Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431106 | 2jpk RC | 15261 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jpk
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 459
_Distance_constraint_stats_list.Viol_count 1326
_Distance_constraint_stats_list.Viol_total 10754.481
_Distance_constraint_stats_list.Viol_max 4.916
_Distance_constraint_stats_list.Viol_rms 0.2543
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0586
_Distance_constraint_stats_list.Viol_average_violations_only 0.4055
_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 LYS 11.228 0.732 8 10 "[* - * *+** *. * *]"
1 2 LYS 17.644 0.732 8 10 "[* * * *+** *. * *]"
1 3 TRP 16.190 0.694 9 20 [********+******-****]
1 4 GLY 1.895 0.532 9 2 "[ . -+1 . 2]"
1 5 TRP 33.220 0.694 9 20 [********+**********-]
1 6 LEU 11.159 0.476 4 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 38.663 0.647 4 9 "[ * +. *1 *** *- *]"
1 10 ASP 38.969 1.121 4 18 "[***+**-****** *** **]"
1 11 PRO 34.716 0.862 17 20 [****************+-**]
1 12 ALA 16.644 0.671 1 7 "[+ * * * *1 - . * 2]"
1 13 TYR 27.115 0.969 3 13 "[**+** ***1** . **-2]"
1 14 GLU 78.649 1.593 18 20 [******-**********+**]
1 15 PHE 34.112 0.862 17 20 [****************+*-*]
1 16 ILE 17.373 0.671 1 7 "[+ * * * *1 - . * 2]"
1 17 LYS 24.696 0.969 3 12 "[**+ * ***1** . **-2]"
1 18 GLY 45.344 1.593 18 20 [*************-***+**]
1 19 PHE 16.188 0.699 10 9 "[ * ** * + . **-*]"
1 20 GLY 3.684 3.684 20 1 "[ . 1 . +]"
1 21 LYS 101.431 4.916 11 20 [*****-****+*********]
1 22 GLY 28.715 1.970 3 15 "[*-+** ** 1*** **** *]"
1 23 ALA 7.327 3.684 20 4 "[ *- 1 * . +]"
1 24 ILE 131.250 4.916 11 20 [*****-****+*********]
1 25 LYS 0.111 0.012 11 0 "[ . 1 . 2]"
1 26 GLU 6.531 0.695 12 3 "[ *- 1 + . 2]"
1 27 GLY 8.801 1.001 6 6 "[ -*.+ *1* * . 2]"
1 28 ASN 21.119 1.030 11 10 "[ -*.** *1+** ** 2]"
1 29 LYS 59.934 1.314 19 20 [******************+*]
1 30 ASP 13.886 0.652 2 11 "[*+ .**- * ** ** *]"
1 31 LYS 48.362 0.973 17 20 [****************+*-*]
1 32 TRP 98.735 1.314 19 20 [********-*********+*]
1 33 LYS 17.820 0.919 19 20 [****************-*+*]
1 34 ASN 16.793 1.016 10 4 "[ * . + *- 2]"
1 35 ILE 20.775 1.016 10 4 "[ * . + -* 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 1 LYS HA 1 2 LYS H . . 3.080 2.316 2.139 2.628 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 LYS QD . . 4.290 4.580 3.597 5.022 0.732 8 8 "[ - * +** *. * *]" 1
3 1 1 LYS HA 1 2 LYS QG . . 3.890 4.035 3.589 4.490 0.600 1 2 "[+ . - 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QB . . 2.750 2.444 2.166 2.598 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS QD . . 3.230 3.016 2.104 3.737 0.507 9 2 "[ . -+1 . 2]" 1
6 1 2 LYS H 1 2 LYS QE . . 4.730 4.337 2.402 4.997 0.267 8 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS QG . . 3.830 2.360 1.996 2.981 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 3 TRP H . . 3.500 2.637 2.341 2.770 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS HA 1 2 LYS HG3 . . 4.070 3.317 2.313 4.159 0.089 12 0 "[ . 1 . 2]" 1
10 1 2 LYS HA 1 3 TRP H . . 3.750 3.506 3.465 3.565 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS HA 1 4 GLY H . . 4.980 5.036 4.825 5.512 0.532 9 2 "[ . -+1 . 2]" 1
12 1 2 LYS QB 1 3 TRP H . . 3.390 3.051 2.273 3.589 0.199 20 0 "[ . 1 . 2]" 1
13 1 2 LYS QB 1 4 GLY H . . 4.320 3.467 2.843 4.256 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS QD 1 4 GLY H . . 5.340 4.348 1.862 5.436 0.096 11 0 "[ . 1 . 2]" 1
15 1 2 LYS QG 1 3 TRP H . . 5.340 3.221 2.034 4.419 . 0 0 "[ . 1 . 2]" 1
16 1 3 TRP H 1 3 TRP HB2 . . 3.980 3.432 3.356 3.570 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP H 1 3 TRP HD1 . . 5.500 3.299 2.958 3.678 . 0 0 "[ . 1 . 2]" 1
18 1 3 TRP H 1 3 TRP HE1 . . 5.050 5.047 4.768 5.296 0.246 5 0 "[ . 1 . 2]" 1
19 1 3 TRP H 1 3 TRP HE3 . . 5.500 5.346 4.961 5.495 . 0 0 "[ . 1 . 2]" 1
20 1 3 TRP H 1 4 GLY H . . 3.500 2.867 2.801 3.144 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP H 1 5 TRP HE1 . . 4.810 5.462 5.422 5.504 0.694 9 20 [********+******-****] 1
22 1 3 TRP HA 1 3 TRP HE1 . . 4.770 4.616 4.537 4.760 . 0 0 "[ . 1 . 2]" 1
23 1 3 TRP HA 1 4 GLY H . . 3.150 2.651 2.447 2.678 . 0 0 "[ . 1 . 2]" 1
24 1 3 TRP HA 1 4 GLY QA . . 4.920 4.148 4.051 4.160 . 0 0 "[ . 1 . 2]" 1
25 1 3 TRP HA 1 5 TRP HE1 . . 5.150 5.152 5.151 5.153 0.003 9 0 "[ . 1 . 2]" 1
26 1 3 TRP HA 1 6 LEU H . . 4.790 4.793 4.791 4.802 0.012 9 0 "[ . 1 . 2]" 1
27 1 3 TRP HA 1 7 ALA H . . 6.500 5.888 5.742 6.176 . 0 0 "[ . 1 . 2]" 1
28 1 3 TRP QB 1 3 TRP HE1 . . 4.620 4.562 4.542 4.571 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP HB2 1 4 GLY H . . 4.520 4.387 4.342 4.520 . 0 0 "[ . 1 . 2]" 1
30 1 3 TRP HB3 1 3 TRP HE1 . . 5.500 5.007 4.957 5.030 . 0 0 "[ . 1 . 2]" 1
31 1 3 TRP HB3 1 4 GLY H . . 4.520 4.381 4.262 4.431 . 0 0 "[ . 1 . 2]" 1
