NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577484 |
2mkw   |
19798 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mkw
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 799
_Distance_constraint_stats_list.Viol_count 1746
_Distance_constraint_stats_list.Viol_total 36380.801
_Distance_constraint_stats_list.Viol_max 6.301
_Distance_constraint_stats_list.Viol_rms 0.4929
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1138
_Distance_constraint_stats_list.Viol_average_violations_only 1.0418
_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 ASN 76.055 4.318 10 20 [*********+****-*****]
1 2 PHE 111.210 6.301 12 20 [***********+******-*]
1 3 MET 51.927 3.632 5 19 "[* **+**********-****]"
1 4 LEU 7.048 0.953 16 1 "[ . 1 .+ 2]"
1 5 THR 5.385 0.953 16 1 "[ . 1 .+ 2]"
1 6 GLN 20.193 0.991 17 19 "[** *************+-**]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 2.747 0.456 8 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 7.280 0.745 3 4 "[ *+ . *1 -. 2]"
1 12 GLU 32.939 2.215 14 19 "[ **********-*+******]"
1 13 SER 42.272 1.931 14 20 [*********-***+******]
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 22.073 1.337 5 18 "[****+*********.-* **]"
1 16 LYS 35.430 1.892 17 20 [*********-******+***]
1 17 THR 8.894 0.884 18 11 "[*- *.*** * ** * + 2]"
1 18 VAL 15.012 1.071 18 13 "[** *.***-**** * + 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 40.751 2.308 5 20 [****+**-************]
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 2.721 0.457 6 0 "[ . 1 . 2]"
1 23 THR 0.398 0.398 20 0 "[ . 1 . 2]"
1 24 GLY 13.297 1.582 17 14 "[** *- **** **+***]"
1 25 SER 366.276 6.096 4 20 [***+***********-****]
1 26 SER 78.140 3.685 14 19 "[* ***********+*****-]"
1 27 GLY 66.012 2.509 19 18 "[********-1****** *+*]"
1 28 SER 26.620 6.301 12 7 "[ -* * 1 + *. * *2]"
1 29 ILE 403.999 6.096 4 20 [***+**-*************]
1 30 ALA 14.499 1.065 8 17 "[ ***. *+-***********]"
1 31 SER 20.183 0.956 17 15 "[** *.******** * +**2]"
1 32 ASN 35.305 1.065 8 19 [****.*-+************]
1 33 TYR 2.057 0.529 3 1 "[ + . 1 . 2]"
1 34 VAL 13.666 1.513 12 10 "[ ** .*- ***+ .** 2]"
1 35 GLN 8.085 0.707 4 8 "[ +. * ** **- *2]"
1 36 TRP 234.918 4.294 20 20 [********-**********+]
1 37 TYR 9.771 1.361 13 7 "[ * .* -1 + .* * *]"
1 38 GLN 80.184 4.294 20 20 [***************-***+]
1 39 GLN 6.871 1.907 10 6 "[ . ** +* . -*]"
1 40 ARG 2.173 0.571 15 1 "[ . 1 + 2]"
1 41 PRO 7.434 1.163 20 6 "[ *-. 1*** . +]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 1.973 0.571 15 1 "[ . 1 + 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 2.475 0.870 20 2 "[ . 1- . +]"
1 46 THR 29.970 2.067 13 19 "[********-***+ ******]"
1 47 THR 6.701 1.943 16 4 "[ -** 1 .+ 2]"
1 48 VAL 124.120 2.577 19 20 [********-*********+*]
1 49 ILE 35.362 1.324 5 19 "[****+-* ************]"
1 50 TYR 21.633 2.577 19 14 "[*** . ****** *.** +*]"
1 51 GLU 3.859 0.529 3 2 "[ + . 1 . -2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 18.155 1.324 5 14 "[** *+** ** * *-* **]"
1 54 GLN 6.867 0.504 15 1 "[ . 1 + 2]"
1 55 ARG 7.343 0.944 16 5 "[ * .* 1 **.+ 2]"
1 56 PRO 0.288 0.288 16 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 52.575 3.424 1 20 [+**************-****]
1 60 PRO 4.588 0.639 13 3 "[ - *. 1 + . 2]"
1 61 ASP 128.075 4.963 5 20 [****+**************-]
1 62 ARG 22.664 1.233 12 20 [*-*********+********]
1 63 PHE 50.761 3.424 1 20 [+****-**************]
1 64 SER 105.406 3.148 12 20 [***-*******+********]
1 65 GLY 2.206 0.771 1 1 "[+ . 1 . 2]"
1 66 SER 40.802 1.989 9 20 [*******-+***********]
1 67 ILE 194.035 4.554 20 20 [-******************+]
1 68 ASP 0.267 0.095 7 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.693 0.289 1 0 "[ . 1 . 2]"
1 72 ASN 165.696 4.554 20 20 [***-***************+]
1 73 SER 34.974 1.934 7 20 [******+***-*********]
1 74 ALA 62.478 2.429 12 20 [-**********+********]
1 75 SER 30.833 1.878 8 14 "[*- ** *+ * * ***** *]"
1 76 LEU 48.384 2.308 5 20 [****+**-************]
1 77 THR 37.421 1.989 9 20 [********+-**********]
1 78 ILE 6.087 0.509 8 1 "[ . + 1 . 2]"
1 79 SER 70.830 2.499 13 20 [************+******-]
1 80 GLY 78.966 4.963 5 20 [****+**-************]
1 81 LEU 29.409 1.705 16 20 [*******-*******+****]
1 82 LYS 19.177 1.337 5 18 "[****+*********.-* **]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 24.359 1.608 14 20 [*******-*****+******]
1 85 ASP 52.484 2.215 14 20 [*******-*****+******]
1 86 GLU 18.523 1.163 20 16 "[ *********-**. ***+]"
1 87 ALA 30.149 1.608 14 20 [*************+***-**]
1 88 ASP 0.200 0.098 17 0 "[ . 1 . 2]"
1 89 TYR 7.506 0.725 11 5 "[ . * 1+- . * *]"
1 90 TYR 25.799 1.907 10 18 "[** ******+* *****-**]"
1 91 CYS 0.146 0.146 9 0 "[ . 1 . 2]"
1 92 GLN 16.005 0.707 4 8 "[ +. * ** **- *2]"
1 93 SER 19.723 0.510 15 1 "[ . 1 + 2]"
1 94 TYR 20.089 0.957 10 9 "[* * . *+ **-* *]"
1 95 ASP 5.944 1.501 16 4 "[ * . * 1 -.+ 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.907 0.542 14 1 "[ . 1 +. 2]"
1 98 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 5.037 1.501 16 4 "[ * . - 1 *.+ 2]"
1 100 VAL 0.442 0.442 13 0 "[ . 1 . 2]"
1 101 VAL 2.400 0.442 13 0 "[ . 1 . 2]"
1 102 PHE 1.727 0.366 8 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 8.090 0.683 17 5 "[** . * 1 . + *2]"
1 106 THR 5.605 0.456 8 0 "[ . 1 . 2]"
1 107 LYS 2.858 0.413 20 0 "[ . 1 . 2]"
1 108 LEU 42.632 1.483 8 20 [*******+***-********]
1 109 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.078 0.045 4 0 "[ . 1 . 2]"
1 111 LEU 21.183 1.931 14 13 "[*** * ***1 *+.** **]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN QD 1 2 PHE QE 4.980 . 4.980 7.129 4.550 9.298 4.318 10 16 "[****** *+* **-* ***]" 1
2 1 2 PHE QB 1 25 SER QB 5.020 . 5.020 4.952 2.832 5.981 0.961 1 6 "[+ * .* ** - . 2]" 1
3 1 2 PHE QD 1 3 MET H 4.810 . 4.810 3.693 2.918 4.315 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 4 LEU HA 5.130 . 5.130 4.654 4.623 4.694 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET H 1 25 SER QB 5.180 . 5.180 2.663 1.954 3.190 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET H 1 26 SER HB3 4.810 . 4.810 4.091 3.590 4.358 . 0 0 "[ . 1 . 2]" 1
7 1 2 PHE QB 1 3 MET H 5.120 . 5.120 3.264 2.113 3.938 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 25 SER H 4.940 . 4.940 2.961 2.595 3.267 . 0 0 "[ . 1 . 2]" 1
9 1 2 PHE HA 1 3 MET H 4.410 . 4.410 2.222 2.108 2.602 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 3 MET QG 5.050 . 5.050 3.659 2.991 4.354 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET H 1 4 LEU H . . 5.210 4.382 4.357 4.412 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET HA 1 101 VAL QG 5.300 . 5.300 3.337 2.215 4.334 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU HG 4.620 . 4.620 2.800 2.616 3.063 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU MD2 4.980 . 4.980 4.032 3.932 4.131 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU MD1 4.970 . 4.970 3.525 3.218 3.913 . 0 0 "[ . 1 . 2]" 1
16 1 3 MET HB3 1 4 LEU H 4.690 . 4.690 2.648 2.318 3.193 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HA 1 4 LEU H 4.280 . 4.280 2.457 2.427 2.492 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET QG 1 4 LEU H 4.950 . 4.950 3.398 1.813 4.124 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HB3 1 4 LEU HA 5.490 . 5.490 4.402 4.249 4.640 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU MD2 1 5 THR H 4.950 . 4.950 3.331 2.984 3.740 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR H 1 24 GLY HA3 5.560 . 5.560 5.070 4.906 5.131 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 23 THR H . . 4.830 3.000 2.512 3.461 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU HA 1 5 THR H 4.600 . 4.600 2.187 2.117 2.241 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU H 1 5 THR H 5.610 . 5.610 4.442 4.336 4.504 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QB 1 5 THR HB 4.920 . 4.920 5.186 4.976 5.873 0.953 16 1 "[ . 1 .+ 2]" 1
26 1 6 GLN HE21 1 89 TYR HB3 5.550 . 5.550 5.221 4.535 5.733 0.183 12 0 "[ . 1 . 2]" 1
27 1 6 GLN HE22 1 20 ILE MG 5.300 . 5.300 3.863 3.301 4.240 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLN HE22 1 89 TYR HB3 5.590 . 5.590 4.648 3.995 5.593 0.003 12 0 "[ . 1 . 2]" 1
29 1 6 GLN HE22 1 89 TYR QD 5.880 . 5.880 6.076 5.171 6.605 0.725 11 4 "[ . 1+- . * *]" 1
30 1 6 GLN HE22 1 106 THR H . . 5.660 4.111 3.376 4.726 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLN HE22 1 105 GLY HA2 5.640 . 5.640 2.588 1.930 3.387 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLN HA 1 6 GLN HE22 5.650 . 5.650 5.665 5.454 5.886 0.236 5 0 "[ . 1 . 2]" 1
33 1 6 GLN HE21 1 106 THR H 5.450 . 5.450 4.299 3.311 4.870 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN HE21 1 105 GLY HA3 5.690 . 5.690 4.887 4.307 5.631 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLN HE21 1 90 TYR HA 5.500 . 5.500 4.819 4.257 5.222 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLN H 1 105 GLY H 5.850 . 5.850 5.042 4.488 5.583 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 6 GLN H 5.600 . 5.600 2.142 2.082 2.201 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLN H 1 6 GLN HG3 5.710 . 5.710 2.305 2.070 2.558 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR HB 1 6 GLN H 5.680 . 5.680 4.280 3.295 4.439 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR MG 1 6 GLN H 5.120 . 5.120 3.046 2.421 4.248 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN HE21 1 105 GLY HA2 5.410 . 5.410 3.386 2.821 3.995 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLN HE21 1 20 ILE MG 5.370 . 5.370 3.382 2.662 3.864 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN HA 1 7 PRO HD2 5.220 . 5.220 2.835 2.296 3.387 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN HG3 1 103 GLY HA3 . . 5.020 4.016 3.734 4.384 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLN QB 1 90 TYR HA . . 5.170 5.836 5.485 6.161 0.991 17 18 "[** ******** ****+-**]" 1
46 1 6 GLN HG3 1 7 PRO HD2 5.360 . 5.360 4.825 4.672 5.003 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HG3 1 103 GLY HA2 5.530 . 5.530 4.786 4.299 5.064 . 0 0 "[ . 1 . 2]" 1
