NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593944 |
5abk   |
25745 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5abk
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 616
_Distance_constraint_stats_list.Viol_count 1248
_Distance_constraint_stats_list.Viol_total 7419.677
_Distance_constraint_stats_list.Viol_max 1.038
_Distance_constraint_stats_list.Viol_rms 0.1111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0301
_Distance_constraint_stats_list.Viol_average_violations_only 0.2973
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 2.409 0.511 8 1 "[ . + 1 . 2]"
1 7 PRO 2.623 0.511 8 1 "[ . + 1 . 2]"
1 8 ILE 9.378 0.539 11 1 "[ . 1+ . 2]"
1 9 ASP 9.824 0.595 19 4 "[ . ** - . +2]"
1 10 LEU 5.042 1.038 2 4 "[-+ * 1 .* 2]"
1 11 GLY 4.147 0.595 19 3 "[ . * - . +2]"
1 12 VAL 9.550 0.705 16 4 "[* * 1 .+ -2]"
1 13 VAL 6.139 0.573 19 1 "[ . 1 . +2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.224 0.095 9 0 "[ . 1 . 2]"
1 16 ASP 23.815 0.801 15 18 "[************* + **-*]"
1 17 LYS 4.009 0.688 11 2 "[ . 1+ - . 2]"
1 18 LEU 26.097 0.688 11 12 "[ * *- ****+ **. **2]"
1 19 ILE 29.537 0.787 19 17 "[ *************. **+*]"
1 20 GLU 10.926 0.801 15 8 "[-* *. * 1 * + * *]"
1 21 MET 11.826 0.641 10 7 "[- *** * + * 2]"
1 22 LEU 62.950 0.827 5 20 [****+********-******]
1 23 VAL 12.347 0.600 20 7 "[ *.- 1* *. **+]"
1 24 ARG 2.099 0.513 1 1 "[+ . 1 . 2]"
1 25 THR 4.229 0.561 4 3 "[- +. * 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 1.246 0.474 17 0 "[ . 1 . 2]"
1 28 ILE 57.583 0.827 5 20 [****+-**************]
1 29 PRO 27.900 0.759 1 12 "[+* *** *** -* * *]"
1 30 ALA 6.540 0.552 20 1 "[ . 1 . +]"
1 31 ASP 11.117 0.748 6 14 "[*- .+ ********** *2]"
1 32 ALA 15.548 0.759 1 6 "[+ .* * * - *]"
1 33 SER 10.096 0.748 6 14 "[*- .+ ********** *2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.346 0.141 5 0 "[ . 1 . 2]"
1 36 ASP 6.933 0.593 13 2 "[ . - 1 + . 2]"
1 37 LYS 15.147 0.631 6 3 "[- .+* 1 . 2]"
1 38 ARG 12.869 0.589 17 5 "[- .** 1 . +* 2]"
1 39 ILE 12.349 0.593 13 5 "[ .*- 1 + . ** 2]"
1 40 ALA 21.246 0.672 15 13 "[ * **-* ** *+ ****]"
1 41 LEU 16.970 0.633 19 6 "[ . *1 *-*.* +2]"
1 42 GLU 0.283 0.101 1 0 "[ . 1 . 2]"
1 43 ARG 12.483 0.753 10 12 "[*****-** + * * *]"
1 44 TYR 43.736 0.836 14 19 [*********1***+******]
1 45 LEU 60.049 0.836 14 20 [*****-*******+******]
1 46 GLU 23.136 0.676 8 16 "[ ***.**+** *-***** *]"
1 47 GLU 0.578 0.116 10 0 "[ . 1 . 2]"
1 48 LYS 11.346 0.722 15 4 "[- . 1 **+ 2]"
1 49 ILE 11.229 0.722 15 3 "[- . 1 + * 2]"
1 50 ARG 0.554 0.231 6 0 "[ . 1 . 2]"
1 51 SER 0.507 0.299 19 0 "[ . 1 . 2]"
1 52 GLY 0.507 0.299 19 0 "[ . 1 . 2]"
1 53 PHE 1.433 0.561 13 1 "[ . 1 + . 2]"
1 54 LYS 2.647 0.608 8 3 "[ * . + 1 .- 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 1.916 0.396 16 0 "[ . 1 . 2]"
1 59 PHE 1.916 0.396 16 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 3.746 0.580 9 4 "[ *- +1 * . 2]"
1 62 LYS 7.417 0.625 1 7 "[+* *- *1 * . * 2]"
1 63 ALA 3.671 0.625 1 3 "[+* . 1 . - 2]"
1 64 LEU 4.165 0.448 13 0 "[ . 1 . 2]"
1 65 GLU 1.435 0.359 13 0 "[ . 1 . 2]"
1 66 GLN 0.512 0.135 1 0 "[ . 1 . 2]"
1 67 ARG 5.096 0.724 7 4 "[ * + 1 * . - 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 7.122 0.724 7 4 "[ * + 1 * . - 2]"
1 70 ILE 12.857 0.708 11 10 "[ * * - 1+***.** *2]"
1 71 LEU 6.919 0.708 11 4 "[ * 1+ .*- 2]"
1 72 LYS 0.418 0.212 18 0 "[ . 1 . 2]"
1 73 VAL 0.426 0.221 6 0 "[ . 1 . 2]"
1 74 ILE 5.999 0.705 12 6 "[ * * - 1 + *. *2]"
1 75 ASP 1.647 0.403 2 0 "[ . 1 . 2]"
1 76 LYS 1.855 0.403 2 0 "[ . 1 . 2]"
1 77 GLN 0.209 0.108 3 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 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 2 ALA MB 1 3 MET H . . 6.240 3.131 2.152 3.749 . 0 0 "[ . 1 . 2]" 1