32 1 3 TRP HD1 1 4 GLY H . . 4.780 4.684 4.572 4.759 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLY H 1 5 TRP H . . 3.560 2.666 2.380 2.702 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLY H 1 5 TRP HA . . 4.900 4.782 4.567 4.808 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLY H 1 5 TRP HB2 . . 5.200 5.005 4.781 5.031 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLY H 1 5 TRP HD1 . . 4.140 3.831 3.681 3.851 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLY H 1 5 TRP HE1 . . 5.490 4.365 4.092 4.404 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY H 1 6 LEU H . . 5.230 5.186 4.759 5.234 0.004 1 0 "[ . 1 . 2]" 1
39 1 4 GLY H 1 6 LEU QD . . 5.440 5.262 5.059 5.428 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY H 1 7 ALA H . . 5.500 5.396 5.324 5.435 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY QA 1 5 TRP H . . 3.120 2.876 2.873 2.887 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLY QA 1 5 TRP HE1 . . 5.500 5.331 5.240 5.348 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLY QA 1 6 LEU H . . 5.140 4.345 4.127 4.372 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY QA 1 7 ALA H . . 5.140 3.277 3.263 3.294 . 0 0 "[ . 1 . 2]" 1
45 1 5 TRP H 1 5 TRP HA . . 3.000 2.881 2.879 2.883 . 0 0 "[ . 1 . 2]" 1
46 1 5 TRP H 1 5 TRP HB2 . . 3.520 2.567 2.557 2.641 . 0 0 "[ . 1 . 2]" 1
47 1 5 TRP H 1 5 TRP HB3 . . 3.650 3.622 3.620 3.623 . 0 0 "[ . 1 . 2]" 1
48 1 5 TRP H 1 5 TRP HD1 . . 3.260 3.134 3.123 3.178 . 0 0 "[ . 1 . 2]" 1
49 1 5 TRP H 1 5 TRP HE1 . . 4.840 4.722 4.628 4.737 . 0 0 "[ . 1 . 2]" 1
50 1 5 TRP H 1 6 LEU H . . 3.090 2.629 2.514 2.649 . 0 0 "[ . 1 . 2]" 1
51 1 5 TRP H 1 7 ALA H . . 3.700 3.543 3.490 3.695 . 0 0 "[ . 1 . 2]" 1
52 1 5 TRP HA 1 5 TRP HE1 . . 5.090 4.840 4.830 4.924 . 0 0 "[ . 1 . 2]" 1
53 1 5 TRP HA 1 6 LEU H . . 4.110 3.570 3.559 3.572 . 0 0 "[ . 1 . 2]" 1
54 1 5 TRP HA 1 7 ALA H . . 6.000 4.208 4.019 4.322 . 0 0 "[ . 1 . 2]" 1
55 1 5 TRP HA 1 8 TRP H . . 6.000 3.725 3.611 3.858 . 0 0 "[ . 1 . 2]" 1
56 1 5 TRP HA 1 9 VAL H . . 6.500 4.628 4.495 4.782 . 0 0 "[ . 1 . 2]" 1
57 1 5 TRP HB2 1 5 TRP HE1 . . 5.130 5.231 5.228 5.250 0.120 9 0 "[ . 1 . 2]" 1
58 1 5 TRP HB2 1 6 LEU H . . 4.140 2.206 2.182 2.403 . 0 0 "[ . 1 . 2]" 1
59 1 5 TRP HB3 1 5 TRP HE1 . . 5.260 5.059 5.023 5.063 . 0 0 "[ . 1 . 2]" 1
60 1 5 TRP HB3 1 6 LEU H . . 4.010 3.420 3.388 3.671 . 0 0 "[ . 1 . 2]" 1
61 1 5 TRP HE3 1 6 LEU H . . 4.520 4.523 4.522 4.524 0.004 19 0 "[ . 1 . 2]" 1
62 1 5 TRP O 1 9 VAL H . . 1.800 2.283 2.166 2.447 0.647 4 7 "[ - +. *1 ** * *]" 1
63 1 5 TRP O 1 9 VAL N . . 2.700 3.121 3.013 3.248 0.548 4 3 "[ +. 1 * -]" 1
64 1 6 LEU H 1 6 LEU HB2 . . 3.920 3.341 2.503 3.588 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU H 1 6 LEU HB3 . . 3.920 2.861 2.470 3.590 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 6 LEU MD1 . . 4.350 3.390 2.048 3.938 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU MD2 . . 4.350 2.871 2.214 3.998 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 6 LEU HG . . 4.180 2.296 2.007 2.745 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 7 ALA H . . 3.500 2.576 2.505 2.634 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU HA 1 6 LEU HB3 . . 3.080 2.399 2.345 2.465 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HA 1 6 LEU QD . . 3.600 3.339 3.042 3.466 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU HA 1 6 LEU HG . . 3.850 3.387 2.497 3.664 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU HA 1 7 ALA H . . 3.830 3.468 3.463 3.477 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HA 1 8 TRP H . . 4.060 3.936 3.877 3.995 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HA 1 9 VAL H . . 4.300 3.093 3.042 3.137 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 9 VAL HB . . 5.070 2.439 2.372 2.549 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HA 1 9 VAL MG2 . . 3.770 2.676 2.157 3.095 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QB 1 7 ALA H . . 4.260 3.385 2.821 3.588 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU HB3 1 7 ALA H . . 4.910 4.085 3.934 4.181 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU O 1 10 ASP H . . 1.800 2.108 1.962 2.261 0.461 5 0 "[ . 1 . 2]" 1
81 1 6 LEU O 1 10 ASP N . . 2.700 2.941 2.768 3.176 0.476 4 0 "[ . 1 . 2]" 1
82 1 7 ALA H 1 7 ALA MB . . 2.570 2.127 2.030 2.225 . 0 0 "[ . 1 . 2]" 1
83 1 7 ALA H 1 8 TRP H . . 3.500 2.573 2.543 2.608 . 0 0 "[ . 1 . 2]" 1
84 1 7 ALA H 1 8 TRP QB . . 4.520 4.489 4.444 4.514 . 0 0 "[ . 1 . 2]" 1
85 1 7 ALA H 1 9 VAL HB . . 5.220 5.210 5.197 5.219 . 0 0 "[ . 1 . 2]" 1
86 1 7 ALA HA 1 8 TRP H . . 3.500 3.482 3.471 3.488 . 0 0 "[ . 1 . 2]" 1
87 1 7 ALA HA 1 10 ASP H . . 6.000 3.761 3.704 3.862 . 0 0 "[ . 1 . 2]" 1
88 1 7 ALA MB 1 8 TRP H . . 3.600 2.854 2.779 2.938 . 0 0 "[ . 1 . 2]" 1
89 1 7 ALA MB 1 8 TRP HE1 . . 4.410 4.002 3.835 4.142 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP H 1 8 TRP QB . . 3.310 2.264 2.249 2.294 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP H 1 8 TRP HD1 . . 3.640 2.778 2.672 2.852 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP H 1 8 TRP HE1 . . 5.320 5.259 5.158 5.309 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP H 1 9 VAL H . . 3.420 2.247 2.241 2.254 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP H 1 9 VAL HA . . 5.000 4.922 4.892 4.939 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP H 1 9 VAL HB . . 4.520 4.515 4.508 4.519 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP H 1 9 VAL QG . . 4.410 3.680 3.585 3.778 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP H 1 10 ASP H . . 4.230 3.821 3.739 4.019 . 0 0 "[ . 1 . 2]" 1
