 63 ASP QB . . 6.880 4.048 3.667 4.412 . 0 0 "[ . 1 . 2 .]" 1
1077 1 61 ASP H 1 61 ASP HB3 . . 3.910 3.584 3.408 3.631 . 0 0 "[ . 1 . 2 .]" 1
1078 1 61 ASP H 1 61 ASP HB2 . . 3.050 2.588 2.106 2.985 . 0 0 "[ . 1 . 2 .]" 1
1079 1 61 ASP H 1 62 CYS H . . 3.550 2.397 2.302 2.522 . 0 0 "[ . 1 . 2 .]" 1
1080 1 61 ASP HA 1 61 ASP HB3 . . 2.720 2.424 2.262 2.765 0.045 24 0 "[ . 1 . 2 .]" 1
1081 1 61 ASP HA 1 62 CYS H . . 3.980 3.589 3.523 3.637 . 0 0 "[ . 1 . 2 .]" 1
1082 1 61 ASP HA 1 63 ASP H . . 4.030 4.131 3.679 4.572 0.542 19 4 "[ . -** . +2 .]" 1
1083 1 61 ASP HA 1 64 ARG HA . . 4.540 5.392 4.952 5.584 1.044 19 24 "[****-*************+**** *]" 1
1084 1 61 ASP HA 1 64 ARG HG3 . . 5.280 5.007 4.438 5.232 . 0 0 "[ . 1 . 2 .]" 1
1085 1 61 ASP HA 1 64 ARG HD2 . . 4.090 3.581 2.368 4.430 0.340 11 0 "[ . 1 . 2 .]" 1
1086 1 61 ASP HB3 1 62 CYS H . . 3.770 3.549 3.220 3.897 0.127 17 0 "[ . 1 . 2 .]" 1
1087 1 61 ASP HB3 1 111 THR MG . . 4.040 2.732 2.171 3.370 . 0 0 "[ . 1 . 2 .]" 1
1088 1 61 ASP HB3 1 116 VAL HB . . 5.780 3.804 3.616 3.850 . 0 0 "[ . 1 . 2 .]" 1
1089 1 61 ASP HB3 1 116 VAL QG . . 6.790 2.990 2.562 3.239 . 0 0 "[ . 1 . 2 .]" 1
1090 1 61 ASP HB2 1 62 CYS H . . 4.020 2.390 2.163 2.860 . 0 0 "[ . 1 . 2 .]" 1
1091 1 61 ASP HB2 1 111 THR MG . . 4.620 2.697 1.976 3.287 . 0 0 "[ . 1 . 2 .]" 1
1092 1 61 ASP HB2 1 116 VAL QG . . 5.960 2.419 1.980 2.832 . 0 0 "[ . 1 . 2 .]" 1
1093 1 62 CYS H 1 62 CYS QB . . 2.980 2.495 2.151 2.755 . 0 0 "[ . 1 . 2 .]" 1
1094 1 62 CYS H 1 116 VAL QG . . 8.120 3.452 2.889 3.811 . 0 0 "[ . 1 . 2 .]" 1
1095 1 62 CYS HA 1 64 ARG HG2 . . 6.000 4.718 4.239 5.089 . 0 0 "[ . 1 . 2 .]" 1
1096 1 62 CYS HA 1 80 LEU QB . . 5.030 4.907 4.659 5.223 0.193 17 0 "[ . 1 . 2 .]" 1
1097 1 62 CYS HA 1 80 LEU MD2 . . 4.610 3.000 2.008 3.540 . 0 0 "[ . 1 . 2 .]" 1
1098 1 62 CYS HA 1 111 THR MG . . 4.360 2.078 1.903 2.299 . 0 0 "[ . 1 . 2 .]" 1
1099 1 62 CYS HA 1 118 CYS QB . . 5.500 4.910 4.376 5.182 . 0 0 "[ . 1 . 2 .]" 1
1100 1 62 CYS CB 1 118 CYS SG . . 3.100 2.955 2.762 3.093 . 0 0 "[ . 1 . 2 .]" 1
1101 1 62 CYS QB 1 63 ASP H . . 3.190 3.039 2.751 3.369 0.179 23 0 "[ . 1 . 2 .]" 1
1102 1 62 CYS QB 1 80 LEU MD2 . . 4.760 2.734 1.959 3.615 . 0 0 "[ . 1 . 2 .]" 1
1103 1 62 CYS QB 1 118 CYS QB . . 3.370 2.884 2.291 3.178 . 0 0 "[ . 1 . 2 .]" 1
1104 1 62 CYS QB 1 111 THR MG . . 3.930 2.771 2.073 3.279 . 0 0 "[ . 1 . 2 .]" 1
1105 1 62 CYS SG 1 118 CYS CB . . 3.100 2.985 2.804 3.077 . 0 0 "[ . 1 . 2 .]" 1
1106 1 62 CYS SG 1 118 CYS SG . . 2.100 2.006 1.845 2.045 . 0 0 "[ . 1 . 2 .]" 1
1107 1 63 ASP H 1 63 ASP HA . . 3.080 2.926 2.821 3.022 . 0 0 "[ . 1 . 2 .]" 1
1108 1 63 ASP H 1 63 ASP QB . . 2.980 2.224 2.187 2.288 . 0 0 "[ . 1 . 2 .]" 1
1109 1 63 ASP H 1 64 ARG H . . 2.760 2.375 2.051 2.656 . 0 0 "[ . 1 . 2 .]" 1
1110 1 63 ASP HA 1 63 ASP QB . . 2.690 2.343 2.259 2.413 . 0 0 "[ . 1 . 2 .]" 1
1111 1 63 ASP HA 1 64 ARG H . . 3.420 3.589 3.561 3.621 0.201 12 0 "[ . 1 . 2 .]" 1
1112 1 63 ASP HA 1 80 LEU HG . . 6.000 7.545 6.654 8.054 2.054 9 25 [********+**************-*] 1
1113 1 63 ASP QB 1 64 ARG H . . 3.620 2.609 2.452 2.759 . 0 0 "[ . 1 . 2 .]" 1
1114 1 64 ARG H 1 64 ARG HB3 . . 3.420 2.050 2.007 2.083 . 0 0 "[ . 1 . 2 .]" 1
1115 1 64 ARG H 1 64 ARG HB2 . . 3.050 3.279 3.221 3.344 0.294 20 0 "[ . 1 . 2 .]" 1
1116 1 64 ARG H 1 64 ARG HG2 . . 3.190 3.424 3.251 3.623 0.433 13 0 "[ . 1 . 2 .]" 1
1117 1 64 ARG H 1 64 ARG HG3 . . 4.520 4.331 4.182 4.451 . 0 0 "[ . 1 . 2 .]" 1
1118 1 64 ARG HA 1 64 ARG HB3 . . 2.980 2.793 2.738 2.858 . 0 0 "[ . 1 . 2 .]" 1
1119 1 64 ARG HA 1 64 ARG HG2 . . 3.840 3.785 3.683 3.890 0.050 21 0 "[ . 1 . 2 .]" 1
1120 1 64 ARG HA 1 65 PRO HG3 . . 6.000 4.370 4.330 4.442 . 0 0 "[ . 1 . 2 .]" 1
1121 1 64 ARG HA 1 65 PRO HD2 . . 3.420 2.855 2.766 2.936 . 0 0 "[ . 1 . 2 .]" 1
1122 1 64 ARG HA 1 65 PRO HD3 . . 2.760 2.137 2.082 2.240 . 0 0 "[ . 1 . 2 .]" 1
1123 1 64 ARG HB3 1 64 ARG HG2 . . 2.640 2.471 2.386 2.575 . 0 0 "[ . 1 . 2 .]" 1
1124 1 64 ARG HB3 1 64 ARG HG3 . . 2.680 2.985 2.945 3.014 0.334 20 0 "[ . 1 . 2 .]" 1
1125 1 64 ARG HB3 1 64 ARG HD2 . . 4.380 3.225 2.306 3.623 . 0 0 "[ . 1 . 2 .]" 1
1126 1 64 ARG HB3 1 78 HIS HE1 . . 6.000 5.416 4.866 5.586 . 0 0 "[ . 1 . 2 .]" 1
1127 1 64 ARG HB2 1 64 ARG HG3 . . 2.640 2.470 2.399 2.557 . 0 0 "[ . 1 . 2 .]" 1
1128 1 64 ARG HB2 1 64 ARG HD2 . . 4.020 3.713 3.147 3.875 . 0 0 "[ . 1 . 2 .]" 1
1129 1 64 ARG HB2 1 65 PRO HD3 . . 4.340 3.041 2.789 3.285 . 0 0 "[ . 1 . 2 .]" 1
1130 1 64 ARG HD2 1 64 ARG HG2 . . 3.050 2.274 2.186 2.480 . 0 0 "[ . 1 . 2 .]" 1
1131 1 64 ARG HG2 1 78 HIS HE1 . . 6.000 3.930 3.177 4.431 . 0 0 "[ . 1 . 2 .]" 1
1132 1 64 ARG HG3 1 65 PRO HD2 . . 5.140 2.158 2.029 2.304 . 0 0 "[ . 1 . 2 .]" 1
1133 1 64 ARG HG3 1 65 PRO HD3 . . 4.990 3.557 3.409 3.777 . 0 0 "[ . 1 . 2 .]" 1
1134 1 64 ARG HG3 1 78 HIS HE1 . . 4.490 2.723 2.231 3.030 . 0 0 "[ . 1 . 2 .]" 1
1135 1 64 ARG HD2 1 65 PRO HD2 . . 4.560 4.603 4.351 4.896 0.336 13 0 "[ . 1 . 2 .]" 1
1136 1 64 ARG HD2 1 78 HIS HD2 . . 6.000 5.443 4.702 6.066 0.066 10 0 "[ . 1 . 2 .]" 1
1137 1 64 ARG HD2 1 78 HIS HE1 . . 4.850 3.506 2.490 4.476 . 0 0 "[ . 1 . 2 .]" 1
1138 1 65 PRO HA 1 66 PRO QD . . 2.470 1.974 1.902 2.124 . 0 0 "[ . 1 . 2 .]" 1
1139 1 65 PRO QB 1 65 PRO HG2 . . 2.400 2.238 2.177 2.274 . 0 0 "[ . 1 . 2 .]" 1
1140 1 65 PRO QB 1 66 PRO QD . . 2.400 2.824 2.632 3.103 0.703 19 6 "[ *. 1 . - +** *.]" 1
1141 1 65 PRO HD2 1 65 PRO HG2 . . 3.050 2.244 2.185 2.276 . 0 0 "[ . 1 . 2 .]" 1
1142 1 66 PRO HA 1 66 PRO HB3 . . 2.800 2.293 2.230 2.328 . 0 0 "[ . 1 . 2 .]" 1
1143 1 66 PRO HA 1 66 PRO QG . . 3.080 3.544 3.504 3.571 0.491 15 0 "[ . 1 . 2 .]" 1
1144 1 66 PRO HA 1 67 LYS H . . 2.400 2.443 2.370 2.512 0.112 9 0 "[ . 1 . 2 .]" 1
1145 1 66 PRO HA 1 78 HIS HE1 . . 4.310 4.059 3.622 5.067 0.757 3 3 "[ + . * .- 2 .]" 1
1146 1 66 PRO HA 1 79 TYR HA . . 4.310 2.762 2.147 3.252 . 0 0 "[ . 1 . 2 .]" 1
1147 1 66 PRO HB2 1 79 TYR HA . . 3.620 2.538 2.176 3.171 . 0 0 "[ . 1 . 2 .]" 1
1148 1 66 PRO HB2 1 79 TYR HB2 . . 5.460 3.044 2.273 3.589 . 0 0 "[ . 1 . 2 .]" 1
1149 1 66 PRO HB3 1 67 LYS H . . 4.990 3.348 3.267 3.415 . 0 0 "[ . 1 . 2 .]" 1
1150 1 66 PRO HB3 1 79 TYR HA . . 4.850 2.053 1.956 2.190 . 0 0 "[ . 1 . 2 .]" 1
1151 1 66 PRO HB3 1 79 TYR HB2 . . 5.240 3.459 2.466 3.987 . 0 0 "[ . 1 . 2 .]" 1
1152 1 67 LYS H 1 67 LYS HB2 . . 2.990 3.159 2.676 3.373 0.383 21 0 "[ . 1 . 2 .]" 1
1153 1 67 LYS H 1 67 LYS HB3 . . 2.900 2.968 2.633 3.743 0.843 7 6 "[ * .-+ 1* * . 2 *]" 1
1154 1 67 LYS H 1 67 LYS QD . . 4.960 4.881 4.752 5.027 0.067 21 0 "[ . 1 . 2 .]" 1
1155 1 67 LYS H 1 68 HIS H . . 3.950 3.310 2.954 4.335 0.385 24 0 "[ . 1 . 2 .]" 1
1156 1 67 LYS H 1 78 HIS H . . 3.600 3.312 3.231 3.420 . 0 0 "[ . 1 . 2 .]" 1
1157 1 67 LYS H 1 78 HIS HD2 . . 4.340 4.444 2.046 5.157 0.817 13 20 "[** **** 1**+** *******-*]" 1
1158 1 67 LYS H 1 79 TYR HA . . 6.000 2.698 2.346 3.275 . 0 0 "[ . 1 . 2 .]" 1
1159 1 67 LYS HA 1 67 LYS HB2 . . 2.800 2.537 2.318 3.028 0.228 7 0 "[ . 1 . 2 .]" 1
1160 1 67 LYS HA 1 67 LYS HB3 . . 3.050 2.966 2.705 3.055 0.005 17 0 "[ . 1 . 2 .]" 1
1161 1 67 LYS HA 1 67 LYS HG2 . . 3.490 3.354 2.059 3.846 0.356 19 0 "[ . 1 . 2 .]" 1
1162 1 67 LYS HA 1 67 LYS HG3 . . 2.980 2.807 2.440 3.447 0.467 7 0 "[ . 1 . 2 .]" 1
1163 1 67 LYS HA 1 67 LYS QD . . 3.000 2.907 2.568 3.168 0.168 14 0 "[ . 1 . 2 .]" 1
1164 1 67 LYS HA 1 68 HIS H . . 2.580 2.430 2.079 2.567 . 0 0 "[ . 1 . 2 .]" 1
1165 1 67 LYS HA 1 78 HIS HE1 . . 5.640 5.639 5.241 6.068 0.428 8 0 "[ . 1 . 2 .]" 1
1166 1 67 LYS HB2 1 78 HIS HD2 . . 5.170 3.360 2.652 3.930 . 0 0 "[ . 1 . 2 .]" 1
1167 1 67 LYS HB2 1 78 HIS HE1 . . 4.160 3.963 3.628 4.353 0.193 19 0 "[ . 1 . 2 .]" 1
1168 1 67 LYS HB3 1 78 HIS H . . 4.340 2.294 1.848 3.516 . 0 0 "[ . 1 . 2 .]" 1
1169 1 67 LYS HB3 1 78 HIS HD2 . . 4.270 3.157 2.159 4.128 . 0 0 "[ . 1 . 2 .]" 1
1170 1 67 LYS HG2 1 78 HIS HD2 . . 6.000 4.504 3.671 5.362 . 0 0 "[ . 1 . 2 .]" 1
1171 1 67 LYS QD 1 78 HIS HD2 . . 3.950 4.322 3.630 4.545 0.595 17 6 "[ * . ** .*+ 2- .]" 1
1172 1 67 LYS QD 1 78 HIS HE1 . . 4.700 4.991 4.357 5.546 0.846 6 7 "[ *.+ 1 * . ** * -.]" 1
1173 1 67 LYS QE 1 78 HIS HD2 . . 6.000 5.766 5.158 6.208 0.208 17 0 "[ . 1 . 2 .]" 1
1174 1 67 LYS QE 1 78 HIS HE1 . . 6.000 6.420 4.066 7.562 1.562 22 14 "[* ** 1 * -* *****+**.]" 1
1175 1 68 HIS H 1 68 HIS HB3 . . 3.590 2.470 2.303 2.734 . 0 0 "[ . 1 . 2 .]" 1
1176 1 68 HIS H 1 68 HIS HB2 . . 3.590 2.819 2.686 3.090 . 0 0 "[ . 1 . 2 .]" 1
1177 1 68 HIS HA 1 68 HIS HB2 . . 2.980 2.462 2.369 2.538 . 0 0 "[ . 1 . 2 .]" 1
1178 1 68 HIS HA 1 69 SER H . . 2.800 2.311 2.041 2.425 . 0 0 "[ . 1 . 2 .]" 1
1179 1 68 HIS HB3 1 79 TYR QD . . 8.140 4.973 3.684 6.766 . 0 0 "[ . 1 . 2 .]" 1
1180 1 68 HIS HB2 1 68 HIS HD2 . . 4.130 2.829 2.638 3.103 . 0 0 "[ . 1 . 2 .]" 1
1181 1 68 HIS HB2 1 79 TYR HB3 . . 6.000 3.009 2.449 4.216 . 0 0 "[ . 1 . 2 .]" 1
1182 1 68 HIS HB2 1 79 TYR HB2 . . 6.000 3.070 2.084 4.872 . 0 0 "[ . 1 . 2 .]" 1
1183 1 68 HIS HD2 1 72 GLY QA . . 3.800 3.276 2.269 4.274 0.474 3 0 "[ . 1 . 2 .]" 1
1184 1 68 HIS HD2 1 79 TYR QD . . 7.170 2.930 1.986 4.434 . 0 0 "[ . 1 . 2 .]" 1
1185 1 68 HIS HD2 1 79 TYR QE . . 7.630 3.576 2.009 5.446 . 0 0 "[ . 1 . 2 .]" 1
1186 1 68 HIS HE1 1 69 SER HA . . 6.000 4.958 4.123 5.850 . 0 0 "[ . 1 . 2 .]" 1
1187 1 68 HIS HE1 1 70 LYS HA . . 3.840 4.107 3.512 4.698 0.858 10 9 "[ **.* *+ - . * *2 *.]" 1
1188 1 68 HIS HE1 1 71 ASP HA . . 6.000 6.238 2.917 7.776 1.776 19 16 "[- ** ** 1 * *.***+** ***]" 1
1189 1 68 HIS HE1 1 72 GLY QA . . 6.000 4.813 3.984 5.857 . 0 0 "[ . 1 . 2 .]" 1
1190 1 69 SER HA 1 69 SER QB . . 2.690 2.459 2.155 2.563 . 0 0 "[ . 1 . 2 .]" 1
1191 1 69 SER HA 1 70 LYS H . . 3.180 2.830 2.463 3.577 0.397 10 0 "[ . 1 . 2 .]" 1
1192 1 69 SER QB 1 72 GLY QA . . 3.440 5.480 4.320 7.322 3.882 10 25 [*********+********-******] 1
1193 1 69 SER QB 1 74 GLY H . . 6.000 4.190 2.862 5.301 . 0 0 "[ . 1 . 2 .]" 1
1194 1 69 SER QB 1 74 GLY HA3 . . 6.000 3.785 2.432 5.487 . 0 0 "[ . 1 . 2 .]" 1
1195 1 70 LYS H 1 70 LYS HA . . 2.870 2.960 2.838 3.051 0.181 21 0 "[ . 1 . 2 .]" 1