2 1 4 ALA MB 1 5 GLN H . . 5.080 3.272 2.135 3.743 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLN HB2 1 6 THR H . . 5.810 3.779 1.964 4.618 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLN HB3 1 6 THR H . . 5.810 3.837 1.960 4.511 . 0 0 "[ . 1 . 2]" 1
5 1 6 THR H 1 6 THR MG . . 4.790 2.894 1.998 4.046 . 0 0 "[ . 1 . 2]" 1
6 1 6 THR HA 1 7 PRO HD2 . . 3.570 2.557 1.991 3.030 . 0 0 "[ . 1 . 2]" 1
7 1 6 THR HA 1 7 PRO QD . . 3.060 2.034 1.876 2.250 . 0 0 "[ . 1 . 2]" 1
8 1 6 THR HA 1 7 PRO HD3 . . 3.570 2.252 1.912 2.837 . 0 0 "[ . 1 . 2]" 1
9 1 6 THR HB 1 7 PRO HD2 . . 4.660 3.461 2.408 5.007 0.347 8 0 "[ . 1 . 2]" 1
10 1 6 THR HB 1 7 PRO QD . . 3.990 3.282 2.384 4.501 0.511 8 1 "[ . + 1 . 2]" 1
11 1 6 THR HB 1 7 PRO HD3 . . 4.660 4.202 3.358 5.100 0.440 8 0 "[ . 1 . 2]" 1
12 1 6 THR MG 1 7 PRO HD2 . . 4.680 3.580 2.076 4.324 . 0 0 "[ . 1 . 2]" 1
13 1 6 THR MG 1 7 PRO QD . . 3.900 3.294 2.058 4.063 0.163 17 0 "[ . 1 . 2]" 1
14 1 6 THR MG 1 7 PRO HD3 . . 4.680 3.993 2.968 4.936 0.256 17 0 "[ . 1 . 2]" 1
15 1 7 PRO HA 1 8 ILE H . . 3.370 2.435 2.153 3.584 0.214 12 0 "[ . 1 . 2]" 1
16 1 8 ILE H 1 8 ILE HB . . 3.920 3.273 2.542 3.887 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE H 1 8 ILE MD . . 4.280 2.785 1.712 4.346 0.066 20 0 "[ . 1 . 2]" 1
18 1 8 ILE H 1 8 ILE HG12 . . 4.270 3.103 2.091 4.041 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE H 1 8 ILE HG13 . . 4.270 3.302 1.837 4.484 0.214 3 0 "[ . 1 . 2]" 1
20 1 8 ILE H 1 8 ILE MG . . 3.970 3.404 2.051 4.135 0.165 3 0 "[ . 1 . 2]" 1
21 1 8 ILE H 1 9 ASP H . . 4.340 3.629 2.301 4.653 0.313 10 0 "[ . 1 . 2]" 1
22 1 8 ILE HA 1 8 ILE MD . . 3.660 3.113 2.155 4.042 0.382 19 0 "[ . 1 . 2]" 1
23 1 8 ILE HA 1 8 ILE MG . . 3.510 2.401 2.222 2.543 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE HA 1 9 ASP H . . 3.510 2.754 2.107 3.608 0.098 13 0 "[ . 1 . 2]" 1
25 1 8 ILE HB 1 8 ILE MD . . 3.490 2.886 2.301 3.301 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE HB 1 9 ASP H . . 4.740 3.258 1.921 4.492 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE MD 1 9 ASP H . . 4.410 4.210 3.196 4.949 0.539 11 1 "[ . 1+ . 2]" 1
28 1 8 ILE QG 1 8 ILE MG . . 3.300 2.275 2.128 2.490 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HG12 1 9 ASP H . . 5.680 4.871 3.686 5.882 0.202 19 0 "[ . 1 . 2]" 1
30 1 8 ILE HG13 1 9 ASP H . . 5.680 5.054 4.098 5.986 0.306 1 0 "[ . 1 . 2]" 1
31 1 8 ILE MG 1 9 ASP H . . 4.050 3.631 2.663 4.482 0.432 4 0 "[ . 1 . 2]" 1
32 1 9 ASP H 1 9 ASP HB2 . . 4.180 3.158 2.490 4.007 . 0 0 "[ . 1 . 2]" 1
33 1 9 ASP H 1 9 ASP HB3 . . 4.180 3.077 2.300 3.858 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP H 1 10 LEU H . . 4.620 3.273 2.110 4.619 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP HA 1 10 LEU H . . 3.520 2.971 2.186 3.580 0.060 3 0 "[ . 1 . 2]" 1
36 1 9 ASP HA 1 11 GLY H . . 5.330 4.704 3.161 5.925 0.595 19 3 "[ . * - . +2]" 1
37 1 9 ASP HB2 1 10 LEU H . . 5.480 3.825 2.541 4.622 . 0 0 "[ . 1 . 2]" 1
38 1 9 ASP HB3 1 10 LEU H . . 5.480 3.549 2.012 4.558 . 0 0 "[ . 1 . 2]" 1
39 1 10 LEU H 1 10 LEU MD1 . . 4.960 3.674 1.904 4.487 . 0 0 "[ . 1 . 2]" 1
40 1 10 LEU H 1 10 LEU QD . . 4.300 3.113 1.901 3.865 . 0 0 "[ . 1 . 2]" 1
41 1 10 LEU H 1 10 LEU MD2 . . 4.960 3.764 2.737 5.104 0.144 2 0 "[ . 1 . 2]" 1
42 1 10 LEU H 1 10 LEU HG . . 3.790 3.052 2.012 4.828 1.038 2 2 "[ + . 1 .- 2]" 1
43 1 10 LEU HA 1 10 LEU MD1 . . 4.240 3.619 1.966 3.985 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU HA 1 10 LEU QD . . 3.250 2.229 1.960 2.988 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU HA 1 10 LEU MD2 . . 4.240 2.555 2.036 3.951 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU HA 1 12 VAL H . . 5.750 4.943 3.375 6.455 0.705 16 3 "[- * 1 .+ 2]" 1