98 1 8 TRP HA 1 8 TRP HE1 . . 4.880 4.770 4.712 4.854 . 0 0 "[ . 1 . 2]" 1
99 1 8 TRP HA 1 9 VAL H . . 3.750 3.470 3.460 3.486 . 0 0 "[ . 1 . 2]" 1
100 1 8 TRP HA 1 9 VAL HB . . 6.000 5.839 5.790 5.863 . 0 0 "[ . 1 . 2]" 1
101 1 8 TRP HA 1 12 ALA H . . 6.500 4.727 4.390 4.908 . 0 0 "[ . 1 . 2]" 1
102 1 8 TRP QB 1 8 TRP HE1 . . 4.620 4.554 4.533 4.573 . 0 0 "[ . 1 . 2]" 1
103 1 8 TRP QB 1 9 VAL H . . 4.130 2.906 2.854 2.941 . 0 0 "[ . 1 . 2]" 1
104 1 8 TRP QB 1 9 VAL HA . . 4.780 3.963 3.948 3.986 . 0 0 "[ . 1 . 2]" 1
105 1 8 TRP QB 1 9 VAL HB . . 5.500 4.932 4.868 5.037 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 9 VAL HA . . 2.740 2.873 2.847 2.892 0.152 1 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 9 VAL HB . . 3.440 2.505 2.497 2.514 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL H 1 9 VAL MG1 . . 3.840 3.773 3.766 3.778 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL H 1 9 VAL MG2 . . 3.840 2.324 2.198 2.407 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL H 1 10 ASP H . . 3.760 2.424 2.341 2.545 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL H 1 11 PRO QD . . 2.930 3.399 3.332 3.448 0.518 17 3 "[ . 1 * . +- 2]" 1
112 1 9 VAL HA 1 9 VAL MG1 . . 3.500 2.321 2.296 2.396 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL HA 1 9 VAL MG2 . . 3.520 2.371 2.289 2.434 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL HA 1 10 ASP H . . 4.170 3.476 3.461 3.523 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL HA 1 10 ASP QB . . 6.000 5.155 5.128 5.197 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL HA 1 12 ALA H . . 6.000 3.289 3.231 3.397 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL HA 1 12 ALA MB . . 6.000 2.101 1.985 2.233 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL HA 1 13 TYR H . . 6.000 3.697 3.269 4.280 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL HB 1 10 ASP H . . 4.090 2.926 2.701 2.990 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL HB 1 10 ASP QB . . 4.970 4.619 4.388 4.737 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL HB 1 12 ALA H . . 6.000 5.361 5.236 5.531 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL MG1 1 10 ASP H . . 4.180 3.711 3.568 3.763 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL MG1 1 10 ASP HA . . 4.600 3.710 3.582 3.803 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL MG1 1 12 ALA MB . . 6.000 2.860 2.626 3.299 . 0 0 "[ . 1 . 2]" 1
125 1 9 VAL MG1 1 13 TYR H . . 6.000 3.207 2.874 3.750 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL MG2 1 10 ASP H . . 4.180 3.936 3.872 3.972 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL O 1 13 TYR H . . 1.800 1.985 1.809 2.296 0.496 4 0 "[ . 1 . 2]" 1
128 1 9 VAL O 1 13 TYR N . . 2.700 2.943 2.751 3.240 0.540 4 2 "[ +. -1 . 2]" 1
129 1 10 ASP H 1 10 ASP HA . . 2.830 2.773 2.761 2.801 . 0 0 "[ . 1 . 2]" 1
130 1 10 ASP H 1 10 ASP QB . . 3.430 2.081 2.055 2.127 . 0 0 "[ . 1 . 2]" 1
131 1 10 ASP H 1 12 ALA H . . 6.000 3.808 3.778 3.901 . 0 0 "[ . 1 . 2]" 1
132 1 10 ASP H 1 13 TYR H . . 6.000 4.967 4.626 5.298 . 0 0 "[ . 1 . 2]" 1
133 1 10 ASP HA 1 13 TYR H . . 6.000 4.191 4.031 4.355 . 0 0 "[ . 1 . 2]" 1
134 1 10 ASP HA 1 13 TYR QB . . 6.000 3.836 3.449 4.085 . 0 0 "[ . 1 . 2]" 1
135 1 10 ASP HA 1 14 GLU H . . 6.500 4.552 4.065 5.069 . 0 0 "[ . 1 . 2]" 1
136 1 10 ASP QB 1 12 ALA H . . 6.000 4.232 4.144 4.410 . 0 0 "[ . 1 . 2]" 1
137 1 10 ASP O 1 14 GLU H . . 1.800 2.473 2.213 2.850 1.050 4 18 "[***+**-****** *** **]" 1
138 1 10 ASP O 1 14 GLU N . . 2.700 3.426 3.153 3.821 1.121 4 18 "[***+-******** *** **]" 1
139 1 11 PRO HA 1 12 ALA H . . 3.860 3.465 3.389 3.521 . 0 0 "[ . 1 . 2]" 1
140 1 11 PRO HA 1 14 GLU QB . . 6.000 2.943 2.545 3.698 . 0 0 "[ . 1 . 2]" 1
141 1 11 PRO HA 1 14 GLU QG . . 6.000 3.081 1.982 4.038 . 0 0 "[ . 1 . 2]" 1
142 1 11 PRO QB 1 12 ALA H . . 6.380 3.404 3.223 3.582 . 0 0 "[ . 1 . 2]" 1
143 1 11 PRO QG 1 12 ALA H . . 6.000 2.665 2.378 2.980 . 0 0 "[ . 1 . 2]" 1
144 1 11 PRO O 1 15 PHE H . . 1.800 2.519 2.334 2.662 0.862 17 20 [****************+**-] 1
145 1 11 PRO O 1 15 PHE N . . 2.700 3.248 3.123 3.335 0.635 14 14 "[* -**** *1 *+*****2]" 1
146 1 12 ALA H 1 12 ALA HA . . 3.000 2.849 2.820 2.857 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA H 1 12 ALA MB . . 2.880 2.203 2.038 2.253 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA H 1 13 TYR H . . 3.450 2.733 2.616 2.833 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA H 1 13 TYR QB . . 4.420 4.396 4.313 4.427 0.007 9 0 "[ . 1 . 2]" 1
150 1 12 ALA H 1 14 GLU H . . 4.500 4.067 3.811 4.232 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA H 1 15 PHE QB . . 4.760 4.707 4.580 4.762 0.002 17 0 "[ . 1 . 2]" 1