1196 1 70 LYS HA 1 70 LYS QG . . 3.260 2.103 1.991 3.298 0.038 18 0 "[ . 1 . 2 .]" 1
1197 1 70 LYS HA 1 71 ASP H . . 3.620 2.419 2.204 2.739 . 0 0 "[ . 1 . 2 .]" 1
1198 1 70 LYS HA 1 72 GLY H . . 4.310 4.265 3.674 4.359 0.049 13 0 "[ . 1 . 2 .]" 1
1199 1 70 LYS QB 1 70 LYS QG . . 2.400 2.064 2.015 2.114 . 0 0 "[ . 1 . 2 .]" 1
1200 1 70 LYS QB 1 70 LYS HD2 . . 2.760 2.671 2.039 3.420 0.660 19 5 "[* . 1 . +**- .]" 1
1201 1 70 LYS QB 1 71 ASP H . . 3.050 3.728 2.130 4.047 0.997 23 21 "[** ** ** 1*******-****+**]" 1
1202 1 70 LYS HE2 1 70 LYS QG . . 2.620 2.554 2.010 3.376 0.756 19 5 "[ .* 1 - . *+2* .]" 1
1203 1 70 LYS HD2 1 70 LYS HE2 . . 3.120 2.892 2.548 3.070 . 0 0 "[ . 1 . 2 .]" 1
1204 1 71 ASP H 1 71 ASP QB . . 3.370 2.876 2.121 3.040 . 0 0 "[ . 1 . 2 .]" 1
1205 1 71 ASP H 1 72 GLY H . . 2.900 2.265 1.948 3.353 0.453 9 0 "[ . 1 . 2 .]" 1
1206 1 71 ASP H 1 73 ASN H . . 4.780 5.125 4.111 6.068 1.288 3 8 "[ + .*-**1 * .* 2 * .]" 1
1207 1 71 ASP HA 1 71 ASP QB . . 2.690 2.509 2.148 2.601 . 0 0 "[ . 1 . 2 .]" 1
1208 1 71 ASP HA 1 72 GLY H . . 3.840 3.385 2.478 3.595 . 0 0 "[ . 1 . 2 .]" 1
1209 1 72 GLY H 1 73 ASN H . . 3.770 3.303 2.749 3.620 . 0 0 "[ . 1 . 2 .]" 1
1210 1 72 GLY QA 1 73 ASN HA . . 5.890 4.073 3.962 4.188 . 0 0 "[ . 1 . 2 .]" 1
1211 1 72 GLY QA 1 77 ASP QB . . 4.810 5.100 4.515 5.971 1.161 3 6 "[ + .* *- . * 2 * .]" 1
1212 1 73 ASN H 1 73 ASN HA . . 2.870 2.957 2.907 3.016 0.146 17 0 "[ . 1 . 2 .]" 1
1213 1 73 ASN H 1 74 GLY H . . 3.360 3.135 2.080 3.352 . 0 0 "[ . 1 . 2 .]" 1
1214 1 73 ASN HA 1 73 ASN QB . . 2.400 2.257 2.140 2.456 0.056 10 0 "[ . 1 . 2 .]" 1
1215 1 73 ASN HA 1 74 GLY H . . 3.570 2.696 2.218 3.557 . 0 0 "[ . 1 . 2 .]" 1
1216 1 73 ASN HA 1 112 TYR QE . . 8.020 4.976 3.919 6.827 . 0 0 "[ . 1 . 2 .]" 1
1217 1 73 ASN QB 1 77 ASP QB . . 3.730 3.473 1.942 4.129 0.399 25 0 "[ . 1 . 2 .]" 1
1218 1 73 ASN QB 1 112 TYR QE . . 6.980 3.277 2.388 4.377 . 0 0 "[ . 1 . 2 .]" 1
1219 1 74 GLY H 1 74 GLY HA2 . . 2.830 2.766 2.319 2.941 0.111 21 0 "[ . 1 . 2 .]" 1
1220 1 74 GLY H 1 77 ASP QB . . 4.490 3.270 2.587 3.754 . 0 0 "[ . 1 . 2 .]" 1
1221 1 74 GLY HA3 1 75 LYS H . . 3.160 2.151 2.039 2.320 . 0 0 "[ . 1 . 2 .]" 1
1222 1 74 GLY HA2 1 75 LYS H . . 3.880 3.262 2.721 3.471 . 0 0 "[ . 1 . 2 .]" 1
1223 1 75 LYS H 1 75 LYS QG . . 5.100 2.807 2.302 3.072 . 0 0 "[ . 1 . 2 .]" 1
1224 1 75 LYS H 1 76 THR H . . 5.240 3.428 3.079 3.518 . 0 0 "[ . 1 . 2 .]" 1
1225 1 75 LYS HA 1 75 LYS HB3 . . 2.540 2.658 2.515 2.744 0.204 22 0 "[ . 1 . 2 .]" 1
1226 1 75 LYS HA 1 75 LYS QG . . 3.590 2.153 2.091 2.482 . 0 0 "[ . 1 . 2 .]" 1
1227 1 75 LYS HA 1 75 LYS QD . . 3.440 3.472 3.298 4.096 0.656 9 1 "[ . +1 . 2 .]" 1
1228 1 75 LYS HA 1 76 THR H . . 3.770 3.450 3.335 3.551 . 0 0 "[ . 1 . 2 .]" 1
1229 1 75 LYS HA 1 77 ASP H . . 5.390 4.555 4.373 4.930 . 0 0 "[ . 1 . 2 .]" 1
1230 1 75 LYS HA 1 112 TYR QE . . 8.130 6.313 5.850 6.925 . 0 0 "[ . 1 . 2 .]" 1
1231 1 75 LYS QB 1 76 THR MG . . 5.420 3.774 3.579 3.838 . 0 0 "[ . 1 . 2 .]" 1
1232 1 75 LYS QG 1 76 THR MG . . 4.110 5.634 5.450 5.691 1.581 15 25 [********-*****+**********] 1
1233 1 75 LYS QD 1 76 THR MG . . 4.620 4.907 4.832 4.943 0.323 15 0 "[ . 1 . 2 .]" 1
1234 1 76 THR H 1 77 ASP H . . 3.160 2.441 2.205 2.712 . 0 0 "[ . 1 . 2 .]" 1
1235 1 76 THR H 1 112 TYR QE . . 8.130 4.975 4.608 5.449 . 0 0 "[ . 1 . 2 .]" 1
1236 1 76 THR HA 1 77 ASP H . . 3.230 3.033 2.854 3.137 . 0 0 "[ . 1 . 2 .]" 1
1237 1 76 THR MG 1 78 HIS HD2 . . 7.030 3.074 2.409 5.546 . 0 0 "[ . 1 . 2 .]" 1
1238 1 76 THR MG 1 112 TYR QE . . 8.690 4.053 3.956 4.250 . 0 0 "[ . 1 . 2 .]" 1
1239 1 77 ASP H 1 77 ASP QB . . 2.830 2.494 2.070 2.754 . 0 0 "[ . 1 . 2 .]" 1
1240 1 77 ASP H 1 112 TYR QE . . 8.130 3.939 3.507 4.347 . 0 0 "[ . 1 . 2 .]" 1
1241 1 77 ASP HA 1 78 HIS H . . 2.620 2.212 2.069 2.305 . 0 0 "[ . 1 . 2 .]" 1
1242 1 77 ASP HA 1 78 HIS HA . . 6.000 4.473 4.431 4.599 . 0 0 "[ . 1 . 2 .]" 1
1243 1 77 ASP HA 1 78 HIS HD2 . . 4.520 3.603 3.257 4.239 . 0 0 "[ . 1 . 2 .]" 1
1244 1 77 ASP QB 1 79 TYR QD . . 7.780 2.626 1.857 3.542 . 0 0 "[ . 1 . 2 .]" 1
1245 1 77 ASP QB 1 79 TYR QE . . 7.160 3.127 2.066 3.957 . 0 0 "[ . 1 . 2 .]" 1
1246 1 77 ASP QB 1 112 TYR QE . . 5.720 4.185 3.768 4.945 . 0 0 "[ . 1 . 2 .]" 1
1247 1 78 HIS H 1 78 HIS HD2 . . 4.810 2.201 1.944 2.567 . 0 0 "[ . 1 . 2 .]" 1
1248 1 78 HIS HA 1 78 HIS HB3 . . 2.690 2.338 2.281 2.472 . 0 0 "[ . 1 . 2 .]" 1
1249 1 78 HIS HA 1 78 HIS HB2 . . 2.830 2.517 2.365 2.619 . 0 0 "[ . 1 . 2 .]" 1
1250 1 78 HIS HA 1 79 TYR H . . 3.090 2.798 2.366 3.030 . 0 0 "[ . 1 . 2 .]" 1
1251 1 78 HIS HA 1 112 TYR QE . . 8.130 4.144 4.036 4.550 . 0 0 "[ . 1 . 2 .]" 1
1252 1 78 HIS HA 1 112 TYR HD1 . . 4.150 2.076 2.018 2.307 . 0 0 "[ . 1 . 2 .]" 1
1253 1 78 HIS HA 1 113 PRO HG3 . . 6.020 5.960 5.641 6.096 0.076 3 0 "[ . 1 . 2 .]" 1
1254 1 78 HIS HA 1 113 PRO HD3 . . 4.340 3.878 3.649 3.973 . 0 0 "[ . 1 . 2 .]" 1
1255 1 78 HIS HA 1 113 PRO HD2 . . 5.210 4.796 4.710 4.845 . 0 0 "[ . 1 . 2 .]" 1
1256 1 78 HIS HB3 1 78 HIS HD2 . . 3.480 3.005 2.658 3.742 0.262 10 0 "[ . 1 . 2 .]" 1
1257 1 78 HIS HB2 1 78 HIS HD2 . . 3.910 3.851 3.553 3.970 0.060 4 0 "[ . 1 . 2 .]" 1
1258 1 78 HIS HB2 1 79 TYR H . . 5.210 4.380 4.273 4.481 . 0 0 "[ . 1 . 2 .]" 1
1259 1 79 TYR H 1 112 TYR H . . 4.710 4.187 3.544 4.619 . 0 0 "[ . 1 . 2 .]" 1
1260 1 79 TYR H 1 112 TYR QD . . 8.140 3.933 3.277 4.500 . 0 0 "[ . 1 . 2 .]" 1
1261 1 79 TYR HA 1 79 TYR HB3 . . 2.980 2.502 2.326 2.580 . 0 0 "[ . 1 . 2 .]" 1
1262 1 79 TYR HA 1 79 TYR HB2 . . 2.940 2.364 2.282 2.484 . 0 0 "[ . 1 . 2 .]" 1
1263 1 79 TYR HA 1 80 LEU H . . 2.930 2.301 2.195 2.619 . 0 0 "[ . 1 . 2 .]" 1
1264 1 79 TYR HB2 1 80 LEU H . . 3.480 2.831 1.970 3.146 . 0 0 "[ . 1 . 2 .]" 1
1265 1 79 TYR QE 1 81 LEU QB . . 5.940 3.661 2.038 4.754 . 0 0 "[ . 1 . 2 .]" 1
1266 1 79 TYR QE 1 81 LEU HG . . 8.060 3.621 2.183 5.662 . 0 0 "[ . 1 . 2 .]" 1
1267 1 79 TYR QE 1 81 LEU MD2 . . 9.160 2.896 1.885 5.298 . 0 0 "[ . 1 . 2 .]" 1
1268 1 80 LEU H 1 80 LEU QB . . 3.840 2.166 2.044 2.403 . 0 0 "[ . 1 . 2 .]" 1
1269 1 80 LEU H 1 80 LEU HG . . 3.800 3.420 2.838 3.682 . 0 0 "[ . 1 . 2 .]" 1
1270 1 80 LEU H 1 80 LEU MD1 . . 5.300 3.214 2.574 3.760 . 0 0 "[ . 1 . 2 .]" 1
1271 1 80 LEU H 1 80 LEU MD2 . . 5.010 4.336 4.073 4.480 . 0 0 "[ . 1 . 2 .]" 1
1272 1 80 LEU HA 1 80 LEU HG . . 3.950 2.241 2.102 2.481 . 0 0 "[ . 1 . 2 .]" 1
1273 1 80 LEU HA 1 80 LEU MD2 . . 3.570 2.779 2.354 3.116 . 0 0 "[ . 1 . 2 .]" 1
1274 1 80 LEU HA 1 81 LEU H . . 2.510 2.268 2.143 2.392 . 0 0 "[ . 1 . 2 .]" 1
1275 1 80 LEU HA 1 109 ILE MG . . 7.030 4.323 4.035 4.668 . 0 0 "[ . 1 . 2 .]" 1
1276 1 80 LEU HA 1 110 TYR H . . 4.810 4.285 3.934 4.709 . 0 0 "[ . 1 . 2 .]" 1
1277 1 80 LEU HA 1 111 THR HA . . 3.260 2.162 1.969 2.294 . 0 0 "[ . 1 . 2 .]" 1
1278 1 80 LEU HA 1 111 THR HB . . 5.320 4.129 3.811 4.222 . 0 0 "[ . 1 . 2 .]" 1
1279 1 80 LEU HA 1 112 TYR H . . 4.900 3.589 3.356 3.708 . 0 0 "[ . 1 . 2 .]" 1
1280 1 80 LEU QB 1 109 ILE MG . . 3.860 2.655 2.197 3.156 . 0 0 "[ . 1 . 2 .]" 1
1281 1 80 LEU QB 1 81 LEU H . . 4.020 2.977 2.620 3.381 . 0 0 "[ . 1 . 2 .]" 1
1282 1 80 LEU HG 1 109 ILE MG . . 6.780 4.080 3.843 4.453 . 0 0 "[ . 1 . 2 .]" 1
1283 1 80 LEU HG 1 112 TYR H . . 6.000 4.198 3.875 4.569 . 0 0 "[ . 1 . 2 .]" 1
1284 1 80 LEU MD1 1 109 ILE MG . . 4.820 3.307 2.713 3.805 . 0 0 "[ . 1 . 2 .]" 1
1285 1 80 LEU MD1 1 110 TYR HA . . 5.480 5.228 4.817 6.008 0.528 7 1 "[ . + 1 . 2 .]" 1
1286 1 80 LEU MD1 1 111 THR HB . . 7.030 3.964 3.282 4.627 . 0 0 "[ . 1 . 2 .]" 1
1287 1 80 LEU MD1 1 111 THR MG . . 6.800 2.746 2.103 3.555 . 0 0 "[ . 1 . 2 .]" 1
1288 1 80 LEU MD2 1 81 LEU H . . 5.120 3.035 2.405 3.740 . 0 0 "[ . 1 . 2 .]" 1
1289 1 80 LEU MD2 1 109 ILE MG . . 5.900 1.799 1.686 2.104 . 0 0 "[ . 1 . 2 .]" 1
1290 1 80 LEU MD2 1 110 TYR HA . . 7.030 2.811 2.423 3.407 . 0 0 "[ . 1 . 2 .]" 1
1291 1 80 LEU MD2 1 111 THR HA . . 4.330 2.927 2.486 3.341 . 0 0 "[ . 1 . 2 .]" 1
1292 1 80 LEU MD2 1 111 THR HB . . 7.030 3.923 3.339 4.204 . 0 0 "[ . 1 . 2 .]" 1
1293 1 80 LEU MD2 1 111 THR MG . . 4.530 1.994 1.834 2.262 . 0 0 "[ . 1 . 2 .]" 1
1294 1 80 LEU MD2 1 112 TYR H . . 6.340 4.917 4.495 5.304 . 0 0 "[ . 1 . 2 .]" 1
1295 1 80 LEU MD2 1 118 CYS QB . . 4.210 3.218 2.796 3.776 . 0 0 "[ . 1 . 2 .]" 1
1296 1 81 LEU H 1 81 LEU QB . . 3.590 2.649 2.409 2.859 . 0 0 "[ . 1 . 2 .]" 1
1297 1 81 LEU H 1 81 LEU HG . . 5.140 3.766 2.570 4.590 . 0 0 "[ . 1 . 2 .]" 1
1298 1 81 LEU H 1 81 LEU MD1 . . 4.330 3.619 2.545 4.745 0.415 1 0 "[ . 1 . 2 .]" 1
1299 1 81 LEU H 1 81 LEU MD2 . . 4.620 4.188 3.210 4.669 0.049 11 0 "[ . 1 . 2 .]" 1
1300 1 81 LEU H 1 109 ILE MG . . 7.030 3.797 3.480 4.030 . 0 0 "[ . 1 . 2 .]" 1
1301 1 81 LEU H 1 110 TYR H . . 3.520 2.863 2.558 3.218 . 0 0 "[ . 1 . 2 .]" 1
1302 1 81 LEU H 1 111 THR HA . . 4.600 3.665 3.246 3.858 . 0 0 "[ . 1 . 2 .]" 1
1303 1 81 LEU HA 1 81 LEU QB . . 2.650 2.313 2.167 2.447 . 0 0 "[ . 1 . 2 .]" 1
1304 1 81 LEU HA 1 81 LEU HG . . 4.340 2.731 2.362 3.699 . 0 0 "[ . 1 . 2 .]" 1
1305 1 81 LEU HA 1 82 GLU H . . 2.620 2.140 2.029 2.232 . 0 0 "[ . 1 . 2 .]" 1
1306 1 81 LEU QB 1 81 LEU HG . . 2.540 2.526 2.335 2.608 0.068 8 0 "[ . 1 . 2 .]" 1
1307 1 81 LEU QB 1 110 TYR QD . . 6.840 3.952 3.557 4.883 . 0 0 "[ . 1 . 2 .]" 1
1308 1 81 LEU QB 1 110 TYR QE . . 6.980 2.833 2.446 4.028 . 0 0 "[ . 1 . 2 .]" 1
1309 1 81 LEU QB 1 82 GLU H . . 3.660 3.248 2.749 3.699 0.039 9 0 "[ . 1 . 2 .]" 1
1310 1 81 LEU QB 1 110 TYR HH . . 4.450 3.661 2.684 4.731 0.281 12 0 "[ . 1 . 2 .]" 1
1311 1 81 LEU HG 1 110 TYR QD . . 8.140 5.603 3.427 6.070 . 0 0 "[ . 1 . 2 .]" 1
1312 1 81 LEU HG 1 110 TYR QE . . 7.410 4.532 2.598 4.903 . 0 0 "[ . 1 . 2 .]" 1
1313 1 81 LEU MD1 1 82 GLU H . . 7.030 4.619 1.959 5.356 . 0 0 "[ . 1 . 2 .]" 1
1314 1 81 LEU MD1 1 110 TYR QE . . 9.160 2.720 1.982 4.236 . 0 0 "[ . 1 . 2 .]" 1
1315 1 81 LEU MD2 1 82 GLU H . . 5.610 3.978 2.970 4.896 . 0 0 "[ . 1 . 2 .]" 1
1316 1 81 LEU MD2 1 110 TYR QE . . 3.840 3.509 2.098 4.631 0.791 23 4 "[ . * 1 * . - + .]" 1
1317 1 81 LEU MD2 1 110 TYR HD1 . . 6.470 5.203 3.922 6.143 . 0 0 "[ . 1 . 2 .]" 1