48 1 9 SER H 1 10 VAL H 5.320 . 5.320 4.247 4.139 4.333 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO HB2 1 9 SER H 5.040 . 5.040 3.007 2.562 3.536 . 0 0 "[ . 1 . 2]" 1
50 1 7 PRO HB3 1 9 SER H 4.850 . 4.850 3.789 3.583 4.022 . 0 0 "[ . 1 . 2]" 1
51 1 7 PRO HA 1 9 SER H 4.730 . 4.730 4.015 3.567 4.234 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER H 1 106 THR MG 5.080 . 5.080 3.518 2.896 3.993 . 0 0 "[ . 1 . 2]" 1
53 1 9 SER H 1 10 VAL MG1 5.230 . 5.230 4.308 3.896 4.438 . 0 0 "[ . 1 . 2]" 1
54 1 9 SER HB3 1 107 LYS QB 5.240 . 5.240 3.294 2.452 3.990 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER HA 1 106 THR MG . . 5.060 2.616 2.073 3.065 . 0 0 "[ . 1 . 2]" 1
56 1 10 VAL H 1 106 THR MG 4.880 . 4.880 3.380 3.074 3.726 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL H 1 10 VAL MG1 4.710 . 4.710 2.253 2.091 2.431 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL H 1 108 LEU MD1 5.250 . 5.250 4.179 3.826 4.397 . 0 0 "[ . 1 . 2]" 1
59 1 10 VAL H 1 107 LYS H 4.860 . 4.860 3.950 3.584 4.233 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL H 1 107 LYS QG 5.440 . 5.440 4.088 3.455 4.639 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER HA 1 10 VAL H 4.430 . 4.430 2.312 2.222 2.464 . 0 0 "[ . 1 . 2]" 1
62 1 9 SER QB 1 10 VAL H 4.640 . 4.640 3.024 2.539 3.491 . 0 0 "[ . 1 . 2]" 1
63 1 9 SER QB 1 10 VAL HA 5.340 . 5.340 4.182 3.917 4.558 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER HA 1 10 VAL MG1 4.950 . 4.950 3.252 3.147 3.339 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL HA 1 11 SER H 4.100 . 4.100 2.325 2.277 2.374 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL H 1 11 SER H 5.050 . 5.050 4.333 4.284 4.366 . 0 0 "[ . 1 . 2]" 1
67 1 11 SER H 1 111 LEU QD 5.070 . 5.070 5.256 4.779 5.730 0.660 2 3 "[ + . *1 -. 2]" 1
68 1 10 VAL HB 1 11 SER H 4.650 . 4.650 3.810 3.636 3.912 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL MG1 1 11 SER H 4.410 . 4.410 3.721 3.585 3.961 . 0 0 "[ . 1 . 2]" 1
70 1 11 SER QB 1 111 LEU QD . . 4.810 2.705 2.057 3.407 . 0 0 "[ . 1 . 2]" 1
71 1 11 SER HA 1 109 THR HB 5.210 . 5.210 3.043 2.622 3.235 . 0 0 "[ . 1 . 2]" 1
72 1 11 SER HA 1 108 LEU MD1 5.380 . 5.380 2.837 2.281 3.498 . 0 0 "[ . 1 . 2]" 1
73 1 11 SER QB 1 12 GLU HA 4.810 . 4.810 4.029 3.884 4.207 . 0 0 "[ . 1 . 2]" 1
74 1 11 SER QB 1 111 LEU QB 5.190 . 5.190 5.100 4.326 5.935 0.745 3 2 "[ -+ . 1 . 2]" 1
75 1 11 SER QB 1 109 THR MG 5.330 . 5.330 3.356 2.647 3.803 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLU H 1 108 LEU HG 4.780 . 4.780 4.813 4.152 5.232 0.452 3 0 "[ . 1 . 2]" 1
77 1 12 GLU H 1 110 VAL HA 4.760 . 4.760 3.015 2.826 3.341 . 0 0 "[ . 1 . 2]" 1
78 1 12 GLU H 1 109 THR H 5.060 . 5.060 4.134 3.931 4.288 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLU H 1 111 LEU QD 4.450 . 4.450 3.144 2.116 3.889 . 0 0 "[ . 1 . 2]" 1
80 1 11 SER QB 1 12 GLU H 4.690 . 4.690 2.871 2.435 3.400 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLU H 1 13 SER H . . 5.220 4.322 4.228 4.391 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLU H 1 109 THR MG 5.290 . 5.290 4.387 3.929 4.534 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLU H 1 109 THR HB 5.070 . 5.070 4.403 4.040 4.589 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLU QG 1 18 VAL MG2 5.200 . 5.200 2.611 2.156 3.959 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLU QG 1 16 LYS HB2 5.390 . 5.390 2.830 2.194 4.351 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL MG2 1 12 GLU QB 4.920 . 4.920 3.549 3.351 3.754 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLU QB 1 81 LEU MD1 . . 5.080 2.461 2.016 3.270 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLU QG 1 16 LYS HB3 5.440 . 5.440 3.556 2.107 4.287 . 0 0 "[ . 1 . 2]" 1
89 1 12 GLU QG 1 81 LEU MD1 5.250 . 5.250 3.259 2.329 3.802 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLU QB 1 108 LEU MD1 4.960 . 4.960 3.071 2.634 3.695 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLU QG 1 13 SER H . . 4.750 2.613 1.863 3.749 . 0 0 "[ . 1 . 2]" 1
92 1 13 SER H 1 111 LEU QB 5.040 . 5.040 5.615 4.398 6.971 1.931 14 11 "[* * * ** 1 *+.** -*]" 1
93 1 13 SER H 1 16 LYS HB3 5.190 . 5.190 5.067 3.665 5.879 0.689 18 3 "[ . - . *+ 2]" 1
94 1 12 GLU QB 1 13 SER H 4.600 . 4.600 3.348 2.641 3.603 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLU HA 1 13 SER H 4.350 . 4.350 2.293 2.207 2.420 . 0 0 "[ . 1 . 2]" 1
96 1 13 SER H 1 111 LEU QD 4.700 . 4.700 3.582 3.146 3.988 . 0 0 "[ . 1 . 2]" 1
97 1 13 SER QB 1 16 LYS HA . . 5.020 6.274 5.577 6.912 1.892 17 20 [*-**************+***] 1
98 1 15 GLY H 1 81 LEU MD2 5.010 . 5.010 3.206 2.290 4.042 . 0 0 "[ . 1 . 2]" 1
99 1 15 GLY H 1 81 LEU H . . 5.330 3.640 2.714 4.171 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLY H 1 82 LYS QB . . 4.970 5.929 5.431 6.307 1.337 5 18 "[****+*********.-* **]" 1
101 1 15 GLY H 1 80 GLY QA 5.230 . 5.230 3.867 3.286 4.595 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLY H 1 82 LYS HA 5.550 . 5.550 4.721 3.820 5.070 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLY H 1 81 LEU HG 4.690 . 4.690 3.299 2.446 4.187 . 0 0 "[ . 1 . 2]" 1
104 1 14 PRO HA 1 15 GLY H 4.520 . 4.520 2.276 2.163 2.349 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLY H 1 16 LYS HB2 5.050 . 5.050 5.142 4.767 5.508 0.458 18 0 "[ . 1 . 2]" 1
106 1 15 GLY H 1 16 LYS H 4.990 . 4.990 2.851 2.634 3.082 . 0 0 "[ . 1 . 2]" 1
107 1 16 LYS H 1 81 LEU MD2 5.330 . 5.330 2.847 2.467 4.453 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS H 1 16 LYS HG2 5.080 . 5.080 2.510 1.877 4.433 . 0 0 "[ . 1 . 2]" 1
109 1 13 SER QB 1 16 LYS H 5.780 . 5.780 4.512 3.981 4.990 . 0 0 "[ . 1 . 2]" 1
110 1 16 LYS H 1 81 LEU HG 4.890 . 4.890 4.127 3.285 4.945 0.055 9 0 "[ . 1 . 2]" 1
111 1 14 PRO HA 1 16 LYS H 5.240 . 5.240 3.483 3.195 3.793 . 0 0 "[ . 1 . 2]" 1
112 1 15 GLY HA3 1 16 LYS H 5.330 . 5.330 2.955 2.875 3.128 . 0 0 "[ . 1 . 2]" 1
113 1 15 GLY HA2 1 16 LYS H 5.300 . 5.300 3.501 3.390 3.537 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS H 1 17 THR H 5.420 . 5.420 4.374 4.275 4.572 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU QG 1 16 LYS HA 5.260 . 5.260 5.235 4.549 6.012 0.752 3 6 "[ + . * 1 - *. * *]" 1
116 1 17 THR H 1 81 LEU MD2 5.650 . 5.650 3.562 3.156 4.424 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS HG2 1 17 THR H 5.070 . 5.070 4.381 3.260 4.877 . 0 0 "[ . 1 . 2]" 1
118 1 16 LYS QE 1 17 THR H 5.880 . 5.880 5.369 4.306 5.830 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS HB3 1 17 THR H 4.750 . 4.750 2.034 1.789 2.570 0.011 12 0 "[ . 1 . 2]" 1
120 1 16 LYS HA 1 17 THR H 4.730 . 4.730 2.741 2.354 2.859 . 0 0 "[ . 1 . 2]" 1
121 1 17 THR H 1 18 VAL H . . 5.160 4.463 4.414 4.554 . 0 0 "[ . 1 . 2]" 1
122 1 17 THR HB 1 18 VAL HA 5.420 . 5.420 4.390 4.271 4.489 . 0 0 "[ . 1 . 2]" 1
123 1 17 THR HA 1 81 LEU MD2 5.190 . 5.190 2.601 2.237 4.115 . 0 0 "[ . 1 . 2]" 1
124 1 18 VAL H 1 79 SER QB 5.290 . 5.290 5.883 5.242 6.361 1.071 18 13 "[** *.***-**** * + 2]" 1
125 1 18 VAL H 1 18 VAL MG2 4.590 . 4.590 3.195 2.768 3.955 . 0 0 "[ . 1 . 2]" 1
126 1 18 VAL H 1 77 THR HA 5.710 . 5.710 4.904 4.638 5.106 . 0 0 "[ . 1 . 2]" 1
127 1 18 VAL H 1 78 ILE HB 5.290 . 5.290 2.585 2.379 2.880 . 0 0 "[ . 1 . 2]" 1
128 1 18 VAL H 1 78 ILE QG 4.480 . 4.480 4.632 4.411 4.921 0.441 18 0 "[ . 1 . 2]" 1
129 1 17 THR HB 1 18 VAL H 5.150 . 5.150 2.427 2.268 2.565 . 0 0 "[ . 1 . 2]" 1
130 1 18 VAL H 1 79 SER HA 5.360 . 5.360 4.415 4.159 4.719 . 0 0 "[ . 1 . 2]" 1
131 1 18 VAL MG2 1 78 ILE MD 5.120 . 5.120 3.578 3.275 3.824 . 0 0 "[ . 1 . 2]" 1
132 1 18 VAL MG2 1 19 THR H 4.380 . 4.380 3.592 2.232 3.939 . 0 0 "[ . 1 . 2]" 1
133 1 18 VAL HB 1 19 THR H 4.660 . 4.660 4.219 4.123 4.295 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL HA 1 19 THR H 4.140 . 4.140 2.148 2.087 2.213 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL H 1 19 THR H 5.470 . 5.470 4.347 4.217 4.409 . 0 0 "[ . 1 . 2]" 1
136 1 19 THR H 1 20 ILE H . . 5.390 4.192 4.017 4.333 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL MG1 1 19 THR H 4.610 . 4.610 2.599 2.317 3.857 . 0 0 "[ . 1 . 2]" 1
138 1 19 THR MG 1 75 SER QB . . 4.760 2.852 2.505 3.822 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE H 1 78 ILE H 5.440 . 5.440 4.904 4.598 4.965 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE H 1 76 LEU QD 5.090 . 5.090 1.974 1.758 2.299 0.042 10 0 "[ . 1 . 2]" 1
141 1 20 ILE H 1 77 THR HA 4.850 . 4.850 4.322 3.926 4.417 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE H 1 76 LEU HG 4.840 . 4.840 4.610 4.417 4.951 0.111 5 0 "[ . 1 . 2]" 1
143 1 20 ILE H 1 20 ILE HG13 4.560 . 4.560 2.991 2.402 4.125 . 0 0 "[ . 1 . 2]" 1
144 1 20 ILE H 1 76 LEU H 5.300 . 5.300 2.916 2.713 3.117 . 0 0 "[ . 1 . 2]" 1
145 1 19 THR HA 1 20 ILE H 4.490 . 4.490 2.135 2.078 2.172 . 0 0 "[ . 1 . 2]" 1
146 1 20 ILE H 1 75 SER QB 5.420 . 5.420 4.655 4.295 4.792 . 0 0 "[ . 1 . 2]" 1
147 1 20 ILE H 1 21 SER H 5.780 . 5.780 4.370 4.227 4.496 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE H 1 75 SER HA 5.800 . 5.800 4.517 4.291 4.788 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE H 1 76 LEU HB3 5.600 . 5.600 3.547 3.228 4.201 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE HA 1 76 LEU HG 5.400 . 5.400 7.282 7.079 7.708 2.308 5 20 [****+****-**********] 1
151 1 20 ILE HA 1 21 SER H 4.870 . 4.870 2.154 2.114 2.201 . 0 0 "[ . 1 . 2]" 1
152 1 22 CYS H 1 74 ALA H . . 5.260 3.207 2.826 3.524 . 0 0 "[ . 1 . 2]" 1
153 1 21 SER QB 1 22 CYS H 5.360 . 5.360 3.457 3.025 3.858 . 0 0 "[ . 1 . 2]" 1
154 1 22 CYS H 1 75 SER HA 5.720 . 5.720 3.358 3.064 3.659 . 0 0 "[ . 1 . 2]" 1
155 1 21 SER HA 1 22 CYS H 5.310 . 5.310 2.168 2.135 2.222 . 0 0 "[ . 1 . 2]" 1
156 1 22 CYS H 1 23 THR HA 5.900 . 5.900 4.770 4.612 4.904 . 0 0 "[ . 1 . 2]" 1
157 1 5 THR MG 1 23 THR H 5.040 . 5.040 3.777 2.394 4.270 . 0 0 "[ . 1 . 2]" 1
158 1 4 LEU MD2 1 23 THR H 5.400 . 5.400 4.156 3.752 4.586 . 0 0 "[ . 1 . 2]" 1