47 1 10 LEU QD 1 11 GLY H . . 4.780 4.033 3.410 4.545 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU MD1 1 11 GLY H . . 5.640 5.163 4.354 5.751 0.111 1 0 "[ . 1 . 2]" 1
49 1 10 LEU MD2 1 11 GLY H . . 5.640 4.374 3.562 5.743 0.103 3 0 "[ . 1 . 2]" 1
50 1 11 GLY H 1 12 VAL H . . 4.330 3.590 2.218 4.634 0.304 18 0 "[ . 1 . 2]" 1
51 1 12 VAL H 1 12 VAL HB . . 3.950 3.235 2.472 3.904 . 0 0 "[ . 1 . 2]" 1
52 1 12 VAL H 1 12 VAL MG1 . . 4.040 3.684 2.295 4.108 0.068 17 0 "[ . 1 . 2]" 1
53 1 12 VAL H 1 12 VAL QG . . 3.330 2.352 1.970 2.758 . 0 0 "[ . 1 . 2]" 1
54 1 12 VAL H 1 12 VAL MG2 . . 4.040 2.393 1.987 2.812 . 0 0 "[ . 1 . 2]" 1
55 1 12 VAL H 1 13 VAL H . . 4.400 3.025 1.929 4.481 0.081 19 0 "[ . 1 . 2]" 1
56 1 12 VAL HA 1 12 VAL MG1 . . 3.480 2.430 2.267 2.513 . 0 0 "[ . 1 . 2]" 1
57 1 12 VAL HA 1 12 VAL QG . . 3.030 2.228 2.184 2.372 . 0 0 "[ . 1 . 2]" 1
58 1 12 VAL HA 1 12 VAL MG2 . . 3.480 2.687 2.434 3.283 . 0 0 "[ . 1 . 2]" 1
59 1 12 VAL HB 1 13 VAL H . . 4.130 2.659 1.829 3.964 . 0 0 "[ . 1 . 2]" 1
60 1 12 VAL HB 1 13 VAL HA . . 4.090 4.389 4.177 4.663 0.573 19 1 "[ . 1 . +2]" 1
61 1 12 VAL QG 1 13 VAL H . . 3.770 2.815 1.683 3.845 0.075 9 0 "[ . 1 . 2]" 1
62 1 13 VAL H 1 13 VAL HB . . 3.950 2.962 2.444 3.690 . 0 0 "[ . 1 . 2]" 1
63 1 13 VAL H 1 13 VAL QG . . 3.490 2.005 1.856 2.161 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 14 ASN H . . 4.890 2.692 2.476 2.872 . 0 0 "[ . 1 . 2]" 1
65 1 13 VAL HA 1 13 VAL MG1 . . 3.370 2.561 2.306 3.265 . 0 0 "[ . 1 . 2]" 1
66 1 13 VAL HA 1 13 VAL MG2 . . 3.370 2.733 2.374 3.267 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL HB 1 14 ASN H . . 5.310 3.491 2.521 4.217 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL QG 1 14 ASN H . . 4.920 2.943 2.044 3.638 . 0 0 "[ . 1 . 2]" 1
69 1 14 ASN H 1 15 GLU H . . 5.690 2.806 2.531 3.224 . 0 0 "[ . 1 . 2]" 1
70 1 14 ASN HA 1 16 ASP H . . 5.090 4.154 3.897 4.578 . 0 0 "[ . 1 . 2]" 1
71 1 14 ASN QB 1 17 LYS H . . 5.440 4.998 4.524 5.271 . 0 0 "[ . 1 . 2]" 1
72 1 14 ASN HB2 1 15 GLU H . . 5.420 3.921 2.765 4.228 . 0 0 "[ . 1 . 2]" 1
73 1 14 ASN HB3 1 15 GLU H . . 5.420 3.086 2.484 4.103 . 0 0 "[ . 1 . 2]" 1
74 1 15 GLU H 1 16 ASP H . . 4.360 2.687 2.442 2.938 . 0 0 "[ . 1 . 2]" 1
75 1 15 GLU HA 1 18 LEU H . . 5.120 3.645 3.080 4.246 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLU HA 1 19 ILE H . . 5.800 5.211 4.729 5.822 0.022 4 0 "[ . 1 . 2]" 1
77 1 15 GLU HA 1 41 LEU QD . . 4.080 3.051 1.978 4.175 0.095 9 0 "[ . 1 . 2]" 1
78 1 15 GLU QB 1 16 ASP H . . 4.020 2.787 2.436 3.117 . 0 0 "[ . 1 . 2]" 1
79 1 15 GLU QB 1 41 LEU QD . . 3.890 3.000 2.318 3.687 . 0 0 "[ . 1 . 2]" 1
80 1 15 GLU HB2 1 16 ASP H . . 4.640 3.103 2.533 4.070 . 0 0 "[ . 1 . 2]" 1
81 1 15 GLU HB3 1 16 ASP H . . 4.640 3.626 2.465 4.139 . 0 0 "[ . 1 . 2]" 1
82 1 15 GLU QG 1 16 ASP H . . 4.790 4.219 3.924 4.860 0.070 19 0 "[ . 1 . 2]" 1
83 1 15 GLU QG 1 41 LEU QD . . 3.450 2.145 1.777 3.073 . 0 0 "[ . 1 . 2]" 1
84 1 16 ASP H 1 16 ASP QB . . 3.610 2.386 2.243 2.705 . 0 0 "[ . 1 . 2]" 1
85 1 16 ASP H 1 17 LYS H . . 4.160 2.504 2.279 2.748 . 0 0 "[ . 1 . 2]" 1
86 1 16 ASP H 1 18 LEU H . . 5.600 3.927 3.610 4.378 . 0 0 "[ . 1 . 2]" 1
87 1 16 ASP HA 1 19 ILE H . . 5.150 3.836 3.372 4.286 . 0 0 "[ . 1 . 2]" 1
88 1 16 ASP HA 1 19 ILE HB . . 4.580 3.675 3.329 4.082 . 0 0 "[ . 1 . 2]" 1
89 1 16 ASP HA 1 19 ILE MD . . 4.360 4.829 3.618 5.089 0.729 2 13 "[ +****** **** . -*]" 1
90 1 16 ASP HA 1 19 ILE MG . . 4.430 4.013 3.437 4.389 . 0 0 "[ . 1 . 2]" 1
91 1 16 ASP HA 1 20 GLU H . . 5.730 6.099 5.441 6.531 0.801 15 8 "[-* *. * 1 * + * *]" 1
92 1 16 ASP QB 1 19 ILE MG . . 4.290 4.521 3.953 4.902 0.612 18 7 "[ * . *-1** . *+ 2]" 1
93 1 16 ASP HB2 1 17 LYS H . . 4.730 3.187 2.363 4.036 . 0 0 "[ . 1 . 2]" 1