1318 1 81 LEU MD2 1 110 TYR HH . . 5.010 3.617 1.870 5.286 0.276 20 0 "[ . 1 . 2 .]" 1
1319 1 81 LEU MD2 1 112 TYR HA . . 6.130 6.093 4.794 6.740 0.610 14 3 "[ * . 1- +. 2 .]" 1
1320 1 81 LEU MD2 1 112 TYR QD . . 7.010 4.568 2.867 5.816 . 0 0 "[ . 1 . 2 .]" 1
1321 1 82 GLU H 1 82 GLU HB2 . . 3.660 3.717 3.622 3.770 0.110 11 0 "[ . 1 . 2 .]" 1
1322 1 82 GLU H 1 82 GLU QG . . 4.010 2.859 2.569 3.122 . 0 0 "[ . 1 . 2 .]" 1
1323 1 82 GLU HA 1 82 GLU HB3 . . 3.050 2.508 2.417 2.561 . 0 0 "[ . 1 . 2 .]" 1
1324 1 82 GLU HA 1 82 GLU HB2 . . 3.010 2.383 2.330 2.427 . 0 0 "[ . 1 . 2 .]" 1
1325 1 82 GLU HA 1 83 PHE H . . 2.470 2.304 2.162 2.439 . 0 0 "[ . 1 . 2 .]" 1
1326 1 82 GLU HA 1 107 ARG QB . . 5.390 3.575 3.442 3.733 . 0 0 "[ . 1 . 2 .]" 1
1327 1 82 GLU HA 1 107 ARG QG . . 6.000 5.700 5.486 5.891 . 0 0 "[ . 1 . 2 .]" 1
1328 1 82 GLU HA 1 109 ILE HA . . 3.190 2.509 2.253 2.725 . 0 0 "[ . 1 . 2 .]" 1
1329 1 82 GLU HA 1 109 ILE MG . . 6.740 4.104 3.906 4.305 . 0 0 "[ . 1 . 2 .]" 1
1330 1 82 GLU HA 1 109 ILE MD . . 4.110 2.226 1.927 2.634 . 0 0 "[ . 1 . 2 .]" 1
1331 1 82 GLU HA 1 110 TYR H . . 4.200 3.802 3.364 4.153 . 0 0 "[ . 1 . 2 .]" 1
1332 1 82 GLU HA 1 110 TYR QE . . 8.130 4.621 4.154 5.010 . 0 0 "[ . 1 . 2 .]" 1
1333 1 82 GLU HB3 1 107 ARG QB . . 4.130 3.678 3.469 3.944 . 0 0 "[ . 1 . 2 .]" 1
1334 1 82 GLU HB3 1 109 ILE MD . . 4.470 2.171 1.856 2.672 . 0 0 "[ . 1 . 2 .]" 1
1335 1 82 GLU HB2 1 82 GLU QG . . 2.400 2.091 1.970 2.151 . 0 0 "[ . 1 . 2 .]" 1
1336 1 82 GLU HB2 1 83 PHE H . . 3.800 2.650 2.374 2.893 . 0 0 "[ . 1 . 2 .]" 1
1337 1 82 GLU HB2 1 107 ARG QD . . 4.060 2.815 2.424 3.140 . 0 0 "[ . 1 . 2 .]" 1
1338 1 82 GLU HB2 1 109 ILE MG . . 6.670 4.887 4.658 5.065 . 0 0 "[ . 1 . 2 .]" 1
1339 1 82 GLU HB2 1 109 ILE MD . . 4.220 1.977 1.889 2.113 . 0 0 "[ . 1 . 2 .]" 1
1340 1 82 GLU QG 1 107 ARG QB . . 4.450 2.999 2.653 3.346 . 0 0 "[ . 1 . 2 .]" 1
1341 1 82 GLU QG 1 107 ARG QD . . 3.620 2.314 2.035 2.485 . 0 0 "[ . 1 . 2 .]" 1
1342 1 83 PHE H 1 83 PHE HB2 . . 4.160 3.051 2.864 3.251 . 0 0 "[ . 1 . 2 .]" 1
1343 1 83 PHE H 1 83 PHE HB3 . . 3.660 2.835 2.681 3.072 . 0 0 "[ . 1 . 2 .]" 1
1344 1 83 PHE H 1 107 ARG HA . . 6.000 3.859 3.633 4.131 . 0 0 "[ . 1 . 2 .]" 1
1345 1 83 PHE H 1 107 ARG QB . . 5.420 2.207 1.976 2.519 . 0 0 "[ . 1 . 2 .]" 1
1346 1 83 PHE H 1 107 ARG QG . . 6.000 4.266 3.743 4.559 . 0 0 "[ . 1 . 2 .]" 1
1347 1 83 PHE H 1 108 VAL H . . 3.520 2.622 2.470 2.844 . 0 0 "[ . 1 . 2 .]" 1
1348 1 83 PHE H 1 108 VAL MG1 . . 4.830 2.667 2.421 2.996 . 0 0 "[ . 1 . 2 .]" 1
1349 1 83 PHE H 1 108 VAL MG2 . . 7.030 4.593 4.321 4.993 . 0 0 "[ . 1 . 2 .]" 1
1350 1 83 PHE H 1 109 ILE MD . . 6.130 2.898 2.639 3.204 . 0 0 "[ . 1 . 2 .]" 1
1351 1 83 PHE H 1 110 TYR QE . . 8.130 4.730 4.266 5.330 . 0 0 "[ . 1 . 2 .]" 1
1352 1 83 PHE HA 1 84 PRO QG . . 6.000 3.918 3.880 3.987 . 0 0 "[ . 1 . 2 .]" 1
1353 1 83 PHE HA 1 84 PRO HD2 . . 2.800 2.522 2.376 2.675 . 0 0 "[ . 1 . 2 .]" 1
1354 1 83 PHE HA 1 84 PRO HD3 . . 3.840 2.037 1.973 2.122 . 0 0 "[ . 1 . 2 .]" 1
1355 1 83 PHE HA 1 107 ARG QD . . 6.000 2.989 2.575 3.430 . 0 0 "[ . 1 . 2 .]" 1
1356 1 83 PHE HB2 1 84 PRO HD2 . . 3.800 4.246 4.044 4.459 0.659 21 8 "[ ** * 1 * . *2+-* .]" 1
1357 1 83 PHE HB2 1 108 VAL MG1 . . 4.720 2.799 2.558 3.017 . 0 0 "[ . 1 . 2 .]" 1
1358 1 83 PHE HB2 1 110 TYR QE . . 5.400 2.929 2.528 3.438 . 0 0 "[ . 1 . 2 .]" 1
1359 1 83 PHE HB2 1 110 TYR HH . . 6.000 3.746 2.862 4.473 . 0 0 "[ . 1 . 2 .]" 1
1360 1 83 PHE HB3 1 108 VAL MG1 . . 4.040 1.867 1.837 1.908 . 0 0 "[ . 1 . 2 .]" 1
1361 1 83 PHE HB3 1 108 VAL MG2 . . 6.960 4.280 4.175 4.583 . 0 0 "[ . 1 . 2 .]" 1
1362 1 83 PHE HB3 1 110 TYR QE . . 5.610 3.751 3.299 4.131 . 0 0 "[ . 1 . 2 .]" 1
1363 1 83 PHE QD 1 84 PRO HD2 . . 7.080 2.703 2.511 2.922 . 0 0 "[ . 1 . 2 .]" 1
1364 1 83 PHE QD 1 84 PRO HD3 . . 8.120 3.319 2.923 3.929 . 0 0 "[ . 1 . 2 .]" 1
1365 1 83 PHE QD 1 85 THR HB . . 8.120 3.214 2.514 3.917 . 0 0 "[ . 1 . 2 .]" 1
1366 1 83 PHE QD 1 94 PHE QD . . 10.240 4.980 4.675 5.171 . 0 0 "[ . 1 . 2 .]" 1
1367 1 83 PHE QD 1 94 PHE QE . . 10.240 5.370 5.036 5.713 . 0 0 "[ . 1 . 2 .]" 1
1368 1 83 PHE QD 1 94 PHE HZ . . 7.370 6.459 5.848 6.873 . 0 0 "[ . 1 . 2 .]" 1
1369 1 83 PHE QD 1 107 ARG QB . . 8.120 5.286 5.000 5.516 . 0 0 "[ . 1 . 2 .]" 1
1370 1 83 PHE QD 1 108 VAL MG1 . . 8.360 2.662 2.344 2.894 . 0 0 "[ . 1 . 2 .]" 1
1371 1 83 PHE QD 1 110 TYR QE . . 10.250 4.526 4.247 4.811 . 0 0 "[ . 1 . 2 .]" 1
1372 1 83 PHE QE 1 92 TYR H . . 8.120 4.662 4.177 4.956 . 0 0 "[ . 1 . 2 .]" 1
1373 1 83 PHE QE 1 92 TYR QB . . 7.760 3.908 3.524 4.276 . 0 0 "[ . 1 . 2 .]" 1
1374 1 83 PHE QE 1 94 PHE H . . 8.120 5.109 4.777 5.339 . 0 0 "[ . 1 . 2 .]" 1
1375 1 83 PHE QE 1 94 PHE QB . . 7.040 2.792 2.473 3.570 . 0 0 "[ . 1 . 2 .]" 1
1376 1 83 PHE QE 1 94 PHE QD . . 10.240 3.192 2.823 3.415 . 0 0 "[ . 1 . 2 .]" 1
1377 1 83 PHE QE 1 94 PHE QE . . 8.010 3.403 2.883 3.736 . 0 0 "[ . 1 . 2 .]" 1
1378 1 83 PHE QE 1 94 PHE HZ . . 7.830 4.459 3.618 4.918 . 0 0 "[ . 1 . 2 .]" 1
1379 1 83 PHE QE 1 91 ASP HA . . 5.900 4.921 4.490 5.176 . 0 0 "[ . 1 . 2 .]" 1
1380 1 83 PHE HZ 1 91 ASP HA . . 5.350 5.536 4.757 5.999 0.649 21 10 "[ -** ** * **2+* .]" 1
1381 1 83 PHE HZ 1 92 TYR H . . 6.000 4.986 4.016 5.788 . 0 0 "[ . 1 . 2 .]" 1
1382 1 83 PHE HZ 1 92 TYR QB . . 3.800 3.719 3.046 4.161 0.361 21 0 "[ . 1 . 2 .]" 1
1383 1 83 PHE HZ 1 94 PHE QB . . 3.620 3.424 2.775 3.710 0.090 16 0 "[ . 1 . 2 .]" 1
1384 1 83 PHE HZ 1 94 PHE QD . . 5.420 2.604 2.074 2.947 . 0 0 "[ . 1 . 2 .]" 1
1385 1 83 PHE HZ 1 94 PHE QE . . 7.190 2.754 2.125 3.299 . 0 0 "[ . 1 . 2 .]" 1
1386 1 84 PRO HA 1 84 PRO HB3 . . 2.900 2.273 2.214 2.306 . 0 0 "[ . 1 . 2 .]" 1
1387 1 84 PRO HA 1 85 THR H . . 2.470 2.130 2.020 2.255 . 0 0 "[ . 1 . 2 .]" 1
1388 1 84 PRO HA 1 85 THR HB . . 4.620 4.857 4.698 5.029 0.409 25 0 "[ . 1 . 2 .]" 1
1389 1 84 PRO HA 1 85 THR MG . . 7.030 3.686 3.444 4.110 . 0 0 "[ . 1 . 2 .]" 1
1390 1 84 PRO HA 1 107 ARG HA . . 2.940 2.820 2.592 3.356 0.416 25 0 "[ . 1 . 2 .]" 1
1391 1 84 PRO HA 1 107 ARG QD . . 3.340 2.458 2.299 2.702 . 0 0 "[ . 1 . 2 .]" 1
1392 1 84 PRO HA 1 108 VAL H . . 4.240 4.242 4.044 4.813 0.573 25 2 "[ . 1- . 2 +]" 1
1393 1 84 PRO HB3 1 85 THR H . . 4.090 4.232 3.962 4.402 0.312 6 0 "[ . 1 . 2 .]" 1
1394 1 84 PRO HB3 1 86 PHE QE . . 8.120 4.606 3.699 5.588 . 0 0 "[ . 1 . 2 .]" 1
1395 1 84 PRO HB3 1 86 PHE HZ . . 5.030 5.004 3.736 5.942 0.912 4 4 "[ +* 1 . 2 -*.]" 1
1396 1 84 PRO HB3 1 103 PRO HA . . 4.810 3.934 3.170 4.598 . 0 0 "[ . 1 . 2 .]" 1
1397 1 84 PRO HB2 1 85 THR H . . 4.920 4.049 3.696 4.247 . 0 0 "[ . 1 . 2 .]" 1
1398 1 84 PRO HB2 1 86 PHE QD . . 8.120 4.353 3.634 5.090 . 0 0 "[ . 1 . 2 .]" 1
1399 1 84 PRO HB2 1 86 PHE QE . . 7.800 3.222 2.363 4.371 . 0 0 "[ . 1 . 2 .]" 1
1400 1 84 PRO HB2 1 86 PHE HZ . . 6.000 3.692 2.652 4.458 . 0 0 "[ . 1 . 2 .]" 1
1401 1 84 PRO HB2 1 92 TYR QB . . 4.880 4.267 3.419 4.684 . 0 0 "[ . 1 . 2 .]" 1
1402 1 84 PRO HB2 1 103 PRO QB . . 5.060 4.046 2.915 4.900 . 0 0 "[ . 1 . 2 .]" 1
1403 1 84 PRO QG 1 103 PRO HA . . 5.420 3.652 2.989 4.359 . 0 0 "[ . 1 . 2 .]" 1
1404 1 84 PRO QG 1 103 PRO QB . . 4.920 3.274 2.752 3.850 . 0 0 "[ . 1 . 2 .]" 1
1405 1 84 PRO QG 1 107 ARG QG . . 5.170 4.249 4.169 4.529 . 0 0 "[ . 1 . 2 .]" 1
1406 1 85 THR H 1 85 THR HB . . 3.550 3.071 2.820 3.413 . 0 0 "[ . 1 . 2 .]" 1
1407 1 85 THR H 1 85 THR MG . . 4.110 2.031 1.945 2.355 . 0 0 "[ . 1 . 2 .]" 1
1408 1 85 THR H 1 106 ALA MB . . 5.910 4.294 3.945 4.680 . 0 0 "[ . 1 . 2 .]" 1
1409 1 85 THR H 1 107 ARG HA . . 3.260 2.424 2.037 2.727 . 0 0 "[ . 1 . 2 .]" 1
1410 1 85 THR H 1 108 VAL H . . 4.600 3.568 3.038 4.133 . 0 0 "[ . 1 . 2 .]" 1
1411 1 85 THR HA 1 85 THR HB . . 2.620 2.360 2.305 2.447 . 0 0 "[ . 1 . 2 .]" 1
1412 1 85 THR HA 1 85 THR HG1 . . 4.090 2.823 2.219 3.212 . 0 0 "[ . 1 . 2 .]" 1
1413 1 85 THR HA 1 86 PHE H . . 3.050 2.109 2.023 2.206 . 0 0 "[ . 1 . 2 .]" 1
1414 1 85 THR HA 1 86 PHE QD . . 6.430 3.721 2.846 4.272 . 0 0 "[ . 1 . 2 .]" 1
1415 1 85 THR HA 1 108 VAL MG1 . . 6.020 4.543 3.905 4.959 . 0 0 "[ . 1 . 2 .]" 1
1416 1 85 THR HA 1 108 VAL MG2 . . 7.030 6.786 6.093 7.201 0.171 4 0 "[ . 1 . 2 .]" 1
1417 1 85 THR HB 1 86 PHE H . . 4.990 4.241 4.064 4.444 . 0 0 "[ . 1 . 2 .]" 1
1418 1 85 THR HB 1 108 VAL H . . 4.270 3.890 3.227 4.364 0.094 7 0 "[ . 1 . 2 .]" 1
1419 1 85 THR HB 1 108 VAL HA . . 6.000 5.691 4.760 6.186 0.186 7 0 "[ . 1 . 2 .]" 1
1420 1 85 THR HB 1 108 VAL HB . . 2.650 3.752 2.810 4.278 1.628 7 24 [*****-+*******.**********] 1
1421 1 85 THR HB 1 108 VAL MG1 . . 3.930 2.774 2.057 3.301 . 0 0 "[ . 1 . 2 .]" 1
1422 1 85 THR HB 1 108 VAL MG2 . . 7.030 4.862 4.261 5.348 . 0 0 "[ . 1 . 2 .]" 1
1423 1 85 THR HB 1 120 ILE QG . . 6.000 6.136 4.182 7.622 1.622 4 14 "[ **+* * *1- **. * * ***]" 1
1424 1 85 THR MG 1 86 PHE QD . . 9.150 5.449 4.923 5.780 . 0 0 "[ . 1 . 2 .]" 1
1425 1 85 THR MG 1 106 ALA MB . . 5.140 3.183 2.504 3.678 . 0 0 "[ . 1 . 2 .]" 1
1426 1 85 THR MG 1 107 ARG H . . 4.470 4.053 3.321 4.426 . 0 0 "[ . 1 . 2 .]" 1
1427 1 85 THR MG 1 107 ARG HA . . 5.550 2.419 1.967 2.730 . 0 0 "[ . 1 . 2 .]" 1
1428 1 85 THR MG 1 108 VAL H . . 5.980 2.468 2.254 2.847 . 0 0 "[ . 1 . 2 .]" 1
1429 1 85 THR MG 1 108 VAL HA . . 5.080 3.699 3.313 3.909 . 0 0 "[ . 1 . 2 .]" 1
1430 1 85 THR MG 1 108 VAL HB . . 4.180 2.589 2.031 3.114 . 0 0 "[ . 1 . 2 .]" 1
1431 1 85 THR MG 1 108 VAL MG1 . . 5.210 2.645 2.034 3.284 . 0 0 "[ . 1 . 2 .]" 1
1432 1 85 THR MG 1 120 ILE HA . . 5.980 4.778 4.235 5.164 . 0 0 "[ . 1 . 2 .]" 1
1433 1 85 THR MG 1 120 ILE MG . . 5.540 3.097 2.652 3.619 . 0 0 "[ . 1 . 2 .]" 1
1434 1 85 THR MG 1 120 ILE QG . . 3.640 3.653 2.184 4.858 1.218 4 14 "[ **+* * *1* **. * * *-*]" 1
1435 1 85 THR MG 1 120 ILE MD . . 5.460 3.006 2.493 3.563 . 0 0 "[ . 1 . 2 .]" 1
1436 1 85 THR HG1 1 86 PHE H . . 5.060 3.476 2.782 4.288 . 0 0 "[ . 1 . 2 .]" 1
1437 1 85 THR HG1 1 91 ASP HA . . 5.820 7.382 5.797 8.846 3.026 25 22 "[ ** *-************ *****+]" 1
1438 1 86 PHE H 1 86 PHE QB . . 3.770 2.368 2.222 2.621 . 0 0 "[ . 1 . 2 .]" 1
1439 1 86 PHE HA 1 87 PRO QB . . 5.000 4.684 4.622 4.920 . 0 0 "[ . 1 . 2 .]" 1