159 1 23 THR H 1 73 SER QB 5.140 . 5.140 4.251 3.895 4.576 . 0 0 "[ . 1 . 2]" 1
160 1 6 GLN HA 1 23 THR H 5.360 . 5.360 3.739 3.347 4.156 . 0 0 "[ . 1 . 2]" 1
161 1 22 CYS QB 1 23 THR H 5.110 . 5.110 3.569 3.369 3.768 . 0 0 "[ . 1 . 2]" 1
162 1 22 CYS HA 1 23 THR H 4.440 . 4.440 2.182 2.143 2.212 . 0 0 "[ . 1 . 2]" 1
163 1 6 GLN HG3 1 23 THR H 5.520 . 5.520 4.970 4.828 5.043 . 0 0 "[ . 1 . 2]" 1
164 1 6 GLN QB 1 23 THR H 5.630 . 5.630 4.458 3.990 4.834 . 0 0 "[ . 1 . 2]" 1
165 1 23 THR MG 1 73 SER QB 5.270 . 5.270 2.746 2.164 3.634 . 0 0 "[ . 1 . 2]" 1
166 1 23 THR MG 1 73 SER HA 5.350 . 5.350 3.467 2.454 4.087 . 0 0 "[ . 1 . 2]" 1
167 1 4 LEU MD2 1 24 GLY H 5.170 . 5.170 3.638 3.211 3.923 . 0 0 "[ . 1 . 2]" 1
168 1 24 GLY H 1 29 ILE MD 4.780 . 4.780 5.289 4.031 6.362 1.582 17 14 "[** *- **** **+***]" 1
169 1 24 GLY H 1 73 SER QB 4.910 . 4.910 3.904 3.547 4.079 . 0 0 "[ . 1 . 2]" 1
170 1 23 THR HB 1 24 GLY H 5.100 . 5.100 4.047 3.806 4.319 . 0 0 "[ . 1 . 2]" 1
171 1 24 GLY H 1 25 SER H 5.220 . 5.220 4.501 4.394 4.549 . 0 0 "[ . 1 . 2]" 1
172 1 24 GLY H 1 73 SER HA 4.910 . 4.910 3.122 2.826 3.413 . 0 0 "[ . 1 . 2]" 1
173 1 23 THR HA 1 24 GLY H 4.540 . 4.540 2.193 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
174 1 24 GLY H 1 72 ASN QB 5.750 . 5.750 4.815 4.528 5.078 . 0 0 "[ . 1 . 2]" 1
175 1 24 GLY H 1 72 ASN QD . . 5.610 3.020 2.721 4.133 . 0 0 "[ . 1 . 2]" 1
176 1 4 LEU MD2 1 24 GLY HA2 5.370 . 5.370 2.197 2.051 2.310 . 0 0 "[ . 1 . 2]" 1
177 1 24 GLY HA2 1 25 SER H 4.530 . 4.530 2.267 2.127 2.485 . 0 0 "[ . 1 . 2]" 1
178 1 3 MET QG 1 25 SER H 5.610 . 5.610 5.899 5.221 6.431 0.821 19 6 "[ . * 1 **.- *+2]" 1
179 1 25 SER H 1 29 ILE MD 5.050 . 5.050 8.172 6.845 9.325 4.275 17 20 [*******-********+***] 1
180 1 4 LEU MD2 1 25 SER H 4.890 . 4.890 3.746 3.397 4.018 . 0 0 "[ . 1 . 2]" 1
181 1 5 THR H 1 25 SER H 5.450 . 5.450 5.073 4.351 5.488 0.038 15 0 "[ . 1 . 2]" 1
182 1 3 MET HB3 1 25 SER H 5.910 . 5.910 5.343 4.777 5.873 . 0 0 "[ . 1 . 2]" 1
183 1 2 PHE QD 1 25 SER H 5.400 . 5.400 4.820 3.892 5.947 0.547 19 1 "[ . 1 . +2]" 1
184 1 4 LEU HA 1 25 SER H 4.600 . 4.600 3.640 3.029 4.077 . 0 0 "[ . 1 . 2]" 1
185 1 25 SER H 1 26 SER HB3 5.270 . 5.270 4.512 3.871 4.818 . 0 0 "[ . 1 . 2]" 1
186 1 2 PHE HA 1 25 SER QB 4.930 . 4.930 3.699 2.534 4.352 . 0 0 "[ . 1 . 2]" 1
187 1 25 SER QB 1 29 ILE HB 5.210 . 5.210 10.288 9.369 11.306 6.096 4 20 [-**+****************] 1
188 1 2 PHE QB 1 25 SER HA 5.060 . 5.060 6.544 4.370 7.700 2.640 1 15 "[+** .* ****-* ** ***]" 1
189 1 1 ASN QB 1 26 SER H 5.440 . 5.440 6.989 4.120 9.125 3.685 14 16 "[* *** **** **+*** *-]" 1
190 1 26 SER H 1 72 ASN QD 5.850 . 5.850 4.561 3.313 5.842 . 0 0 "[ . 1 . 2]" 1
191 1 3 MET QG 1 26 SER H 5.510 . 5.510 7.790 5.547 9.142 3.632 5 19 "[* **+*************-*]" 1
192 1 25 SER HA 1 27 GLY H 4.950 . 4.950 4.276 3.137 6.201 1.251 14 1 "[ . 1 +. 2]" 1
193 1 2 PHE QD 1 27 GLY H 5.230 . 5.230 4.508 1.893 6.507 1.277 12 1 "[ . 1 + . 2]" 1
194 1 27 GLY QA 1 72 ASN QB . . 4.960 6.395 5.127 7.154 2.194 19 17 "[-******* 1****** *+*]" 1
195 1 27 GLY QA 1 72 ASN HA 5.380 . 5.380 7.008 5.753 7.889 2.509 19 18 "[********-1****** *+*]" 1
196 1 2 PHE QE 1 28 SER H 5.490 . 5.490 6.356 2.854 11.791 6.301 12 7 "[ -* * 1 + *. * *2]" 1
197 1 28 SER H 1 72 ASN QD 5.220 . 5.220 4.474 4.129 4.620 . 0 0 "[ . 1 . 2]" 1
198 1 28 SER HA 1 72 ASN QB 5.340 . 5.340 4.164 3.544 4.663 . 0 0 "[ . 1 . 2]" 1
199 1 29 ILE H 1 29 ILE MG 4.690 . 4.690 2.461 1.902 2.996 . 0 0 "[ . 1 . 2]" 1
200 1 29 ILE H 1 31 SER H 5.890 . 5.890 4.203 3.528 4.533 . 0 0 "[ . 1 . 2]" 1
201 1 28 SER HA 1 29 ILE H 4.640 . 4.640 2.178 2.128 2.251 . 0 0 "[ . 1 . 2]" 1
202 1 29 ILE H 1 30 ALA H 4.990 . 4.990 2.659 2.010 2.928 . 0 0 "[ . 1 . 2]" 1
203 1 28 SER QB 1 29 ILE H 5.020 . 5.020 3.257 2.798 3.914 . 0 0 "[ . 1 . 2]" 1
204 1 29 ILE H 1 72 ASN QD . . 5.300 3.391 2.356 4.075 . 0 0 "[ . 1 . 2]" 1
205 1 29 ILE H 1 72 ASN HA 5.760 . 5.760 3.270 2.720 3.713 . 0 0 "[ . 1 . 2]" 1
206 1 25 SER QB 1 29 ILE HA . . 4.900 9.370 8.205 10.519 5.619 4 20 [***+*************-**] 1
207 1 25 SER QB 1 29 ILE QG 5.380 . 5.380 8.687 7.647 10.311 4.931 4 20 [***+*******-********] 1
208 1 29 ILE QG 1 67 ILE QG 5.230 . 5.230 5.133 3.780 6.046 0.816 12 7 "[ ** 1 + * *-*]" 1
209 1 29 ILE HA 1 30 ALA H 5.170 . 5.170 3.281 3.172 3.424 . 0 0 "[ . 1 . 2]" 1
210 1 30 ALA H 1 31 SER H . . 4.580 2.067 1.930 2.335 . 0 0 "[ . 1 . 2]" 1
211 1 28 SER QB 1 30 ALA H 4.810 . 4.810 2.632 2.175 3.350 . 0 0 "[ . 1 . 2]" 1
212 1 29 ILE QG 1 30 ALA H . . 4.320 3.463 3.094 3.816 . 0 0 "[ . 1 . 2]" 1
213 1 29 ILE HB 1 30 ALA H 5.150 . 5.150 4.158 3.865 4.423 . 0 0 "[ . 1 . 2]" 1
214 1 28 SER HA 1 30 ALA H 5.150 . 5.150 3.606 3.355 3.754 . 0 0 "[ . 1 . 2]" 1
215 1 29 ILE MG 1 30 ALA H 4.500 . 4.500 4.263 4.116 4.422 . 0 0 "[ . 1 . 2]" 1
216 1 30 ALA MB 1 69 SER QB 5.260 . 5.260 2.152 1.921 2.486 . 0 0 "[ . 1 . 2]" 1
217 1 30 ALA MB 1 69 SER HB3 5.200 . 5.200 2.356 2.057 3.368 . 0 0 "[ . 1 . 2]" 1
218 1 30 ALA HA 1 32 ASN QB 5.160 . 5.160 5.885 5.590 6.225 1.065 8 17 "[ ***. *+-***********]" 1
219 1 29 ILE MG 1 31 SER H 4.960 . 4.960 5.374 5.042 5.562 0.602 19 7 "[ * .** 1* * . - +2]" 1
220 1 29 ILE HA 1 31 SER H 5.170 . 5.170 4.052 3.453 4.420 . 0 0 "[ . 1 . 2]" 1
221 1 30 ALA HA 1 31 SER H 4.780 . 4.780 3.443 3.306 3.517 . 0 0 "[ . 1 . 2]" 1
222 1 29 ILE QG 1 31 SER H 4.610 . 4.610 5.205 4.914 5.566 0.956 17 13 "[* -.******** * +* 2]" 1
223 1 31 SER HA 1 32 ASN HD21 5.810 . 5.810 4.973 4.550 5.328 . 0 0 "[ . 1 . 2]" 1
224 1 32 ASN HD21 1 96 SER HA 5.580 . 5.580 4.004 2.493 5.042 . 0 0 "[ . 1 . 2]" 1
225 1 32 ASN HD21 1 94 TYR HB3 5.470 . 5.470 4.770 4.349 4.985 . 0 0 "[ . 1 . 2]" 1
226 1 32 ASN HD21 1 94 TYR HB2 5.680 . 5.680 4.803 4.229 5.157 . 0 0 "[ . 1 . 2]" 1
227 1 31 SER QB 1 32 ASN HD21 5.040 . 5.040 3.807 2.794 4.351 . 0 0 "[ . 1 . 2]" 1
228 1 32 ASN HD22 1 96 SER HA 5.360 . 5.360 3.900 1.926 4.755 . 0 0 "[ . 1 . 2]" 1
229 1 32 ASN HD22 1 94 TYR HB3 5.420 . 5.420 5.839 5.174 6.377 0.957 10 8 "[- * . *+ **.* *]" 1
230 1 31 SER QB 1 32 ASN HD22 5.040 . 5.040 3.002 2.653 3.394 . 0 0 "[ . 1 . 2]" 1
231 1 32 ASN H 1 34 VAL MG2 5.330 . 5.330 4.589 4.332 5.034 . 0 0 "[ . 1 . 2]" 1
232 1 31 SER QB 1 32 ASN H 4.680 . 4.680 3.617 2.972 3.802 . 0 0 "[ . 1 . 2]" 1
233 1 30 ALA HA 1 32 ASN H 5.070 . 5.070 3.603 3.288 3.907 . 0 0 "[ . 1 . 2]" 1
234 1 31 SER HA 1 32 ASN H 4.900 . 4.900 3.373 3.334 3.436 . 0 0 "[ . 1 . 2]" 1
235 1 32 ASN H 1 32 ASN HD22 4.880 . 4.880 4.324 3.945 4.395 . 0 0 "[ . 1 . 2]" 1
236 1 29 ILE QG 1 32 ASN H 5.500 . 5.500 6.030 5.575 6.435 0.935 9 13 "[** .*- +*** **** *]" 1
237 1 32 ASN QB 1 33 TYR H 5.710 . 5.710 2.559 2.267 2.840 . 0 0 "[ . 1 . 2]" 1
238 1 32 ASN HA 1 33 TYR H 5.270 . 5.270 2.387 2.286 2.472 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL H 1 51 GLU HA 5.680 . 5.680 3.133 2.513 3.785 . 0 0 "[ . 1 . 2]" 1
240 1 34 VAL H 1 52 ASP HA 5.650 . 5.650 5.053 4.975 5.098 . 0 0 "[ . 1 . 2]" 1
241 1 33 TYR QD 1 34 VAL H 5.340 . 5.340 4.189 3.459 4.727 . 0 0 "[ . 1 . 2]" 1
242 1 33 TYR HA 1 34 VAL H 5.070 . 5.070 2.273 2.180 2.337 . 0 0 "[ . 1 . 2]" 1
243 1 34 VAL HB 1 67 ILE MD 5.360 . 5.360 5.510 4.798 6.873 1.513 12 5 "[ *- . * 1*+ . 2]" 1
244 1 34 VAL MG1 1 74 ALA MB . . 4.910 2.902 2.593 3.329 . 0 0 "[ . 1 . 2]" 1
245 1 34 VAL HB 1 93 SER HA 5.340 . 5.340 5.009 4.572 5.454 0.114 1 0 "[ . 1 . 2]" 1
246 1 34 VAL MG1 1 91 CYS HB3 5.450 . 5.450 3.720 3.070 4.922 . 0 0 "[ . 1 . 2]" 1
247 1 35 GLN H 1 93 SER HB3 5.600 . 5.600 5.323 4.925 5.712 0.112 17 0 "[ . 1 . 2]" 1
248 1 35 GLN H 1 94 TYR QD 5.410 . 5.410 4.734 4.242 5.177 . 0 0 "[ . 1 . 2]" 1
249 1 35 GLN H 1 93 SER HA 5.330 . 5.330 3.828 3.536 4.015 . 0 0 "[ . 1 . 2]" 1
250 1 35 GLN H 1 36 TRP H . . 5.830 4.435 4.356 4.484 . 0 0 "[ . 1 . 2]" 1
251 1 34 VAL MG2 1 35 GLN H 4.880 . 4.880 3.785 3.439 4.011 . 0 0 "[ . 1 . 2]" 1
252 1 34 VAL HA 1 35 GLN H 4.660 . 4.660 2.193 2.134 2.249 . 0 0 "[ . 1 . 2]" 1
253 1 34 VAL HB 1 35 GLN H 5.030 . 5.030 4.100 3.930 4.213 . 0 0 "[ . 1 . 2]" 1
254 1 34 VAL H 1 35 GLN H 5.770 . 5.770 4.381 4.323 4.448 . 0 0 "[ . 1 . 2]" 1
255 1 35 GLN H 1 92 GLN QG 5.440 . 5.440 4.576 3.972 4.728 . 0 0 "[ . 1 . 2]" 1
256 1 34 VAL HA 1 35 GLN QG 5.480 . 5.480 3.714 3.259 4.500 . 0 0 "[ . 1 . 2]" 1
257 1 35 GLN QG 1 92 GLN QG . . 5.130 5.517 5.070 5.837 0.707 4 8 "[ +. * ** **- *2]" 1
258 1 36 TRP H 1 49 ILE MG 5.090 . 5.090 3.739 2.997 4.275 . 0 0 "[ . 1 . 2]" 1
259 1 35 GLN QB 1 36 TRP H 5.360 . 5.360 2.682 2.351 3.062 . 0 0 "[ . 1 . 2]" 1
260 1 36 TRP H 1 92 GLN QB 5.910 . 5.910 5.041 4.364 5.254 . 0 0 "[ . 1 . 2]" 1
261 1 36 TRP H 1 49 ILE HB 5.260 . 5.260 3.272 2.964 3.857 . 0 0 "[ . 1 . 2]" 1
262 1 36 TRP H 1 50 TYR HA 5.430 . 5.430 3.929 3.651 4.179 . 0 0 "[ . 1 . 2]" 1
263 1 36 TRP H 1 37 TYR H . . 5.890 4.485 4.382 4.534 . 0 0 "[ . 1 . 2]" 1
264 1 35 GLN HA 1 36 TRP H 4.910 . 4.910 2.292 2.205 2.406 . 0 0 "[ . 1 . 2]" 1
265 1 36 TRP H 1 36 TRP HD1 5.420 . 5.420 2.498 2.088 2.967 . 0 0 "[ . 1 . 2]" 1
266 1 36 TRP H 1 49 ILE H 5.300 . 5.300 2.781 2.534 3.064 . 0 0 "[ . 1 . 2]" 1
267 1 35 GLN QG 1 36 TRP H 5.480 . 5.480 4.021 3.264 4.255 . 0 0 "[ . 1 . 2]" 1
268 1 36 TRP HE1 1 49 ILE HB 5.420 . 5.420 4.317 3.813 4.685 . 0 0 "[ . 1 . 2]" 1
269 1 36 TRP HE1 1 48 VAL HB 4.890 . 4.890 6.921 6.743 7.186 2.296 3 20 [**+-****************] 1
270 1 36 TRP HE1 1 49 ILE QG 5.150 . 5.150 5.723 5.476 6.041 0.891 12 14 "[ -* *** ***+**** * 2]" 1
271 1 36 TRP HE1 1 49 ILE MG 5.060 . 5.060 3.800 3.086 4.390 . 0 0 "[ . 1 . 2]" 1
272 1 36 TRP HE1 1 48 VAL QG 4.890 . 4.890 6.292 5.845 6.547 1.657 6 20 [**-**+**************] 1
273 1 36 TRP HE1 1 76 LEU HB3 5.760 . 5.760 5.155 3.994 6.190 0.430 20 0 "[ . 1 . 2]" 1
274 1 36 TRP HE1 1 65 GLY QA 5.440 . 5.440 3.065 2.484 3.519 . 0 0 "[ . 1 . 2]" 1
275 1 36 TRP HE1 1 76 LEU QD 5.630 . 5.630 4.685 4.188 5.408 . 0 0 "[ . 1 . 2]" 1
276 1 36 TRP HE1 1 66 SER H 5.830 . 5.830 4.097 3.355 4.873 . 0 0 "[ . 1 . 2]" 1