94 1 16 ASP HB3 1 17 LYS H . . 4.730 3.072 2.354 3.730 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS H 1 17 LYS HG2 . . 4.870 4.136 2.728 4.634 . 0 0 "[ . 1 . 2]" 1
96 1 17 LYS H 1 17 LYS HG3 . . 4.870 4.184 1.991 4.614 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS H 1 18 LEU H . . 4.240 2.671 2.489 2.868 . 0 0 "[ . 1 . 2]" 1
98 1 17 LYS H 1 18 LEU HG . . 5.040 4.540 4.176 5.193 0.153 10 0 "[ . 1 . 2]" 1
99 1 17 LYS H 1 19 ILE H . . 5.460 4.242 3.971 4.433 . 0 0 "[ . 1 . 2]" 1
100 1 17 LYS QB 1 18 LEU H . . 4.010 2.753 2.345 3.010 . 0 0 "[ . 1 . 2]" 1
101 1 17 LYS QD 1 18 LEU H . . 4.310 4.254 3.434 4.998 0.688 11 2 "[ . 1+ - . 2]" 1
102 1 17 LYS QG 1 18 LEU H . . 5.260 4.253 3.353 4.772 . 0 0 "[ . 1 . 2]" 1
103 1 17 LYS HG2 1 18 LEU H . . 6.070 4.700 3.448 5.450 . 0 0 "[ . 1 . 2]" 1
104 1 17 LYS HG3 1 18 LEU H . . 6.070 4.998 4.070 5.408 . 0 0 "[ . 1 . 2]" 1
105 1 18 LEU H 1 18 LEU QD . . 3.980 3.087 2.834 3.317 . 0 0 "[ . 1 . 2]" 1
106 1 18 LEU H 1 18 LEU HG . . 4.210 2.547 2.191 2.925 . 0 0 "[ . 1 . 2]" 1
107 1 18 LEU H 1 19 ILE H . . 4.430 2.779 2.625 2.886 . 0 0 "[ . 1 . 2]" 1
108 1 18 LEU H 1 20 GLU H . . 5.590 4.458 4.339 4.658 . 0 0 "[ . 1 . 2]" 1
109 1 18 LEU HA 1 18 LEU QD . . 3.310 2.350 1.900 3.484 0.174 15 0 "[ . 1 . 2]" 1
110 1 18 LEU HA 1 20 GLU H . . 4.710 3.746 3.409 4.082 . 0 0 "[ . 1 . 2]" 1
111 1 18 LEU HA 1 21 MET ME . . 3.710 3.427 2.948 4.105 0.395 14 0 "[ . 1 . 2]" 1
112 1 18 LEU QB 1 19 ILE H . . 4.180 3.265 2.899 3.968 . 0 0 "[ . 1 . 2]" 1
113 1 18 LEU QB 1 21 MET ME . . 4.610 3.469 1.748 4.382 . 0 0 "[ . 1 . 2]" 1
114 1 18 LEU QB 1 41 LEU QD . . 3.810 3.805 2.884 4.296 0.486 20 0 "[ . 1 . 2]" 1
115 1 18 LEU QD 1 19 ILE H . . 3.970 3.954 2.630 4.400 0.430 5 0 "[ . 1 . 2]" 1
116 1 18 LEU QD 1 21 MET H . . 5.280 4.199 3.800 4.917 . 0 0 "[ . 1 . 2]" 1
117 1 18 LEU QD 1 21 MET ME . . 3.070 2.173 1.793 3.033 . 0 0 "[ . 1 . 2]" 1
118 1 18 LEU QD 1 22 LEU H . . 5.130 3.672 3.052 4.459 . 0 0 "[ . 1 . 2]" 1
119 1 18 LEU QD 1 22 LEU HA . . 3.910 4.333 3.388 4.597 0.687 19 10 "[ * *- ** * **. *+2]" 1
120 1 18 LEU QD 1 41 LEU H . . 4.820 4.733 4.150 5.453 0.633 19 2 "[ . -1 . +2]" 1
121 1 18 LEU QD 1 44 TYR QD . . 4.240 2.833 2.566 3.138 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU QD 1 44 TYR QE . . 3.410 2.535 2.033 3.009 . 0 0 "[ . 1 . 2]" 1
123 1 18 LEU HG 1 19 ILE H . . 5.300 4.567 3.475 5.010 . 0 0 "[ . 1 . 2]" 1
124 1 19 ILE H 1 19 ILE HB . . 4.070 2.427 2.322 2.516 . 0 0 "[ . 1 . 2]" 1
125 1 19 ILE H 1 19 ILE MD . . 4.000 4.003 3.427 4.503 0.503 20 1 "[ . 1 . +]" 1
126 1 19 ILE H 1 19 ILE QG . . 4.540 4.068 2.361 4.254 . 0 0 "[ . 1 . 2]" 1
127 1 19 ILE H 1 19 ILE MG . . 4.010 2.598 2.292 3.844 . 0 0 "[ . 1 . 2]" 1
128 1 19 ILE H 1 20 GLU H . . 4.430 2.684 2.588 2.779 . 0 0 "[ . 1 . 2]" 1
129 1 19 ILE HA 1 19 ILE MD . . 4.160 2.350 1.907 3.850 . 0 0 "[ . 1 . 2]" 1
130 1 19 ILE HA 1 22 LEU H . . 5.470 4.283 3.230 4.860 . 0 0 "[ . 1 . 2]" 1
131 1 19 ILE HA 1 22 LEU QD . . 4.170 3.668 2.544 4.733 0.563 6 1 "[ .+ 1 . 2]" 1
132 1 19 ILE HB 1 19 ILE MD . . 3.580 2.473 2.382 3.277 . 0 0 "[ . 1 . 2]" 1
133 1 19 ILE HB 1 20 GLU H . . 4.490 3.883 2.922 4.055 . 0 0 "[ . 1 . 2]" 1
134 1 19 ILE MD 1 20 GLU H . . 5.220 4.819 4.729 5.070 . 0 0 "[ . 1 . 2]" 1
135 1 19 ILE MD 1 22 LEU QD . . 4.350 4.287 2.379 5.137 0.787 19 4 "[ . * 1 *-. +2]" 1
136 1 19 ILE QG 1 20 GLU H . . 5.230 4.244 3.971 4.475 . 0 0 "[ . 1 . 2]" 1
137 1 19 ILE MG 1 20 GLU H . . 4.580 2.444 2.220 3.545 . 0 0 "[ . 1 . 2]" 1
138 1 19 ILE MG 1 21 MET H . . 5.530 4.587 4.312 5.456 . 0 0 "[ . 1 . 2]" 1
139 1 20 GLU H 1 20 GLU QB . . 3.610 2.411 2.232 2.571 . 0 0 "[ . 1 . 2]" 1
140 1 20 GLU H 1 20 GLU HG2 . . 4.950 3.587 2.021 4.692 . 0 0 "[ . 1 . 2]" 1
141 1 20 GLU H 1 20 GLU QG . . 4.260 2.868 2.009 4.098 . 0 0 "[ . 1 . 2]" 1