1440 1 86 PHE HA 1 87 PRO HG2 . . 6.000 4.710 4.629 4.753 . 0 0 "[ . 1 . 2 .]" 1
1441 1 86 PHE HA 1 87 PRO HD3 . . 2.690 2.111 2.033 2.286 . 0 0 "[ . 1 . 2 .]" 1
1442 1 86 PHE HA 1 87 PRO HD2 . . 3.550 2.802 2.682 2.855 . 0 0 "[ . 1 . 2 .]" 1
1443 1 86 PHE HA 1 106 ALA MB . . 6.810 5.091 4.856 5.213 . 0 0 "[ . 1 . 2 .]" 1
1444 1 86 PHE QB 1 87 PRO HD2 . . 3.440 2.106 2.020 2.334 . 0 0 "[ . 1 . 2 .]" 1
1445 1 86 PHE QB 1 88 ASP H . . 4.450 2.955 2.879 3.057 . 0 0 "[ . 1 . 2 .]" 1
1446 1 86 PHE QB 1 89 GLY H . . 4.810 3.009 2.655 3.196 . 0 0 "[ . 1 . 2 .]" 1
1447 1 86 PHE QB 1 90 HIS H . . 3.080 3.507 2.888 3.891 0.811 25 11 "[ * -. *1 *** ** ** +]" 1
1448 1 86 PHE QB 1 90 HIS HD2 . . 4.880 4.198 3.750 4.449 . 0 0 "[ . 1 . 2 .]" 1
1449 1 86 PHE QB 1 90 HIS HE1 . . 5.390 3.466 2.951 4.125 . 0 0 "[ . 1 . 2 .]" 1
1450 1 86 PHE QD 1 87 PRO HD3 . . 8.120 3.525 3.001 4.109 . 0 0 "[ . 1 . 2 .]" 1
1451 1 86 PHE QD 1 87 PRO HD2 . . 7.620 3.222 2.894 4.101 . 0 0 "[ . 1 . 2 .]" 1
1452 1 86 PHE QD 1 90 HIS HE1 . . 6.610 3.722 2.105 4.249 . 0 0 "[ . 1 . 2 .]" 1
1453 1 86 PHE QD 1 92 TYR HA . . 7.620 4.038 2.872 5.361 . 0 0 "[ . 1 . 2 .]" 1
1454 1 86 PHE QD 1 92 TYR QB . . 6.750 2.716 2.082 4.124 . 0 0 "[ . 1 . 2 .]" 1
1455 1 86 PHE QD 1 92 TYR QD . . 10.260 3.992 2.892 4.753 . 0 0 "[ . 1 . 2 .]" 1
1456 1 86 PHE QD 1 103 PRO HA . . 8.120 5.762 4.652 6.557 . 0 0 "[ . 1 . 2 .]" 1
1457 1 86 PHE QD 1 104 GLY QA . . 7.910 4.198 3.039 7.512 . 0 0 "[ . 1 . 2 .]" 1
1458 1 86 PHE QE 1 90 HIS HE1 . . 7.650 4.557 2.863 5.045 . 0 0 "[ . 1 . 2 .]" 1
1459 1 86 PHE QE 1 91 ASP HA . . 6.930 6.220 3.795 6.933 0.003 9 0 "[ . 1 . 2 .]" 1
1460 1 86 PHE QE 1 92 TYR H . . 8.120 4.255 2.224 5.391 . 0 0 "[ . 1 . 2 .]" 1
1461 1 86 PHE QE 1 92 TYR HA . . 6.390 3.512 2.024 4.803 . 0 0 "[ . 1 . 2 .]" 1
1462 1 86 PHE QE 1 92 TYR QB . . 5.600 2.157 2.026 2.838 . 0 0 "[ . 1 . 2 .]" 1
1463 1 86 PHE QE 1 92 TYR QD . . 10.260 2.672 2.035 3.282 . 0 0 "[ . 1 . 2 .]" 1
1464 1 86 PHE QE 1 94 PHE QD . . 10.240 5.077 4.546 5.419 . 0 0 "[ . 1 . 2 .]" 1
1465 1 86 PHE QE 1 103 PRO HA . . 7.870 3.796 2.703 4.473 . 0 0 "[ . 1 . 2 .]" 1
1466 1 86 PHE QE 1 104 GLY QA . . 7.190 3.410 2.229 6.007 . 0 0 "[ . 1 . 2 .]" 1
1467 1 86 PHE HZ 1 90 HIS HE1 . . 6.000 5.824 4.688 6.092 0.092 17 0 "[ . 1 . 2 .]" 1
1468 1 86 PHE HZ 1 92 TYR HA . . 6.000 5.073 3.563 5.927 . 0 0 "[ . 1 . 2 .]" 1
1469 1 86 PHE HZ 1 92 TYR QB . . 6.000 3.808 2.417 4.293 . 0 0 "[ . 1 . 2 .]" 1
1470 1 86 PHE HZ 1 92 TYR QD . . 6.520 3.649 2.435 4.727 . 0 0 "[ . 1 . 2 .]" 1
1471 1 86 PHE HZ 1 103 PRO HA . . 3.230 2.957 2.072 3.632 0.402 13 0 "[ . 1 . 2 .]" 1
1472 1 87 PRO HA 1 87 PRO HG2 . . 4.090 4.052 4.026 4.080 . 0 0 "[ . 1 . 2 .]" 1
1473 1 87 PRO QB 1 88 ASP H . . 3.590 2.949 2.878 3.016 . 0 0 "[ . 1 . 2 .]" 1
1474 1 87 PRO HG2 1 88 ASP HB2 . . 5.500 4.916 3.826 5.930 0.430 16 0 "[ . 1 . 2 .]" 1
1475 1 87 PRO HD3 1 87 PRO HG3 . . 3.050 2.262 2.225 2.283 . 0 0 "[ . 1 . 2 .]" 1
1476 1 87 PRO HD2 1 87 PRO HG3 . . 2.980 2.849 2.827 2.870 . 0 0 "[ . 1 . 2 .]" 1
1477 1 87 PRO HD2 1 88 ASP H . . 4.420 2.269 2.223 2.310 . 0 0 "[ . 1 . 2 .]" 1
1478 1 88 ASP H 1 88 ASP HB2 . . 4.130 2.680 2.086 3.595 . 0 0 "[ . 1 . 2 .]" 1
1479 1 88 ASP H 1 88 ASP HB3 . . 3.480 3.318 2.379 3.590 0.110 9 0 "[ . 1 . 2 .]" 1
1480 1 88 ASP H 1 89 GLY H . . 3.260 2.854 2.685 2.923 . 0 0 "[ . 1 . 2 .]" 1
1481 1 88 ASP HA 1 88 ASP HB2 . . 2.830 2.876 2.356 3.014 0.184 11 0 "[ . 1 . 2 .]" 1
1482 1 88 ASP HA 1 88 ASP HB3 . . 3.050 2.601 2.304 3.016 . 0 0 "[ . 1 . 2 .]" 1
1483 1 89 GLY H 1 89 GLY HA3 . . 2.760 2.911 2.843 2.965 0.205 21 0 "[ . 1 . 2 .]" 1
1484 1 89 GLY HA3 1 90 HIS H . . 3.230 3.268 3.065 3.469 0.239 11 0 "[ . 1 . 2 .]" 1
1485 1 90 HIS H 1 90 HIS HB3 . . 3.340 2.548 2.331 2.735 . 0 0 "[ . 1 . 2 .]" 1
1486 1 90 HIS HA 1 90 HIS HB2 . . 2.620 2.377 2.326 2.413 . 0 0 "[ . 1 . 2 .]" 1
1487 1 90 HIS HA 1 90 HIS HB3 . . 2.760 2.497 2.440 2.554 . 0 0 "[ . 1 . 2 .]" 1
1488 1 90 HIS HA 1 91 ASP H . . 3.090 2.186 2.062 2.357 . 0 0 "[ . 1 . 2 .]" 1
1489 1 90 HIS HB2 1 90 HIS HD2 . . 3.520 3.057 2.836 3.257 . 0 0 "[ . 1 . 2 .]" 1
1490 1 90 HIS HB2 1 91 ASP H . . 3.700 3.207 2.575 3.407 . 0 0 "[ . 1 . 2 .]" 1
1491 1 90 HIS HD2 1 91 ASP H . . 5.060 3.991 3.600 4.280 . 0 0 "[ . 1 . 2 .]" 1
1492 1 90 HIS HD2 1 91 ASP HA . . 5.680 4.155 3.505 4.530 . 0 0 "[ . 1 . 2 .]" 1
1493 1 90 HIS HD2 1 92 TYR H . . 6.000 3.168 2.237 4.187 . 0 0 "[ . 1 . 2 .]" 1
1494 1 90 HIS HD2 1 92 TYR HA . . 3.700 2.518 2.192 3.131 . 0 0 "[ . 1 . 2 .]" 1
1495 1 90 HIS HD2 1 92 TYR QD . . 4.970 3.812 2.406 4.468 . 0 0 "[ . 1 . 2 .]" 1
1496 1 90 HIS HD2 1 93 LYS H . . 4.920 4.444 3.724 5.448 0.528 17 1 "[ . 1 . + 2 .]" 1
1497 1 90 HIS HE1 1 92 TYR HA . . 6.000 5.731 5.386 6.246 0.246 15 0 "[ . 1 . 2 .]" 1
1498 1 91 ASP H 1 91 ASP QB . . 3.310 2.235 2.128 2.737 . 0 0 "[ . 1 . 2 .]" 1
1499 1 91 ASP HA 1 91 ASP QB . . 2.760 2.362 2.134 2.499 . 0 0 "[ . 1 . 2 .]" 1
1500 1 91 ASP HA 1 92 TYR H . . 3.010 2.227 2.112 2.343 . 0 0 "[ . 1 . 2 .]" 1
1501 1 91 ASP HA 1 94 PHE QD . . 7.870 4.894 4.444 5.286 . 0 0 "[ . 1 . 2 .]" 1
1502 1 91 ASP QB 1 92 TYR H . . 5.210 3.928 3.562 4.064 . 0 0 "[ . 1 . 2 .]" 1
1503 1 92 TYR H 1 92 TYR QB . . 3.010 2.256 1.998 2.851 . 0 0 "[ . 1 . 2 .]" 1
1504 1 92 TYR HA 1 93 LYS H . . 2.690 2.265 2.182 2.487 . 0 0 "[ . 1 . 2 .]" 1
1505 1 92 TYR QB 1 93 LYS H . . 5.030 3.498 2.867 3.828 . 0 0 "[ . 1 . 2 .]" 1
1506 1 92 TYR QB 1 94 PHE QE . . 8.120 3.396 2.836 3.938 . 0 0 "[ . 1 . 2 .]" 1
1507 1 92 TYR QD 1 103 PRO HA . . 8.140 4.985 3.941 6.276 . 0 0 "[ . 1 . 2 .]" 1
1508 1 93 LYS H 1 93 LYS HA . . 2.940 2.920 2.862 2.995 0.055 21 0 "[ . 1 . 2 .]" 1
1509 1 93 LYS H 1 93 LYS QB . . 2.510 2.799 2.697 3.049 0.539 16 1 "[ . 1 .+ 2 .]" 1
1510 1 93 LYS H 1 93 LYS HG2 . . 3.770 2.026 1.938 2.280 . 0 0 "[ . 1 . 2 .]" 1
1511 1 93 LYS H 1 93 LYS HG3 . . 3.730 2.337 2.033 2.577 . 0 0 "[ . 1 . 2 .]" 1
1512 1 93 LYS HA 1 93 LYS QB . . 2.580 2.144 2.088 2.167 . 0 0 "[ . 1 . 2 .]" 1
1513 1 93 LYS HA 1 93 LYS HG2 . . 4.160 3.756 3.202 3.931 . 0 0 "[ . 1 . 2 .]" 1
1514 1 93 LYS HA 1 94 PHE H . . 2.510 2.462 2.381 2.536 0.026 6 0 "[ . 1 . 2 .]" 1
1515 1 93 LYS HA 1 94 PHE QD . . 7.440 4.322 4.151 4.610 . 0 0 "[ . 1 . 2 .]" 1
1516 1 93 LYS HA 1 94 PHE QE . . 8.120 5.004 4.857 5.300 . 0 0 "[ . 1 . 2 .]" 1
1517 1 93 LYS HA 1 95 ASP H . . 4.160 2.977 2.889 3.185 . 0 0 "[ . 1 . 2 .]" 1
1518 1 93 LYS QB 1 94 PHE H . . 4.060 3.954 3.884 4.025 . 0 0 "[ . 1 . 2 .]" 1
1519 1 93 LYS QB 1 96 SER H . . 3.010 3.085 2.910 3.349 0.339 16 0 "[ . 1 . 2 .]" 1
1520 1 93 LYS QB 1 96 SER QB . . 4.390 2.285 2.011 3.206 . 0 0 "[ . 1 . 2 .]" 1
1521 1 93 LYS HG3 1 96 SER QB . . 6.880 4.421 3.938 5.647 . 0 0 "[ . 1 . 2 .]" 1
1522 1 93 LYS HG3 1 101 GLU H . . 3.300 2.380 1.951 3.083 . 0 0 "[ . 1 . 2 .]" 1
1523 1 94 PHE H 1 94 PHE QB . . 3.410 2.732 2.656 2.900 . 0 0 "[ . 1 . 2 .]" 1
1524 1 94 PHE H 1 94 PHE QD . . 5.670 2.363 2.192 2.767 . 0 0 "[ . 1 . 2 .]" 1
1525 1 94 PHE H 1 95 ASP H . . 3.840 2.462 2.294 2.742 . 0 0 "[ . 1 . 2 .]" 1
1526 1 94 PHE HA 1 94 PHE QB . . 2.580 2.167 2.101 2.215 . 0 0 "[ . 1 . 2 .]" 1
1527 1 94 PHE QB 1 95 ASP H . . 4.090 3.762 3.512 4.003 . 0 0 "[ . 1 . 2 .]" 1
1528 1 94 PHE QD 1 95 ASP H . . 7.620 3.476 2.466 3.911 . 0 0 "[ . 1 . 2 .]" 1
1529 1 94 PHE QD 1 95 ASP HA . . 7.040 3.479 3.050 3.851 . 0 0 "[ . 1 . 2 .]" 1
1530 1 94 PHE QD 1 95 ASP HB2 . . 6.900 3.572 2.698 5.003 . 0 0 "[ . 1 . 2 .]" 1
1531 1 94 PHE QE 1 95 ASP HA . . 8.120 4.897 4.654 5.281 . 0 0 "[ . 1 . 2 .]" 1
1532 1 94 PHE QE 1 95 ASP HB2 . . 8.120 3.727 3.087 5.288 . 0 0 "[ . 1 . 2 .]" 1
1533 1 95 ASP H 1 95 ASP HB3 . . 3.190 2.648 2.196 3.324 0.134 19 0 "[ . 1 . 2 .]" 1
1534 1 95 ASP H 1 96 SER H . . 3.260 2.150 1.941 2.367 . 0 0 "[ . 1 . 2 .]" 1
1535 1 95 ASP HA 1 95 ASP HB2 . . 2.870 2.606 2.348 2.987 0.117 19 0 "[ . 1 . 2 .]" 1
1536 1 95 ASP HA 1 95 ASP HB3 . . 2.980 2.980 2.312 3.057 0.077 4 0 "[ . 1 . 2 .]" 1
1537 1 95 ASP HA 1 96 SER H . . 3.620 3.513 3.445 3.570 . 0 0 "[ . 1 . 2 .]" 1
1538 1 95 ASP HA 1 96 SER QB . . 5.690 5.376 5.181 5.625 . 0 0 "[ . 1 . 2 .]" 1
1539 1 95 ASP HB2 1 96 SER H . . 5.140 3.756 3.010 4.197 . 0 0 "[ . 1 . 2 .]" 1
1540 1 95 ASP HB3 1 96 SER H . . 5.100 2.902 2.621 4.140 . 0 0 "[ . 1 . 2 .]" 1
1541 1 96 SER HA 1 97 LYS H . . 2.510 2.132 2.062 2.206 . 0 0 "[ . 1 . 2 .]" 1
1542 1 96 SER QB 1 97 LYS H . . 4.610 3.647 3.377 3.900 . 0 0 "[ . 1 . 2 .]" 1
1543 1 96 SER QB 1 100 LYS HA . . 3.960 4.153 3.694 4.860 0.900 15 4 "[ . *- +* 2 .]" 1
1544 1 96 SER QB 1 101 GLU H . . 5.900 5.431 4.935 6.192 0.292 15 0 "[ . 1 . 2 .]" 1
1545 1 97 LYS H 1 97 LYS QB . . 3.620 2.246 2.197 2.328 . 0 0 "[ . 1 . 2 .]" 1
1546 1 97 LYS H 1 97 LYS QG . . 4.420 2.751 2.650 2.927 . 0 0 "[ . 1 . 2 .]" 1
1547 1 97 LYS H 1 98 LYS H . . 3.410 2.751 2.476 2.827 . 0 0 "[ . 1 . 2 .]" 1
1548 1 97 LYS HA 1 97 LYS QG . . 3.080 3.306 3.280 3.403 0.323 21 0 "[ . 1 . 2 .]" 1
1549 1 97 LYS HA 1 98 LYS H . . 3.720 3.521 3.366 3.587 . 0 0 "[ . 1 . 2 .]" 1
1550 1 97 LYS HA 1 100 LYS QB . . 3.050 3.631 3.474 3.824 0.774 15 16 "[ *.** ** **+****2*-* *]" 1
1551 1 97 LYS QB 1 97 LYS QG . . 2.400 2.108 2.038 2.128 . 0 0 "[ . 1 . 2 .]" 1
1552 1 97 LYS QB 1 98 LYS H . . 3.260 3.331 3.279 3.421 0.161 10 0 "[ . 1 . 2 .]" 1
1553 1 97 LYS QG 1 100 LYS QD . . 4.920 6.287 5.365 7.463 2.543 13 24 [*********1**+*-**********] 1
1554 1 98 LYS H 1 98 LYS HA . . 3.080 2.881 2.819 2.984 . 0 0 "[ . 1 . 2 .]" 1
1555 1 98 LYS HA 1 98 LYS HB2 . . 3.120 2.602 2.189 3.004 . 0 0 "[ . 1 . 2 .]" 1
1556 1 98 LYS HA 1 98 LYS HB3 . . 2.900 2.804 2.324 3.033 0.133 21 0 "[ . 1 . 2 .]" 1
1557 1 98 LYS HA 1 98 LYS HG3 . . 3.910 2.902 2.061 3.687 . 0 0 "[ . 1 . 2 .]" 1
1558 1 98 LYS HA 1 98 LYS HG2 . . 4.380 2.822 2.017 4.153 . 0 0 "[ . 1 . 2 .]" 1
1559 1 98 LYS HA 1 99 PRO HA . . 2.400 2.007 1.934 2.146 . 0 0 "[ . 1 . 2 .]" 1
1560 1 98 LYS HA 1 100 LYS H . . 3.990 3.493 3.347 3.596 . 0 0 "[ . 1 . 2 .]" 1
1561 1 98 LYS HA 1 100 LYS QD . . 6.000 5.512 4.590 6.186 0.186 10 0 "[ . 1 . 2 .]" 1
1562 1 98 LYS HB2 1 98 LYS HG3 . . 2.400 2.538 2.250 3.000 0.600 10 4 "[ . + *- . * 2 .]" 1