277 1 36 TRP HE1 1 64 SER HA 5.570 . 5.570 7.295 6.775 7.846 2.276 10 20 [******-**+**********] 1
278 1 36 TRP HA 1 92 GLN QG 5.380 . 5.380 4.188 3.385 4.616 . 0 0 "[ . 1 . 2]" 1
279 1 37 TYR H 1 48 VAL QG 5.420 . 5.420 3.428 2.949 3.846 . 0 0 "[ . 1 . 2]" 1
280 1 37 TYR H 1 90 TYR H 5.360 . 5.360 3.180 2.867 3.583 . 0 0 "[ . 1 . 2]" 1
281 1 36 TRP HB2 1 37 TYR H 5.350 . 5.350 3.926 3.610 4.150 . 0 0 "[ . 1 . 2]" 1
282 1 37 TYR H 1 91 CYS HA 5.510 . 5.510 3.650 3.155 4.057 . 0 0 "[ . 1 . 2]" 1
283 1 37 TYR H 1 37 TYR QD 5.070 . 5.070 3.347 2.813 3.734 . 0 0 "[ . 1 . 2]" 1
284 1 36 TRP HA 1 37 TYR H 4.770 . 4.770 2.222 2.139 2.315 . 0 0 "[ . 1 . 2]" 1
285 1 37 TYR H 1 92 GLN QG 5.750 . 5.750 4.392 3.928 4.876 . 0 0 "[ . 1 . 2]" 1
286 1 37 TYR H 1 49 ILE H 5.510 . 5.510 5.042 4.721 5.257 . 0 0 "[ . 1 . 2]" 1
287 1 37 TYR HA 1 48 VAL QG . . 5.320 2.470 2.065 3.018 . 0 0 "[ . 1 . 2]" 1
288 1 37 TYR HA 1 46 THR HB 5.330 . 5.330 5.783 5.037 6.691 1.361 13 7 "[ * .* -1 + .* * *]" 1
289 1 38 GLN QE 1 108 LEU MD2 . . 5.470 3.419 2.933 3.782 . 0 0 "[ . 1 . 2]" 1
290 1 38 GLN HA 1 38 GLN QE 5.750 . 5.750 4.019 3.152 4.308 . 0 0 "[ . 1 . 2]" 1
291 1 38 GLN QE 1 85 ASP HA 5.200 . 5.200 3.815 2.927 4.204 . 0 0 "[ . 1 . 2]" 1
292 1 36 TRP HZ3 1 38 GLN QE 5.380 . 5.380 8.319 6.534 9.674 4.294 20 20 [******-************+] 1
293 1 37 TYR H 1 38 GLN H 5.770 . 5.770 4.392 4.312 4.466 . 0 0 "[ . 1 . 2]" 1
294 1 38 GLN H 1 46 THR HB 5.350 . 5.350 4.632 3.418 5.651 0.301 18 0 "[ . 1 . 2]" 1
295 1 38 GLN H 1 46 THR H 5.310 . 5.310 2.623 2.243 3.049 . 0 0 "[ . 1 . 2]" 1
296 1 37 TYR HB3 1 38 GLN H 5.570 . 5.570 2.984 2.687 4.138 . 0 0 "[ . 1 . 2]" 1
297 1 37 TYR HA 1 38 GLN H 4.910 . 4.910 2.291 2.257 2.322 . 0 0 "[ . 1 . 2]" 1
298 1 38 GLN H 1 48 VAL QG 4.750 . 4.750 2.801 2.381 3.177 . 0 0 "[ . 1 . 2]" 1
299 1 37 TYR HB2 1 38 GLN H 5.290 . 5.290 3.864 2.781 4.128 . 0 0 "[ . 1 . 2]" 1
300 1 38 GLN QB 1 48 VAL QG 5.330 . 5.330 2.093 1.983 2.362 . 0 0 "[ . 1 . 2]" 1
301 1 39 GLN H 1 90 TYR QE 5.520 . 5.520 4.990 3.841 7.427 1.907 10 4 "[ . ** + . -2]" 1
302 1 39 GLN H 1 39 GLN QG 4.980 . 4.980 3.807 2.912 4.140 . 0 0 "[ . 1 . 2]" 1
303 1 38 GLN QB 1 39 GLN H 4.920 . 4.920 3.352 3.046 3.591 . 0 0 "[ . 1 . 2]" 1
304 1 38 GLN H 1 39 GLN H 5.290 . 5.290 4.363 4.238 4.477 . 0 0 "[ . 1 . 2]" 1
305 1 39 GLN H 1 88 ASP HB2 5.530 . 5.530 3.292 2.754 3.889 . 0 0 "[ . 1 . 2]" 1
306 1 39 GLN H 1 40 ARG H 5.510 . 5.510 4.067 3.957 4.258 . 0 0 "[ . 1 . 2]" 1
307 1 38 GLN QG 1 39 GLN H 4.970 . 4.970 3.714 2.280 4.046 . 0 0 "[ . 1 . 2]" 1
308 1 39 GLN H 1 89 TYR HA 5.390 . 5.390 3.323 3.057 3.578 . 0 0 "[ . 1 . 2]" 1
309 1 39 GLN H 1 88 ASP H 5.280 . 5.280 3.500 3.168 3.932 . 0 0 "[ . 1 . 2]" 1
310 1 38 GLN HA 1 39 GLN H 4.590 . 4.590 2.193 2.138 2.249 . 0 0 "[ . 1 . 2]" 1
311 1 39 GLN QE 1 45 PRO HA 5.790 . 5.790 4.842 2.728 6.660 0.870 20 2 "[ . 1- . +]" 1
312 1 39 GLN H 1 48 VAL QG 5.550 . 5.550 5.178 4.968 5.463 . 0 0 "[ . 1 . 2]" 1
313 1 39 GLN QG 1 45 PRO QG 4.780 . 4.780 3.218 2.306 4.000 . 0 0 "[ . 1 . 2]" 1
314 1 41 PRO HB3 1 42 GLY H 5.860 . 5.860 3.626 3.429 3.922 . 0 0 "[ . 1 . 2]" 1
315 1 42 GLY H 1 43 SER H . . 5.490 2.682 2.497 3.085 . 0 0 "[ . 1 . 2]" 1
316 1 41 PRO HA 1 42 GLY H 5.250 . 5.250 2.199 2.156 2.246 . 0 0 "[ . 1 . 2]" 1
317 1 41 PRO HB2 1 43 SER H 5.730 . 5.730 4.852 4.413 5.229 . 0 0 "[ . 1 . 2]" 1
318 1 42 GLY HA2 1 43 SER H 4.960 . 4.960 3.371 3.185 3.497 . 0 0 "[ . 1 . 2]" 1
319 1 42 GLY HA3 1 43 SER H 4.660 . 4.660 3.170 2.956 3.364 . 0 0 "[ . 1 . 2]" 1
320 1 41 PRO HA 1 43 SER H 5.220 . 5.220 3.395 3.231 3.638 . 0 0 "[ . 1 . 2]" 1
321 1 40 ARG QG 1 43 SER H . . 5.550 5.189 3.788 6.121 0.571 15 1 "[ . 1 + 2]" 1
322 1 43 SER HA 1 44 SER QB 5.300 . 5.300 4.382 3.939 4.872 . 0 0 "[ . 1 . 2]" 1
323 1 43 SER H 1 44 SER H 5.920 . 5.920 4.440 4.313 4.595 . 0 0 "[ . 1 . 2]" 1
324 1 43 SER HB3 1 44 SER H 5.260 . 5.260 3.282 2.067 4.200 . 0 0 "[ . 1 . 2]" 1
325 1 43 SER HA 1 44 SER H 4.940 . 4.940 2.360 2.153 2.598 . 0 0 "[ . 1 . 2]" 1
326 1 44 SER HA 1 45 PRO HD2 . . 4.600 3.149 2.316 3.438 . 0 0 "[ . 1 . 2]" 1
327 1 45 PRO HA 1 46 THR H 5.830 . 5.830 2.263 2.172 2.321 . 0 0 "[ . 1 . 2]" 1
328 1 46 THR HB 1 47 THR H 5.710 . 5.710 3.809 2.761 4.338 . 0 0 "[ . 1 . 2]" 1
329 1 46 THR HA 1 47 THR H 5.700 . 5.700 2.165 2.132 2.259 . 0 0 "[ . 1 . 2]" 1
330 1 47 THR HB 1 59 VAL QG 5.290 . 5.290 5.351 3.946 7.233 1.943 16 4 "[ -** 1 .+ 2]" 1
331 1 37 TYR HA 1 48 VAL H 5.220 . 5.220 2.391 1.760 2.685 0.040 20 0 "[ . 1 . 2]" 1
332 1 48 VAL H 1 49 ILE H . . 4.740 2.492 2.480 2.515 . 0 0 "[ . 1 . 2]" 1
333 1 46 THR HB 1 48 VAL H 4.870 . 4.870 5.859 5.307 6.937 2.067 13 19 "[********-***+ ******]" 1
334 1 38 GLN H 1 48 VAL H 5.550 . 5.550 4.038 3.702 4.297 . 0 0 "[ . 1 . 2]" 1
335 1 37 TYR HB2 1 48 VAL H 5.560 . 5.560 4.935 3.470 5.467 . 0 0 "[ . 1 . 2]" 1
336 1 48 VAL H 1 50 TYR QD 5.420 . 5.420 6.397 5.516 7.997 2.577 19 14 "[*** . ****-* *.** +*]" 1
337 1 48 VAL HA 1 55 ARG HB2 5.300 . 5.300 5.293 4.602 6.244 0.944 16 2 "[ . 1 -.+ 2]" 1
338 1 48 VAL QG 1 49 ILE HB 5.410 . 5.410 3.779 2.752 4.110 . 0 0 "[ . 1 . 2]" 1
339 1 48 VAL QG 1 55 ARG HB3 5.160 . 5.160 4.661 4.167 5.299 0.139 14 0 "[ . 1 . 2]" 1
340 1 38 GLN HA 1 48 VAL QG . . 4.790 3.566 3.310 3.905 . 0 0 "[ . 1 . 2]" 1
341 1 37 TYR HB2 1 48 VAL QG 5.360 . 5.360 4.572 3.809 5.060 . 0 0 "[ . 1 . 2]" 1
342 1 38 GLN QG 1 48 VAL QG 5.010 . 5.010 2.426 2.019 3.720 . 0 0 "[ . 1 . 2]" 1
343 1 48 VAL QG 1 49 ILE QG 5.190 . 5.190 2.372 2.089 2.884 . 0 0 "[ . 1 . 2]" 1
344 1 36 TRP HZ3 1 48 VAL QG 5.350 . 5.350 5.886 5.562 6.353 1.003 1 12 "[+** .** -1*** . * **]" 1
345 1 49 ILE H 1 63 PHE HB2 5.420 . 5.420 5.719 5.488 6.070 0.650 5 3 "[ * +- 1 . 2]" 1
346 1 49 ILE H 1 49 ILE MG 4.670 . 4.670 3.782 3.606 3.943 . 0 0 "[ . 1 . 2]" 1
347 1 49 ILE H 1 49 ILE MD 4.950 . 4.950 4.364 4.242 4.494 . 0 0 "[ . 1 . 2]" 1
348 1 47 THR HA 1 49 ILE H 5.000 . 5.000 4.017 3.869 4.185 . 0 0 "[ . 1 . 2]" 1
349 1 37 TYR HA 1 49 ILE H 5.360 . 5.360 4.526 4.028 4.799 . 0 0 "[ . 1 . 2]" 1
350 1 48 VAL HB 1 49 ILE H 5.130 . 5.130 2.523 2.413 2.656 . 0 0 "[ . 1 . 2]" 1
351 1 35 GLN HA 1 49 ILE H 5.630 . 5.630 4.746 4.496 4.958 . 0 0 "[ . 1 . 2]" 1
352 1 49 ILE H 1 50 TYR H 5.540 . 5.540 4.402 4.379 4.419 . 0 0 "[ . 1 . 2]" 1
353 1 48 VAL HA 1 49 ILE H 5.270 . 5.270 3.567 3.538 3.599 . 0 0 "[ . 1 . 2]" 1
354 1 36 TRP HD1 1 49 ILE H 5.480 . 5.480 3.944 3.376 4.148 . 0 0 "[ . 1 . 2]" 1
355 1 50 TYR H 1 52 ASP H 5.410 . 5.410 3.728 3.596 3.911 . 0 0 "[ . 1 . 2]" 1
356 1 50 TYR H 1 50 TYR HD1 5.300 . 5.300 4.655 2.970 5.300 . 0 0 "[ . 1 . 2]" 1
357 1 49 ILE MD 1 50 TYR H 4.950 . 4.950 4.144 4.063 4.214 . 0 0 "[ . 1 . 2]" 1
358 1 49 ILE HB 1 50 TYR H 5.240 . 5.240 3.627 3.337 3.834 . 0 0 "[ . 1 . 2]" 1
359 1 35 GLN HA 1 50 TYR H 5.750 . 5.750 4.841 4.665 5.043 . 0 0 "[ . 1 . 2]" 1
360 1 50 TYR H 1 54 GLN H . . 5.340 3.281 3.063 3.542 . 0 0 "[ . 1 . 2]" 1
361 1 49 ILE QG 1 50 TYR H 5.500 . 5.500 3.586 3.129 3.916 . 0 0 "[ . 1 . 2]" 1
362 1 49 ILE HA 1 50 TYR H 4.680 . 4.680 2.445 2.341 2.535 . 0 0 "[ . 1 . 2]" 1
363 1 50 TYR HA 1 56 PRO QD 5.460 . 5.460 4.990 4.510 5.748 0.288 16 0 "[ . 1 . 2]" 1
364 1 50 TYR QB 1 51 GLU HB2 4.730 . 4.730 3.644 3.034 4.275 . 0 0 "[ . 1 . 2]" 1
365 1 50 TYR QB 1 51 GLU QG 5.220 . 5.220 4.064 2.735 5.746 0.526 3 2 "[ + . 1 . -2]" 1
366 1 49 ILE MG 1 51 GLU H 5.520 . 5.520 4.167 3.433 4.538 . 0 0 "[ . 1 . 2]" 1
367 1 35 GLN QG 1 51 GLU H 5.620 . 5.620 2.244 1.794 3.003 0.006 14 0 "[ . 1 . 2]" 1
368 1 33 TYR QD 1 51 GLU H 5.730 . 5.730 5.707 5.049 6.259 0.529 3 1 "[ + . 1 . 2]" 1
369 1 50 TYR HD1 1 51 GLU H 5.640 . 5.640 3.528 2.031 5.551 . 0 0 "[ . 1 . 2]" 1
370 1 35 GLN HA 1 51 GLU H 5.810 . 5.810 3.495 2.641 4.192 . 0 0 "[ . 1 . 2]" 1
371 1 50 TYR HA 1 51 GLU H 5.380 . 5.380 2.196 2.073 2.310 . 0 0 "[ . 1 . 2]" 1
372 1 51 GLU H 1 52 ASP H 5.610 . 5.610 2.718 2.291 2.930 . 0 0 "[ . 1 . 2]" 1
373 1 50 TYR QB 1 51 GLU H 5.790 . 5.790 3.354 2.942 3.778 . 0 0 "[ . 1 . 2]" 1
374 1 52 ASP HA 1 65 GLY QA 4.550 . 4.550 2.920 2.501 3.301 . 0 0 "[ . 1 . 2]" 1
375 1 52 ASP QB 1 53 ASN HD21 5.670 . 5.670 4.016 3.060 4.946 . 0 0 "[ . 1 . 2]" 1
376 1 49 ILE MD 1 53 ASN H 5.410 . 5.410 5.059 4.757 5.480 0.070 5 0 "[ . 1 . 2]" 1
377 1 49 ILE MG 1 53 ASN H 4.840 . 4.840 3.088 2.764 3.429 . 0 0 "[ . 1 . 2]" 1
378 1 52 ASP QB 1 53 ASN H 4.800 . 4.800 3.780 3.658 3.965 . 0 0 "[ . 1 . 2]" 1
379 1 49 ILE QG 1 53 ASN H . . 5.120 5.955 5.240 6.444 1.324 5 14 "[** *+** ** * *-* **]" 1
380 1 53 ASN H 1 54 GLN HG2 5.100 . 5.100 4.418 4.249 4.651 . 0 0 "[ . 1 . 2]" 1
381 1 51 GLU HB2 1 53 ASN H 5.430 . 5.430 3.455 2.742 4.425 . 0 0 "[ . 1 . 2]" 1
382 1 53 ASN H 1 54 GLN HG3 5.130 . 5.130 4.245 3.859 4.657 . 0 0 "[ . 1 . 2]" 1
383 1 51 GLU HA 1 53 ASN H 5.590 . 5.590 4.147 4.050 4.275 . 0 0 "[ . 1 . 2]" 1
384 1 52 ASP HA 1 53 ASN H 5.220 . 5.220 3.049 3.001 3.089 . 0 0 "[ . 1 . 2]" 1
385 1 53 ASN H 1 53 ASN HD22 5.610 . 5.610 4.368 2.774 5.076 . 0 0 "[ . 1 . 2]" 1
386 1 53 ASN HA 1 65 GLY QA 5.320 . 5.320 5.016 4.180 6.091 0.771 1 1 "[+ . 1 . 2]" 1
387 1 52 ASP QB 1 53 ASN HA 5.450 . 5.450 4.401 4.222 4.689 . 0 0 "[ . 1 . 2]" 1
388 1 54 GLN H 1 54 GLN HE21 5.610 . 5.610 5.030 4.666 5.176 . 0 0 "[ . 1 . 2]" 1
389 1 54 GLN HA 1 54 GLN HE21 5.220 . 5.220 4.457 4.121 4.733 . 0 0 "[ . 1 . 2]" 1
390 1 54 GLN HB3 1 54 GLN HE22 5.490 . 5.490 4.221 3.509 4.722 . 0 0 "[ . 1 . 2]" 1
391 1 49 ILE MG 1 54 GLN H 4.760 . 4.760 2.759 2.586 2.972 . 0 0 "[ . 1 . 2]" 1
392 1 49 ILE MD 1 54 GLN H 5.310 . 5.310 4.545 4.430 4.601 . 0 0 "[ . 1 . 2]" 1
393 1 53 ASN HB3 1 54 GLN H 5.680 . 5.680 3.685 3.015 3.989 . 0 0 "[ . 1 . 2]" 1
394 1 49 ILE HA 1 54 GLN H 5.570 . 5.570 5.230 4.971 5.555 . 0 0 "[ . 1 . 2]" 1
395 1 53 ASN HB2 1 54 GLN H 5.810 . 5.810 2.891 2.513 3.940 . 0 0 "[ . 1 . 2]" 1
396 1 54 GLN H 1 54 GLN HG3 5.070 . 5.070 2.712 2.482 2.992 . 0 0 "[ . 1 . 2]" 1
397 1 54 GLN H 1 54 GLN HG2 5.020 . 5.020 3.176 2.723 3.567 . 0 0 "[ . 1 . 2]" 1
398 1 51 GLU HB2 1 54 GLN H 5.550 . 5.550 4.220 3.409 5.102 . 0 0 "[ . 1 . 2]" 1