142 1 20 GLU H 1 20 GLU HG3 . . 4.950 3.341 2.172 4.628 . 0 0 "[ . 1 . 2]" 1
143 1 20 GLU H 1 21 MET H . . 4.470 2.566 2.363 2.772 . 0 0 "[ . 1 . 2]" 1
144 1 20 GLU HA 1 23 VAL H . . 5.010 4.475 4.009 5.002 . 0 0 "[ . 1 . 2]" 1
145 1 20 GLU HA 1 23 VAL HB . . 4.340 3.671 3.382 3.981 . 0 0 "[ . 1 . 2]" 1
146 1 20 GLU HA 1 23 VAL QG . . 3.780 3.897 3.548 4.183 0.403 3 0 "[ . 1 . 2]" 1
147 1 20 GLU HA 1 24 ARG H . . 5.260 4.328 3.892 4.528 . 0 0 "[ . 1 . 2]" 1
148 1 20 GLU QB 1 21 MET H . . 4.240 2.346 2.168 2.567 . 0 0 "[ . 1 . 2]" 1
149 1 21 MET H 1 21 MET QB . . 3.690 2.266 2.171 2.320 . 0 0 "[ . 1 . 2]" 1
150 1 21 MET H 1 21 MET ME . . 4.260 4.371 3.887 4.702 0.442 4 0 "[ . 1 . 2]" 1
151 1 21 MET H 1 21 MET QG . . 4.060 4.018 3.910 4.078 0.018 17 0 "[ . 1 . 2]" 1
152 1 21 MET H 1 22 LEU H . . 4.450 2.760 2.544 3.011 . 0 0 "[ . 1 . 2]" 1
153 1 21 MET HA 1 21 MET ME . . 4.850 4.345 3.810 4.546 . 0 0 "[ . 1 . 2]" 1
154 1 21 MET HA 1 21 MET QG . . 3.690 2.496 2.400 2.661 . 0 0 "[ . 1 . 2]" 1
155 1 21 MET HA 1 23 VAL H . . 5.690 4.863 4.649 5.067 . 0 0 "[ . 1 . 2]" 1
156 1 21 MET HA 1 24 ARG H . . 5.220 3.654 3.296 4.233 . 0 0 "[ . 1 . 2]" 1
157 1 21 MET HA 1 25 THR H . . 5.540 4.389 4.235 4.663 . 0 0 "[ . 1 . 2]" 1
158 1 21 MET QB 1 21 MET ME . . 3.550 2.098 1.909 2.335 . 0 0 "[ . 1 . 2]" 1
159 1 21 MET ME 1 21 MET HG2 . . 3.500 2.689 2.381 3.446 . 0 0 "[ . 1 . 2]" 1
160 1 21 MET ME 1 21 MET QG . . 3.030 2.413 2.336 2.551 . 0 0 "[ . 1 . 2]" 1
161 1 21 MET ME 1 21 MET HG3 . . 3.500 3.188 2.500 3.420 . 0 0 "[ . 1 . 2]" 1
162 1 21 MET ME 1 22 LEU H . . 4.060 3.503 2.621 4.218 0.158 5 0 "[ . 1 . 2]" 1
163 1 21 MET ME 1 22 LEU HA . . 4.400 3.432 2.131 4.388 . 0 0 "[ . 1 . 2]" 1
164 1 21 MET ME 1 22 LEU MD1 . . 4.050 3.524 2.128 4.593 0.543 3 2 "[- + . 1 . 2]" 1
165 1 21 MET ME 1 22 LEU QD . . 3.230 2.559 1.893 3.419 0.189 10 0 "[ . 1 . 2]" 1
166 1 21 MET ME 1 22 LEU MD2 . . 4.050 3.161 2.034 4.691 0.641 10 3 "[ * + - 2]" 1
167 1 21 MET ME 1 25 THR MG . . 4.330 3.735 2.892 4.630 0.300 4 0 "[ . 1 . 2]" 1
168 1 21 MET ME 1 44 TYR QD . . 4.460 2.829 1.752 4.283 . 0 0 "[ . 1 . 2]" 1
169 1 21 MET ME 1 44 TYR QE . . 3.960 2.566 1.831 3.245 . 0 0 "[ . 1 . 2]" 1
170 1 21 MET QG 1 25 THR MG . . 3.970 3.107 2.237 4.531 0.561 4 2 "[ +. - 1 . 2]" 1
171 1 22 LEU H 1 22 LEU MD1 . . 4.430 3.659 2.602 4.057 . 0 0 "[ . 1 . 2]" 1
172 1 22 LEU H 1 22 LEU QD . . 3.860 3.013 2.232 3.691 . 0 0 "[ . 1 . 2]" 1
173 1 22 LEU H 1 22 LEU MD2 . . 4.430 3.388 2.243 4.332 . 0 0 "[ . 1 . 2]" 1
174 1 22 LEU H 1 22 LEU HG . . 4.630 3.446 2.179 4.612 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU HA 1 22 LEU MD1 . . 4.620 2.871 1.895 3.964 . 0 0 "[ . 1 . 2]" 1
176 1 22 LEU HA 1 22 LEU QD . . 3.450 2.006 1.877 2.204 . 0 0 "[ . 1 . 2]" 1
177 1 22 LEU HA 1 22 LEU MD2 . . 4.620 2.807 1.964 3.911 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU HA 1 25 THR H . . 5.180 3.687 3.415 3.932 . 0 0 "[ . 1 . 2]" 1
179 1 22 LEU HA 1 25 THR MG . . 4.480 3.994 2.709 4.576 0.096 1 0 "[ . 1 . 2]" 1
180 1 22 LEU HA 1 27 GLN H . . 5.250 4.251 3.863 5.724 0.474 17 0 "[ . 1 . 2]" 1
181 1 22 LEU HA 1 40 ALA MB . . 3.960 4.397 3.698 4.632 0.672 15 8 "[ * ***- * + * 2]" 1
182 1 22 LEU QB 1 23 VAL H . . 4.380 2.318 2.157 2.541 . 0 0 "[ . 1 . 2]" 1
183 1 22 LEU QB 1 28 ILE MD . . 3.800 3.493 2.289 4.273 0.473 15 0 "[ . 1 . 2]" 1
184 1 22 LEU QB 1 28 ILE MG . . 3.750 2.770 1.769 4.247 0.497 18 0 "[ . 1 . 2]" 1
185 1 22 LEU QD 1 23 VAL H . . 5.980 3.940 3.824 4.096 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU QD 1 23 VAL QG . . 4.280 3.993 3.509 4.500 0.220 13 0 "[ . 1 . 2]" 1
187 1 22 LEU QD 1 27 GLN H . . 5.560 4.567 3.768 5.541 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU QD 1 28 ILE H . . 4.590 4.586 3.943 5.028 0.438 18 0 "[ . 1 . 2]" 1