1563 1 98 LYS HB2 1 99 PRO HA . . 3.830 3.805 2.623 4.499 0.669 15 2 "[ . - + 2 .]" 1
1564 1 98 LYS HB3 1 99 PRO HA . . 3.870 3.697 2.819 4.336 0.466 13 0 "[ . 1 . 2 .]" 1
1565 1 98 LYS HG3 1 99 PRO HA . . 5.320 3.494 2.072 4.832 . 0 0 "[ . 1 . 2 .]" 1
1566 1 98 LYS HG2 1 99 PRO HA . . 6.000 3.048 2.023 5.335 . 0 0 "[ . 1 . 2 .]" 1
1567 1 99 PRO HA 1 99 PRO QG . . 2.830 3.483 3.456 3.501 0.671 19 25 [*********-********+******] 1
1568 1 99 PRO QB 1 100 LYS H . . 3.910 2.323 2.278 2.457 . 0 0 "[ . 1 . 2 .]" 1
1569 1 99 PRO QB 1 100 LYS QB . . 3.630 4.464 4.299 4.691 1.061 13 25 [*********-**+************] 1
1570 1 99 PRO QG 1 100 LYS H . . 3.550 4.125 4.096 4.200 0.650 9 25 [**-*****+****************] 1
1571 1 100 LYS H 1 100 LYS QB . . 2.940 2.804 2.498 3.047 0.107 7 0 "[ . 1 . 2 .]" 1
1572 1 100 LYS HA 1 100 LYS QB . . 2.800 2.191 2.058 2.616 . 0 0 "[ . 1 . 2 .]" 1
1573 1 100 LYS HA 1 100 LYS QG . . 3.120 2.934 1.996 3.488 0.368 13 0 "[ . 1 . 2 .]" 1
1574 1 100 LYS HA 1 101 GLU H . . 2.440 2.183 2.072 2.288 . 0 0 "[ . 1 . 2 .]" 1
1575 1 100 LYS QB 1 100 LYS QD . . 2.400 2.132 2.018 2.244 . 0 0 "[ . 1 . 2 .]" 1
1576 1 100 LYS QD 1 103 PRO QD . . 5.710 4.644 3.071 5.961 0.251 6 0 "[ . 1 . 2 .]" 1
1577 1 101 GLU H 1 101 GLU HB3 . . 2.900 2.765 2.301 3.024 0.124 18 0 "[ . 1 . 2 .]" 1
1578 1 101 GLU H 1 101 GLU HB2 . . 2.800 2.553 2.207 3.011 0.211 7 0 "[ . 1 . 2 .]" 1
1579 1 101 GLU HA 1 101 GLU HB2 . . 2.400 2.625 2.309 2.828 0.428 12 0 "[ . 1 . 2 .]" 1
1580 1 101 GLU HA 1 101 GLU HG2 . . 3.160 3.180 2.059 3.873 0.713 10 6 "[ * + * . 2 **-]" 1
1581 1 101 GLU HA 1 101 GLU HG3 . . 2.720 2.647 2.080 3.317 0.597 14 4 "[ * - *+. 2 .]" 1
1582 1 102 ASN H 1 102 ASN HB2 . . 3.010 2.236 2.060 2.965 . 0 0 "[ . 1 . 2 .]" 1
1583 1 102 ASN H 1 102 ASN HB3 . . 2.900 3.120 2.404 3.415 0.515 19 3 "[ . * 1 . +2 - .]" 1
1584 1 102 ASN HA 1 102 ASN HB3 . . 2.870 2.921 2.788 3.054 0.184 7 0 "[ . 1 . 2 .]" 1
1585 1 102 ASN HA 1 103 PRO QB . . 5.090 4.665 4.581 4.703 . 0 0 "[ . 1 . 2 .]" 1
1586 1 102 ASN HA 1 103 PRO QD . . 2.540 2.000 1.940 2.054 . 0 0 "[ . 1 . 2 .]" 1
1587 1 102 ASN HB3 1 103 PRO HA . . 4.600 4.808 4.542 5.452 0.852 7 5 "[ . + *1 .* 2-* .]" 1
1588 1 103 PRO QB 1 103 PRO QD . . 3.120 2.984 2.908 3.019 . 0 0 "[ . 1 . 2 .]" 1
1589 1 103 PRO QB 1 104 GLY H . . 4.130 2.000 1.897 2.461 . 0 0 "[ . 1 . 2 .]" 1
1590 1 104 GLY H 1 127 ASN QD . . 5.170 10.979 8.122 13.541 8.371 10 25 [***-*****+***************] 1
1591 1 104 GLY QA 1 105 PRO QG . . 4.810 3.769 3.725 4.470 . 0 0 "[ . 1 . 2 .]" 1
1592 1 104 GLY QA 1 105 PRO QD . . 2.540 1.983 1.903 2.814 0.274 21 0 "[ . 1 . 2 .]" 1
1593 1 104 GLY QA 1 127 ASN QD . . 5.960 9.417 7.183 11.839 5.879 19 25 [******************+*-****] 1
1594 1 105 PRO HA 1 105 PRO QG . . 3.440 3.541 3.509 3.569 0.129 15 0 "[ . 1 . 2 .]" 1
1595 1 105 PRO HA 1 106 ALA MB . . 6.670 4.934 4.425 5.008 . 0 0 "[ . 1 . 2 .]" 1
1596 1 105 PRO HA 1 122 ALA HA . . 5.390 4.615 4.032 5.278 . 0 0 "[ . 1 . 2 .]" 1
1597 1 105 PRO HA 1 122 ALA MB . . 5.840 3.989 3.400 4.849 . 0 0 "[ . 1 . 2 .]" 1
1598 1 105 PRO HA 1 123 HIS QB . . 5.420 6.041 4.532 7.367 1.947 19 12 "[* .* * * * ***- +* * .]" 1
1599 1 105 PRO HA 1 123 HIS HD2 . . 2.760 4.057 3.071 5.051 2.291 16 24 "[******-* ******+*********]" 1
1600 1 105 PRO HA 1 127 ASN HA . . 3.200 7.934 5.975 9.928 6.728 19 25 [******************+*-****] 1
1601 1 105 PRO QB 1 105 PRO QD . . 2.510 3.001 2.877 3.030 0.520 6 9 "[ * *.+ ** *. - 2 **.]" 1
1602 1 105 PRO QB 1 123 HIS HD2 . . 4.160 3.899 2.587 5.351 1.191 21 2 "[ -. 1 . 2+ .]" 1
1603 1 105 PRO QB 1 127 ASN HA . . 4.450 6.036 4.734 8.238 3.788 19 22 "[******-* ******** +*****.]" 1
1604 1 105 PRO QG 1 106 ALA H . . 4.520 2.432 2.161 3.589 . 0 0 "[ . 1 . 2 .]" 1
1605 1 105 PRO QG 1 123 HIS H . . 5.140 5.711 4.453 6.676 1.536 21 13 "[ *** *** *-* **+ * .]" 1
1606 1 105 PRO QG 1 123 HIS HD2 . . 6.000 5.799 4.290 6.628 0.628 4 2 "[ +. 1 . 2 - .]" 1
1607 1 105 PRO QD 1 127 ASN QB . . 4.850 8.775 7.029 11.407 6.557 19 25 [******************+*****-] 1
1608 1 106 ALA HA 1 107 ARG H . . 2.400 2.172 2.022 2.275 . 0 0 "[ . 1 . 2 .]" 1
1609 1 106 ALA HA 1 120 ILE MG . . 7.030 2.842 2.442 3.782 . 0 0 "[ . 1 . 2 .]" 1
1610 1 106 ALA HA 1 121 ILE H . . 5.030 4.017 3.727 4.814 . 0 0 "[ . 1 . 2 .]" 1
1611 1 106 ALA HA 1 122 ALA H . . 4.160 4.870 4.362 5.262 1.102 6 24 "[*****+-************* ****]" 1
1612 1 106 ALA HA 1 122 ALA MB . . 3.860 2.237 1.906 2.830 . 0 0 "[ . 1 . 2 .]" 1
1613 1 106 ALA HA 1 123 HIS HD2 . . 6.000 6.079 4.251 6.764 0.764 16 3 "[ . - 1 .+ *2 .]" 1
1614 1 106 ALA MB 1 107 ARG H . . 4.080 2.914 2.316 3.048 . 0 0 "[ . 1 . 2 .]" 1
1615 1 106 ALA MB 1 120 ILE MG . . 5.930 1.947 1.771 2.165 . 0 0 "[ . 1 . 2 .]" 1
1616 1 106 ALA MB 1 120 ILE QG . . 5.080 4.115 3.178 4.725 . 0 0 "[ . 1 . 2 .]" 1
1617 1 106 ALA MB 1 121 ILE H . . 7.030 4.319 3.918 4.668 . 0 0 "[ . 1 . 2 .]" 1
1618 1 106 ALA MB 1 122 ALA H . . 7.030 5.457 4.228 5.701 . 0 0 "[ . 1 . 2 .]" 1
1619 1 106 ALA MB 1 122 ALA HA . . 4.690 4.707 3.273 4.844 0.154 9 0 "[ . 1 . 2 .]" 1
1620 1 106 ALA MB 1 122 ALA MB . . 5.390 2.678 1.876 2.889 . 0 0 "[ . 1 . 2 .]" 1
1621 1 106 ALA MB 1 123 HIS HD2 . . 7.030 6.592 5.331 6.890 . 0 0 "[ . 1 . 2 .]" 1
1622 1 107 ARG H 1 107 ARG QB . . 3.520 2.767 2.717 2.846 . 0 0 "[ . 1 . 2 .]" 1
1623 1 107 ARG H 1 107 ARG QG . . 5.060 3.252 2.967 3.511 . 0 0 "[ . 1 . 2 .]" 1
1624 1 107 ARG H 1 107 ARG QD . . 6.000 4.969 4.772 5.134 . 0 0 "[ . 1 . 2 .]" 1
1625 1 107 ARG H 1 120 ILE HA . . 5.320 3.790 3.277 4.109 . 0 0 "[ . 1 . 2 .]" 1
1626 1 107 ARG H 1 120 ILE MG . . 5.590 2.218 1.927 2.660 . 0 0 "[ . 1 . 2 .]" 1
1627 1 107 ARG H 1 120 ILE QG . . 6.000 4.759 3.511 5.659 . 0 0 "[ . 1 . 2 .]" 1
1628 1 107 ARG H 1 121 ILE H . . 3.520 2.565 2.380 3.072 . 0 0 "[ . 1 . 2 .]" 1
1629 1 107 ARG H 1 121 ILE QG . . 6.000 3.305 2.773 3.498 . 0 0 "[ . 1 . 2 .]" 1
1630 1 107 ARG H 1 122 ALA HA . . 3.370 4.693 3.823 5.445 2.075 12 24 "[***-*******+******** ****]" 1
1631 1 107 ARG H 1 122 ALA MB . . 5.080 3.734 3.305 4.355 . 0 0 "[ . 1 . 2 .]" 1
1632 1 107 ARG HA 1 107 ARG QB . . 2.800 2.417 2.370 2.467 . 0 0 "[ . 1 . 2 .]" 1
1633 1 107 ARG HA 1 107 ARG QD . . 3.770 3.585 3.450 3.686 . 0 0 "[ . 1 . 2 .]" 1
1634 1 107 ARG HA 1 108 VAL H . . 2.400 2.237 2.110 2.316 . 0 0 "[ . 1 . 2 .]" 1
1635 1 107 ARG QB 1 121 ILE H . . 6.000 3.727 3.596 3.843 . 0 0 "[ . 1 . 2 .]" 1
1636 1 107 ARG QB 1 121 ILE QG . . 3.980 2.772 2.352 3.080 . 0 0 "[ . 1 . 2 .]" 1
1637 1 107 ARG QB 1 121 ILE MD . . 6.670 3.679 3.015 3.969 . 0 0 "[ . 1 . 2 .]" 1
1638 1 107 ARG QB 1 109 ILE MD . . 4.220 2.415 2.158 2.771 . 0 0 "[ . 1 . 2 .]" 1
1639 1 107 ARG QG 1 109 ILE MD . . 6.920 4.168 3.853 4.473 . 0 0 "[ . 1 . 2 .]" 1
1640 1 107 ARG QG 1 121 ILE H . . 6.000 5.065 4.655 5.435 . 0 0 "[ . 1 . 2 .]" 1
1641 1 107 ARG QG 1 121 ILE MD . . 5.620 4.786 4.247 5.130 . 0 0 "[ . 1 . 2 .]" 1
1642 1 107 ARG QG 1 123 HIS HD2 . . 6.000 6.243 4.774 7.787 1.787 19 12 "[* .* * * * -*** +* * .]" 1
1643 1 108 VAL H 1 108 VAL HB . . 3.260 2.816 2.636 2.981 . 0 0 "[ . 1 . 2 .]" 1
1644 1 108 VAL H 1 108 VAL MG1 . . 3.500 2.001 1.905 2.159 . 0 0 "[ . 1 . 2 .]" 1
1645 1 108 VAL H 1 120 ILE QG . . 6.000 5.003 3.528 6.196 0.196 18 0 "[ . 1 . 2 .]" 1
1646 1 108 VAL HA 1 108 VAL HB . . 2.720 2.392 2.343 2.462 . 0 0 "[ . 1 . 2 .]" 1
1647 1 108 VAL HA 1 109 ILE H . . 2.400 2.109 1.982 2.156 . 0 0 "[ . 1 . 2 .]" 1
1648 1 108 VAL HA 1 117 PHE QE . . 8.120 3.687 2.612 4.547 . 0 0 "[ . 1 . 2 .]" 1
1649 1 108 VAL HA 1 120 ILE MG . . 5.620 3.564 2.989 4.218 . 0 0 "[ . 1 . 2 .]" 1
1650 1 108 VAL HA 1 120 ILE MD . . 4.360 2.718 2.161 3.159 . 0 0 "[ . 1 . 2 .]" 1
1651 1 108 VAL HA 1 121 ILE H . . 3.800 4.217 3.611 4.709 0.909 12 8 "[- .* * 1 +* * * 2 * .]" 1
1652 1 108 VAL HB 1 109 ILE H . . 4.260 4.238 4.110 4.371 0.111 25 0 "[ . 1 . 2 .]" 1
1653 1 108 VAL HB 1 120 ILE MD . . 5.050 3.005 2.637 3.591 . 0 0 "[ . 1 . 2 .]" 1
1654 1 108 VAL MG1 1 109 ILE MD . . 7.340 3.945 3.677 4.144 . 0 0 "[ . 1 . 2 .]" 1
1655 1 108 VAL MG1 1 110 TYR HD2 . . 4.640 2.955 2.485 3.073 . 0 0 "[ . 1 . 2 .]" 1
1656 1 108 VAL MG1 1 110 TYR QE . . 4.560 3.074 2.570 3.360 . 0 0 "[ . 1 . 2 .]" 1
1657 1 108 VAL MG1 1 110 TYR HH . . 7.030 4.854 4.178 5.287 . 0 0 "[ . 1 . 2 .]" 1
1658 1 108 VAL MG1 1 117 PHE QD . . 9.150 4.466 3.993 4.753 . 0 0 "[ . 1 . 2 .]" 1
1659 1 108 VAL MG1 1 120 ILE MD . . 8.060 4.247 3.891 4.714 . 0 0 "[ . 1 . 2 .]" 1
1660 1 108 VAL MG2 1 109 ILE H . . 4.220 2.744 2.497 3.017 . 0 0 "[ . 1 . 2 .]" 1
1661 1 108 VAL MG2 1 110 TYR H . . 6.340 4.379 3.916 4.791 . 0 0 "[ . 1 . 2 .]" 1
1662 1 108 VAL MG2 1 110 TYR HB3 . . 5.980 3.056 2.815 3.323 . 0 0 "[ . 1 . 2 .]" 1
1663 1 108 VAL MG2 1 110 TYR QE . . 9.160 3.906 3.700 4.068 . 0 0 "[ . 1 . 2 .]" 1
1664 1 108 VAL MG2 1 110 TYR HD2 . . 4.530 2.312 2.089 2.566 . 0 0 "[ . 1 . 2 .]" 1
1665 1 108 VAL MG2 1 117 PHE HA . . 7.030 3.424 3.266 3.562 . 0 0 "[ . 1 . 2 .]" 1
1666 1 108 VAL MG2 1 117 PHE HZ . . 7.030 4.394 3.859 4.760 . 0 0 "[ . 1 . 2 .]" 1
1667 1 108 VAL MG2 1 118 CYS H . . 7.030 4.093 3.845 4.346 . 0 0 "[ . 1 . 2 .]" 1
1668 1 108 VAL MG2 1 119 GLY H . . 7.030 3.842 3.557 4.298 . 0 0 "[ . 1 . 2 .]" 1
1669 1 108 VAL MG2 1 120 ILE QG . . 5.950 3.892 3.154 4.510 . 0 0 "[ . 1 . 2 .]" 1
1670 1 108 VAL MG2 1 120 ILE MD . . 6.540 3.096 2.610 3.425 . 0 0 "[ . 1 . 2 .]" 1
1671 1 109 ILE H 1 109 ILE HB . . 3.190 2.404 2.252 2.516 . 0 0 "[ . 1 . 2 .]" 1
1672 1 109 ILE H 1 109 ILE QG . . 3.660 3.295 2.553 3.855 0.195 21 0 "[ . 1 . 2 .]" 1
1673 1 109 ILE H 1 119 GLY H . . 3.660 3.148 2.854 3.413 . 0 0 "[ . 1 . 2 .]" 1
1674 1 109 ILE H 1 120 ILE HA . . 3.550 3.119 2.877 3.369 . 0 0 "[ . 1 . 2 .]" 1
1675 1 109 ILE H 1 120 ILE MD . . 7.030 4.014 3.773 4.264 . 0 0 "[ . 1 . 2 .]" 1
1676 1 109 ILE HA 1 109 ILE MD . . 3.750 2.244 1.927 2.685 . 0 0 "[ . 1 . 2 .]" 1
1677 1 109 ILE HA 1 110 TYR H . . 2.400 2.114 2.015 2.205 . 0 0 "[ . 1 . 2 .]" 1
1678 1 109 ILE HA 1 110 TYR HA . . 6.000 4.398 4.362 4.441 . 0 0 "[ . 1 . 2 .]" 1
1679 1 109 ILE HA 1 110 TYR HB2 . . 5.500 5.518 5.417 5.612 0.112 17 0 "[ . 1 . 2 .]" 1