152 1 12 ALA HA 1 13 TYR H . . 3.750 3.567 3.559 3.571 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA HA 1 16 ILE MD . . 6.000 4.585 3.589 4.928 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA MB 1 13 TYR H . . 3.330 2.232 1.997 2.505 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA MB 1 13 TYR QB . . 4.180 3.666 3.484 4.075 . 0 0 "[ . 1 . 2]" 1
156 1 12 ALA MB 1 14 GLU H . . 4.570 4.445 4.209 4.571 0.001 14 0 "[ . 1 . 2]" 1
157 1 12 ALA MB 1 16 ILE H . . 5.190 4.815 4.480 5.056 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA MB 1 16 ILE MD . . 6.000 4.120 3.077 4.392 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA O 1 16 ILE H . . 1.800 2.210 1.836 2.471 0.671 1 7 "[+ * * * *1 - . * 2]" 1
160 1 12 ALA O 1 16 ILE N . . 2.700 3.121 2.797 3.365 0.665 1 7 "[+ * * * *1 - . * 2]" 1
161 1 13 TYR H 1 13 TYR HB2 . . 3.560 2.212 2.096 2.589 . 0 0 "[ . 1 . 2]" 1
162 1 13 TYR H 1 13 TYR HB3 . . 3.560 3.008 2.476 3.562 0.002 4 0 "[ . 1 . 2]" 1
163 1 13 TYR H 1 13 TYR QD . . 4.420 3.725 1.948 4.198 . 0 0 "[ . 1 . 2]" 1
164 1 13 TYR H 1 14 GLU H . . 3.500 2.816 2.752 2.945 . 0 0 "[ . 1 . 2]" 1
165 1 13 TYR H 1 14 GLU QB . . 4.830 4.754 4.663 4.832 0.002 18 0 "[ . 1 . 2]" 1
166 1 13 TYR H 1 14 GLU QG . . 4.740 4.489 4.134 4.739 . 0 0 "[ . 1 . 2]" 1
167 1 13 TYR H 1 15 PHE H . . 4.720 4.056 3.937 4.192 . 0 0 "[ . 1 . 2]" 1
168 1 13 TYR H 1 16 ILE HB . . 6.000 5.709 5.267 5.996 . 0 0 "[ . 1 . 2]" 1
169 1 13 TYR H 1 16 ILE MD . . 6.000 5.550 3.709 6.001 0.001 18 0 "[ . 1 . 2]" 1
170 1 13 TYR HA 1 14 GLU H . . 3.790 3.552 3.525 3.567 . 0 0 "[ . 1 . 2]" 1
171 1 13 TYR HB2 1 14 GLU H . . 4.130 3.386 2.457 3.861 . 0 0 "[ . 1 . 2]" 1
172 1 13 TYR HB3 1 14 GLU H . . 4.130 2.604 2.356 3.262 . 0 0 "[ . 1 . 2]" 1
173 1 13 TYR QD 1 14 GLU H . . 4.250 4.031 3.006 4.258 0.008 4 0 "[ . 1 . 2]" 1
174 1 13 TYR O 1 17 LYS H . . 1.800 2.289 1.850 2.769 0.969 3 12 "[**+ * ***1** . *-*2]" 1
175 1 13 TYR O 1 17 LYS N . . 2.700 3.137 2.749 3.555 0.855 3 9 "[**+ . ***1** . -2]" 1
176 1 14 GLU H 1 14 GLU QB . . 3.260 2.377 2.291 2.494 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLU H 1 14 GLU QG . . 3.270 2.375 2.070 2.560 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLU H 1 15 PHE H . . 3.660 2.694 2.598 2.790 . 0 0 "[ . 1 . 2]" 1
179 1 14 GLU H 1 16 ILE H . . 4.440 4.373 4.250 4.446 0.006 18 0 "[ . 1 . 2]" 1
180 1 14 GLU HA 1 15 PHE H . . 5.500 3.489 3.463 3.520 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLU HA 1 17 LYS H . . 3.300 3.574 3.419 3.703 0.403 15 0 "[ . 1 . 2]" 1
182 1 14 GLU HA 1 17 LYS QD . . 4.840 3.490 1.965 4.576 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLU QB 1 15 PHE H . . 5.190 2.974 2.654 3.584 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLU O 1 18 GLY H . . 1.800 3.022 2.413 3.393 1.593 18 20 [*************-***+**] 1
185 1 14 GLU O 1 18 GLY N . . 2.700 3.735 3.157 4.020 1.320 10 15 "[*-*** ***+** . ****]" 1
186 1 15 PHE H 1 15 PHE HA . . 2.870 2.846 2.832 2.851 . 0 0 "[ . 1 . 2]" 1
187 1 15 PHE H 1 15 PHE QB . . 3.290 2.110 2.056 2.265 . 0 0 "[ . 1 . 2]" 1
188 1 15 PHE H 1 15 PHE QD . . 4.290 3.630 3.127 4.189 . 0 0 "[ . 1 . 2]" 1
189 1 15 PHE H 1 16 ILE H . . 3.650 2.592 2.537 2.642 . 0 0 "[ . 1 . 2]" 1
190 1 15 PHE H 1 18 GLY H . . 5.330 5.137 4.701 5.339 0.009 18 0 "[ . 1 . 2]" 1
191 1 15 PHE HA 1 16 ILE H . . 3.550 3.542 3.526 3.560 0.010 20 0 "[ . 1 . 2]" 1
192 1 15 PHE HA 1 18 GLY H . . 6.000 3.655 3.454 3.977 . 0 0 "[ . 1 . 2]" 1
193 1 15 PHE QB 1 16 ILE H . . 3.810 2.596 2.375 2.726 . 0 0 "[ . 1 . 2]" 1
194 1 15 PHE QB 1 16 ILE HA . . 5.410 3.795 3.721 4.072 . 0 0 "[ . 1 . 2]" 1
195 1 15 PHE QB 1 18 GLY H . . 5.260 4.904 4.754 5.157 . 0 0 "[ . 1 . 2]" 1
196 1 15 PHE QD 1 16 ILE H . . 4.730 4.385 3.570 4.618 . 0 0 "[ . 1 . 2]" 1
197 1 15 PHE QD 1 18 GLY H . . 5.500 5.250 4.869 5.500 0.000 18 0 "[ . 1 . 2]" 1
198 1 15 PHE O 1 19 PHE H . . 1.800 2.035 1.802 2.481 0.681 7 3 "[ * . + 1 . -2]" 1
199 1 15 PHE O 1 19 PHE N . . 2.700 2.901 2.744 3.321 0.621 7 2 "[ . + 1 . -2]" 1
200 1 16 ILE H 1 16 ILE HB . . 3.460 2.576 2.540 2.653 . 0 0 "[ . 1 . 2]" 1
201 1 16 ILE H 1 16 ILE MD . . 5.500 2.932 1.913 3.295 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE H 1 17 LYS H . . 3.500 2.640 2.591 2.685 . 0 0 "[ . 1 . 2]" 1
203 1 16 ILE H 1 17 LYS QG . . 4.550 4.151 3.793 4.550 . 0 0 "[ . 1 . 2]" 1
204 1 16 ILE HA 1 16 ILE MD . . 3.780 2.275 1.968 3.519 . 0 0 "[ . 1 . 2]" 1
205 1 16 ILE HA 1 17 LYS H . . 3.450 3.484 3.462 3.548 0.098 14 0 "[ . 1 . 2]" 1
206 1 16 ILE HA 1 18 GLY H . . 5.500 3.869 3.579 4.092 . 0 0 "[ . 1 . 2]" 1
207 1 16 ILE HA 1 19 PHE H . . 4.160 3.240 2.978 3.964 . 0 0 "[ . 1 . 2]" 1
208 1 16 ILE HA 1 19 PHE HB2 . . 4.980 3.129 2.213 4.981 0.001 4 0 "[ . 1 . 2]" 1
209 1 16 ILE HA 1 19 PHE HB3 . . 5.390 3.239 2.457 4.087 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE HB 1 17 LYS H . . 4.570 2.864 2.516 2.981 . 0 0 "[ . 1 . 2]" 1
211 1 16 ILE MD 1 17 LYS H . . 5.500 4.493 3.726 4.667 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE MD 1 18 GLY H . . 5.500 5.376 5.109 5.502 0.002 17 0 "[ . 1 . 2]" 1