189 1 22 LEU QD 1 28 ILE MD . . 3.690 3.342 2.270 4.252 0.562 14 3 "[ . 1 -+. *2]" 1
190 1 22 LEU QD 1 28 ILE MG . . 3.810 3.209 2.517 3.907 0.097 8 0 "[ . 1 . 2]" 1
191 1 22 LEU QD 1 40 ALA MB . . 4.090 1.912 1.726 2.286 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QD 1 41 LEU H . . 5.560 3.117 2.429 4.319 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QD 1 41 LEU HA . . 4.260 2.639 2.191 3.428 . 0 0 "[ . 1 . 2]" 1
194 1 22 LEU QD 1 41 LEU QD . . 3.850 3.337 2.780 4.292 0.442 13 0 "[ . 1 . 2]" 1
195 1 22 LEU QD 1 44 TYR H . . 5.430 3.643 2.911 4.719 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU QD 1 44 TYR QD . . 3.760 2.984 2.582 3.306 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU QD 1 44 TYR QE . . 4.040 4.078 3.572 4.518 0.478 6 0 "[ . 1 . 2]" 1
198 1 22 LEU MD1 1 28 ILE H . . 5.710 5.129 3.992 5.812 0.102 18 0 "[ . 1 . 2]" 1
199 1 22 LEU MD1 1 28 ILE MD . . 4.570 4.060 2.436 5.146 0.576 6 1 "[ .+ 1 . 2]" 1
200 1 22 LEU MD1 1 28 ILE MG . . 4.530 3.682 2.726 5.357 0.827 5 3 "[ + 1 . * -]" 1
201 1 22 LEU MD1 1 44 TYR QD . . 4.400 3.739 3.056 4.473 0.073 9 0 "[ . 1 . 2]" 1
202 1 22 LEU MD1 1 44 TYR QE . . 4.840 4.898 3.648 5.546 0.706 12 7 "[ * *. **1 + -.* 2]" 1
203 1 22 LEU MD2 1 28 ILE H . . 5.710 5.426 4.882 6.180 0.470 19 0 "[ . 1 . 2]" 1
204 1 22 LEU MD2 1 28 ILE MD . . 4.570 4.210 2.278 5.216 0.646 13 4 "[ . * 1- +*. 2]" 1
205 1 22 LEU MD2 1 28 ILE MG . . 4.530 3.818 2.594 4.946 0.416 9 0 "[ . 1 . 2]" 1
206 1 22 LEU MD2 1 44 TYR QD . . 4.400 3.543 2.606 4.430 0.030 15 0 "[ . 1 . 2]" 1
207 1 22 LEU MD2 1 44 TYR QE . . 4.840 4.675 3.705 5.627 0.787 20 5 "[ .* 1 * -* +]" 1
208 1 23 VAL H 1 23 VAL HB . . 4.010 2.554 2.468 2.693 . 0 0 "[ . 1 . 2]" 1
209 1 23 VAL H 1 23 VAL MG1 . . 4.190 3.803 3.770 3.840 . 0 0 "[ . 1 . 2]" 1
210 1 23 VAL H 1 23 VAL QG . . 3.380 2.033 1.912 2.167 . 0 0 "[ . 1 . 2]" 1
211 1 23 VAL H 1 23 VAL MG2 . . 4.190 2.041 1.918 2.179 . 0 0 "[ . 1 . 2]" 1
212 1 23 VAL H 1 24 ARG H . . 4.300 2.718 2.601 2.879 . 0 0 "[ . 1 . 2]" 1
213 1 23 VAL HA 1 23 VAL MG1 . . 3.560 2.492 2.401 2.544 . 0 0 "[ . 1 . 2]" 1
214 1 23 VAL HA 1 23 VAL MG2 . . 3.560 2.444 2.390 2.546 . 0 0 "[ . 1 . 2]" 1
215 1 23 VAL HA 1 26 GLY H . . 5.200 3.585 3.330 3.999 . 0 0 "[ . 1 . 2]" 1
216 1 23 VAL HB 1 24 ARG H . . 4.230 2.630 2.385 2.790 . 0 0 "[ . 1 . 2]" 1
217 1 23 VAL QG 1 24 ARG H . . 4.260 3.238 3.064 3.333 . 0 0 "[ . 1 . 2]" 1
218 1 23 VAL QG 1 25 THR H . . 5.850 4.507 4.417 4.589 . 0 0 "[ . 1 . 2]" 1
219 1 23 VAL QG 1 26 GLY H . . 5.490 4.258 4.084 4.398 . 0 0 "[ . 1 . 2]" 1
220 1 23 VAL QG 1 30 ALA H . . 4.370 3.176 2.574 3.870 . 0 0 "[ . 1 . 2]" 1
221 1 23 VAL QG 1 30 ALA MB . . 3.270 2.471 1.923 3.121 . 0 0 "[ . 1 . 2]" 1
222 1 23 VAL QG 1 31 ASP H . . 5.460 4.478 4.209 4.925 . 0 0 "[ . 1 . 2]" 1
223 1 23 VAL QG 1 32 ALA H . . 5.930 4.370 3.507 4.859 . 0 0 "[ . 1 . 2]" 1
224 1 23 VAL QG 1 40 ALA MB . . 4.110 4.555 4.407 4.710 0.600 20 7 "[ *.- 1* *. **+]" 1
225 1 23 VAL MG1 1 30 ALA HA . . 3.590 2.463 1.946 3.565 . 0 0 "[ . 1 . 2]" 1
226 1 23 VAL MG2 1 30 ALA HA . . 3.590 2.899 2.080 3.500 . 0 0 "[ . 1 . 2]" 1
227 1 24 ARG H 1 24 ARG QB . . 3.590 2.298 2.175 2.470 . 0 0 "[ . 1 . 2]" 1
228 1 24 ARG H 1 24 ARG QD . . 5.480 4.064 2.346 4.775 . 0 0 "[ . 1 . 2]" 1
229 1 24 ARG H 1 24 ARG QG . . 4.900 3.429 2.357 4.065 . 0 0 "[ . 1 . 2]" 1
230 1 24 ARG H 1 25 THR H . . 4.570 2.706 2.568 2.848 . 0 0 "[ . 1 . 2]" 1
231 1 24 ARG H 1 25 THR MG . . 5.580 4.830 4.228 6.093 0.513 1 1 "[+ . 1 . 2]" 1
232 1 24 ARG H 1 26 GLY H . . 5.610 4.022 3.735 4.269 . 0 0 "[ . 1 . 2]" 1
233 1 24 ARG QD 1 25 THR H . . 6.760 4.929 3.837 5.668 . 0 0 "[ . 1 . 2]" 1
234 1 25 THR H 1 25 THR MG . . 4.140 3.025 2.359 3.896 . 0 0 "[ . 1 . 2]" 1
235 1 25 THR H 1 26 GLY H . . 4.220 2.307 2.153 2.433 . 0 0 "[ . 1 . 2]" 1