1680 1 109 ILE HA 1 110 TYR QD . . 7.130 3.929 3.715 4.183 . 0 0 "[ . 1 . 2 .]" 1
1681 1 109 ILE HB 1 110 TYR H . . 4.060 4.284 3.958 4.507 0.447 3 0 "[ . 1 . 2 .]" 1
1682 1 109 ILE HB 1 118 CYS H . . 6.000 4.214 3.639 4.759 . 0 0 "[ . 1 . 2 .]" 1
1683 1 109 ILE HB 1 119 GLY H . . 3.880 3.429 2.776 3.882 0.002 10 0 "[ . 1 . 2 .]" 1
1684 1 109 ILE HB 1 120 ILE HA . . 5.820 4.192 3.859 4.513 . 0 0 "[ . 1 . 2 .]" 1
1685 1 109 ILE HB 1 121 ILE MG . . 5.590 2.799 2.368 3.359 . 0 0 "[ . 1 . 2 .]" 1
1686 1 109 ILE HB 1 121 ILE MD . . 5.730 4.310 3.875 5.234 . 0 0 "[ . 1 . 2 .]" 1
1687 1 109 ILE MG 1 110 TYR H . . 4.580 2.630 1.993 3.127 . 0 0 "[ . 1 . 2 .]" 1
1688 1 109 ILE MG 1 110 TYR HA . . 7.030 3.442 3.283 3.612 . 0 0 "[ . 1 . 2 .]" 1
1689 1 109 ILE MG 1 110 TYR QD . . 9.170 4.885 4.666 5.115 . 0 0 "[ . 1 . 2 .]" 1
1690 1 109 ILE MG 1 111 THR HA . . 7.030 4.974 4.830 5.114 . 0 0 "[ . 1 . 2 .]" 1
1691 1 109 ILE MG 1 117 PHE HA . . 7.030 5.161 4.792 5.506 . 0 0 "[ . 1 . 2 .]" 1
1692 1 109 ILE MG 1 118 CYS H . . 5.840 3.758 3.427 4.046 . 0 0 "[ . 1 . 2 .]" 1
1693 1 109 ILE MG 1 118 CYS QB . . 4.400 2.566 2.148 2.936 . 0 0 "[ . 1 . 2 .]" 1
1694 1 109 ILE MG 1 119 GLY H . . 7.030 4.062 3.638 4.464 . 0 0 "[ . 1 . 2 .]" 1
1695 1 109 ILE MG 1 121 ILE MD . . 7.160 3.675 3.167 4.370 . 0 0 "[ . 1 . 2 .]" 1
1696 1 109 ILE QG 1 119 GLY H . . 5.320 5.137 4.233 5.775 0.455 19 0 "[ . 1 . 2 .]" 1
1697 1 109 ILE QG 1 120 ILE H . . 6.000 5.934 4.604 6.882 0.882 22 9 "[* . * - .** *2*+ *]" 1
1698 1 109 ILE QG 1 121 ILE H . . 5.890 3.747 2.876 4.447 . 0 0 "[ . 1 . 2 .]" 1
1699 1 109 ILE QG 1 121 ILE MG . . 5.050 2.028 1.749 2.476 . 0 0 "[ . 1 . 2 .]" 1
1700 1 109 ILE QG 1 121 ILE QG . . 2.580 2.789 2.127 3.376 0.796 10 6 "[ . + * . * -2** .]" 1
1701 1 109 ILE QG 1 121 ILE MD . . 4.400 2.182 1.905 2.989 . 0 0 "[ . 1 . 2 .]" 1
1702 1 109 ILE MD 1 110 TYR H . . 5.440 3.894 3.366 4.494 . 0 0 "[ . 1 . 2 .]" 1
1703 1 109 ILE MD 1 120 ILE HA . . 7.030 3.614 2.732 4.617 . 0 0 "[ . 1 . 2 .]" 1
1704 1 109 ILE MD 1 120 ILE QG . . 6.380 5.165 3.970 6.436 0.056 18 0 "[ . 1 . 2 .]" 1
1705 1 109 ILE MD 1 121 ILE H . . 7.030 3.185 2.387 4.140 . 0 0 "[ . 1 . 2 .]" 1
1706 1 109 ILE MD 1 121 ILE HB . . 6.450 4.459 4.024 5.427 . 0 0 "[ . 1 . 2 .]" 1
1707 1 109 ILE MD 1 121 ILE MG . . 7.440 2.695 2.040 3.347 . 0 0 "[ . 1 . 2 .]" 1
1708 1 109 ILE MD 1 121 ILE MD . . 5.820 2.298 1.901 2.922 . 0 0 "[ . 1 . 2 .]" 1
1709 1 110 TYR H 1 110 TYR HB3 . . 3.480 3.268 3.098 3.489 0.009 24 0 "[ . 1 . 2 .]" 1
1710 1 110 TYR H 1 110 TYR QE . . 7.020 4.481 4.272 4.733 . 0 0 "[ . 1 . 2 .]" 1
1711 1 110 TYR H 1 118 CYS QB . . 5.060 4.885 4.306 5.370 0.310 7 0 "[ . 1 . 2 .]" 1
1712 1 110 TYR HA 1 110 TYR HB3 . . 2.830 2.495 2.411 2.550 . 0 0 "[ . 1 . 2 .]" 1
1713 1 110 TYR HA 1 110 TYR HB2 . . 2.690 2.435 2.373 2.491 . 0 0 "[ . 1 . 2 .]" 1
1714 1 110 TYR HA 1 111 THR H . . 2.650 2.255 2.143 2.388 . 0 0 "[ . 1 . 2 .]" 1
1715 1 110 TYR HA 1 111 THR MG . . 6.200 3.205 3.104 3.323 . 0 0 "[ . 1 . 2 .]" 1
1716 1 110 TYR HA 1 115 LYS HA . . 4.500 4.556 4.275 4.911 0.411 10 0 "[ . 1 . 2 .]" 1
1717 1 110 TYR HA 1 117 PHE HA . . 3.230 3.056 2.776 3.390 0.160 25 0 "[ . 1 . 2 .]" 1
1718 1 110 TYR HA 1 117 PHE QD . . 8.120 5.283 4.542 5.668 . 0 0 "[ . 1 . 2 .]" 1
1719 1 110 TYR HA 1 118 CYS H . . 2.870 2.702 2.502 2.841 . 0 0 "[ . 1 . 2 .]" 1
1720 1 110 TYR HA 1 118 CYS QB . . 5.280 3.522 2.961 4.166 . 0 0 "[ . 1 . 2 .]" 1
1721 1 110 TYR HA 1 119 GLY H . . 5.500 4.702 4.537 4.946 . 0 0 "[ . 1 . 2 .]" 1
1722 1 110 TYR HB3 1 111 THR H . . 4.420 4.004 3.838 4.128 . 0 0 "[ . 1 . 2 .]" 1
1723 1 110 TYR HB3 1 117 PHE HA . . 4.200 2.317 2.048 2.612 . 0 0 "[ . 1 . 2 .]" 1
1724 1 110 TYR HB3 1 117 PHE QD . . 8.120 3.907 3.312 4.435 . 0 0 "[ . 1 . 2 .]" 1
1725 1 110 TYR HB3 1 118 CYS H . . 6.000 3.463 3.220 3.710 . 0 0 "[ . 1 . 2 .]" 1
1726 1 110 TYR HB2 1 111 THR H . . 3.080 2.810 2.548 3.040 . 0 0 "[ . 1 . 2 .]" 1
1727 1 110 TYR HB2 1 115 LYS HA . . 5.140 2.411 2.230 2.608 . 0 0 "[ . 1 . 2 .]" 1
1728 1 110 TYR HB2 1 115 LYS QB . . 3.370 3.207 2.661 3.841 0.471 19 0 "[ . 1 . 2 .]" 1
1729 1 110 TYR HB2 1 117 PHE HA . . 5.600 3.121 2.835 3.423 . 0 0 "[ . 1 . 2 .]" 1
1730 1 110 TYR HB2 1 117 PHE QD . . 8.120 5.171 4.678 5.450 . 0 0 "[ . 1 . 2 .]" 1
1731 1 110 TYR HB2 1 118 CYS H . . 6.000 4.252 4.019 4.468 . 0 0 "[ . 1 . 2 .]" 1
1732 1 110 TYR QD 1 111 THR H . . 7.920 3.436 3.259 3.636 . 0 0 "[ . 1 . 2 .]" 1
1733 1 110 TYR QD 1 115 LYS QB . . 6.880 3.759 3.323 4.128 . 0 0 "[ . 1 . 2 .]" 1
1734 1 110 TYR QD 1 115 LYS QG . . 6.590 2.430 2.345 2.546 . 0 0 "[ . 1 . 2 .]" 1
1735 1 110 TYR QD 1 115 LYS QD . . 8.140 3.913 3.656 4.044 . 0 0 "[ . 1 . 2 .]" 1
1736 1 110 TYR QD 1 116 VAL H . . 8.140 3.898 3.421 4.150 . 0 0 "[ . 1 . 2 .]" 1
1737 1 110 TYR QE 1 115 LYS HA . . 7.990 4.063 3.844 4.227 . 0 0 "[ . 1 . 2 .]" 1
1738 1 110 TYR QE 1 115 LYS QB . . 8.130 4.505 4.196 4.675 . 0 0 "[ . 1 . 2 .]" 1
1739 1 110 TYR QE 1 115 LYS QG . . 6.910 2.668 2.527 2.795 . 0 0 "[ . 1 . 2 .]" 1
1740 1 110 TYR QE 1 115 LYS QD . . 8.130 3.257 3.014 3.433 . 0 0 "[ . 1 . 2 .]" 1
1741 1 110 TYR QE 1 115 LYS QE . . 5.040 3.795 2.595 4.270 . 0 0 "[ . 1 . 2 .]" 1
1742 1 110 TYR HD1 1 115 LYS H . . 5.510 5.025 4.734 5.195 . 0 0 "[ . 1 . 2 .]" 1
1743 1 110 TYR HD1 1 115 LYS HA . . 2.830 2.457 2.226 2.616 . 0 0 "[ . 1 . 2 .]" 1
1744 1 111 THR H 1 111 THR HB . . 4.240 3.609 3.531 3.735 . 0 0 "[ . 1 . 2 .]" 1
1745 1 111 THR H 1 111 THR MG . . 3.820 1.997 1.893 2.139 . 0 0 "[ . 1 . 2 .]" 1
1746 1 111 THR H 1 115 LYS HA . . 3.660 3.717 3.482 3.817 0.157 24 0 "[ . 1 . 2 .]" 1
1747 1 111 THR H 1 116 VAL H . . 3.260 2.795 2.431 3.102 . 0 0 "[ . 1 . 2 .]" 1
1748 1 111 THR H 1 116 VAL HA . . 5.200 4.612 4.332 4.930 . 0 0 "[ . 1 . 2 .]" 1
1749 1 111 THR H 1 116 VAL HB . . 4.450 2.678 2.251 3.161 . 0 0 "[ . 1 . 2 .]" 1
1750 1 111 THR H 1 116 VAL QG . . 7.870 3.442 3.177 3.732 . 0 0 "[ . 1 . 2 .]" 1
1751 1 111 THR HA 1 111 THR HB . . 2.760 2.325 2.244 2.386 . 0 0 "[ . 1 . 2 .]" 1
1752 1 111 THR HA 1 112 TYR H . . 2.990 2.362 2.292 2.412 . 0 0 "[ . 1 . 2 .]" 1
1753 1 111 THR HB 1 112 TYR H . . 4.000 2.710 2.534 2.834 . 0 0 "[ . 1 . 2 .]" 1
1754 1 111 THR HB 1 112 TYR HB3 . . 5.350 4.995 4.829 5.104 . 0 0 "[ . 1 . 2 .]" 1
1755 1 111 THR HB 1 116 VAL H . . 5.570 5.008 4.841 5.236 . 0 0 "[ . 1 . 2 .]" 1
1756 1 111 THR HB 1 116 VAL HB . . 5.100 4.235 4.042 4.534 . 0 0 "[ . 1 . 2 .]" 1
1757 1 111 THR MG 1 116 VAL H . . 5.410 3.666 3.514 3.851 . 0 0 "[ . 1 . 2 .]" 1
1758 1 111 THR MG 1 116 VAL HB . . 3.610 2.164 2.017 2.433 . 0 0 "[ . 1 . 2 .]" 1
1759 1 111 THR MG 1 116 VAL QG . . 7.350 2.486 2.210 2.816 . 0 0 "[ . 1 . 2 .]" 1
1760 1 111 THR MG 1 118 CYS H . . 7.030 4.677 4.374 4.744 . 0 0 "[ . 1 . 2 .]" 1
1761 1 111 THR HG1 1 112 TYR H . . 6.000 3.531 3.011 4.267 . 0 0 "[ . 1 . 2 .]" 1
1762 1 111 THR HG1 1 114 ASN H . . 6.000 5.108 4.544 5.979 . 0 0 "[ . 1 . 2 .]" 1
1763 1 111 THR HG1 1 114 ASN QB . . 4.740 3.978 3.593 4.504 . 0 0 "[ . 1 . 2 .]" 1
1764 1 111 THR HG1 1 115 LYS H . . 6.000 5.919 5.330 6.922 0.922 22 1 "[ . 1 . 2 + .]" 1
1765 1 111 THR HG1 1 116 VAL H . . 3.660 3.013 2.221 3.673 0.013 13 0 "[ . 1 . 2 .]" 1
1766 1 111 THR HG1 1 116 VAL HB . . 3.840 2.675 2.050 3.372 . 0 0 "[ . 1 . 2 .]" 1
1767 1 111 THR HG1 1 116 VAL QG . . 6.930 2.752 2.025 3.356 . 0 0 "[ . 1 . 2 .]" 1
1768 1 112 TYR H 1 112 TYR HB2 . . 3.730 3.131 2.952 3.255 . 0 0 "[ . 1 . 2 .]" 1
1769 1 112 TYR H 1 112 TYR HB3 . . 3.700 2.309 2.209 2.529 . 0 0 "[ . 1 . 2 .]" 1
1770 1 112 TYR HA 1 113 PRO HA . . 2.400 2.218 2.147 2.353 . 0 0 "[ . 1 . 2 .]" 1
1771 1 112 TYR HA 1 115 LYS HA . . 3.950 4.021 3.901 4.235 0.285 13 0 "[ . 1 . 2 .]" 1
1772 1 112 TYR QD 1 113 PRO HA . . 5.800 2.752 2.623 2.960 . 0 0 "[ . 1 . 2 .]" 1
1773 1 112 TYR QD 1 113 PRO QB . . 8.140 3.495 3.306 3.617 . 0 0 "[ . 1 . 2 .]" 1
1774 1 112 TYR QD 1 113 PRO HD3 . . 7.350 2.682 2.438 2.836 . 0 0 "[ . 1 . 2 .]" 1
1775 1 112 TYR QD 1 113 PRO HD2 . . 8.140 3.983 3.826 4.101 . 0 0 "[ . 1 . 2 .]" 1
1776 1 112 TYR QE 1 113 PRO HA . . 8.130 3.663 3.493 3.795 . 0 0 "[ . 1 . 2 .]" 1
1777 1 112 TYR QE 1 113 PRO QB . . 6.580 3.150 2.842 3.372 . 0 0 "[ . 1 . 2 .]" 1
1778 1 112 TYR QE 1 113 PRO HD3 . . 8.130 3.054 2.813 3.772 . 0 0 "[ . 1 . 2 .]" 1
1779 1 113 PRO HA 1 115 LYS H . . 4.560 5.305 5.164 5.452 0.892 11 25 [**********+********-*****] 1
1780 1 113 PRO QB 1 114 ASN QD . . 6.000 6.145 5.581 6.577 0.577 7 6 "[ * . + * . - 2* * .]" 1
1781 1 113 PRO HD3 1 113 PRO HG2 . . 2.900 2.934 2.919 2.957 0.057 21 0 "[ . 1 . 2 .]" 1
1782 1 113 PRO HD2 1 113 PRO HG2 . . 2.510 2.308 2.265 2.321 . 0 0 "[ . 1 . 2 .]" 1
1783 1 113 PRO HG3 1 114 ASN H . . 5.420 3.816 3.772 3.880 . 0 0 "[ . 1 . 2 .]" 1
1784 1 113 PRO HD3 1 114 ASN QB . . 6.000 5.118 5.038 5.459 . 0 0 "[ . 1 . 2 .]" 1
1785 1 113 PRO HD2 1 114 ASN H . . 3.840 2.391 2.329 2.449 . 0 0 "[ . 1 . 2 .]" 1
1786 1 113 PRO HD2 1 114 ASN QD . . 6.000 5.603 4.574 6.292 0.292 1 0 "[ . 1 . 2 .]" 1
1787 1 114 ASN H 1 114 ASN QB . . 3.010 2.174 2.073 2.580 . 0 0 "[ . 1 . 2 .]" 1
1788 1 114 ASN H 1 115 LYS H . . 3.260 4.401 4.342 4.482 1.222 11 25 [**********+************-*] 1
1789 1 114 ASN H 1 116 VAL QG . . 8.120 4.554 4.342 4.763 . 0 0 "[ . 1 . 2 .]" 1
1790 1 114 ASN QB 1 116 VAL H . . 4.600 3.611 3.267 4.032 . 0 0 "[ . 1 . 2 .]" 1
1791 1 114 ASN QB 1 116 VAL QG . . 6.390 2.235 1.988 2.516 . 0 0 "[ . 1 . 2 .]" 1
1792 1 114 ASN QB 1 116 VAL HA . . 4.810 4.527 4.035 4.989 0.179 7 0 "[ . 1 . 2 .]" 1
1793 1 114 ASN QD 1 116 VAL QG . . 8.120 2.922 2.036 3.857 . 0 0 "[ . 1 . 2 .]" 1
1794 1 115 LYS H 1 115 LYS HA . . 2.720 2.841 2.813 2.879 0.159 15 0 "[ . 1 . 2 .]" 1
1795 1 115 LYS H 1 116 VAL H . . 3.820 3.796 3.627 3.994 0.174 20 0 "[ . 1 . 2 .]" 1
1796 1 115 LYS H 1 116 VAL QG . . 8.120 4.406 4.177 4.582 . 0 0 "[ . 1 . 2 .]" 1
1797 1 115 LYS HA 1 115 LYS QG . . 3.700 2.098 2.038 2.196 . 0 0 "[ . 1 . 2 .]" 1
1798 1 115 LYS HA 1 115 LYS QD . . 4.600 4.035 3.986 4.108 . 0 0 "[ . 1 . 2 .]" 1
1799 1 115 LYS HA 1 116 VAL H . . 3.010 2.324 2.176 2.448 . 0 0 "[ . 1 . 2 .]" 1