399 1 54 GLN HA 1 54 GLN HE22 5.510 . 5.510 5.853 5.677 6.014 0.504 15 1 "[ . 1 + 2]" 1
400 1 49 ILE MD 1 55 ARG H 5.400 . 5.400 4.915 4.350 5.610 0.210 14 0 "[ . 1 . 2]" 1
401 1 54 GLN HB2 1 55 ARG H 4.600 . 4.600 2.095 1.794 2.651 0.006 14 0 "[ . 1 . 2]" 1
402 1 54 GLN HB3 1 55 ARG H 4.720 . 4.720 3.354 3.068 3.724 . 0 0 "[ . 1 . 2]" 1
403 1 54 GLN HE21 1 55 ARG H 5.890 . 5.890 3.351 2.745 4.129 . 0 0 "[ . 1 . 2]" 1
404 1 55 ARG H 1 55 ARG HD3 5.860 . 5.860 4.315 3.292 4.896 . 0 0 "[ . 1 . 2]" 1
405 1 54 GLN HG3 1 55 ARG H 5.330 . 5.330 3.923 3.357 4.683 . 0 0 "[ . 1 . 2]" 1
406 1 55 ARG H 1 55 ARG HG2 4.760 . 4.760 1.998 1.815 2.181 . 0 0 "[ . 1 . 2]" 1
407 1 54 GLN HA 1 55 ARG H 4.400 . 4.400 2.590 2.360 2.784 . 0 0 "[ . 1 . 2]" 1
408 1 49 ILE QG 1 55 ARG H 5.050 . 5.050 4.414 3.625 5.163 0.113 20 0 "[ . 1 . 2]" 1
409 1 55 ARG H 1 56 PRO QD 5.440 . 5.440 4.414 4.374 4.466 . 0 0 "[ . 1 . 2]" 1
410 1 55 ARG H 1 55 ARG HD2 5.300 . 5.300 4.380 3.493 4.886 . 0 0 "[ . 1 . 2]" 1
411 1 56 PRO HA 1 57 SER H 4.780 . 4.780 2.348 2.234 2.473 . 0 0 "[ . 1 . 2]" 1
412 1 56 PRO HB2 1 57 SER H 5.280 . 5.280 3.127 2.811 3.525 . 0 0 "[ . 1 . 2]" 1
413 1 56 PRO HB3 1 57 SER H 5.270 . 5.270 3.374 3.203 3.673 . 0 0 "[ . 1 . 2]" 1
414 1 57 SER QB 1 58 GLY HA3 4.690 . 4.690 4.055 3.980 4.129 . 0 0 "[ . 1 . 2]" 1
415 1 55 ARG HG3 1 57 SER HA 5.210 . 5.210 4.568 4.351 4.752 . 0 0 "[ . 1 . 2]" 1
416 1 58 GLY HA2 1 59 VAL H 4.660 . 4.660 3.555 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
417 1 55 ARG HG3 1 59 VAL H 5.000 . 5.000 4.411 3.817 4.520 . 0 0 "[ . 1 . 2]" 1
418 1 59 VAL H 1 60 PRO HD2 4.690 . 4.690 4.828 4.749 4.919 0.229 1 0 "[ . 1 . 2]" 1
419 1 56 PRO HG2 1 59 VAL H 4.970 . 4.970 4.478 4.419 4.516 . 0 0 "[ . 1 . 2]" 1
420 1 55 ARG HB2 1 59 VAL HB 5.210 . 5.210 4.262 3.256 4.577 . 0 0 "[ . 1 . 2]" 1
421 1 59 VAL HA 1 60 PRO HD2 5.250 . 5.250 2.317 2.256 2.494 . 0 0 "[ . 1 . 2]" 1
422 1 59 VAL HA 1 60 PRO HD3 5.070 . 5.070 2.466 2.309 2.574 . 0 0 "[ . 1 . 2]" 1
423 1 48 VAL HA 1 59 VAL QG 5.310 . 5.310 4.621 3.365 5.736 0.426 16 0 "[ . 1 . 2]" 1
424 1 55 ARG HG3 1 59 VAL QG 5.270 . 5.270 2.199 2.050 2.335 . 0 0 "[ . 1 . 2]" 1
425 1 56 PRO HG3 1 59 VAL QG 5.290 . 5.290 3.541 3.282 3.827 . 0 0 "[ . 1 . 2]" 1
426 1 48 VAL QG 1 59 VAL QG 4.880 . 4.880 4.609 3.552 5.417 0.537 16 1 "[ . 1 .+ 2]" 1
427 1 56 PRO QD 1 59 VAL QG . . 5.310 2.778 2.487 2.978 . 0 0 "[ . 1 . 2]" 1
428 1 59 VAL QG 1 60 PRO HA 5.060 . 5.060 4.467 3.895 4.687 . 0 0 "[ . 1 . 2]" 1
429 1 55 ARG HD2 1 59 VAL QG 5.500 . 5.500 3.247 2.277 4.134 . 0 0 "[ . 1 . 2]" 1
430 1 55 ARG HB3 1 59 VAL QG 5.300 . 5.300 3.642 3.159 3.995 . 0 0 "[ . 1 . 2]" 1
431 1 55 ARG HB2 1 59 VAL QG . . 5.130 2.314 2.068 2.602 . 0 0 "[ . 1 . 2]" 1
432 1 56 PRO HG2 1 59 VAL QG 5.310 . 5.310 2.242 2.033 2.495 . 0 0 "[ . 1 . 2]" 1
433 1 55 ARG HD3 1 59 VAL QG 5.350 . 5.350 3.244 2.189 4.396 . 0 0 "[ . 1 . 2]" 1
434 1 60 PRO HB2 1 61 ASP H 4.420 . 4.420 3.125 2.838 3.540 . 0 0 "[ . 1 . 2]" 1
435 1 60 PRO HB3 1 61 ASP H 4.800 . 4.800 3.270 3.029 3.525 . 0 0 "[ . 1 . 2]" 1
436 1 60 PRO HA 1 61 ASP H 4.260 . 4.260 2.355 2.222 2.464 . 0 0 "[ . 1 . 2]" 1
437 1 61 ASP H 1 62 ARG QG 5.020 . 5.020 3.132 2.757 4.102 . 0 0 "[ . 1 . 2]" 1
438 1 61 ASP H 1 62 ARG H 5.090 . 5.090 2.769 2.490 3.593 . 0 0 "[ . 1 . 2]" 1
439 1 61 ASP HA 1 80 GLY QA 5.300 . 5.300 9.248 8.558 10.263 4.963 5 20 [****+**-************] 1
440 1 62 ARG H 1 62 ARG HD3 5.890 . 5.890 4.235 3.507 5.138 . 0 0 "[ . 1 . 2]" 1
441 1 61 ASP QB 1 62 ARG H 5.600 . 5.600 3.550 1.734 4.044 0.066 4 0 "[ . 1 . 2]" 1
442 1 62 ARG H 1 63 PHE H . . 4.910 2.727 2.488 3.829 . 0 0 "[ . 1 . 2]" 1
443 1 60 PRO HB3 1 62 ARG H 5.690 . 5.690 4.166 3.591 6.329 0.639 13 3 "[ - *. 1 + . 2]" 1
444 1 55 ARG HE 1 63 PHE H 5.180 . 5.180 4.742 2.964 5.960 0.780 3 4 "[ + .* 1 * .- 2]" 1
445 1 63 PHE H 1 63 PHE QD 4.740 . 4.740 2.330 1.918 3.031 . 0 0 "[ . 1 . 2]" 1
446 1 59 VAL HB 1 63 PHE H 5.290 . 5.290 7.359 6.706 8.714 3.424 1 20 [+*****************-*] 1
447 1 62 ARG QB 1 63 PHE H 5.500 . 5.500 3.056 1.945 3.918 . 0 0 "[ . 1 . 2]" 1
448 1 63 PHE H 1 64 SER H . . 5.360 4.493 4.436 4.571 . 0 0 "[ . 1 . 2]" 1
449 1 61 ASP H 1 63 PHE H 5.390 . 5.390 4.740 4.502 4.933 . 0 0 "[ . 1 . 2]" 1
450 1 61 ASP QB 1 63 PHE H 5.340 . 5.340 4.427 4.011 4.857 . 0 0 "[ . 1 . 2]" 1
451 1 62 ARG HA 1 63 PHE H 4.730 . 4.730 3.402 3.242 3.590 . 0 0 "[ . 1 . 2]" 1
452 1 49 ILE MD 1 63 PHE H 5.390 . 5.390 4.624 4.200 5.010 . 0 0 "[ . 1 . 2]" 1
453 1 49 ILE MD 1 64 SER H 5.090 . 5.090 3.018 2.735 3.171 . 0 0 "[ . 1 . 2]" 1
454 1 64 SER H 1 76 LEU HA 5.190 . 5.190 4.452 4.273 4.665 . 0 0 "[ . 1 . 2]" 1
455 1 63 PHE HB2 1 64 SER H 5.070 . 5.070 3.438 2.867 3.836 . 0 0 "[ . 1 . 2]" 1
456 1 64 SER H 1 78 ILE HA 5.060 . 5.060 3.208 2.829 3.385 . 0 0 "[ . 1 . 2]" 1
457 1 64 SER H 1 76 LEU HB2 4.810 . 4.810 4.350 4.141 4.418 . 0 0 "[ . 1 . 2]" 1
458 1 64 SER H 1 77 THR MG 4.950 . 4.950 4.863 4.605 5.261 0.311 8 0 "[ . 1 . 2]" 1
459 1 63 PHE HB3 1 64 SER H 4.970 . 4.970 3.179 2.946 3.738 . 0 0 "[ . 1 . 2]" 1
460 1 36 TRP HZ2 1 64 SER H 5.440 . 5.440 7.900 7.410 8.588 3.148 12 20 [*******-***+********] 1
461 1 63 PHE HA 1 64 SER QB 5.160 . 5.160 3.935 3.834 4.035 . 0 0 "[ . 1 . 2]" 1
462 1 64 SER QB 1 77 THR MG 5.430 . 5.430 3.484 3.068 3.767 . 0 0 "[ . 1 . 2]" 1
463 1 49 ILE QG 1 64 SER HA 5.510 . 5.510 3.868 3.661 4.023 . 0 0 "[ . 1 . 2]" 1
464 1 62 ARG QB 1 64 SER QB 5.420 . 5.420 6.459 5.791 6.653 1.233 12 18 "[* *-*******+ *******]" 1
465 1 49 ILE MD 1 65 GLY H 4.690 . 4.690 1.827 1.705 2.366 0.095 1 0 "[ . 1 . 2]" 1
466 1 65 GLY H 1 76 LEU HB2 5.290 . 5.290 4.682 4.520 4.855 . 0 0 "[ . 1 . 2]" 1
467 1 49 ILE MG 1 65 GLY H 4.970 . 4.970 3.006 2.686 3.855 . 0 0 "[ . 1 . 2]" 1
468 1 65 GLY H 1 66 SER H 5.120 . 5.120 4.549 4.418 4.591 . 0 0 "[ . 1 . 2]" 1
469 1 49 ILE QG 1 65 GLY H 5.420 . 5.420 3.899 3.691 4.405 . 0 0 "[ . 1 . 2]" 1
470 1 64 SER HA 1 65 GLY H 4.520 . 4.520 2.186 2.134 2.289 . 0 0 "[ . 1 . 2]" 1
471 1 65 GLY H 1 76 LEU HA 5.160 . 5.160 4.605 4.432 4.672 . 0 0 "[ . 1 . 2]" 1
472 1 65 GLY QA 1 76 LEU HA . . 5.380 2.316 2.276 2.350 . 0 0 "[ . 1 . 2]" 1
473 1 49 ILE MG 1 65 GLY QA 5.270 . 5.270 2.619 2.357 3.014 . 0 0 "[ . 1 . 2]" 1
474 1 66 SER H 1 76 LEU HB2 5.330 . 5.330 3.814 3.644 4.057 . 0 0 "[ . 1 . 2]" 1
475 1 65 GLY QA 1 66 SER H 4.490 . 4.490 2.165 2.134 2.188 . 0 0 "[ . 1 . 2]" 1
476 1 66 SER H 1 76 LEU HA 5.220 . 5.220 2.821 2.618 3.041 . 0 0 "[ . 1 . 2]" 1
477 1 66 SER H 1 75 SER H 4.930 . 4.930 3.300 3.113 3.574 . 0 0 "[ . 1 . 2]" 1
478 1 66 SER H 1 75 SER QB 5.130 . 5.130 4.404 4.257 4.476 . 0 0 "[ . 1 . 2]" 1
479 1 66 SER H 1 77 THR MG 5.330 . 5.330 7.154 6.688 7.319 1.989 9 20 [********+-**********] 1
480 1 66 SER H 1 76 LEU HG 5.300 . 5.300 5.505 5.356 5.835 0.535 8 1 "[ . + 1 . 2]" 1
481 1 49 ILE MD 1 66 SER H 5.560 . 5.560 4.719 4.520 4.989 . 0 0 "[ . 1 . 2]" 1
482 1 66 SER HA 1 67 ILE H 4.790 . 4.790 2.282 2.183 2.436 . 0 0 "[ . 1 . 2]" 1
483 1 67 ILE H 1 68 ASP H . . 5.410 4.411 4.328 4.480 . 0 0 "[ . 1 . 2]" 1
484 1 67 ILE H 1 67 ILE MG 4.640 . 4.640 2.912 2.460 3.209 . 0 0 "[ . 1 . 2]" 1
485 1 66 SER QB 1 67 ILE H 4.490 . 4.490 3.110 2.567 3.539 . 0 0 "[ . 1 . 2]" 1
486 1 30 ALA HA 1 67 ILE QG 5.400 . 5.400 4.249 3.372 4.986 . 0 0 "[ . 1 . 2]" 1
487 1 30 ALA MB 1 67 ILE QG 5.370 . 5.370 3.854 3.155 4.525 . 0 0 "[ . 1 . 2]" 1
488 1 67 ILE QG 1 68 ASP H 4.430 . 4.430 3.469 3.360 3.596 . 0 0 "[ . 1 . 2]" 1
489 1 68 ASP H 1 74 ALA H . . 5.510 4.849 4.643 5.013 . 0 0 "[ . 1 . 2]" 1
490 1 68 ASP H 1 75 SER H 5.060 . 5.060 4.518 4.269 4.613 . 0 0 "[ . 1 . 2]" 1
491 1 67 ILE QG 1 68 ASP H 5.440 . 5.440 3.981 3.682 4.144 . 0 0 "[ . 1 . 2]" 1
492 1 67 ILE HA 1 68 ASP H 4.840 . 4.840 2.186 2.127 2.227 . 0 0 "[ . 1 . 2]" 1
493 1 67 ILE HB 1 68 ASP H 5.140 . 5.140 2.948 2.781 3.169 . 0 0 "[ . 1 . 2]" 1
494 1 68 ASP H 1 74 ALA HA 4.760 . 4.760 2.961 2.701 3.179 . 0 0 "[ . 1 . 2]" 1
495 1 68 ASP H 1 73 SER H . . 5.080 3.423 3.072 3.709 . 0 0 "[ . 1 . 2]" 1
496 1 68 ASP H 1 73 SER QB 5.470 . 5.470 5.307 5.026 5.565 0.095 7 0 "[ . 1 . 2]" 1
497 1 67 ILE HA 1 69 SER H 5.700 . 5.700 5.216 4.982 5.549 . 0 0 "[ . 1 . 2]" 1
498 1 68 ASP HA 1 69 SER H 5.480 . 5.480 2.313 2.221 2.397 . 0 0 "[ . 1 . 2]" 1
499 1 70 SER HB3 1 71 SER HB2 5.400 . 5.400 4.855 4.673 5.042 . 0 0 "[ . 1 . 2]" 1
500 1 71 SER H 1 72 ASN H 4.490 . 4.490 2.440 2.335 2.650 . 0 0 "[ . 1 . 2]" 1
501 1 70 SER HA 1 71 SER H 4.980 . 4.980 3.569 3.562 3.578 . 0 0 "[ . 1 . 2]" 1
502 1 68 ASP HB3 1 71 SER H 5.150 . 5.150 2.304 1.893 2.768 . 0 0 "[ . 1 . 2]" 1
503 1 68 ASP HB2 1 71 SER H 5.350 . 5.350 3.359 3.067 3.630 . 0 0 "[ . 1 . 2]" 1
504 1 71 SER HA 1 72 ASN QB 5.190 . 5.190 3.962 3.914 4.031 . 0 0 "[ . 1 . 2]" 1
505 1 29 ILE MG 1 72 ASN QD 5.290 . 5.290 3.480 2.638 4.179 . 0 0 "[ . 1 . 2]" 1
506 1 28 SER HA 1 72 ASN QD . . 4.880 2.569 1.911 3.267 . 0 0 "[ . 1 . 2]" 1
507 1 29 ILE MD 1 72 ASN QD 5.310 . 5.310 4.159 2.884 5.342 0.032 20 0 "[ . 1 . 2]" 1
508 1 29 ILE MG 1 72 ASN H 4.780 . 4.780 5.820 5.427 6.136 1.356 10 20 [***-*****+**********] 1
509 1 70 SER HA 1 72 ASN H 5.010 . 5.010 3.926 3.636 4.153 . 0 0 "[ . 1 . 2]" 1
510 1 71 SER HB3 1 72 ASN H 4.760 . 4.760 3.395 3.246 3.648 . 0 0 "[ . 1 . 2]" 1
511 1 71 SER HA 1 72 ASN H 5.060 . 5.060 3.331 3.212 3.433 . 0 0 "[ . 1 . 2]" 1
512 1 67 ILE QG 1 72 ASN QD 5.490 . 5.490 9.037 7.941 10.044 4.554 20 20 [**********-********+] 1
513 1 23 THR HA 1 72 ASN QD 5.300 . 5.300 4.462 4.109 5.698 0.398 20 0 "[ . 1 . 2]" 1
514 1 29 ILE MG 1 72 ASN HA 5.260 . 5.260 4.288 3.891 4.704 . 0 0 "[ . 1 . 2]" 1
515 1 68 ASP HB2 1 72 ASN HA 5.320 . 5.320 4.810 4.386 5.377 0.057 15 0 "[ . 1 . 2]" 1
516 1 29 ILE HB 1 72 ASN HA 5.030 . 5.030 5.640 5.137 6.303 1.273 14 9 "[ **. **-* *+. * 2]" 1
517 1 72 ASN QB 1 73 SER QB 5.500 . 5.500 4.055 3.945 4.209 . 0 0 "[ . 1 . 2]" 1
518 1 71 SER HB3 1 72 ASN QB 5.110 . 5.110 4.897 4.797 5.086 . 0 0 "[ . 1 . 2]" 1
519 1 29 ILE MG 1 73 SER H 4.470 . 4.470 4.197 3.635 4.497 0.027 5 0 "[ . 1 . 2]" 1