236 1 25 THR H 1 27 GLN H . . 5.630 3.600 3.386 4.014 . 0 0 "[ . 1 . 2]" 1
237 1 25 THR HA 1 25 THR MG . . 3.450 2.380 2.318 2.468 . 0 0 "[ . 1 . 2]" 1
238 1 25 THR HB 1 26 GLY H . . 5.620 4.049 3.312 4.391 . 0 0 "[ . 1 . 2]" 1
239 1 25 THR MG 1 26 GLY H . . 5.280 4.268 4.018 4.371 . 0 0 "[ . 1 . 2]" 1
240 1 25 THR MG 1 27 GLN H . . 5.390 4.524 3.574 4.898 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLY H 1 27 GLN H . . 4.220 2.566 2.383 2.705 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLY H 1 28 ILE H . . 5.240 3.952 3.589 4.169 . 0 0 "[ . 1 . 2]" 1
243 1 26 GLY QA 1 28 ILE H . . 5.540 3.553 3.178 4.027 . 0 0 "[ . 1 . 2]" 1
244 1 27 GLN H 1 27 GLN HG2 . . 4.500 3.387 2.230 4.670 0.170 18 0 "[ . 1 . 2]" 1
245 1 27 GLN H 1 27 GLN HG3 . . 4.500 3.389 2.228 4.495 . 0 0 "[ . 1 . 2]" 1
246 1 27 GLN H 1 28 ILE H . . 3.890 2.525 2.247 2.703 . 0 0 "[ . 1 . 2]" 1
247 1 27 GLN QB 1 28 ILE H . . 4.400 2.739 2.357 3.077 . 0 0 "[ . 1 . 2]" 1
248 1 27 GLN HB2 1 28 ILE H . . 5.020 3.062 2.478 3.927 . 0 0 "[ . 1 . 2]" 1
249 1 27 GLN HB3 1 28 ILE H . . 5.020 3.579 2.382 4.054 . 0 0 "[ . 1 . 2]" 1
250 1 27 GLN QG 1 28 ILE H . . 4.730 4.110 3.480 4.789 0.059 10 0 "[ . 1 . 2]" 1
251 1 27 GLN HG2 1 28 ILE H . . 5.400 4.794 4.205 5.580 0.180 10 0 "[ . 1 . 2]" 1
252 1 27 GLN HG3 1 28 ILE H . . 5.400 4.621 3.618 5.339 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE H 1 28 ILE MD . . 4.190 4.555 4.026 4.861 0.671 19 10 "[*** .- **** .* +2]" 1
254 1 28 ILE H 1 28 ILE QG . . 4.870 3.635 2.342 4.224 . 0 0 "[ . 1 . 2]" 1
255 1 28 ILE H 1 28 ILE MG . . 4.400 2.584 1.988 3.489 . 0 0 "[ . 1 . 2]" 1
256 1 28 ILE HA 1 28 ILE MD . . 3.880 3.984 3.767 4.264 0.384 5 0 "[ . 1 . 2]" 1
257 1 28 ILE HA 1 29 PRO HD2 . . 4.070 2.753 2.389 3.128 . 0 0 "[ . 1 . 2]" 1
258 1 28 ILE HA 1 29 PRO QD . . 3.470 2.043 1.908 2.218 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE HA 1 29 PRO HD3 . . 4.070 2.123 1.948 2.330 . 0 0 "[ . 1 . 2]" 1
260 1 28 ILE HB 1 28 ILE MD . . 3.340 2.464 2.382 2.664 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE HB 1 29 PRO HD2 . . 4.730 3.661 2.025 4.379 . 0 0 "[ . 1 . 2]" 1
262 1 28 ILE HB 1 29 PRO QD . . 4.090 3.379 2.005 3.927 . 0 0 "[ . 1 . 2]" 1
263 1 28 ILE HB 1 29 PRO HD3 . . 4.730 4.077 3.061 4.705 . 0 0 "[ . 1 . 2]" 1
264 1 28 ILE MD 1 29 PRO HD2 . . 4.450 3.893 3.636 4.342 . 0 0 "[ . 1 . 2]" 1
265 1 28 ILE MD 1 29 PRO QD . . 3.690 3.745 3.495 4.097 0.407 9 0 "[ . 1 . 2]" 1
266 1 28 ILE MD 1 29 PRO HD3 . . 4.450 4.896 4.486 5.155 0.705 18 8 "[ ** *** .* + -]" 1
267 1 28 ILE MD 1 32 ALA H . . 5.270 4.449 4.002 5.288 0.018 1 0 "[ . 1 . 2]" 1
268 1 28 ILE MD 1 40 ALA H . . 5.140 3.446 2.411 4.639 . 0 0 "[ . 1 . 2]" 1
269 1 28 ILE MG 1 29 PRO HD2 . . 4.130 3.926 2.934 4.469 0.339 6 0 "[ . 1 . 2]" 1
270 1 28 ILE MG 1 29 PRO QD . . 3.510 3.598 2.753 4.030 0.520 6 2 "[ .+ 1 - 2]" 1
271 1 28 ILE MG 1 29 PRO HD3 . . 4.130 4.208 3.191 4.725 0.595 16 3 "[ - . * .+ 2]" 1
272 1 28 ILE MG 1 32 ALA MB . . 3.400 3.269 2.259 4.065 0.665 10 4 "[ .* + * - 2]" 1
273 1 28 ILE MG 1 40 ALA MB . . 3.230 2.310 1.691 2.874 . 0 0 "[ . 1 . 2]" 1
274 1 29 PRO HA 1 30 ALA H . . 3.470 2.321 2.213 2.462 . 0 0 "[ . 1 . 2]" 1
275 1 29 PRO HA 1 30 ALA MB . . 4.160 4.094 4.010 4.200 0.040 20 0 "[ . 1 . 2]" 1
276 1 29 PRO HA 1 31 ASP H . . 5.120 3.988 3.695 4.268 . 0 0 "[ . 1 . 2]" 1
277 1 29 PRO HA 1 32 ALA H . . 5.920 4.806 4.509 6.679 0.759 1 1 "[+ . 1 . 2]" 1
278 1 29 PRO QB 1 31 ASP H . . 4.070 2.548 2.014 2.945 . 0 0 "[ . 1 . 2]" 1
279 1 29 PRO QB 1 32 ALA H . . 4.510 2.975 2.312 4.918 0.408 1 0 "[ . 1 . 2]" 1
280 1 29 PRO QB 1 32 ALA MB . . 3.760 3.079 2.039 4.190 0.430 4 0 "[ . 1 . 2]" 1
281 1 29 PRO HB2 1 30 ALA H . . 4.230 3.337 2.679 3.785 . 0 0 "[ . 1 . 2]" 1