1800 1 115 LYS QB 1 115 LYS QE . . 3.050 2.532 2.169 3.418 0.368 16 0 "[ . 1 . 2 .]" 1
1801 1 116 VAL H 1 116 VAL HB . . 2.510 2.362 2.228 2.587 0.077 21 0 "[ . 1 . 2 .]" 1
1802 1 116 VAL HA 1 117 PHE H . . 2.440 2.384 2.155 2.495 0.055 10 0 "[ . 1 . 2 .]" 1
1803 1 116 VAL HA 1 117 PHE QB . . 6.000 3.976 3.864 4.032 . 0 0 "[ . 1 . 2 .]" 1
1804 1 116 VAL QG 1 117 PHE H . . 5.890 3.536 3.396 3.616 . 0 0 "[ . 1 . 2 .]" 1
1805 1 117 PHE H 1 117 PHE QB . . 2.620 2.191 2.136 2.254 . 0 0 "[ . 1 . 2 .]" 1
1806 1 117 PHE HA 1 118 CYS H . . 2.470 2.172 2.128 2.228 . 0 0 "[ . 1 . 2 .]" 1
1807 1 117 PHE HA 1 118 CYS HA . . 5.240 4.417 4.374 4.443 . 0 0 "[ . 1 . 2 .]" 1
1808 1 117 PHE HA 1 119 GLY H . . 4.340 3.718 3.319 4.051 . 0 0 "[ . 1 . 2 .]" 1
1809 1 117 PHE QB 1 118 CYS H . . 5.860 3.955 3.848 4.036 . 0 0 "[ . 1 . 2 .]" 1
1810 1 117 PHE QB 1 118 CYS HA . . 5.890 4.848 4.717 4.972 . 0 0 "[ . 1 . 2 .]" 1
1811 1 117 PHE QD 1 118 CYS H . . 7.620 3.722 3.013 3.985 . 0 0 "[ . 1 . 2 .]" 1
1812 1 117 PHE QD 1 118 CYS HA . . 7.470 4.390 3.442 4.923 . 0 0 "[ . 1 . 2 .]" 1
1813 1 117 PHE QE 1 118 CYS H . . 8.120 4.907 4.354 5.193 . 0 0 "[ . 1 . 2 .]" 1
1814 1 117 PHE QE 1 119 GLY QA . . 6.680 2.695 2.082 3.211 . 0 0 "[ . 1 . 2 .]" 1
1815 1 117 PHE QE 1 120 ILE QG . . 6.430 3.107 2.548 4.001 . 0 0 "[ . 1 . 2 .]" 1
1816 1 117 PHE QE 1 120 ILE MD . . 6.990 2.404 1.964 2.731 . 0 0 "[ . 1 . 2 .]" 1
1817 1 117 PHE HZ 1 119 GLY QA . . 4.060 2.536 2.253 2.960 . 0 0 "[ . 1 . 2 .]" 1
1818 1 117 PHE HZ 1 120 ILE H . . 6.000 4.364 3.428 5.101 . 0 0 "[ . 1 . 2 .]" 1
1819 1 117 PHE HZ 1 120 ILE QG . . 3.620 3.405 2.491 4.118 0.498 22 0 "[ . 1 . 2 .]" 1
1820 1 117 PHE HZ 1 120 ILE MD . . 4.360 2.799 1.962 3.593 . 0 0 "[ . 1 . 2 .]" 1
1821 1 118 CYS H 1 118 CYS QB . . 3.160 2.394 2.115 2.660 . 0 0 "[ . 1 . 2 .]" 1
1822 1 118 CYS H 1 119 GLY H . . 2.800 2.270 2.041 2.471 . 0 0 "[ . 1 . 2 .]" 1
1823 1 118 CYS HA 1 118 CYS QB . . 2.590 2.402 2.196 2.575 . 0 0 "[ . 1 . 2 .]" 1
1824 1 118 CYS HA 1 119 GLY H . . 4.120 3.550 3.453 3.618 . 0 0 "[ . 1 . 2 .]" 1
1825 1 118 CYS QB 1 119 GLY H . . 3.160 2.653 2.361 3.042 . 0 0 "[ . 1 . 2 .]" 1
1826 1 119 GLY QA 1 120 ILE H . . 2.900 2.211 2.165 2.278 . 0 0 "[ . 1 . 2 .]" 1
1827 1 119 GLY QA 1 120 ILE MD . . 4.990 3.394 2.352 4.083 . 0 0 "[ . 1 . 2 .]" 1
1828 1 119 GLY QA 1 133 LEU MD1 . . 5.520 2.516 2.013 2.974 . 0 0 "[ . 1 . 2 .]" 1
1829 1 119 GLY QA 1 120 ILE QG . . 6.000 3.464 2.843 4.453 . 0 0 "[ . 1 . 2 .]" 1
1830 1 120 ILE H 1 120 ILE HB . . 2.800 2.659 2.401 2.829 0.029 24 0 "[ . 1 . 2 .]" 1
1831 1 120 ILE H 1 120 ILE QG . . 4.740 3.136 2.627 3.929 . 0 0 "[ . 1 . 2 .]" 1
1832 1 120 ILE H 1 121 ILE MG . . 7.030 4.014 3.593 4.469 . 0 0 "[ . 1 . 2 .]" 1
1833 1 120 ILE H 1 133 LEU HG . . 5.390 3.247 2.583 3.735 . 0 0 "[ . 1 . 2 .]" 1
1834 1 120 ILE H 1 133 LEU MD1 . . 5.120 2.841 1.962 3.444 . 0 0 "[ . 1 . 2 .]" 1
1835 1 120 ILE HA 1 120 ILE MD . . 4.130 2.896 2.673 3.162 . 0 0 "[ . 1 . 2 .]" 1
1836 1 120 ILE HA 1 121 ILE H . . 2.400 2.191 2.050 2.264 . 0 0 "[ . 1 . 2 .]" 1
1837 1 120 ILE HA 1 121 ILE HA . . 5.100 4.402 4.336 4.501 . 0 0 "[ . 1 . 2 .]" 1
1838 1 120 ILE HA 1 121 ILE MG . . 6.810 3.210 3.101 3.473 . 0 0 "[ . 1 . 2 .]" 1
1839 1 120 ILE HA 1 134 CYS HB2 . . 4.960 4.849 4.592 5.190 0.230 19 0 "[ . 1 . 2 .]" 1
1840 1 120 ILE HB 1 120 ILE MD . . 3.680 2.714 2.133 3.200 . 0 0 "[ . 1 . 2 .]" 1
1841 1 120 ILE HB 1 134 CYS H . . 6.000 3.681 3.208 4.306 . 0 0 "[ . 1 . 2 .]" 1
1842 1 120 ILE HB 1 134 CYS HA . . 6.000 5.000 4.639 5.885 . 0 0 "[ . 1 . 2 .]" 1
1843 1 120 ILE HB 1 134 CYS HB2 . . 4.240 2.368 2.006 2.929 . 0 0 "[ . 1 . 2 .]" 1
1844 1 120 ILE HB 1 134 CYS HB3 . . 4.990 3.489 3.111 4.105 . 0 0 "[ . 1 . 2 .]" 1
1845 1 120 ILE MG 1 121 ILE H . . 4.290 2.443 2.105 3.129 . 0 0 "[ . 1 . 2 .]" 1
1846 1 120 ILE MG 1 121 ILE HA . . 6.020 3.780 3.533 4.070 . 0 0 "[ . 1 . 2 .]" 1
1847 1 120 ILE MG 1 121 ILE MG . . 8.060 4.147 3.988 4.566 . 0 0 "[ . 1 . 2 .]" 1
1848 1 120 ILE MG 1 121 ILE MD . . 8.060 5.318 5.041 5.524 . 0 0 "[ . 1 . 2 .]" 1
1849 1 120 ILE MG 1 122 ALA MB . . 8.060 3.257 3.008 3.505 . 0 0 "[ . 1 . 2 .]" 1
1850 1 120 ILE MG 1 134 CYS HB2 . . 6.520 3.582 3.127 3.905 . 0 0 "[ . 1 . 2 .]" 1
1851 1 120 ILE MG 1 134 CYS HB3 . . 7.030 3.984 3.835 4.272 . 0 0 "[ . 1 . 2 .]" 1
1852 1 120 ILE MD 1 121 ILE H . . 6.200 4.461 4.119 4.861 . 0 0 "[ . 1 . 2 .]" 1
1853 1 120 ILE MD 1 134 CYS HB2 . . 7.030 4.308 3.557 4.902 . 0 0 "[ . 1 . 2 .]" 1
1854 1 121 ILE H 1 121 ILE QG . . 3.370 2.403 2.266 2.527 . 0 0 "[ . 1 . 2 .]" 1
1855 1 121 ILE H 1 122 ALA H . . 6.000 4.488 4.414 4.632 . 0 0 "[ . 1 . 2 .]" 1
1856 1 121 ILE H 1 122 ALA MB . . 7.030 4.336 4.063 4.914 . 0 0 "[ . 1 . 2 .]" 1
1857 1 121 ILE HA 1 121 ILE HB . . 2.710 2.324 2.279 2.419 . 0 0 "[ . 1 . 2 .]" 1
1858 1 121 ILE HA 1 122 ALA H . . 2.440 2.302 2.253 2.363 . 0 0 "[ . 1 . 2 .]" 1
1859 1 121 ILE HA 1 132 LYS H . . 6.000 4.167 3.841 4.480 . 0 0 "[ . 1 . 2 .]" 1
1860 1 121 ILE HA 1 133 LEU HA . . 2.720 2.335 1.905 2.632 . 0 0 "[ . 1 . 2 .]" 1
1861 1 121 ILE HA 1 133 LEU HG . . 6.000 4.561 4.013 5.140 . 0 0 "[ . 1 . 2 .]" 1
1862 1 121 ILE HA 1 133 LEU MD1 . . 5.370 3.323 2.845 4.126 . 0 0 "[ . 1 . 2 .]" 1
1863 1 121 ILE HA 1 134 CYS H . . 2.400 2.822 2.542 2.933 0.533 22 5 "[* -. 1 * .* 2 + .]" 1
1864 1 121 ILE HA 1 134 CYS HB2 . . 6.000 4.758 4.375 5.063 . 0 0 "[ . 1 . 2 .]" 1
1865 1 121 ILE HB 1 122 ALA H . . 3.010 2.711 2.677 2.785 . 0 0 "[ . 1 . 2 .]" 1
1866 1 121 ILE HB 1 131 LEU QD . . 4.510 2.607 1.918 4.014 . 0 0 "[ . 1 . 2 .]" 1
1867 1 121 ILE HB 1 132 LYS H . . 4.920 3.580 3.240 3.681 . 0 0 "[ . 1 . 2 .]" 1
1868 1 121 ILE HB 1 133 LEU HA . . 4.310 3.519 3.377 3.705 . 0 0 "[ . 1 . 2 .]" 1
1869 1 121 ILE MG 1 122 ALA H . . 6.060 4.014 3.949 4.067 . 0 0 "[ . 1 . 2 .]" 1
1870 1 121 ILE MG 1 131 LEU QB . . 6.920 4.743 3.644 5.410 . 0 0 "[ . 1 . 2 .]" 1
1871 1 121 ILE MG 1 131 LEU QD . . 8.060 3.549 3.087 4.389 . 0 0 "[ . 1 . 2 .]" 1
1872 1 121 ILE MG 1 133 LEU HA . . 3.570 2.590 2.209 2.825 . 0 0 "[ . 1 . 2 .]" 1
1873 1 121 ILE MG 1 133 LEU QB . . 4.830 3.556 3.197 3.964 . 0 0 "[ . 1 . 2 .]" 1
1874 1 121 ILE MG 1 133 LEU HG . . 7.030 3.998 3.470 4.353 . 0 0 "[ . 1 . 2 .]" 1
1875 1 121 ILE MG 1 133 LEU MD1 . . 5.460 1.973 1.776 2.520 . 0 0 "[ . 1 . 2 .]" 1
1876 1 121 ILE MG 1 133 LEU MD2 . . 6.290 4.223 3.982 4.707 . 0 0 "[ . 1 . 2 .]" 1
1877 1 121 ILE MG 1 134 CYS H . . 5.260 3.829 3.457 4.133 . 0 0 "[ . 1 . 2 .]" 1
1878 1 121 ILE QG 1 122 ALA H . . 5.600 3.325 3.138 3.400 . 0 0 "[ . 1 . 2 .]" 1
1879 1 121 ILE QG 1 131 LEU QD . . 4.940 2.132 1.895 3.242 . 0 0 "[ . 1 . 2 .]" 1
1880 1 121 ILE MD 1 122 ALA H . . 7.030 4.220 4.070 4.374 . 0 0 "[ . 1 . 2 .]" 1
1881 1 121 ILE MD 1 123 HIS HE1 . . 7.030 5.463 4.664 7.243 0.213 14 0 "[ . 1 . 2 .]" 1
1882 1 121 ILE MD 1 131 LEU HA . . 7.030 4.879 4.423 5.155 . 0 0 "[ . 1 . 2 .]" 1
1883 1 121 ILE MD 1 131 LEU QB . . 4.330 3.234 1.952 3.712 . 0 0 "[ . 1 . 2 .]" 1
1884 1 121 ILE MD 1 131 LEU HG . . 7.030 3.270 2.010 4.659 . 0 0 "[ . 1 . 2 .]" 1
1885 1 121 ILE MD 1 131 LEU QD . . 5.210 1.838 1.706 2.262 . 0 0 "[ . 1 . 2 .]" 1
1886 1 121 ILE MD 1 133 LEU QB . . 7.030 5.818 5.651 5.989 . 0 0 "[ . 1 . 2 .]" 1
1887 1 122 ALA H 1 122 ALA MB . . 3.540 2.935 2.893 2.970 . 0 0 "[ . 1 . 2 .]" 1
1888 1 122 ALA H 1 131 LEU HA . . 4.060 3.943 3.542 4.160 0.100 13 0 "[ . 1 . 2 .]" 1
1889 1 122 ALA H 1 131 LEU QB . . 6.000 4.443 2.370 5.279 . 0 0 "[ . 1 . 2 .]" 1
1890 1 122 ALA H 1 131 LEU QD . . 6.560 2.514 1.959 4.333 . 0 0 "[ . 1 . 2 .]" 1
1891 1 122 ALA H 1 132 LYS H . . 3.160 2.518 2.067 2.849 . 0 0 "[ . 1 . 2 .]" 1
1892 1 122 ALA H 1 133 LEU HA . . 4.240 3.983 3.677 4.316 0.076 14 0 "[ . 1 . 2 .]" 1
1893 1 122 ALA HA 1 123 HIS HD2 . . 6.000 3.293 2.780 3.955 . 0 0 "[ . 1 . 2 .]" 1
1894 1 122 ALA HA 1 131 LEU QD . . 4.510 2.458 2.008 3.946 . 0 0 "[ . 1 . 2 .]" 1
1895 1 122 ALA MB 1 123 HIS HA . . 6.630 4.221 4.004 4.317 . 0 0 "[ . 1 . 2 .]" 1
1896 1 122 ALA MB 1 123 HIS QB . . 5.770 4.611 4.226 4.922 . 0 0 "[ . 1 . 2 .]" 1
1897 1 122 ALA MB 1 123 HIS HD2 . . 7.030 3.907 3.729 4.075 . 0 0 "[ . 1 . 2 .]" 1
1898 1 122 ALA MB 1 131 LEU QD . . 6.900 3.564 3.242 4.918 . 0 0 "[ . 1 . 2 .]" 1
1899 1 122 ALA MB 1 134 CYS H . . 7.030 4.955 4.515 5.193 . 0 0 "[ . 1 . 2 .]" 1
1900 1 123 HIS H 1 123 HIS QB . . 3.160 2.737 2.622 2.831 . 0 0 "[ . 1 . 2 .]" 1
1901 1 123 HIS H 1 123 HIS HD2 . . 3.120 2.053 1.962 2.278 . 0 0 "[ . 1 . 2 .]" 1
1902 1 123 HIS H 1 131 LEU QD . . 5.440 3.136 2.065 4.643 . 0 0 "[ . 1 . 2 .]" 1
1903 1 123 HIS HA 1 123 HIS HD2 . . 4.780 4.160 3.948 4.398 . 0 0 "[ . 1 . 2 .]" 1
1904 1 123 HIS HA 1 124 THR H . . 2.650 2.176 2.085 2.246 . 0 0 "[ . 1 . 2 .]" 1
1905 1 123 HIS HA 1 124 THR MG . . 6.140 4.269 4.109 4.340 . 0 0 "[ . 1 . 2 .]" 1
1906 1 123 HIS HA 1 131 LEU HA . . 2.620 2.628 2.026 2.847 0.227 9 0 "[ . 1 . 2 .]" 1
1907 1 123 HIS HA 1 131 LEU HG . . 5.420 4.676 3.350 5.986 0.566 20 1 "[ . 1 . + .]" 1
1908 1 123 HIS HA 1 131 LEU QD . . 4.720 3.426 2.758 4.602 . 0 0 "[ . 1 . 2 .]" 1
1909 1 123 HIS HA 1 132 LYS H . . 4.270 3.516 3.163 3.782 . 0 0 "[ . 1 . 2 .]" 1
1910 1 123 HIS QB 1 123 HIS HD2 . . 3.480 2.912 2.697 3.280 . 0 0 "[ . 1 . 2 .]" 1
1911 1 123 HIS QB 1 124 THR H . . 3.620 3.704 3.639 3.759 0.139 8 0 "[ . 1 . 2 .]" 1
1912 1 123 HIS QB 1 125 LYS H . . 4.670 3.284 3.048 3.424 . 0 0 "[ . 1 . 2 .]" 1
1913 1 123 HIS QB 1 127 ASN HA . . 3.590 4.725 4.214 5.399 1.809 14 25 [*************+******-****] 1
1914 1 123 HIS QB 1 128 GLN H . . 6.000 4.145 3.889 4.489 . 0 0 "[ . 1 . 2 .]" 1
1915 1 123 HIS QB 1 131 LEU HA . . 4.960 3.453 2.000 4.142 . 0 0 "[ . 1 . 2 .]" 1
1916 1 123 HIS QB 1 131 LEU QD . . 6.990 3.671 2.166 4.523 . 0 0 "[ . 1 . 2 .]" 1
1917 1 123 HIS QB 1 131 LEU QB . . 5.500 4.569 3.455 5.354 . 0 0 "[ . 1 . 2 .]" 1
1918 1 123 HIS HD2 1 127 ASN HA . . 3.550 6.509 5.895 7.122 3.572 13 25 [************+**-*********] 1
1919 1 123 HIS HD2 1 127 ASN QB . . 4.810 7.359 6.870 7.834 3.024 3 25 [**+******-***************] 1
1920 1 123 HIS HD2 1 128 GLN HA . . 6.000 4.662 3.445 8.035 2.035 14 4 "[ . 1 +.- ** .]" 1