213 1 16 ILE MD 1 20 GLY H . . 5.500 5.023 3.642 5.495 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE MG 1 17 LYS H . . 5.500 3.691 3.417 3.879 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE MG 1 20 GLY H . . 5.250 3.638 2.727 4.207 . 0 0 "[ . 1 . 2]" 1
216 1 16 ILE MG 1 20 GLY QA . . 4.730 3.587 2.157 4.619 . 0 0 "[ . 1 . 2]" 1
217 1 17 LYS H 1 17 LYS QB . . 3.260 2.416 2.261 2.540 . 0 0 "[ . 1 . 2]" 1
218 1 17 LYS H 1 17 LYS QE . . 4.810 4.523 3.434 4.814 0.004 13 0 "[ . 1 . 2]" 1
219 1 17 LYS H 1 17 LYS QG . . 3.720 2.323 2.008 2.684 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS H 1 18 GLY H . . 3.620 2.630 2.571 2.717 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS H 1 19 PHE H . . 4.660 4.076 3.856 4.569 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS HA 1 17 LYS QD . . 4.810 3.286 2.090 4.518 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS HA 1 18 GLY H . . 3.750 3.476 3.441 3.507 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS QB 1 18 GLY H . . 3.920 3.040 2.738 3.589 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS QG 1 18 GLY H . . 4.540 3.772 2.411 4.410 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLY H 1 18 GLY QA . . 2.450 2.297 2.231 2.394 . 0 0 "[ . 1 . 2]" 1
227 1 18 GLY H 1 19 PHE H . . 3.440 2.209 1.898 2.446 . 0 0 "[ . 1 . 2]" 1
228 1 18 GLY H 1 19 PHE QB . . 4.620 3.918 3.734 4.147 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLY H 1 19 PHE QD . . 5.500 5.174 4.324 5.533 0.033 18 0 "[ . 1 . 2]" 1
230 1 18 GLY H 1 20 GLY H . . 4.110 3.682 3.046 4.087 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLY H 1 21 LYS QB . . 5.500 4.826 4.316 5.443 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLY QA 1 19 PHE HA . . 5.040 4.026 4.003 4.071 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLY QA 1 21 LYS QB . . 4.150 2.851 2.501 3.202 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLY HA2 1 19 PHE H . . 4.510 3.499 3.437 3.569 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLY HA3 1 19 PHE H . . 4.350 2.916 2.602 3.070 . 0 0 "[ . 1 . 2]" 1
236 1 19 PHE H 1 19 PHE HA . . 3.000 2.843 2.765 2.887 . 0 0 "[ . 1 . 2]" 1
237 1 19 PHE H 1 19 PHE HB2 . . 3.650 2.310 2.075 2.858 . 0 0 "[ . 1 . 2]" 1
238 1 19 PHE H 1 19 PHE HB3 . . 3.650 2.967 2.336 3.407 . 0 0 "[ . 1 . 2]" 1
239 1 19 PHE H 1 19 PHE QD . . 3.900 3.622 2.807 4.166 0.266 10 0 "[ . 1 . 2]" 1
240 1 19 PHE H 1 19 PHE QE . . 5.500 5.761 5.116 6.199 0.699 10 6 "[ ** + . *- *]" 1
241 1 19 PHE H 1 20 GLY H . . 4.170 2.516 2.357 2.745 . 0 0 "[ . 1 . 2]" 1
242 1 19 PHE HA 1 20 GLY H . . 3.730 3.487 3.467 3.524 . 0 0 "[ . 1 . 2]" 1
243 1 19 PHE HA 1 20 GLY QA . . 5.500 4.229 4.202 4.309 . 0 0 "[ . 1 . 2]" 1
244 1 19 PHE HB2 1 20 GLY H . . 4.690 3.608 3.080 4.180 . 0 0 "[ . 1 . 2]" 1
245 1 19 PHE HB3 1 20 GLY H . . 4.390 3.111 2.754 3.323 . 0 0 "[ . 1 . 2]" 1
246 1 19 PHE QD 1 20 GLY H . . 5.500 4.301 3.161 4.769 . 0 0 "[ . 1 . 2]" 1
247 1 20 GLY H 1 21 LYS H . . 3.440 2.824 2.676 2.891 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLY H 1 21 LYS HA . . 4.990 4.222 4.073 4.558 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLY H 1 21 LYS QB . . 4.370 4.312 4.149 4.370 0.000 15 0 "[ . 1 . 2]" 1
250 1 20 GLY H 1 21 LYS QD . . 4.560 4.225 3.834 4.531 . 0 0 "[ . 1 . 2]" 1
251 1 20 GLY QA 1 21 LYS H . . 3.190 2.600 2.460 2.786 . 0 0 "[ . 1 . 2]" 1
252 1 20 GLY QA 1 21 LYS HA . . 4.730 4.182 4.173 4.204 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLY QA 1 21 LYS QB . . 4.750 4.536 4.382 4.595 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLY QA 1 23 ALA MB . . 4.130 3.223 2.091 7.814 3.684 20 1 "[ . 1 . +]" 1
255 1 21 LYS H 1 21 LYS HA . . 3.000 2.807 2.784 2.810 . 0 0 "[ . 1 . 2]" 1
256 1 21 LYS H 1 21 LYS QB . . 2.940 2.426 2.197 2.494 . 0 0 "[ . 1 . 2]" 1
257 1 21 LYS H 1 21 LYS HD2 . . 3.400 2.257 1.918 2.553 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS H 1 21 LYS HD3 . . 3.400 2.993 2.196 3.387 . 0 0 "[ . 1 . 2]" 1
259 1 21 LYS H 1 21 LYS QE . . 4.290 4.082 3.600 4.290 . 0 0 "[ . 1 . 2]" 1
260 1 21 LYS H 1 21 LYS QG . . 3.480 2.735 2.560 3.488 0.008 20 0 "[ . 1 . 2]" 1
261 1 21 LYS H 1 22 GLY H . . 3.500 2.735 2.635 4.573 1.073 20 1 "[ . 1 . +]" 1
262 1 21 LYS H 1 24 ILE MD . . 5.500 7.263 5.944 8.352 2.852 15 19 "[*****- *******+*****]" 1
263 1 21 LYS HA 1 22 GLY H . . 3.390 3.378 2.617 3.419 0.029 4 0 "[ . 1 . 2]" 1
264 1 21 LYS HA 1 24 ILE MD . . 3.600 6.822 4.538 8.516 4.916 11 20 [-*********+*********] 1
265 1 21 LYS QB 1 21 LYS QE . . 4.070 2.821 2.249 3.680 . 0 0 "[ . 1 . 2]" 1
266 1 21 LYS QB 1 22 GLY H . . 4.110 3.615 2.298 3.686 . 0 0 "[ . 1 . 2]" 1
267 1 21 LYS QB 1 22 GLY QA . . 4.410 4.209 4.062 4.316 . 0 0 "[ . 1 . 2]" 1
268 1 21 LYS QD 1 22 GLY QA . . 4.710 4.472 3.286 4.709 . 0 0 "[ . 1 . 2]" 1
269 1 21 LYS HD2 1 22 GLY H . . 4.440 4.164 3.265 4.555 0.115 20 0 "[ . 1 . 2]" 1
270 1 21 LYS HD3 1 22 GLY H . . 4.440 3.798 1.948 4.186 . 0 0 "[ . 1 . 2]" 1
271 1 21 LYS QE 1 22 GLY H . . 5.490 5.113 4.209 5.329 . 0 0 "[ . 1 . 2]" 1
272 1 21 LYS QG 1 22 GLY H . . 3.460 2.383 2.312 3.039 . 0 0 "[ . 1 . 2]" 1