520 1 67 ILE QG 1 73 SER H 5.290 . 5.290 6.855 6.183 7.224 1.934 7 20 [******+***-*********] 1
521 1 68 ASP HB2 1 73 SER H 4.940 . 4.940 2.406 2.135 2.964 . 0 0 "[ . 1 . 2]" 1
522 1 71 SER HB3 1 73 SER H 4.930 . 4.930 2.987 2.771 3.246 . 0 0 "[ . 1 . 2]" 1
523 1 72 ASN QB 1 73 SER H 4.820 . 4.820 3.879 3.810 3.952 . 0 0 "[ . 1 . 2]" 1
524 1 71 SER H 1 73 SER H 4.950 . 4.950 3.951 3.812 4.075 . 0 0 "[ . 1 . 2]" 1
525 1 72 ASN HA 1 73 SER H 4.490 . 4.490 2.858 2.763 2.941 . 0 0 "[ . 1 . 2]" 1
526 1 73 SER H 1 74 ALA H 5.110 . 5.110 4.365 4.277 4.411 . 0 0 "[ . 1 . 2]" 1
527 1 68 ASP HA 1 73 SER H 5.330 . 5.330 4.774 4.562 4.913 . 0 0 "[ . 1 . 2]" 1
528 1 73 SER HA 1 74 ALA HA 5.190 . 5.190 4.409 4.381 4.445 . 0 0 "[ . 1 . 2]" 1
529 1 22 CYS QB 1 73 SER HA 4.980 . 4.980 5.073 4.628 5.437 0.457 6 0 "[ . 1 . 2]" 1
530 1 71 SER HA 1 73 SER QB 5.190 . 5.190 5.017 4.624 5.479 0.289 1 0 "[ . 1 . 2]" 1
531 1 29 ILE MD 1 74 ALA H 4.760 . 4.760 4.461 3.660 5.135 0.375 15 0 "[ . 1 . 2]" 1
532 1 4 LEU MD2 1 74 ALA H 5.550 . 5.550 5.123 4.609 5.887 0.337 17 0 "[ . 1 . 2]" 1
533 1 23 THR HA 1 74 ALA H 5.010 . 5.010 3.236 2.728 3.570 . 0 0 "[ . 1 . 2]" 1
534 1 73 SER QB 1 74 ALA H 4.600 . 4.600 2.776 2.430 3.171 . 0 0 "[ . 1 . 2]" 1
535 1 73 SER HA 1 74 ALA H 4.620 . 4.620 2.318 2.200 2.394 . 0 0 "[ . 1 . 2]" 1
536 1 22 CYS QB 1 74 ALA H 5.280 . 5.280 3.486 3.094 3.806 . 0 0 "[ . 1 . 2]" 1
537 1 22 CYS HA 1 74 ALA H 5.590 . 5.590 4.765 4.513 4.991 . 0 0 "[ . 1 . 2]" 1
538 1 67 ILE QG 1 74 ALA H 5.380 . 5.380 7.665 7.414 7.809 2.429 12 20 [***********+****-***] 1
539 1 34 VAL HB 1 74 ALA MB 5.320 . 5.320 3.807 3.479 4.220 . 0 0 "[ . 1 . 2]" 1
540 1 67 ILE MD 1 74 ALA MB 4.640 . 4.640 5.036 4.590 5.414 0.774 11 6 "[- . * 1+* ** 2]" 1
541 1 22 CYS QB 1 74 ALA MB 5.320 . 5.320 2.549 2.256 2.917 . 0 0 "[ . 1 . 2]" 1
542 1 29 ILE MD 1 74 ALA MB 4.590 . 4.590 3.787 3.399 4.513 . 0 0 "[ . 1 . 2]" 1
543 1 29 ILE QG 1 74 ALA MB 5.210 . 5.210 3.056 2.282 3.569 . 0 0 "[ . 1 . 2]" 1
544 1 34 VAL HA 1 74 ALA MB 5.390 . 5.390 5.767 5.332 6.247 0.857 17 7 "[ * .*- ** .*+ 2]" 1
545 1 67 ILE MD 1 75 SER H 4.830 . 4.830 6.139 5.047 6.708 1.878 8 14 "[*- ** *+ * * ***** *]" 1
546 1 74 ALA HA 1 75 SER H 4.560 . 4.560 2.217 2.103 2.285 . 0 0 "[ . 1 . 2]" 1
547 1 74 ALA H 1 75 SER H 5.760 . 5.760 4.499 4.284 4.566 . 0 0 "[ . 1 . 2]" 1
548 1 66 SER QB 1 75 SER H 5.290 . 5.290 3.573 3.015 4.248 . 0 0 "[ . 1 . 2]" 1
549 1 67 ILE HA 1 75 SER H 5.230 . 5.230 3.249 3.150 3.423 . 0 0 "[ . 1 . 2]" 1
550 1 75 SER H 1 76 LEU H . . 5.490 4.266 4.072 4.400 . 0 0 "[ . 1 . 2]" 1
551 1 75 SER H 1 76 LEU QD 5.770 . 5.770 6.003 5.821 6.168 0.398 10 0 "[ . 1 . 2]" 1
552 1 66 SER QB 1 76 LEU H 5.600 . 5.600 5.115 4.701 5.825 0.225 16 0 "[ . 1 . 2]" 1
553 1 76 LEU H 1 76 LEU HG 5.390 . 5.390 4.389 4.211 4.430 . 0 0 "[ . 1 . 2]" 1
554 1 76 LEU H 1 77 THR H . . 5.540 4.442 4.347 4.515 . 0 0 "[ . 1 . 2]" 1
555 1 21 SER HA 1 76 LEU H 5.240 . 5.240 3.876 3.614 4.216 . 0 0 "[ . 1 . 2]" 1
556 1 19 THR MG 1 76 LEU H 5.110 . 5.110 3.561 2.968 4.398 . 0 0 "[ . 1 . 2]" 1
557 1 75 SER HA 1 76 LEU H 4.750 . 4.750 2.162 2.106 2.215 . 0 0 "[ . 1 . 2]" 1
558 1 75 SER QB 1 76 LEU H 4.870 . 4.870 3.123 2.885 3.350 . 0 0 "[ . 1 . 2]" 1
559 1 19 THR HA 1 76 LEU H 5.550 . 5.550 4.288 4.143 4.523 . 0 0 "[ . 1 . 2]" 1
560 1 20 ILE HB 1 76 LEU H 5.410 . 5.410 3.355 3.082 3.712 . 0 0 "[ . 1 . 2]" 1
561 1 20 ILE MG 1 76 LEU H 5.690 . 5.690 4.270 3.940 4.569 . 0 0 "[ . 1 . 2]" 1
562 1 64 SER H 1 77 THR H 4.900 . 4.900 3.246 2.898 3.555 . 0 0 "[ . 1 . 2]" 1
563 1 64 SER HA 1 77 THR H 5.300 . 5.300 4.485 4.328 4.575 . 0 0 "[ . 1 . 2]" 1
564 1 65 GLY QA 1 77 THR H 5.190 . 5.190 3.599 3.459 3.678 . 0 0 "[ . 1 . 2]" 1
565 1 76 LEU HA 1 77 THR H 4.460 . 4.460 2.177 2.146 2.239 . 0 0 "[ . 1 . 2]" 1
566 1 66 SER H 1 77 THR H 5.160 . 5.160 4.501 4.275 4.663 . 0 0 "[ . 1 . 2]" 1
567 1 77 THR H 1 77 THR MG 4.710 . 4.710 3.821 3.734 3.866 . 0 0 "[ . 1 . 2]" 1
568 1 76 LEU HB3 1 77 THR H 5.100 . 5.100 4.372 4.205 4.478 . 0 0 "[ . 1 . 2]" 1
569 1 76 LEU HB2 1 77 THR H 4.550 . 4.550 3.737 3.612 3.882 . 0 0 "[ . 1 . 2]" 1
570 1 18 VAL HA 1 78 ILE H 5.410 . 5.410 4.920 4.766 4.993 . 0 0 "[ . 1 . 2]" 1
571 1 78 ILE H 1 79 SER HA 5.240 . 5.240 5.117 5.057 5.280 0.040 14 0 "[ . 1 . 2]" 1
572 1 17 THR HA 1 78 ILE H 5.720 . 5.720 4.984 4.612 5.259 . 0 0 "[ . 1 . 2]" 1
573 1 78 ILE H 1 79 SER H 5.170 . 5.170 4.478 4.375 4.567 . 0 0 "[ . 1 . 2]" 1
574 1 19 THR HA 1 78 ILE H 5.010 . 5.010 3.514 3.147 3.666 . 0 0 "[ . 1 . 2]" 1
575 1 77 THR HA 1 78 ILE H 4.510 . 4.510 2.145 2.125 2.174 . 0 0 "[ . 1 . 2]" 1
576 1 76 LEU HG 1 78 ILE H 5.000 . 5.000 4.172 3.830 4.378 . 0 0 "[ . 1 . 2]" 1
577 1 78 ILE H 1 78 ILE QG 4.470 . 4.470 3.176 2.551 3.317 . 0 0 "[ . 1 . 2]" 1
578 1 77 THR H 1 78 ILE H 5.520 . 5.520 4.314 4.040 4.413 . 0 0 "[ . 1 . 2]" 1
579 1 77 THR HB 1 78 ILE H 5.190 . 5.190 4.259 4.048 4.388 . 0 0 "[ . 1 . 2]" 1
580 1 76 LEU QD 1 78 ILE H 5.480 . 5.480 2.810 2.393 3.210 . 0 0 "[ . 1 . 2]" 1
581 1 20 ILE MD 1 78 ILE H 5.750 . 5.750 5.829 4.797 6.259 0.509 8 1 "[ . + 1 . 2]" 1
582 1 61 ASP QB 1 79 SER H 5.940 . 5.940 6.460 5.817 7.064 1.124 14 10 "[* ** * **+. **-]" 1
583 1 61 ASP HA 1 79 SER H 5.120 . 5.120 7.043 6.622 7.619 2.499 13 20 [******-*****+*******] 1
584 1 78 ILE HA 1 79 SER H 4.490 . 4.490 2.174 2.084 2.237 . 0 0 "[ . 1 . 2]" 1
585 1 78 ILE HB 1 79 SER H 5.090 . 5.090 4.296 4.015 4.443 . 0 0 "[ . 1 . 2]" 1
586 1 78 ILE QG 1 79 SER H 4.850 . 4.850 3.662 3.437 3.931 . 0 0 "[ . 1 . 2]" 1
587 1 62 ARG QB 1 79 SER H 5.210 . 5.210 3.607 3.048 4.343 . 0 0 "[ . 1 . 2]" 1
588 1 17 THR MG 1 79 SER QB 5.310 . 5.310 3.287 2.279 3.968 . 0 0 "[ . 1 . 2]" 1
589 1 79 SER HA 1 81 LEU QD 5.360 . 5.360 4.664 3.227 5.918 0.558 8 1 "[ . + 1 . 2]" 1
590 1 17 THR MG 1 79 SER HA 5.090 . 5.090 2.152 2.045 2.266 . 0 0 "[ . 1 . 2]" 1
591 1 17 THR HA 1 79 SER HA 5.350 . 5.350 3.408 2.758 4.034 . 0 0 "[ . 1 . 2]" 1
592 1 17 THR HA 1 79 SER QB 4.830 . 4.830 5.224 4.343 5.714 0.884 18 11 "[*- *.*** * ** * + 2]" 1
593 1 81 LEU H 1 81 LEU MD2 4.870 . 4.870 2.370 1.565 4.133 0.235 12 0 "[ . 1 . 2]" 1
594 1 15 GLY HA2 1 81 LEU H 5.660 . 5.660 4.748 3.296 5.178 . 0 0 "[ . 1 . 2]" 1
595 1 16 LYS H 1 81 LEU H 5.260 . 5.260 4.623 4.254 4.793 . 0 0 "[ . 1 . 2]" 1
596 1 80 GLY QA 1 81 LEU H . . 4.820 2.475 2.320 2.717 . 0 0 "[ . 1 . 2]" 1
597 1 79 SER HA 1 81 LEU H 5.760 . 5.760 4.389 3.677 4.830 . 0 0 "[ . 1 . 2]" 1
598 1 81 LEU H 1 82 LYS H 5.360 . 5.360 4.604 4.535 4.638 . 0 0 "[ . 1 . 2]" 1
599 1 14 PRO HA 1 81 LEU H 5.400 . 5.400 4.558 4.071 4.921 . 0 0 "[ . 1 . 2]" 1
600 1 81 LEU MD2 1 82 LYS H 5.240 . 5.240 4.662 3.914 5.229 . 0 0 "[ . 1 . 2]" 1
601 1 82 LYS H 1 84 GLU H 5.580 . 5.580 4.565 4.182 5.013 . 0 0 "[ . 1 . 2]" 1
602 1 81 LEU QB 1 82 LYS H 5.180 . 5.180 2.846 2.438 3.752 . 0 0 "[ . 1 . 2]" 1
603 1 82 LYS H 1 85 ASP H 5.890 . 5.890 3.712 3.577 3.950 . 0 0 "[ . 1 . 2]" 1
604 1 82 LYS H 1 85 ASP QB 5.940 . 5.940 2.861 2.213 3.446 . 0 0 "[ . 1 . 2]" 1
605 1 83 THR H 1 110 VAL MG1 5.000 . 5.000 2.989 2.677 3.444 . 0 0 "[ . 1 . 2]" 1
606 1 82 LYS HG2 1 83 THR H 4.800 . 4.800 4.073 3.484 4.597 . 0 0 "[ . 1 . 2]" 1
607 1 82 LYS H 1 83 THR H 5.470 . 5.470 4.407 4.359 4.453 . 0 0 "[ . 1 . 2]" 1
608 1 83 THR H 1 85 ASP H 5.790 . 5.790 4.101 3.903 4.262 . 0 0 "[ . 1 . 2]" 1
609 1 82 LYS QB 1 83 THR H 4.600 . 4.600 2.417 2.165 2.866 . 0 0 "[ . 1 . 2]" 1
610 1 82 LYS HA 1 83 THR H 4.410 . 4.410 2.451 2.285 2.611 . 0 0 "[ . 1 . 2]" 1
611 1 82 LYS QE 1 83 THR H 5.890 . 5.890 4.576 3.821 5.183 . 0 0 "[ . 1 . 2]" 1
612 1 83 THR HA 1 110 VAL MG2 . . 5.100 2.746 2.269 3.340 . 0 0 "[ . 1 . 2]" 1
613 1 83 THR HA 1 110 VAL QG 5.360 . 5.360 2.383 1.965 3.026 . 0 0 "[ . 1 . 2]" 1
614 1 83 THR HA 1 110 VAL HB 5.350 . 5.350 2.342 2.228 2.559 . 0 0 "[ . 1 . 2]" 1
615 1 82 LYS QB 1 84 GLU H 4.860 . 4.860 2.499 2.228 2.681 . 0 0 "[ . 1 . 2]" 1
616 1 84 GLU H 1 84 GLU HB2 4.310 . 4.310 2.513 2.081 3.591 . 0 0 "[ . 1 . 2]" 1
617 1 84 GLU H 1 85 ASP H . . 4.960 2.757 2.634 2.925 . 0 0 "[ . 1 . 2]" 1
618 1 84 GLU H 1 86 GLU H . . 5.250 4.176 4.050 4.366 . 0 0 "[ . 1 . 2]" 1
619 1 82 LYS HA 1 84 GLU H 4.820 . 4.820 4.244 4.000 4.350 . 0 0 "[ . 1 . 2]" 1
620 1 83 THR HA 1 84 GLU H 5.150 . 5.150 3.485 3.459 3.514 . 0 0 "[ . 1 . 2]" 1
621 1 84 GLU H 1 110 VAL MG1 5.420 . 5.420 4.788 4.520 5.146 . 0 0 "[ . 1 . 2]" 1
622 1 85 ASP H 1 110 VAL HB 5.270 . 5.270 4.770 4.463 4.848 . 0 0 "[ . 1 . 2]" 1
623 1 83 THR HA 1 85 ASP H 5.190 . 5.190 3.182 3.066 3.373 . 0 0 "[ . 1 . 2]" 1
624 1 82 LYS HA 1 85 ASP H 5.400 . 5.400 4.756 4.608 4.893 . 0 0 "[ . 1 . 2]" 1
625 1 85 ASP H 1 86 GLU H . . 4.540 2.040 1.872 2.208 . 0 0 "[ . 1 . 2]" 1
626 1 81 LEU HA 1 85 ASP H 4.430 . 4.430 5.773 5.451 6.135 1.705 16 20 [***-***********+****] 1
627 1 84 GLU HB2 1 85 ASP H 4.650 . 4.650 3.732 3.211 4.342 . 0 0 "[ . 1 . 2]" 1
628 1 81 LEU QD 1 85 ASP QB 5.150 . 5.150 3.662 2.270 4.340 . 0 0 "[ . 1 . 2]" 1
629 1 12 GLU QB 1 85 ASP QB 4.900 . 4.900 6.181 5.257 7.115 2.215 14 19 "[ ******-*****+******]" 1
630 1 86 GLU H 1 110 VAL MG2 4.690 . 4.690 2.560 2.195 3.091 . 0 0 "[ . 1 . 2]" 1
631 1 86 GLU H 1 110 VAL HB 5.060 . 5.060 3.632 3.163 3.981 . 0 0 "[ . 1 . 2]" 1
632 1 85 ASP QB 1 86 GLU H . . 5.140 2.974 2.701 3.238 . 0 0 "[ . 1 . 2]" 1
633 1 85 ASP HA 1 86 GLU H 4.920 . 4.920 3.478 3.374 3.555 . 0 0 "[ . 1 . 2]" 1
634 1 83 THR HA 1 86 GLU H 5.180 . 5.180 2.782 2.569 3.183 . 0 0 "[ . 1 . 2]" 1
635 1 86 GLU H 1 108 LEU QB 5.330 . 5.330 5.880 5.318 6.171 0.841 9 13 "[ ****+**-**. ***2]" 1
636 1 86 GLU QG 1 110 VAL MG2 5.370 . 5.370 3.410 2.909 3.943 . 0 0 "[ . 1 . 2]" 1
637 1 86 GLU QG 1 110 VAL QG 5.270 . 5.270 3.344 2.879 3.825 . 0 0 "[ . 1 . 2]" 1
638 1 86 GLU QB 1 110 VAL QG 5.090 . 5.090 2.713 2.390 3.150 . 0 0 "[ . 1 . 2]" 1
639 1 86 GLU HA 1 110 VAL HB 5.230 . 5.230 3.778 3.318 4.151 . 0 0 "[ . 1 . 2]" 1
640 1 86 GLU QG 1 87 ALA HA 5.290 . 5.290 3.656 3.322 4.144 . 0 0 "[ . 1 . 2]" 1
641 1 41 PRO QG 1 86 GLU QG 4.710 . 4.710 5.024 4.067 5.873 1.163 20 6 "[ *-. 1*** . +]" 1