1921 1 123 HIS HD2 1 131 LEU QB . . 6.000 5.292 4.077 6.295 0.295 10 0 "[ . 1 . 2 .]" 1
1922 1 123 HIS HD2 1 131 LEU HG . . 6.000 4.728 3.233 6.007 0.007 24 0 "[ . 1 . 2 .]" 1
1923 1 123 HIS HD2 1 131 LEU QD . . 5.450 3.358 2.621 4.619 . 0 0 "[ . 1 . 2 .]" 1
1924 1 123 HIS HE1 1 127 ASN HA . . 6.000 8.923 5.414 9.911 3.911 10 21 "[*********+*** * ** 2-****]" 1
1925 1 123 HIS HE1 1 128 GLN HA . . 3.980 5.399 4.879 6.022 2.042 16 25 [***************+****-****] 1
1926 1 123 HIS HE1 1 130 GLU HA . . 6.000 5.106 4.642 5.246 . 0 0 "[ . 1 . 2 .]" 1
1927 1 123 HIS HE1 1 131 LEU HG . . 4.020 3.745 2.101 5.289 1.269 20 10 "[ ** 1* **. +* -**]" 1
1928 1 123 HIS HE1 1 131 LEU QD . . 4.150 2.434 1.994 3.497 . 0 0 "[ . 1 . 2 .]" 1
1929 1 124 THR H 1 124 THR HA . . 3.120 2.987 2.955 3.050 . 0 0 "[ . 1 . 2 .]" 1
1930 1 124 THR H 1 124 THR HB . . 3.700 2.933 2.578 3.619 . 0 0 "[ . 1 . 2 .]" 1
1931 1 124 THR H 1 124 THR MG . . 4.360 2.591 2.379 2.939 . 0 0 "[ . 1 . 2 .]" 1
1932 1 124 THR HA 1 124 THR HB . . 2.720 2.587 2.503 2.643 . 0 0 "[ . 1 . 2 .]" 1
1933 1 124 THR HA 1 124 THR MG . . 3.500 2.895 2.120 3.236 . 0 0 "[ . 1 . 2 .]" 1
1934 1 125 LYS HA 1 125 LYS QB . . 2.800 2.369 2.294 2.427 . 0 0 "[ . 1 . 2 .]" 1
1935 1 125 LYS HA 1 125 LYS QG . . 2.690 2.424 2.206 2.876 0.186 22 0 "[ . 1 . 2 .]" 1
1936 1 125 LYS QB 1 129 GLY QA . . 3.980 3.070 2.692 3.282 . 0 0 "[ . 1 . 2 .]" 1
1937 1 125 LYS QB 1 125 LYS QG . . 2.400 2.082 2.043 2.129 . 0 0 "[ . 1 . 2 .]" 1
1938 1 125 LYS QE 1 125 LYS QG . . 3.160 2.110 1.952 2.383 . 0 0 "[ . 1 . 2 .]" 1
1939 1 125 LYS QG 1 126 GLU QG . . 4.630 3.981 3.705 4.467 . 0 0 "[ . 1 . 2 .]" 1
1940 1 125 LYS QE 1 126 GLU QG . . 4.310 5.274 4.121 6.403 2.093 8 22 "[***** *+** **** ********-]" 1
1941 1 126 GLU H 1 126 GLU HA . . 2.580 2.772 2.656 2.814 0.234 8 0 "[ . 1 . 2 .]" 1
1942 1 126 GLU H 1 126 GLU HB3 . . 4.340 3.658 3.602 3.812 . 0 0 "[ . 1 . 2 .]" 1
1943 1 126 GLU H 1 126 GLU QG . . 4.090 4.152 3.987 4.250 0.160 6 0 "[ . 1 . 2 .]" 1
1944 1 126 GLU HA 1 126 GLU HB3 . . 2.940 2.924 2.858 2.948 0.008 5 0 "[ . 1 . 2 .]" 1
1945 1 126 GLU HA 1 126 GLU HB2 . . 2.720 2.892 2.837 2.953 0.233 20 0 "[ . 1 . 2 .]" 1
1946 1 126 GLU HA 1 126 GLU QG . . 2.760 2.121 2.015 2.471 . 0 0 "[ . 1 . 2 .]" 1
1947 1 126 GLU HA 1 127 ASN H . . 3.700 3.531 3.392 3.608 . 0 0 "[ . 1 . 2 .]" 1
1948 1 126 GLU HB3 1 126 GLU QG . . 2.470 2.478 2.206 2.569 0.099 7 0 "[ . 1 . 2 .]" 1
1949 1 126 GLU HB3 1 127 ASN H . . 2.650 2.096 1.823 2.294 . 0 0 "[ . 1 . 2 .]" 1
1950 1 126 GLU HB3 1 128 GLN H . . 3.120 3.510 3.291 3.986 0.866 19 6 "[ . - **.* +* .]" 1
1951 1 126 GLU HB2 1 127 ASN H . . 2.470 2.863 2.599 2.993 0.523 13 1 "[ . 1 + . 2 .]" 1
1952 1 127 ASN H 1 127 ASN QB . . 3.230 2.807 2.724 3.197 . 0 0 "[ . 1 . 2 .]" 1
1953 1 127 ASN HA 1 128 GLN H . . 3.520 3.439 2.871 3.586 0.066 6 0 "[ . 1 . 2 .]" 1
1954 1 127 ASN QB 1 127 ASN QD . . 2.980 2.164 2.069 2.391 . 0 0 "[ . 1 . 2 .]" 1
1955 1 128 GLN H 1 128 GLN HB2 . . 3.980 3.177 2.788 3.619 . 0 0 "[ . 1 . 2 .]" 1
1956 1 128 GLN H 1 128 GLN HB3 . . 3.950 3.386 2.782 3.796 . 0 0 "[ . 1 . 2 .]" 1
1957 1 128 GLN H 1 128 GLN HE21 . . 6.000 6.302 4.994 6.762 0.762 19 10 "[-** ** ** * . +2* .]" 1
1958 1 128 GLN HA 1 128 GLN HB2 . . 2.720 2.727 2.289 2.987 0.267 9 0 "[ . 1 . 2 .]" 1
1959 1 128 GLN HA 1 128 GLN QG . . 2.510 2.240 1.998 2.639 0.129 8 0 "[ . 1 . 2 .]" 1
1960 1 128 GLN HB2 1 128 GLN QG . . 2.800 2.334 2.171 2.547 . 0 0 "[ . 1 . 2 .]" 1
1961 1 129 GLY H 1 129 GLY QA . . 2.440 2.434 2.338 2.529 0.089 16 0 "[ . 1 . 2 .]" 1
1962 1 129 GLY QA 1 130 GLU H . . 2.650 2.170 2.087 2.251 . 0 0 "[ . 1 . 2 .]" 1
1963 1 130 GLU H 1 130 GLU HA . . 2.860 2.901 2.613 3.058 0.198 21 0 "[ . 1 . 2 .]" 1
1964 1 130 GLU H 1 130 GLU QB . . 2.400 2.161 2.051 2.796 0.396 16 0 "[ . 1 . 2 .]" 1
1965 1 130 GLU H 1 130 GLU HG3 . . 5.350 3.881 1.947 4.412 . 0 0 "[ . 1 . 2 .]" 1
1966 1 130 GLU HA 1 130 GLU HG2 . . 3.910 2.846 2.042 3.661 . 0 0 "[ . 1 . 2 .]" 1
1967 1 130 GLU HA 1 130 GLU HG3 . . 3.590 2.486 2.032 3.588 . 0 0 "[ . 1 . 2 .]" 1
1968 1 130 GLU HA 1 131 LEU H . . 2.400 2.309 2.155 2.441 0.041 7 0 "[ . 1 . 2 .]" 1
1969 1 130 GLU HA 1 131 LEU QD . . 6.880 4.531 2.591 5.121 . 0 0 "[ . 1 . 2 .]" 1
1970 1 130 GLU QB 1 130 GLU HG2 . . 2.640 2.316 2.156 2.547 . 0 0 "[ . 1 . 2 .]" 1
1971 1 130 GLU QB 1 130 GLU HG3 . . 2.640 2.423 2.158 2.590 . 0 0 "[ . 1 . 2 .]" 1
1972 1 130 GLU QB 1 131 LEU H . . 3.050 2.980 2.690 3.217 0.167 8 0 "[ . 1 . 2 .]" 1
1973 1 130 GLU HG2 1 131 LEU H . . 5.170 3.414 2.465 4.672 . 0 0 "[ . 1 . 2 .]" 1
1974 1 130 GLU HG3 1 131 LEU H . . 5.680 3.605 2.293 5.256 . 0 0 "[ . 1 . 2 .]" 1
1975 1 131 LEU H 1 131 LEU QB . . 2.980 2.432 2.185 3.015 0.035 8 0 "[ . 1 . 2 .]" 1
1976 1 131 LEU H 1 131 LEU HG . . 4.640 4.070 2.023 4.734 0.094 13 0 "[ . 1 . 2 .]" 1
1977 1 131 LEU HA 1 131 LEU QB . . 2.510 2.467 2.125 2.595 0.085 3 0 "[ . 1 . 2 .]" 1
1978 1 131 LEU HA 1 131 LEU HG . . 3.480 2.822 2.234 3.783 0.303 20 0 "[ . 1 . 2 .]" 1
1979 1 131 LEU HA 1 131 LEU QD . . 3.970 2.196 1.894 3.356 . 0 0 "[ . 1 . 2 .]" 1
1980 1 131 LEU HA 1 132 LYS H . . 2.400 2.198 2.072 2.311 . 0 0 "[ . 1 . 2 .]" 1
1981 1 131 LEU QB 1 132 LYS H . . 4.060 3.314 2.651 3.711 . 0 0 "[ . 1 . 2 .]" 1
1982 1 131 LEU QD 1 132 LYS H . . 6.380 2.386 1.774 4.145 . 0 0 "[ . 1 . 2 .]" 1
1983 1 132 LYS H 1 132 LYS QB . . 2.690 3.248 3.144 3.309 0.619 10 22 "[*********+*** *-** * ****]" 1
1984 1 132 LYS H 1 132 LYS QG . . 3.660 2.248 2.046 2.424 . 0 0 "[ . 1 . 2 .]" 1
1985 1 132 LYS H 1 132 LYS HD2 . . 5.750 4.738 4.146 5.062 . 0 0 "[ . 1 . 2 .]" 1
1986 1 132 LYS H 1 133 LEU H . . 5.030 4.365 4.310 4.444 . 0 0 "[ . 1 . 2 .]" 1
1987 1 132 LYS HA 1 132 LYS QB . . 2.540 2.140 2.084 2.167 . 0 0 "[ . 1 . 2 .]" 1
1988 1 132 LYS HA 1 132 LYS QG . . 2.620 3.351 3.252 3.457 0.837 21 25 [*******************-+****] 1
1989 1 132 LYS HA 1 133 LEU H . . 2.400 2.430 2.212 2.510 0.110 23 0 "[ . 1 . 2 .]" 1
1990 1 132 LYS QB 1 133 LEU H . . 3.440 2.263 2.128 2.686 . 0 0 "[ . 1 . 2 .]" 1
1991 1 132 LYS QB 1 132 LYS QG . . 2.400 2.116 2.075 2.149 . 0 0 "[ . 1 . 2 .]" 1
1992 1 133 LEU H 1 133 LEU QB . . 2.800 2.279 2.140 2.374 . 0 0 "[ . 1 . 2 .]" 1
1993 1 133 LEU H 1 133 LEU MD1 . . 5.230 3.981 3.626 4.300 . 0 0 "[ . 1 . 2 .]" 1
1994 1 133 LEU H 1 133 LEU MD2 . . 5.660 4.321 4.164 4.402 . 0 0 "[ . 1 . 2 .]" 1
1995 1 133 LEU HA 1 133 LEU QB . . 2.400 2.476 2.385 2.530 0.130 8 0 "[ . 1 . 2 .]" 1
1996 1 133 LEU HA 1 134 CYS H . . 2.470 2.198 2.134 2.269 . 0 0 "[ . 1 . 2 .]" 1
1997 1 133 LEU HG 1 134 CYS H . . 4.630 2.597 2.276 3.131 . 0 0 "[ . 1 . 2 .]" 1
1998 1 133 LEU HG 1 134 CYS HA . . 5.820 4.818 4.479 5.208 . 0 0 "[ . 1 . 2 .]" 1
1999 1 133 LEU MD1 1 134 CYS H . . 4.470 3.015 2.681 3.425 . 0 0 "[ . 1 . 2 .]" 1
2000 1 133 LEU MD2 1 134 CYS H . . 7.030 4.200 3.796 4.608 . 0 0 "[ . 1 . 2 .]" 1
2001 1 134 CYS H 1 134 CYS HB2 . . 3.050 2.488 2.305 2.598 . 0 0 "[ . 1 . 2 .]" 1
2002 1 134 CYS H 1 134 CYS HB3 . . 3.700 3.557 3.537 3.584 . 0 0 "[ . 1 . 2 .]" 1
2003 1 134 CYS HA 1 134 CYS HB3 . . 2.510 2.479 2.408 2.635 0.125 22 0 "[ . 1 . 2 .]" 1
2004 1 134 CYS HA 1 135 SER H . . 2.870 2.625 2.395 2.747 . 0 0 "[ . 1 . 2 .]" 1
2005 1 134 CYS HB2 1 135 SER HA . . 4.380 4.463 4.325 4.701 0.321 1 0 "[ . 1 . 2 .]" 1
2006 1 134 CYS HB3 1 135 SER H . . 2.940 2.001 1.845 2.197 . 0 0 "[ . 1 . 2 .]" 1
2007 1 135 SER H 1 135 SER QB . . 2.980 2.944 2.670 3.270 0.290 21 0 "[ . 1 . 2 .]" 1
2008 1 135 SER HA 1 135 SER QB . . 2.400 2.302 2.123 2.517 0.117 8 0 "[ . 1 . 2 .]" 1
2009 1 135 SER HA 1 136 HIS H . . 2.720 2.170 2.042 2.331 . 0 0 "[ . 1 . 2 .]" 1
2010 1 135 SER HA 1 136 HIS HD2 . . 4.600 5.555 3.321 7.403 2.803 4 22 "[***+*****-** **********.]" 1
2011 1 135 SER QB 1 136 HIS H . . 2.940 3.638 3.387 3.857 0.917 21 20 "[* **** -********** 2+** *]" 1
2012 1 136 HIS H 1 136 HIS HD2 . . 5.460 3.826 2.088 5.203 . 0 0 "[ . 1 . 2 .]" 1
2013 1 136 HIS HA 1 136 HIS QB . . 2.440 2.177 2.125 2.253 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 15
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 3295.414
_Distance_constraint_stats_list.Viol_max 8.113
_Distance_constraint_stats_list.Viol_rms 1.2756
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3515
_Distance_constraint_stats_list.Viol_average_violations_only 2.6363
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 26 SER 6.282 0.835 1 6 "[+ . - ** .* 2 * .]"
1 29 LYS 6.282 0.835 1 6 "[+ . - ** .* 2 * .]"
1 32 SER 28.588 5.653 11 5 "[ . 1+ - * 2 **]"
1 34 TYR 4.719 1.388 25 4 "[ . 1* - 2 *+]"
1 92 TYR 125.535 8.113 15 5 "[ . 1* + * 2 **]"
1 100 LYS 35.388 8.113 15 5 "[ . 1* + - 2 **]"
1 103 PRO 56.839 5.647 15 5 "[ . 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 26 SER HG 1 29 LYS HB3 . . 6.000 4.438 3.405 5.195 . 0 0 "[ . 1 . 2 .]" 2
2 1 26 SER HG 1 29 LYS HB2 . . 6.000 4.189 2.689 5.460 . 0 0 "[ . 1 . 2 .]" 2
3 1 26 SER HG 1 29 LYS HG2 . . 6.000 5.624 4.201 6.835 0.835 1 5 "[+ . - ** .* 2 .]" 2
4 1 26 SER HG 1 29 LYS HG3 . . 6.000 4.980 2.910 6.644 0.644 22 1 "[ . 1 . 2 + .]" 2
5 1 32 SER QB 1 92 TYR HH . . 6.000 4.823 2.373 11.653 5.653 11 5 "[ . 1+ * - 2 **]" 2
6 1 32 SER QB 1 92 TYR QD . . 7.280 4.844 3.329 6.793 . 0 0 "[ . 1 . 2 .]" 2
7 1 32 SER HG 1 92 TYR QE . . 7.000 4.304 2.121 9.172 2.172 24 4 "[ . 1* - 2 +*]" 2
8 1 34 TYR QB 1 92 TYR QD . . 7.000 3.704 2.779 5.065 . 0 0 "[ . 1 . 2 .]" 2
9 1 34 TYR QB 1 92 TYR QE . . 7.000 3.413 2.038 6.480 . 0 0 "[ . 1 . 2 .]" 2
10 1 34 TYR QD 1 92 TYR QD . . 7.000 4.695 3.806 6.286 . 0 0 "[ . 1 . 2 .]" 2
11 1 34 TYR QE 1 92 TYR QE . . 7.000 4.910 3.632 8.388 1.388 25 4 "[ . 1* - 2 *+]" 2
12 1 92 TYR HH 1 100 LYS HA . . 6.000 6.930 4.132 14.113 8.113 15 5 "[ . 1* + - 2 **]" 2
13 1 92 TYR HH 1 103 PRO QB . . 6.000 4.897 2.770 9.804 3.804 11 4 "[ . 1+ * 2 *-]" 2
14 1 92 TYR HH 1 103 PRO QD . . 6.000 5.719 2.717 11.647 5.647 15 4 "[ . 1* + 2 *-]" 2
15 1 92 TYR HH 1 103 PRO QG . . 6.000 6.015 3.298 11.442 5.442 11 5 "[ . 1+ * - 2 **]" 2
stop_
save_
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