273 1 22 GLY H 1 23 ALA H . . 3.110 2.578 1.903 3.109 . 0 0 "[ . 1 . 2]" 1
274 1 22 GLY H 1 23 ALA MB . . 4.140 3.779 3.314 4.135 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLY H 1 24 ILE H . . 4.920 5.786 4.913 6.890 1.970 3 14 "[**+*- ** 1*** **** 2]" 1
276 1 22 GLY QA 1 23 ALA H . . 3.110 2.619 2.235 2.867 . 0 0 "[ . 1 . 2]" 1
277 1 22 GLY QA 1 23 ALA MB . . 4.730 4.027 3.785 4.251 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLY QA 1 24 ILE H . . 4.100 4.410 3.288 5.753 1.653 11 9 "[ -**. ** 1+ * ** 2]" 1
279 1 23 ALA H 1 23 ALA MB . . 2.850 2.434 2.029 2.830 . 0 0 "[ . 1 . 2]" 1
280 1 23 ALA H 1 24 ILE H . . 6.000 3.719 1.948 4.641 . 0 0 "[ . 1 . 2]" 1
281 1 23 ALA H 1 24 ILE MD . . 5.240 4.264 2.871 5.146 . 0 0 "[ . 1 . 2]" 1
282 1 23 ALA HA 1 24 ILE H . . 3.560 2.380 2.142 2.965 . 0 0 "[ . 1 . 2]" 1
283 1 23 ALA HA 1 26 GLU QG . . 4.470 4.207 2.437 5.136 0.666 5 3 "[ +- 1 * . 2]" 1
284 1 23 ALA MB 1 24 ILE H . . 3.740 3.475 2.587 3.720 . 0 0 "[ . 1 . 2]" 1
285 1 24 ILE H 1 24 ILE HB . . 3.620 2.535 2.493 2.610 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE H 1 24 ILE MD . . 3.790 2.848 1.902 3.441 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE H 1 24 ILE QG . . 3.280 2.444 2.066 3.107 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE H 1 24 ILE MG . . 3.810 3.778 3.766 3.794 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE H 1 25 LYS H . . 3.500 2.393 2.272 2.598 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE H 1 26 GLU H . . 4.210 4.301 3.949 4.905 0.695 12 3 "[ *- 1 + . 2]" 1
291 1 24 ILE HA 1 24 ILE HB . . 3.080 3.020 3.018 3.021 . 0 0 "[ . 1 . 2]" 1
292 1 24 ILE HA 1 24 ILE MD . . 3.300 2.431 1.988 3.303 0.003 3 0 "[ . 1 . 2]" 1
293 1 24 ILE HA 1 24 ILE QG . . 3.910 2.771 2.309 3.034 . 0 0 "[ . 1 . 2]" 1
294 1 24 ILE HA 1 25 LYS H . . 3.450 3.455 3.454 3.462 0.012 11 0 "[ . 1 . 2]" 1
295 1 24 ILE HA 1 25 LYS HA . . 4.850 4.806 4.760 4.850 0.000 9 0 "[ . 1 . 2]" 1
296 1 24 ILE HB 1 24 ILE MD . . 3.350 2.911 2.129 3.231 . 0 0 "[ . 1 . 2]" 1
297 1 24 ILE HB 1 25 LYS H . . 6.000 3.008 2.987 3.012 . 0 0 "[ . 1 . 2]" 1
298 1 24 ILE HB 1 25 LYS HA . . 4.700 4.268 4.177 4.332 . 0 0 "[ . 1 . 2]" 1
299 1 24 ILE MD 1 25 LYS H . . 5.500 4.375 3.776 4.690 . 0 0 "[ . 1 . 2]" 1
300 1 24 ILE MD 1 27 GLY H . . 5.500 5.143 4.706 5.815 0.315 17 0 "[ . 1 . 2]" 1
301 1 24 ILE MD 1 28 ASN HA . . 5.500 4.961 4.245 5.505 0.005 11 0 "[ . 1 . 2]" 1
302 1 24 ILE MD 1 28 ASN HD21 . . 5.500 3.525 1.851 5.366 . 0 0 "[ . 1 . 2]" 1
303 1 24 ILE MD 1 28 ASN HD22 . . 5.500 3.741 2.160 5.148 . 0 0 "[ . 1 . 2]" 1
304 1 24 ILE QG 1 28 ASN QB . . 4.350 4.266 3.975 4.351 0.001 11 0 "[ . 1 . 2]" 1
305 1 24 ILE MG 1 25 LYS H . . 4.160 3.786 3.731 3.904 . 0 0 "[ . 1 . 2]" 1
306 1 24 ILE MG 1 25 LYS HA . . 4.020 3.739 3.628 3.977 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS H 1 25 LYS HA . . 3.000 2.820 2.791 2.850 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS H 1 25 LYS QB . . 2.740 2.585 2.501 2.653 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS H 1 25 LYS QD . . 3.910 3.028 1.973 3.907 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS H 1 25 LYS HG2 . . 3.760 2.999 2.246 3.747 . 0 0 "[ . 1 . 2]" 1
311 1 25 LYS H 1 25 LYS HG3 . . 3.760 2.514 1.984 3.662 . 0 0 "[ . 1 . 2]" 1
312 1 25 LYS H 1 26 GLU H . . 2.980 2.679 2.505 2.979 . 0 0 "[ . 1 . 2]" 1
313 1 25 LYS H 1 26 GLU QG . . 4.700 4.155 3.771 4.615 . 0 0 "[ . 1 . 2]" 1
314 1 25 LYS HA 1 25 LYS HG2 . . 4.220 3.803 3.286 4.188 . 0 0 "[ . 1 . 2]" 1
315 1 25 LYS HA 1 25 LYS QG . . 3.470 3.166 2.496 3.402 . 0 0 "[ . 1 . 2]" 1
316 1 25 LYS HA 1 25 LYS HG3 . . 4.220 3.486 2.586 4.195 . 0 0 "[ . 1 . 2]" 1
317 1 25 LYS HA 1 26 GLU H . . 3.750 3.520 3.464 3.572 . 0 0 "[ . 1 . 2]" 1
318 1 25 LYS QB 1 26 GLU H . . 6.000 3.120 1.987 3.587 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS QB 1 26 GLU QG . . 4.360 3.900 2.714 4.342 . 0 0 "[ . 1 . 2]" 1
320 1 25 LYS QB 1 27 GLY H . . 5.080 4.775 4.094 5.074 . 0 0 "[ . 1 . 2]" 1
321 1 25 LYS QD 1 26 GLU H . . 4.000 3.131 2.545 3.585 . 0 0 "[ . 1 . 2]" 1
322 1 25 LYS QD 1 27 GLY H . . 5.500 5.066 4.562 5.502 0.002 11 0 "[ . 1 . 2]" 1
323 1 25 LYS QG 1 26 GLU H . . 4.430 2.522 1.937 4.014 . 0 0 "[ . 1 . 2]" 1
324 1 25 LYS QG 1 27 GLY H . . 5.340 4.619 4.264 5.334 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLU H 1 26 GLU HA . . 2.870 2.826 2.782 2.848 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLU H 1 26 GLU HB2 . . 3.720 2.588 2.453 3.583 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLU H 1 26 GLU HB3 . . 3.720 3.536 2.427 3.601 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLU H 1 26 GLU QG . . 3.280 2.201 2.037 2.413 . 0 0 "[ . 1 . 2]" 1
329 1 26 GLU H 1 27 GLY H . . 2.850 2.583 2.516 2.705 . 0 0 "[ . 1 . 2]" 1
330 1 26 GLU HA 1 26 GLU HB2 . . 3.080 2.992 2.407 3.024 . 0 0 "[ . 1 . 2]" 1
331 1 26 GLU HA 1 26 GLU HB3 . . 2.990 2.455 2.395 2.491 . 0 0 "[ . 1 . 2]" 1
332 1 26 GLU HA 1 26 GLU QG . . 3.770 2.694 2.351 3.336 . 0 0 "[ . 1 . 2]" 1