642 1 87 ALA H 1 108 LEU MD1 4.820 . 4.820 5.098 4.731 5.538 0.718 20 5 "[ . 1** . -*+]" 1
643 1 85 ASP HA 1 87 ALA H 5.680 . 5.680 5.033 4.513 5.589 . 0 0 "[ . 1 . 2]" 1
644 1 87 ALA H 1 108 LEU QB . . 5.120 2.879 2.445 2.965 . 0 0 "[ . 1 . 2]" 1
645 1 87 ALA H 1 108 LEU HG 5.310 . 5.310 3.929 3.354 4.779 . 0 0 "[ . 1 . 2]" 1
646 1 86 GLU QB 1 87 ALA H 4.810 . 4.810 3.987 3.845 4.047 . 0 0 "[ . 1 . 2]" 1
647 1 87 ALA H 1 108 LEU H 5.320 . 5.320 3.967 3.442 4.442 . 0 0 "[ . 1 . 2]" 1
648 1 86 GLU HA 1 87 ALA H 4.570 . 4.570 2.235 2.139 2.360 . 0 0 "[ . 1 . 2]" 1
649 1 86 GLU H 1 87 ALA H 5.430 . 5.430 4.254 4.062 4.476 . 0 0 "[ . 1 . 2]" 1
650 1 38 GLN QB 1 87 ALA MB . . 4.900 3.895 3.379 4.191 . 0 0 "[ . 1 . 2]" 1
651 1 38 GLN QG 1 87 ALA MB 5.160 . 5.160 3.893 2.120 4.365 . 0 0 "[ . 1 . 2]" 1
652 1 87 ALA MB 1 108 LEU QB 4.940 . 4.940 4.362 4.049 4.594 . 0 0 "[ . 1 . 2]" 1
653 1 84 GLU HA 1 87 ALA MB 4.770 . 4.770 5.988 5.595 6.378 1.608 14 20 [*******-*****+******] 1
654 1 88 ASP H 1 89 TYR H . . 5.830 4.506 4.291 4.588 . 0 0 "[ . 1 . 2]" 1
655 1 87 ALA HA 1 88 ASP H 5.130 . 5.130 2.682 2.526 2.765 . 0 0 "[ . 1 . 2]" 1
656 1 40 ARG QB 1 88 ASP H 5.770 . 5.770 5.386 4.470 5.868 0.098 17 0 "[ . 1 . 2]" 1
657 1 38 GLN HA 1 89 TYR H 5.910 . 5.910 4.874 4.706 5.155 . 0 0 "[ . 1 . 2]" 1
658 1 88 ASP HA 1 89 TYR H 4.950 . 4.950 2.208 2.088 2.389 . 0 0 "[ . 1 . 2]" 1
659 1 88 ASP HB2 1 89 TYR H 5.580 . 5.580 3.763 3.123 4.336 . 0 0 "[ . 1 . 2]" 1
660 1 89 TYR H 1 106 THR H 5.570 . 5.570 2.956 2.575 3.645 . 0 0 "[ . 1 . 2]" 1
661 1 89 TYR H 1 108 LEU QB 5.690 . 5.690 4.300 3.634 4.756 . 0 0 "[ . 1 . 2]" 1
662 1 88 ASP HB3 1 89 TYR H 5.500 . 5.500 2.967 2.449 3.573 . 0 0 "[ . 1 . 2]" 1
663 1 89 TYR H 1 108 LEU QD 5.740 . 5.740 5.349 4.667 5.878 0.138 16 0 "[ . 1 . 2]" 1
664 1 89 TYR H 1 90 TYR QD 5.200 . 5.200 4.180 3.707 4.864 . 0 0 "[ . 1 . 2]" 1
665 1 37 TYR HA 1 90 TYR H 5.900 . 5.900 4.815 4.478 5.207 . 0 0 "[ . 1 . 2]" 1
666 1 89 TYR HA 1 90 TYR H 5.320 . 5.320 2.235 2.136 2.392 . 0 0 "[ . 1 . 2]" 1
667 1 90 TYR QB 1 91 CYS H . . 5.400 2.824 2.471 3.262 . 0 0 "[ . 1 . 2]" 1
668 1 6 GLN HE21 1 91 CYS H 5.330 . 5.330 4.951 4.412 5.476 0.146 9 0 "[ . 1 . 2]" 1
669 1 90 TYR HA 1 91 CYS H 4.990 . 4.990 2.282 2.202 2.356 . 0 0 "[ . 1 . 2]" 1
670 1 90 TYR QD 1 91 CYS H 5.490 . 5.490 3.454 2.957 3.865 . 0 0 "[ . 1 . 2]" 1
671 1 36 TRP HA 1 91 CYS HA 5.260 . 5.260 2.844 2.355 3.216 . 0 0 "[ . 1 . 2]" 1
672 1 4 LEU MD1 1 92 GLN H 5.110 . 5.110 4.451 3.644 5.330 0.220 5 0 "[ . 1 . 2]" 1
673 1 36 TRP HA 1 92 GLN H 5.540 . 5.540 3.568 3.140 3.852 . 0 0 "[ . 1 . 2]" 1
674 1 91 CYS HB3 1 92 GLN H 5.180 . 5.180 3.144 2.747 4.343 . 0 0 "[ . 1 . 2]" 1
675 1 91 CYS HB2 1 92 GLN H 5.040 . 5.040 4.020 3.159 4.395 . 0 0 "[ . 1 . 2]" 1
676 1 91 CYS HA 1 92 GLN H 5.000 . 5.000 2.283 2.235 2.343 . 0 0 "[ . 1 . 2]" 1
677 1 93 SER H 1 101 VAL H . . 5.280 3.041 2.587 3.386 . 0 0 "[ . 1 . 2]" 1
678 1 93 SER H 1 94 TYR HA 4.860 . 4.860 4.877 4.752 5.042 0.182 5 0 "[ . 1 . 2]" 1
679 1 34 VAL HA 1 93 SER H 5.090 . 5.090 5.030 4.781 5.264 0.174 17 0 "[ . 1 . 2]" 1
680 1 93 SER H 1 102 PHE HA 5.530 . 5.530 3.769 3.365 4.332 . 0 0 "[ . 1 . 2]" 1
681 1 92 GLN HA 1 93 SER H 4.970 . 4.970 2.181 2.109 2.267 . 0 0 "[ . 1 . 2]" 1
682 1 93 SER H 1 101 VAL HB 4.840 . 4.840 3.138 2.531 4.389 . 0 0 "[ . 1 . 2]" 1
683 1 93 SER H 1 101 VAL QG . . 5.110 3.453 1.725 3.847 0.075 13 0 "[ . 1 . 2]" 1
684 1 93 SER H 1 100 VAL MG2 5.160 . 5.160 3.990 3.269 4.393 . 0 0 "[ . 1 . 2]" 1
685 1 4 LEU MD1 1 93 SER H 4.930 . 4.930 3.134 2.536 3.674 . 0 0 "[ . 1 . 2]" 1
686 1 93 SER H 1 94 TYR QD 5.290 . 5.290 4.717 4.307 5.292 0.002 1 0 "[ . 1 . 2]" 1
687 1 4 LEU MD1 1 93 SER HB3 5.380 . 5.380 2.492 2.073 3.168 . 0 0 "[ . 1 . 2]" 1
688 1 4 LEU MD1 1 93 SER HB2 5.360 . 5.360 3.689 3.109 4.289 . 0 0 "[ . 1 . 2]" 1
689 1 4 LEU HG 1 93 SER HB2 5.340 . 5.340 5.235 4.907 5.584 0.244 4 0 "[ . 1 . 2]" 1
690 1 92 GLN HA 1 93 SER HB2 5.240 . 5.240 5.631 5.534 5.708 0.468 7 0 "[ . 1 . 2]" 1
691 1 93 SER HB2 1 101 VAL QG . . 4.810 4.370 3.543 4.964 0.154 17 0 "[ . 1 . 2]" 1
692 1 32 ASN HD21 1 94 TYR H 5.650 . 5.650 5.500 4.426 6.000 0.350 17 0 "[ . 1 . 2]" 1
693 1 32 ASN QB 1 94 TYR H 5.050 . 5.050 2.731 2.369 3.009 . 0 0 "[ . 1 . 2]" 1
694 1 93 SER HB2 1 94 TYR H 4.990 . 4.990 2.545 2.356 2.770 . 0 0 "[ . 1 . 2]" 1
695 1 34 VAL HA 1 94 TYR H 5.280 . 5.280 4.204 3.647 4.535 . 0 0 "[ . 1 . 2]" 1
696 1 94 TYR H 1 94 TYR QD 4.860 . 4.860 2.991 2.569 3.333 . 0 0 "[ . 1 . 2]" 1
697 1 94 TYR HA 1 95 ASP QB 4.970 . 4.970 4.261 3.906 4.494 . 0 0 "[ . 1 . 2]" 1
698 1 93 SER HB2 1 94 TYR HA 5.230 . 5.230 4.690 4.488 4.839 . 0 0 "[ . 1 . 2]" 1
699 1 93 SER HB3 1 94 TYR HA 5.310 . 5.310 5.760 5.646 5.820 0.510 15 1 "[ . 1 + 2]" 1
700 1 95 ASP H 1 101 VAL QG 4.810 . 4.810 3.553 2.845 4.061 . 0 0 "[ . 1 . 2]" 1
701 1 95 ASP H 1 98 ASN H 5.180 . 5.180 3.967 3.598 4.296 . 0 0 "[ . 1 . 2]" 1
702 1 95 ASP H 1 98 ASN HA 5.060 . 5.060 4.010 3.469 4.482 . 0 0 "[ . 1 . 2]" 1
703 1 94 TYR HB2 1 95 ASP H 4.880 . 4.880 4.151 3.982 4.289 . 0 0 "[ . 1 . 2]" 1
704 1 94 TYR HB3 1 95 ASP H 4.930 . 4.930 3.005 2.773 3.221 . 0 0 "[ . 1 . 2]" 1
705 1 94 TYR QD 1 95 ASP H 4.950 . 4.950 3.634 3.166 4.039 . 0 0 "[ . 1 . 2]" 1
706 1 95 ASP H 1 99 HIS H 4.730 . 4.730 2.657 2.146 2.964 . 0 0 "[ . 1 . 2]" 1
707 1 95 ASP QB 1 97 SER HB3 4.960 . 4.960 4.310 3.412 5.502 0.542 14 1 "[ . 1 +. 2]" 1
708 1 95 ASP QB 1 101 VAL QG 5.320 . 5.320 3.409 2.451 3.912 . 0 0 "[ . 1 . 2]" 1
709 1 95 ASP QB 1 96 SER H . . 5.690 2.391 1.942 3.492 . 0 0 "[ . 1 . 2]" 1
710 1 95 ASP HA 1 96 SER H 5.610 . 5.610 2.520 2.256 2.727 . 0 0 "[ . 1 . 2]" 1
711 1 96 SER HA 1 97 SER H 5.090 . 5.090 3.464 3.247 3.544 . 0 0 "[ . 1 . 2]" 1
712 1 95 ASP QB 1 97 SER H 5.680 . 5.680 2.586 2.148 3.358 . 0 0 "[ . 1 . 2]" 1
713 1 97 SER HB3 1 98 ASN H 5.370 . 5.370 4.378 4.152 4.590 . 0 0 "[ . 1 . 2]" 1
714 1 95 ASP QB 1 98 ASN H 4.980 . 4.980 3.859 3.506 4.672 . 0 0 "[ . 1 . 2]" 1
715 1 94 TYR QD 1 98 ASN H 5.590 . 5.590 4.830 4.076 5.345 . 0 0 "[ . 1 . 2]" 1
716 1 97 SER HA 1 98 ASN H 4.870 . 4.870 3.184 3.005 3.299 . 0 0 "[ . 1 . 2]" 1
717 1 94 TYR HB3 1 98 ASN H 5.430 . 5.430 4.611 4.064 4.939 . 0 0 "[ . 1 . 2]" 1
718 1 98 ASN H 1 99 HIS H 4.850 . 4.850 2.737 2.502 2.914 . 0 0 "[ . 1 . 2]" 1
719 1 95 ASP QB 1 99 HIS H 5.470 . 5.470 3.185 2.479 4.494 . 0 0 "[ . 1 . 2]" 1
720 1 94 TYR QD 1 99 HIS H 5.380 . 5.380 3.668 2.812 4.225 . 0 0 "[ . 1 . 2]" 1
721 1 98 ASN HB2 1 99 HIS H 5.390 . 5.390 4.366 4.105 4.598 . 0 0 "[ . 1 . 2]" 1
722 1 95 ASP QB 1 99 HIS HA 5.400 . 5.400 5.419 4.617 6.901 1.501 16 4 "[ * . - 1 *.+ 2]" 1
723 1 99 HIS HA 1 100 VAL HA 5.070 . 5.070 4.362 4.308 4.410 . 0 0 "[ . 1 . 2]" 1
724 1 100 VAL MG2 1 101 VAL HB 5.060 . 5.060 4.640 4.216 5.502 0.442 13 0 "[ . 1 . 2]" 1
725 1 92 GLN QB 1 100 VAL MG2 5.220 . 5.220 2.947 2.524 3.782 . 0 0 "[ . 1 . 2]" 1
726 1 92 GLN QG 1 100 VAL MG2 5.340 . 5.340 3.924 3.449 4.829 . 0 0 "[ . 1 . 2]" 1
727 1 94 TYR QD 1 101 VAL H . . 5.330 4.385 4.009 4.696 . 0 0 "[ . 1 . 2]" 1
728 1 100 VAL HB 1 101 VAL H 5.740 . 5.740 4.165 3.936 4.379 . 0 0 "[ . 1 . 2]" 1
729 1 100 VAL HA 1 101 VAL H 4.740 . 4.740 2.177 2.135 2.256 . 0 0 "[ . 1 . 2]" 1
730 1 94 TYR HA 1 101 VAL H 5.240 . 5.240 3.409 3.129 3.722 . 0 0 "[ . 1 . 2]" 1
731 1 100 VAL MG2 1 101 VAL H 4.930 . 4.930 2.512 1.971 2.931 . 0 0 "[ . 1 . 2]" 1
732 1 4 LEU MD1 1 101 VAL H 5.590 . 5.590 4.978 4.480 5.526 . 0 0 "[ . 1 . 2]" 1
733 1 101 VAL QG 1 102 PHE HB2 4.700 . 4.700 4.486 3.806 5.066 0.366 8 0 "[ . 1 . 2]" 1
734 1 99 HIS HB3 1 101 VAL QG 5.310 . 5.310 3.435 2.680 3.801 . 0 0 "[ . 1 . 2]" 1
735 1 4 LEU MD1 1 103 GLY H 5.150 . 5.150 3.186 2.823 4.010 . 0 0 "[ . 1 . 2]" 1
736 1 92 GLN QG 1 103 GLY H 5.520 . 5.520 4.030 3.584 4.444 . 0 0 "[ . 1 . 2]" 1
737 1 92 GLN HA 1 103 GLY H 5.380 . 5.380 3.727 3.380 4.079 . 0 0 "[ . 1 . 2]" 1
738 1 102 PHE HB2 1 103 GLY H 5.250 . 5.250 3.388 2.710 4.272 . 0 0 "[ . 1 . 2]" 1
739 1 102 PHE HA 1 103 GLY H 4.950 . 4.950 2.241 2.153 2.317 . 0 0 "[ . 1 . 2]" 1
740 1 4 LEU QB 1 103 GLY H 5.300 . 5.300 4.252 3.673 4.613 . 0 0 "[ . 1 . 2]" 1
741 1 103 GLY H 1 105 GLY H 5.320 . 5.320 4.700 4.341 4.839 . 0 0 "[ . 1 . 2]" 1
742 1 91 CYS H 1 103 GLY H 5.530 . 5.530 3.195 2.974 3.545 . 0 0 "[ . 1 . 2]" 1
743 1 102 PHE HB3 1 103 GLY H 5.250 . 5.250 3.405 2.599 4.196 . 0 0 "[ . 1 . 2]" 1
744 1 4 LEU MD1 1 103 GLY HA3 5.520 . 5.520 2.751 2.305 3.744 . 0 0 "[ . 1 . 2]" 1
745 1 6 GLN QB 1 105 GLY H 5.510 . 5.510 3.669 3.392 3.843 . 0 0 "[ . 1 . 2]" 1
746 1 90 TYR QD 1 105 GLY H 5.310 . 5.310 4.814 3.725 5.665 0.355 17 0 "[ . 1 . 2]" 1
747 1 90 TYR QB 1 105 GLY H 5.460 . 5.460 5.714 5.274 6.143 0.683 17 4 "[* . * 1 . + -2]" 1
748 1 6 GLN HE21 1 105 GLY H 5.610 . 5.610 3.611 2.514 4.269 . 0 0 "[ . 1 . 2]" 1
749 1 103 GLY HA2 1 105 GLY H 5.730 . 5.730 4.256 3.996 4.436 . 0 0 "[ . 1 . 2]" 1
750 1 104 GLY HA2 1 105 GLY H 5.100 . 5.100 3.499 3.449 3.541 . 0 0 "[ . 1 . 2]" 1
751 1 6 GLN HG3 1 105 GLY H 5.500 . 5.500 3.171 2.719 3.546 . 0 0 "[ . 1 . 2]" 1
752 1 105 GLY H 1 106 THR H 5.430 . 5.430 4.453 4.285 4.608 . 0 0 "[ . 1 . 2]" 1
753 1 91 CYS H 1 105 GLY H 5.230 . 5.230 4.206 3.760 4.542 . 0 0 "[ . 1 . 2]" 1
754 1 90 TYR HA 1 105 GLY H 5.720 . 5.720 4.190 3.849 4.543 . 0 0 "[ . 1 . 2]" 1
755 1 90 TYR QE 1 105 GLY H 5.340 . 5.340 5.043 3.936 6.018 0.678 2 2 "[ + . 1 . - 2]" 1
756 1 105 GLY HA3 1 106 THR H 5.250 . 5.250 2.627 2.378 2.944 . 0 0 "[ . 1 . 2]" 1
757 1 105 GLY HA2 1 106 THR H 5.230 . 5.230 2.517 2.279 2.793 . 0 0 "[ . 1 . 2]" 1
758 1 105 GLY HA2 1 106 THR HA 5.300 . 5.300 4.544 4.453 4.649 . 0 0 "[ . 1 . 2]" 1
759 1 7 PRO HD2 1 106 THR MG . . 5.060 3.506 2.426 4.544 . 0 0 "[ . 1 . 2]" 1
760 1 10 VAL HB 1 106 THR MG 4.980 . 4.980 3.694 3.396 4.134 . 0 0 "[ . 1 . 2]" 1
761 1 9 SER QB 1 106 THR HA 5.450 . 5.450 5.304 4.592 5.906 0.456 8 0 "[ . 1 . 2]" 1
762 1 106 THR MG 1 107 LYS H 5.080 . 5.080 2.336 2.062 2.731 . 0 0 "[ . 1 . 2]" 1