333 1 26 GLU HA 1 27 GLY H . . 3.750 3.488 3.466 3.516 . 0 0 "[ . 1 . 2]" 1
334 1 26 GLU HB2 1 27 GLY H . . 4.050 2.929 2.729 4.009 . 0 0 "[ . 1 . 2]" 1
335 1 26 GLU HB3 1 27 GLY H . . 4.050 3.905 3.762 4.047 . 0 0 "[ . 1 . 2]" 1
336 1 26 GLU QG 1 27 GLY H . . 4.140 3.973 2.348 4.130 . 0 0 "[ . 1 . 2]" 1
337 1 27 GLY H 1 27 GLY HA2 . . 3.020 2.600 2.405 2.953 . 0 0 "[ . 1 . 2]" 1
338 1 27 GLY H 1 28 ASN H . . 3.370 3.142 1.906 4.000 0.630 6 2 "[ .+ -1 . 2]" 1
339 1 27 GLY H 1 28 ASN HA . . 5.360 4.737 4.024 5.338 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLY H 1 28 ASN QB . . 4.450 4.454 3.320 5.451 1.001 6 5 "[ -*.+ 1* * . 2]" 1
341 1 27 GLY QA 1 28 ASN H . . 2.940 2.286 2.112 2.728 . 0 0 "[ . 1 . 2]" 1
342 1 28 ASN H 1 28 ASN HA . . 3.000 2.726 2.279 2.876 . 0 0 "[ . 1 . 2]" 1
343 1 28 ASN H 1 28 ASN QB . . 2.810 2.355 2.083 2.879 0.069 19 0 "[ . 1 . 2]" 1
344 1 28 ASN H 1 28 ASN QD . . 4.330 4.115 3.668 4.348 0.018 19 0 "[ . 1 . 2]" 1
345 1 28 ASN H 1 28 ASN HD22 . . 5.500 5.234 4.862 5.519 0.019 18 0 "[ . 1 . 2]" 1
346 1 28 ASN H 1 29 LYS H . . 3.500 3.946 2.857 4.530 1.030 11 10 "[ **.** *1+-* ** 2]" 1
347 1 28 ASN H 1 29 LYS HA . . 5.350 5.209 4.225 5.724 0.374 3 0 "[ . 1 . 2]" 1
348 1 28 ASN HA 1 28 ASN HD21 . . 4.510 3.525 2.380 4.378 . 0 0 "[ . 1 . 2]" 1
349 1 28 ASN HA 1 28 ASN HD22 . . 4.510 4.015 3.398 4.509 . 0 0 "[ . 1 . 2]" 1
350 1 28 ASN HA 1 29 LYS H . . 3.160 2.338 2.143 2.752 . 0 0 "[ . 1 . 2]" 1
351 1 28 ASN QB 1 28 ASN HD22 . . 3.330 3.270 3.213 3.430 0.100 17 0 "[ . 1 . 2]" 1
352 1 28 ASN QB 1 29 LYS H . . 3.810 3.667 2.335 3.991 0.181 10 0 "[ . 1 . 2]" 1
353 1 28 ASN QB 1 29 LYS QG . . 5.500 5.321 4.802 5.813 0.313 6 0 "[ . 1 . 2]" 1
354 1 28 ASN QB 1 31 LYS HA . . 5.100 3.801 2.842 5.011 . 0 0 "[ . 1 . 2]" 1
355 1 28 ASN QB 1 31 LYS QD . . 4.460 3.772 1.931 4.460 . 0 0 "[ . 1 . 2]" 1
356 1 28 ASN QD 1 31 LYS HA . . 5.340 4.399 2.482 5.355 0.015 18 0 "[ . 1 . 2]" 1
357 1 29 LYS H 1 29 LYS HA . . 3.140 2.847 2.760 2.876 . 0 0 "[ . 1 . 2]" 1
358 1 29 LYS H 1 29 LYS QB . . 3.050 2.318 2.097 2.653 . 0 0 "[ . 1 . 2]" 1
359 1 29 LYS H 1 29 LYS QD . . 3.440 2.893 2.172 3.397 . 0 0 "[ . 1 . 2]" 1
360 1 29 LYS H 1 29 LYS QE . . 4.690 4.043 2.458 4.618 . 0 0 "[ . 1 . 2]" 1
361 1 29 LYS H 1 29 LYS QG . . 3.550 2.807 1.946 3.494 . 0 0 "[ . 1 . 2]" 1
362 1 29 LYS H 1 30 ASP H . . 3.500 2.646 2.425 3.002 . 0 0 "[ . 1 . 2]" 1
363 1 29 LYS H 1 31 LYS H . . 4.410 4.495 3.848 4.939 0.529 2 2 "[ + . 1 . -2]" 1
364 1 29 LYS HA 1 30 ASP H . . 3.360 3.461 3.276 3.571 0.211 18 0 "[ . 1 . 2]" 1
365 1 29 LYS HA 1 30 ASP QB . . 5.500 5.291 4.757 5.636 0.136 12 0 "[ . 1 . 2]" 1
366 1 29 LYS HA 1 32 TRP HE1 . . 4.200 5.449 4.816 5.514 1.314 19 20 [****************-*+*] 1
367 1 29 LYS QB 1 30 ASP H . . 3.890 2.831 1.974 3.844 . 0 0 "[ . 1 . 2]" 1
368 1 29 LYS QB 1 32 TRP HE1 . . 4.350 4.949 3.970 5.504 1.154 3 10 "[- + * **1* **. **]" 1
369 1 29 LYS QD 1 30 ASP H . . 4.500 4.431 3.632 5.140 0.640 13 2 "[ . - 1 + . 2]" 1
370 1 29 LYS QG 1 30 ASP H . . 4.570 4.059 1.907 4.716 0.146 9 0 "[ . 1 . 2]" 1
371 1 30 ASP H 1 30 ASP HA . . 3.000 2.906 2.902 2.910 . 0 0 "[ . 1 . 2]" 1
372 1 30 ASP H 1 30 ASP QB . . 3.380 2.776 2.246 3.300 . 0 0 "[ . 1 . 2]" 1
373 1 30 ASP H 1 31 LYS H . . 3.740 2.924 2.105 3.352 . 0 0 "[ . 1 . 2]" 1
374 1 30 ASP H 1 31 LYS QG . . 4.350 4.653 4.035 5.002 0.652 2 9 "[*+ .** * * *- *]" 1
375 1 30 ASP H 1 32 TRP HD1 . . 5.500 5.335 4.826 5.689 0.189 18 0 "[ . 1 . 2]" 1
376 1 30 ASP H 1 32 TRP HE1 . . 5.180 5.190 5.134 5.210 0.030 19 0 "[ . 1 . 2]" 1
377 1 30 ASP HA 1 31 LYS H . . 2.990 2.743 2.631 3.128 0.138 17 0 "[ . 1 . 2]" 1
378 1 30 ASP HA 1 31 LYS HA . . 4.990 4.636 4.582 4.859 . 0 0 "[ . 1 . 2]" 1
379 1 30 ASP HA 1 31 LYS QB . . 5.500 4.982 4.899 5.226 . 0 0 "[ . 1 . 2]" 1
380 1 30 ASP HA 1 32 TRP H . . 3.990 3.303 3.136 3.528 . 0 0 "[ . 1 . 2]" 1
381 1 30 ASP HA 1 32 TRP HE1 . . 4.280 2.653 2.400 3.117 . 0 0 "[ . 1 . 2]" 1
382 1 30 ASP QB 1 31 LYS H . . 4.100 3.941 3.592 4.056 . 0 0 "[ . 1 . 2]" 1
383 1 30 ASP QB 1 31 LYS HA . . 5.500 4.504 4.244 4.916 . 0 0 "[ . 1 . 2]" 1
384 1 30 ASP QB 1 32 TRP H . . 4.710 4.556 4.278 4.694 . 0 0 "[ . 1 . 2]" 1
385 1 30 ASP QB 1 33 LYS H . . 4.630 3.787 3.266 3.976 . 0 0 "[ . 1 . 2]" 1
386 1 31 LYS H 1 31 LYS HA . . 2.910 2.869 2.758 2.900 . 0 0 "[ . 1 . 2]" 1
387 1 31 LYS H 1 31 LYS QB . . 2.930 2.572 2.379 2.703 . 0 0 "[ . 1 . 2]" 1
388 1 31 LYS H 1 31 LYS HD2 . . 4.280 4.261 4.119 4.286 0.006 9 0 "[ . 1 . 2]" 1
389 1 31 LYS H 1 31 LYS HD3 . . 5.500 4.350 2.695 4.879 . 0 0 "[ . 1 . 2]" 1
390 1 31 LYS H 1 31 LYS QE . . 4.800 3.718 3.444 4.243 . 0 0 "[ . 1 . 2]" 1
391 1 31 LYS H 1 31 LYS QG . . 2.840 2.114 1.919 2.488 . 0 0 "[ . 1 . 2]" 1
392 1 31 LYS H 1 32 TRP H . . 3.500 2.416 2.300 2.798 . 0 0 "[ . 1 . 2]" 1
393 1 31 LYS H 1 32 TRP HD1 . . 3.770 3.394 3.253 3.773 0.003 17 0 "[ . 1 . 2]" 1
394 1 31 LYS HA 1 31 LYS QG . . 3.820 3.393 3.335 3.432 . 0 0 "[ . 1 . 2]" 1
395 1 31 LYS HA 1 32 TRP H . . 3.500 3.458 3.437 3.521 0.021 17 0 "[ . 1 . 2]" 1
396 1 31 LYS HA 1 32 TRP HA . . 4.760 4.795 4.744 4.853 0.093 19 0 "[ . 1 . 2]" 1
397 1 31 LYS HA 1 32 TRP HB3 . . 5.500 5.908 5.853 5.968 0.468 19 0 "[ . 1 . 2]" 1
398 1 31 LYS QB 1 32 TRP H . . 4.050 3.596 3.431 3.642 . 0 0 "[ . 1 . 2]" 1
399 1 31 LYS QB 1 32 TRP HA . . 5.470 4.447 4.303 4.531 . 0 0 "[ . 1 . 2]" 1
400 1 31 LYS QE 1 32 TRP HE1 . . 4.530 5.471 5.301 5.503 0.973 17 20 [**-*************+***] 1
401 1 31 LYS QG 1 32 TRP H . . 3.930 2.257 2.005 2.422 . 0 0 "[ . 1 . 2]" 1
402 1 31 LYS QG 1 32 TRP HE1 . . 4.760 5.257 4.761 5.444 0.684 8 13 "[* ***+-*** *** *]" 1
403 1 32 TRP H 1 32 TRP HB2 . . 3.880 3.585 3.579 3.597 . 0 0 "[ . 1 . 2]" 1
404 1 32 TRP H 1 32 TRP HB3 . . 4.000 2.680 2.610 2.701 . 0 0 "[ . 1 . 2]" 1
405 1 32 TRP H 1 32 TRP HD1 . . 4.450 2.353 2.202 2.391 . 0 0 "[ . 1 . 2]" 1
406 1 32 TRP H 1 32 TRP HE1 . . 5.200 4.174 4.152 4.235 . 0 0 "[ . 1 . 2]" 1
407 1 32 TRP H 1 32 TRP HE3 . . 5.500 4.871 4.810 5.082 . 0 0 "[ . 1 . 2]" 1
408 1 32 TRP H 1 33 LYS H . . 3.550 2.584 2.519 2.701 . 0 0 "[ . 1 . 2]" 1
409 1 32 TRP H 1 34 ASN H . . 3.950 4.209 3.856 4.414 0.464 18 0 "[ . 1 . 2]" 1
410 1 32 TRP HA 1 33 LYS H . . 3.510 3.451 3.402 3.516 0.006 5 0 "[ . 1 . 2]" 1
411 1 32 TRP HA 1 34 ASN H . . 4.020 3.723 3.527 4.060 0.040 5 0 "[ . 1 . 2]" 1
412 1 32 TRP HA 1 35 ILE H . . 4.480 3.570 3.108 3.867 . 0 0 "[ . 1 . 2]" 1
413 1 32 TRP HA 1 35 ILE MD . . 5.140 3.223 2.040 5.147 0.007 15 0 "[ . 1 . 2]" 1
414 1 32 TRP HB2 1 33 LYS H . . 4.340 3.910 3.714 4.004 . 0 0 "[ . 1 . 2]" 1
415 1 32 TRP HB2 1 33 LYS HA . . 5.170 4.506 4.426 4.555 . 0 0 "[ . 1 . 2]" 1
416 1 32 TRP HB3 1 32 TRP HE1 . . 5.090 4.785 4.782 4.800 . 0 0 "[ . 1 . 2]" 1
417 1 32 TRP HB3 1 33 LYS H . . 4.340 4.174 4.022 4.278 . 0 0 "[ . 1 . 2]" 1
418 1 32 TRP HE1 1 33 LYS QD . . 3.590 4.471 4.170 4.509 0.919 19 20 [****************-*+*] 1
419 1 33 LYS H 1 33 LYS HA . . 3.000 2.818 2.793 2.878 . 0 0 "[ . 1 . 2]" 1
420 1 33 LYS H 1 33 LYS QB . . 3.010 2.589 2.441 2.688 . 0 0 "[ . 1 . 2]" 1
421 1 33 LYS H 1 33 LYS QD . . 4.210 3.835 3.493 4.206 . 0 0 "[ . 1 . 2]" 1
422 1 33 LYS H 1 33 LYS QE . . 4.790 4.496 3.986 4.767 . 0 0 "[ . 1 . 2]" 1
423 1 33 LYS H 1 33 LYS QG . . 3.310 2.044 1.917 2.245 . 0 0 "[ . 1 . 2]" 1
424 1 33 LYS H 1 34 ASN H . . 3.340 2.600 2.404 2.669 . 0 0 "[ . 1 . 2]" 1
425 1 33 LYS HA 1 33 LYS QE . . 5.490 3.978 2.961 5.370 . 0 0 "[ . 1 . 2]" 1
426 1 33 LYS HA 1 33 LYS QG . . 3.930 2.661 2.387 3.338 . 0 0 "[ . 1 . 2]" 1
427 1 33 LYS HA 1 34 ASN H . . 3.450 3.451 3.428 3.503 0.053 15 0 "[ . 1 . 2]" 1
428 1 33 LYS HA 1 34 ASN QD . . 5.340 5.003 4.690 5.326 . 0 0 "[ . 1 . 2]" 1
429 1 33 LYS HA 1 35 ILE H . . 4.730 3.559 3.450 3.904 . 0 0 "[ . 1 . 2]" 1
430 1 33 LYS QB 1 34 ASN H . . 3.640 2.974 2.738 3.633 . 0 0 "[ . 1 . 2]" 1
431 1 33 LYS QB 1 34 ASN HD21 . . 4.820 3.075 2.676 3.622 . 0 0 "[ . 1 . 2]" 1
432 1 33 LYS QB 1 34 ASN HD22 . . 4.820 4.424 4.013 4.829 0.009 5 0 "[ . 1 . 2]" 1
433 1 33 LYS QB 1 35 ILE H . . 5.320 4.459 4.417 4.646 . 0 0 "[ . 1 . 2]" 1
434 1 33 LYS QG 1 34 ASN H . . 4.300 3.908 2.520 4.154 . 0 0 "[ . 1 . 2]" 1
435 1 33 LYS QG 1 34 ASN QD . . 4.720 4.542 1.927 4.728 0.008 11 0 "[ . 1 . 2]" 1
436 1 34 ASN H 1 34 ASN HA . . 2.990 2.909 2.897 2.920 . 0 0 "[ . 1 . 2]" 1
437 1 34 ASN H 1 34 ASN HB2 . . 3.580 2.178 2.147 2.213 . 0 0 "[ . 1 . 2]" 1
438 1 34 ASN H 1 34 ASN HB3 . . 3.580 3.372 3.316 3.443 . 0 0 "[ . 1 . 2]" 1
439 1 34 ASN H 1 34 ASN QD . . 4.670 2.985 2.738 3.205 . 0 0 "[ . 1 . 2]" 1
440 1 34 ASN H 1 35 ILE H . . 3.010 2.488 2.304 2.537 . 0 0 "[ . 1 . 2]" 1
441 1 34 ASN H 1 35 ILE HB . . 4.510 4.863 4.348 5.526 1.016 10 4 "[ * . + *- 2]" 1
442 1 34 ASN H 1 35 ILE MD . . 4.780 4.421 2.698 4.800 0.020 11 0 "[ . 1 . 2]" 1
443 1 34 ASN H 1 35 ILE QG . . 4.460 3.688 3.233 4.477 0.017 13 0 "[ . 1 . 2]" 1
444 1 34 ASN H 1 35 ILE MG . . 5.500 5.666 5.546 5.906 0.406 10 0 "[ . 1 . 2]" 1
445 1 34 ASN HA 1 34 ASN HD21 . . 4.670 2.744 2.371 3.044 . 0 0 "[ . 1 . 2]" 1
446 1 34 ASN HA 1 34 ASN HD22 . . 4.670 3.562 3.418 3.700 . 0 0 "[ . 1 . 2]" 1
447 1 34 ASN HA 1 35 ILE H . . 3.210 3.201 3.135 3.295 0.085 15 0 "[ . 1 . 2]" 1
448 1 34 ASN QB 1 34 ASN QD . . 3.080 2.401 2.281 2.572 . 0 0 "[ . 1 . 2]" 1
449 1 34 ASN HB2 1 35 ILE H . . 4.000 3.855 3.636 4.002 0.002 4 0 "[ . 1 . 2]" 1
450 1 34 ASN HB3 1 34 ASN HD22 . . 4.200 4.094 4.082 4.097 . 0 0 "[ . 1 . 2]" 1
451 1 34 ASN HB3 1 35 ILE H . . 4.000 3.994 3.916 4.036 0.036 11 0 "[ . 1 . 2]" 1
452 1 35 ILE H 1 35 ILE HA . . 2.650 2.789 2.281 2.929 0.279 18 0 "[ . 1 . 2]" 1
453 1 35 ILE H 1 35 ILE HB . . 2.990 2.865 2.524 3.560 0.570 15 4 "[ * . * -+ 2]" 1
454 1 35 ILE H 1 35 ILE MD . . 3.830 3.472 2.559 3.849 0.019 4 0 "[ . 1 . 2]" 1
455 1 35 ILE H 1 35 ILE QG . . 3.560 2.564 2.125 3.501 . 0 0 "[ . 1 . 2]" 1
456 1 35 ILE H 1 35 ILE MG . . 3.890 3.875 3.765 3.985 0.095 14 0 "[ . 1 . 2]" 1
457 1 35 ILE HA 1 35 ILE HB . . 2.900 3.018 3.015 3.021 0.121 10 0 "[ . 1 . 2]" 1
458 1 35 ILE HA 1 35 ILE MD . . 3.900 2.988 1.970 3.851 . 0 0 "[ . 1 . 2]" 1
459 1 35 ILE HA 1 35 ILE MG . . 3.570 2.329 2.220 2.433 . 0 0 "[ . 1 . 2]" 1
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