763 1 9 SER QB 1 107 LYS H 5.320 . 5.320 3.794 3.142 4.419 . 0 0 "[ . 1 . 2]" 1
764 1 9 SER HA 1 107 LYS H 5.050 . 5.050 2.323 1.953 2.679 . 0 0 "[ . 1 . 2]" 1
765 1 106 THR HA 1 107 LYS H 4.910 . 4.910 2.200 2.145 2.286 . 0 0 "[ . 1 . 2]" 1
766 1 9 SER H 1 107 LYS H 5.800 . 5.800 4.444 3.873 4.800 . 0 0 "[ . 1 . 2]" 1
767 1 106 THR HB 1 107 LYS HA . . 4.940 5.057 4.725 5.353 0.413 20 0 "[ . 1 . 2]" 1
768 1 88 ASP HB3 1 107 LYS QB 5.190 . 5.190 4.319 3.762 4.587 . 0 0 "[ . 1 . 2]" 1
769 1 108 LEU H 1 108 LEU MD1 5.060 . 5.060 4.098 3.976 4.224 . 0 0 "[ . 1 . 2]" 1
770 1 107 LYS QB 1 108 LEU H 5.200 . 5.200 3.947 3.801 4.057 . 0 0 "[ . 1 . 2]" 1
771 1 108 LEU H 1 109 THR H 5.520 . 5.520 4.443 4.336 4.516 . 0 0 "[ . 1 . 2]" 1
772 1 107 LYS H 1 108 LEU H 5.690 . 5.690 4.251 3.970 4.507 . 0 0 "[ . 1 . 2]" 1
773 1 88 ASP HA 1 108 LEU H 5.400 . 5.400 2.653 2.324 3.218 . 0 0 "[ . 1 . 2]" 1
774 1 38 GLN QG 1 108 LEU H 5.440 . 5.440 6.484 6.020 6.923 1.483 8 20 [*******+*******-****] 1
775 1 89 TYR QE 1 108 LEU H 5.580 . 5.580 4.927 4.074 6.126 0.546 7 2 "[ . + 1 - . 2]" 1
776 1 108 LEU QB 1 109 THR H 5.480 . 5.480 3.803 3.699 3.878 . 0 0 "[ . 1 . 2]" 1
777 1 108 LEU HA 1 109 THR H 4.480 . 4.480 2.152 2.117 2.206 . 0 0 "[ . 1 . 2]" 1
778 1 109 THR H 1 110 VAL H . . 5.330 4.431 4.313 4.504 . 0 0 "[ . 1 . 2]" 1
779 1 108 LEU MD1 1 109 THR H 4.530 . 4.530 2.528 1.851 3.334 . 0 0 "[ . 1 . 2]" 1
780 1 86 GLU QG 1 109 THR HA 5.230 . 5.230 2.379 2.234 2.708 . 0 0 "[ . 1 . 2]" 1
781 1 108 LEU QB 1 109 THR HA 5.220 . 5.220 4.591 4.419 4.790 . 0 0 "[ . 1 . 2]" 1
782 1 109 THR MG 1 110 VAL H 4.660 . 4.660 2.434 1.976 2.909 . 0 0 "[ . 1 . 2]" 1
783 1 110 VAL H 1 110 VAL MG2 4.600 . 4.600 2.587 2.242 3.001 . 0 0 "[ . 1 . 2]" 1
784 1 86 GLU QG 1 110 VAL H 4.740 . 4.740 2.193 1.755 2.796 0.045 4 0 "[ . 1 . 2]" 1
785 1 109 THR HB 1 110 VAL H 4.930 . 4.930 4.134 3.866 4.391 . 0 0 "[ . 1 . 2]" 1
786 1 109 THR HA 1 110 VAL H 4.450 . 4.450 2.179 2.137 2.277 . 0 0 "[ . 1 . 2]" 1
787 1 86 GLU HA 1 110 VAL H 5.600 . 5.600 3.235 2.779 3.692 . 0 0 "[ . 1 . 2]" 1
788 1 110 VAL H 1 111 LEU H 5.390 . 5.390 4.391 4.133 4.555 . 0 0 "[ . 1 . 2]" 1
789 1 108 LEU HG 1 110 VAL H 5.300 . 5.300 4.588 3.933 5.251 . 0 0 "[ . 1 . 2]" 1
790 1 14 PRO HB3 1 110 VAL MG1 5.230 . 5.230 3.492 2.874 4.038 . 0 0 "[ . 1 . 2]" 1
791 1 14 PRO HD3 1 110 VAL HA 5.490 . 5.490 4.147 3.909 4.435 . 0 0 "[ . 1 . 2]" 1
792 1 14 PRO HA 1 110 VAL MG1 5.260 . 5.260 3.499 2.809 4.136 . 0 0 "[ . 1 . 2]" 1
793 1 86 GLU HA 1 110 VAL MG2 5.280 . 5.280 2.456 2.110 2.932 . 0 0 "[ . 1 . 2]" 1
794 1 14 PRO HD3 1 110 VAL MG1 5.380 . 5.380 2.336 2.084 2.760 . 0 0 "[ . 1 . 2]" 1
795 1 110 VAL HA 1 111 LEU H 4.310 . 4.310 2.159 2.124 2.226 . 0 0 "[ . 1 . 2]" 1
796 1 14 PRO HD3 1 111 LEU H 5.050 . 5.050 2.977 2.540 3.360 . 0 0 "[ . 1 . 2]" 1
797 1 110 VAL HB 1 111 LEU H 5.290 . 5.290 4.111 3.923 4.288 . 0 0 "[ . 1 . 2]" 1
798 1 110 VAL MG1 1 111 LEU H 4.400 . 4.400 2.511 1.948 3.047 . 0 0 "[ . 1 . 2]" 1
799 1 14 PRO HG3 1 111 LEU H 5.620 . 5.620 4.899 4.505 5.138 . 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 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 CYS SG 1 91 CYS SG 2.020 . 2.120 2.037 2.024 2.041 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 253.901
_Distance_constraint_stats_list.Viol_max 0.227
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0668
_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 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.016 0.016 20 0 "[ . 1 . 2]"
1 12 GLU 0.064 0.057 12 0 "[ . 1 . 2]"
1 18 VAL 3.254 0.227 5 0 "[ . 1 . 2]"
1 20 ILE 1.355 0.179 14 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.087 0.047 20 0 "[ . 1 . 2]"
1 36 TRP 2.261 0.177 12 0 "[ . 1 . 2]"
1 37 TYR 0.217 0.073 3 0 "[ . 1 . 2]"
1 38 GLN 0.400 0.098 12 0 "[ . 1 . 2]"
1 39 GLN 0.791 0.168 9 0 "[ . 1 . 2]"
1 46 THR 0.400 0.098 12 0 "[ . 1 . 2]"
1 48 VAL 0.008 0.008 18 0 "[ . 1 . 2]"
1 49 ILE 2.253 0.177 12 0 "[ . 1 . 2]"
1 50 TYR 1.116 0.174 5 0 "[ . 1 . 2]"
1 54 GLN 1.116 0.174 5 0 "[ . 1 . 2]"
1 64 SER 0.431 0.153 8 0 "[ . 1 . 2]"
1 66 SER 0.053 0.044 17 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.053 0.044 17 0 "[ . 1 . 2]"
1 76 LEU 1.355 0.179 14 0 "[ . 1 . 2]"
1 77 THR 0.431 0.153 8 0 "[ . 1 . 2]"
1 78 ILE 3.254 0.227 5 0 "[ . 1 . 2]"
1 87 ALA 2.182 0.212 9 0 "[ . 1 . 2]"
1 88 ASP 0.791 0.168 9 0 "[ . 1 . 2]"
1 89 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.217 0.073 3 0 "[ . 1 . 2]"
1 91 CYS 0.257 0.141 14 0 "[ . 1 . 2]"
1 92 GLN 0.087 0.047 20 0 "[ . 1 . 2]"
1 93 SER 0.210 0.145 13 0 "[ . 1 . 2]"
1 101 VAL 0.210 0.145 13 0 "[ . 1 . 2]"
1 103 GLY 0.257 0.141 14 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 2.182 0.212 9 0 "[ . 1 . 2]"
1 109 THR 0.080 0.057 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 THR O 1 23 THR H 1.800 . 2.300 1.975 1.671 2.257 . 0 0 "[ . 1 . 2]" 3
2 1 5 THR O 1 23 THR N 2.800 2.400 3.300 2.937 2.634 3.218 . 0 0 "[ . 1 . 2]" 3
3 1 10 VAL O 1 109 THR H 1.800 . 2.300 2.051 1.804 2.316 0.016 20 0 "[ . 1 . 2]" 3
4 1 10 VAL O 1 109 THR N 2.800 2.400 3.300 2.979 2.732 3.231 . 0 0 "[ . 1 . 2]" 3
5 1 18 VAL O 1 78 ILE H 1.800 . 2.300 1.990 1.808 2.143 . 0 0 "[ . 1 . 2]" 3
6 1 18 VAL O 1 78 ILE N 2.800 2.400 3.300 2.910 2.778 3.012 . 0 0 "[ . 1 . 2]" 3
7 1 20 ILE O 1 76 LEU H 1.800 . 2.300 2.086 1.915 2.342 0.042 14 0 "[ . 1 . 2]" 3
8 1 20 ILE O 1 76 LEU N 2.800 2.400 3.300 3.013 2.852 3.257 . 0 0 "[ . 1 . 2]" 3
9 1 22 CYS O 1 74 ALA H 1.800 . 2.300 1.710 1.590 1.895 . 0 0 "[ . 1 . 2]" 3
10 1 22 CYS O 1 74 ALA N 2.800 2.400 3.300 2.636 2.494 2.862 . 0 0 "[ . 1 . 2]" 3
11 1 35 GLN O 1 92 GLN H 1.800 . 2.300 2.074 1.670 2.340 0.040 8 0 "[ . 1 . 2]" 3
12 1 35 GLN O 1 92 GLN N 2.800 2.400 3.300 2.930 2.616 3.193 . 0 0 "[ . 1 . 2]" 3
13 1 36 TRP O 1 48 VAL H 1.800 . 2.300 1.964 1.656 2.308 0.008 18 0 "[ . 1 . 2]" 3
14 1 36 TRP O 1 48 VAL N 2.800 2.400 3.300 2.805 2.422 3.153 . 0 0 "[ . 1 . 2]" 3
15 1 37 TYR O 1 90 TYR H 1.800 . 2.300 1.850 1.639 2.258 . 0 0 "[ . 1 . 2]" 3
16 1 37 TYR O 1 90 TYR N 2.800 2.400 3.300 2.758 2.531 3.009 . 0 0 "[ . 1 . 2]" 3
17 1 38 GLN O 1 46 THR H 1.800 . 2.300 2.169 1.825 2.398 0.098 12 0 "[ . 1 . 2]" 3
18 1 38 GLN O 1 46 THR N 2.800 2.400 3.300 3.068 2.726 3.318 0.018 19 0 "[ . 1 . 2]" 3
19 1 39 GLN O 1 88 ASP H 1.800 . 2.300 2.292 2.025 2.468 0.168 9 0 "[ . 1 . 2]" 3
20 1 39 GLN O 1 88 ASP N 2.800 2.400 3.300 3.212 2.995 3.371 0.071 9 0 "[ . 1 . 2]" 3
21 1 36 TRP H 1 49 ILE O 1.800 . 2.300 2.376 2.154 2.477 0.177 12 0 "[ . 1 . 2]" 3
22 1 36 TRP N 1 49 ILE O 2.800 2.400 3.300 3.316 3.132 3.374 0.074 14 0 "[ . 1 . 2]" 3
23 1 50 TYR O 1 54 GLN H 1.800 . 2.300 2.327 2.206 2.474 0.174 5 0 "[ . 1 . 2]" 3
24 1 50 TYR O 1 54 GLN N 2.800 2.400 3.300 3.285 3.181 3.362 0.062 3 0 "[ . 1 . 2]" 3
25 1 50 TYR H 1 54 GLN O 1.800 . 2.300 2.008 1.737 2.311 0.011 16 0 "[ . 1 . 2]" 3
26 1 50 TYR N 1 54 GLN O 2.800 2.400 3.300 2.875 2.583 3.155 . 0 0 "[ . 1 . 2]" 3
27 1 64 SER O 1 77 THR H 1.800 . 2.300 1.789 1.541 2.453 0.153 8 0 "[ . 1 . 2]" 3
28 1 64 SER O 1 77 THR N 2.800 2.400 3.300 2.577 2.473 3.083 . 0 0 "[ . 1 . 2]" 3
29 1 66 SER O 1 75 SER H 1.800 . 2.300 1.909 1.682 2.167 . 0 0 "[ . 1 . 2]" 3
30 1 66 SER O 1 75 SER N 2.800 2.400 3.300 2.837 2.600 3.090 . 0 0 "[ . 1 . 2]" 3
31 1 66 SER H 1 75 SER O 1.800 . 2.300 2.058 1.782 2.344 0.044 17 0 "[ . 1 . 2]" 3
32 1 66 SER N 1 75 SER O 2.800 2.400 3.300 2.699 2.422 2.953 . 0 0 "[ . 1 . 2]" 3
33 1 20 ILE H 1 76 LEU O 1.800 . 2.300 2.345 2.055 2.479 0.179 14 0 "[ . 1 . 2]" 3
34 1 20 ILE N 1 76 LEU O 2.800 2.400 3.300 3.236 2.931 3.347 0.047 16 0 "[ . 1 . 2]" 3
35 1 64 SER H 1 77 THR O 1.800 . 2.300 2.217 1.840 2.395 0.095 1 0 "[ . 1 . 2]" 3
36 1 64 SER N 1 77 THR O 2.800 2.400 3.300 2.708 2.491 2.855 . 0 0 "[ . 1 . 2]" 3
37 1 18 VAL H 1 78 ILE O 1.800 . 2.300 2.420 2.216 2.527 0.227 5 0 "[ . 1 . 2]" 3
38 1 18 VAL N 1 78 ILE O 2.800 2.400 3.300 3.320 3.138 3.386 0.086 19 0 "[ . 1 . 2]" 3
39 1 87 ALA O 1 108 LEU H 1.800 . 2.300 2.215 1.896 2.496 0.196 8 0 "[ . 1 . 2]" 3
40 1 87 ALA O 1 108 LEU N 2.800 2.400 3.300 2.919 2.767 3.066 . 0 0 "[ . 1 . 2]" 3
41 1 39 GLN H 1 88 ASP O 1.800 . 2.300 1.749 1.525 2.162 . 0 0 "[ . 1 . 2]" 3
42 1 39 GLN N 1 88 ASP O 2.800 2.400 3.300 2.690 2.464 3.118 . 0 0 "[ . 1 . 2]" 3
43 1 89 TYR O 1 106 THR H 1.800 . 2.300 1.960 1.668 2.285 . 0 0 "[ . 1 . 2]" 3
44 1 89 TYR O 1 106 THR N 2.800 2.400 3.300 2.845 2.576 3.262 . 0 0 "[ . 1 . 2]" 3
45 1 37 TYR H 1 90 TYR O 1.800 . 2.300 2.075 1.746 2.373 0.073 3 0 "[ . 1 . 2]" 3
46 1 37 TYR N 1 90 TYR O 2.800 2.400 3.300 3.000 2.601 3.338 0.038 20 0 "[ . 1 . 2]" 3
47 1 91 CYS O 1 103 GLY H 1.800 . 2.300 2.213 1.866 2.441 0.141 14 0 "[ . 1 . 2]" 3
48 1 91 CYS O 1 103 GLY N 2.800 2.400 3.300 3.086 2.747 3.302 0.002 17 0 "[ . 1 . 2]" 3
49 1 35 GLN H 1 92 GLN O 1.800 . 2.300 2.032 1.767 2.347 0.047 20 0 "[ . 1 . 2]" 3
50 1 35 GLN N 1 92 GLN O 2.800 2.400 3.300 2.973 2.711 3.202 . 0 0 "[ . 1 . 2]" 3
51 1 93 SER O 1 101 VAL H 1.800 . 2.300 1.868 1.639 2.172 . 0 0 "[ . 1 . 2]" 3
52 1 93 SER O 1 101 VAL N 2.800 2.400 3.300 2.747 2.490 3.090 . 0 0 "[ . 1 . 2]" 3
53 1 93 SER H 1 101 VAL O 1.800 . 2.300 2.135 1.711 2.445 0.145 13 0 "[ . 1 . 2]" 3
54 1 93 SER N 1 101 VAL O 2.800 2.400 3.300 3.039 2.682 3.322 0.022 13 0 "[ . 1 . 2]" 3
55 1 89 TYR H 1 106 THR O 1.800 . 2.300 1.769 1.584 1.965 . 0 0 "[ . 1 . 2]" 3
56 1 89 TYR N 1 106 THR O 2.800 2.400 3.300 2.653 2.514 2.842 . 0 0 "[ . 1 . 2]" 3
57 1 10 VAL H 1 107 LYS O 1.800 . 2.300 1.970 1.618 2.175 . 0 0 "[ . 1 . 2]" 3
58 1 10 VAL N 1 107 LYS O 2.800 2.400 3.300 2.914 2.583 3.072 . 0 0 "[ . 1 . 2]" 3
59 1 87 ALA H 1 108 LEU O 1.800 . 2.300 2.367 2.180 2.512 0.212 9 0 "[ . 1 . 2]" 3
60 1 87 ALA N 1 108 LEU O 2.800 2.400 3.300 3.076 2.858 3.202 . 0 0 "[ . 1 . 2]" 3
61 1 12 GLU H 1 109 THR O 1.800 . 2.300 2.185 1.955 2.357 0.057 12 0 "[ . 1 . 2]" 3
62 1 12 GLU N 1 109 THR O 2.800 2.400 3.300 3.096 2.879 3.285 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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