282 1 29 PRO HB2 1 31 ASP H . . 4.740 2.686 2.025 3.153 . 0 0 "[ . 1 . 2]" 1
283 1 29 PRO HB3 1 30 ALA H . . 4.230 3.232 2.823 3.739 . 0 0 "[ . 1 . 2]" 1
284 1 29 PRO HB3 1 31 ASP H . . 4.740 3.460 2.967 4.367 . 0 0 "[ . 1 . 2]" 1
285 1 29 PRO QD 1 32 ALA MB . . 3.700 2.414 1.785 3.460 . 0 0 "[ . 1 . 2]" 1
286 1 29 PRO HD2 1 32 ALA MB . . 4.260 2.442 1.791 3.539 . 0 0 "[ . 1 . 2]" 1
287 1 29 PRO HD3 1 32 ALA MB . . 4.260 3.892 3.177 4.880 0.620 1 1 "[+ . 1 . 2]" 1
288 1 30 ALA H 1 31 ASP H . . 4.290 2.574 2.431 2.673 . 0 0 "[ . 1 . 2]" 1
289 1 30 ALA H 1 32 ALA MB . . 4.560 4.882 4.620 5.112 0.552 20 1 "[ . 1 . +]" 1
290 1 30 ALA HA 1 32 ALA H . . 5.380 3.862 3.409 4.286 . 0 0 "[ . 1 . 2]" 1
291 1 30 ALA MB 1 31 ASP H . . 4.000 2.925 2.591 3.131 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASP H 1 32 ALA H . . 4.080 2.605 2.396 3.903 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASP QB 1 32 ALA H . . 5.660 2.910 2.528 3.841 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASP QB 1 32 ALA MB . . 3.870 3.818 3.459 4.370 0.500 1 0 "[ . 1 . 2]" 1
295 1 31 ASP QB 1 33 SER H . . 4.640 5.119 4.487 5.388 0.748 6 14 "[*- .+ ********** *2]" 1
296 1 32 ALA H 1 33 SER H . . 5.340 4.418 3.868 4.580 . 0 0 "[ . 1 . 2]" 1
297 1 32 ALA HA 1 33 SER H . . 3.540 2.147 2.115 2.268 . 0 0 "[ . 1 . 2]" 1
298 1 32 ALA MB 1 33 SER H . . 3.780 3.230 2.862 3.620 . 0 0 "[ . 1 . 2]" 1
299 1 32 ALA MB 1 36 ASP H . . 5.340 4.282 3.994 4.672 . 0 0 "[ . 1 . 2]" 1
300 1 32 ALA MB 1 37 LYS H . . 5.070 4.097 3.155 4.559 . 0 0 "[ . 1 . 2]" 1
301 1 33 SER H 1 34 ASP H . . 5.800 4.548 4.454 4.646 . 0 0 "[ . 1 . 2]" 1
302 1 33 SER H 1 36 ASP H . . 5.260 3.810 3.333 4.194 . 0 0 "[ . 1 . 2]" 1
303 1 33 SER HA 1 35 VAL H . . 4.640 4.495 4.057 4.781 0.141 5 0 "[ . 1 . 2]" 1
304 1 33 SER HA 1 36 ASP H . . 5.120 4.718 4.413 5.125 0.005 20 0 "[ . 1 . 2]" 1
305 1 33 SER QB 1 35 VAL H . . 5.060 2.932 2.504 3.273 . 0 0 "[ . 1 . 2]" 1
306 1 33 SER QB 1 36 ASP H . . 5.400 3.391 2.827 4.084 . 0 0 "[ . 1 . 2]" 1
307 1 34 ASP H 1 35 VAL H . . 4.500 2.783 2.587 2.981 . 0 0 "[ . 1 . 2]" 1
308 1 34 ASP H 1 36 ASP H . . 5.960 4.280 3.903 4.685 . 0 0 "[ . 1 . 2]" 1
309 1 34 ASP HA 1 36 ASP H . . 5.360 4.139 3.825 4.455 . 0 0 "[ . 1 . 2]" 1
310 1 34 ASP HA 1 37 LYS H . . 5.150 3.158 2.731 3.828 . 0 0 "[ . 1 . 2]" 1
311 1 34 ASP HA 1 38 ARG H . . 5.410 4.391 3.676 5.381 . 0 0 "[ . 1 . 2]" 1
312 1 34 ASP QB 1 35 VAL H . . 4.280 3.073 2.672 3.645 . 0 0 "[ . 1 . 2]" 1
313 1 35 VAL H 1 35 VAL HB . . 3.830 2.809 2.498 3.675 . 0 0 "[ . 1 . 2]" 1
314 1 35 VAL H 1 35 VAL MG1 . . 4.110 3.525 2.292 3.893 . 0 0 "[ . 1 . 2]" 1
315 1 35 VAL H 1 35 VAL QG . . 3.270 2.004 1.895 2.179 . 0 0 "[ . 1 . 2]" 1
316 1 35 VAL H 1 35 VAL MG2 . . 4.110 2.034 1.900 2.192 . 0 0 "[ . 1 . 2]" 1
317 1 35 VAL H 1 36 ASP H . . 4.230 2.618 2.454 2.810 . 0 0 "[ . 1 . 2]" 1
318 1 35 VAL HA 1 35 VAL MG1 . . 3.660 2.441 2.355 2.512 . 0 0 "[ . 1 . 2]" 1
319 1 35 VAL HA 1 35 VAL QG . . 3.100 2.220 2.178 2.318 . 0 0 "[ . 1 . 2]" 1
320 1 35 VAL HA 1 35 VAL MG2 . . 3.660 2.634 2.395 3.275 . 0 0 "[ . 1 . 2]" 1
321 1 35 VAL HA 1 38 ARG H . . 5.080 4.079 3.646 4.614 . 0 0 "[ . 1 . 2]" 1
322 1 35 VAL HB 1 36 ASP H . . 4.320 2.972 2.548 4.095 . 0 0 "[ . 1 . 2]" 1
323 1 35 VAL QG 1 36 ASP H . . 3.800 3.128 2.242 3.441 . 0 0 "[ . 1 . 2]" 1
324 1 35 VAL MG1 1 36 ASP H . . 4.420 3.726 3.426 4.153 . 0 0 "[ . 1 . 2]" 1
325 1 35 VAL MG2 1 36 ASP H . . 4.420 3.544 2.253 4.069 . 0 0 "[ . 1 . 2]" 1
326 1 36 ASP H 1 37 LYS H . . 4.440 2.350 2.242 2.490 . 0 0 "[ . 1 . 2]" 1
327 1 36 ASP HA 1 38 ARG H . . 5.880 4.102 3.870 4.377 . 0 0 "[ . 1 . 2]" 1
328 1 36 ASP HA 1 39 ILE H . . 5.020 3.342 2.902 3.870 . 0 0 "[ . 1 . 2]" 1
329 1 36 ASP HA 1 39 ILE HB . . 4.370 3.295 2.564 4.102 . 0 0 "[ . 1 . 2]" 1
330 1 36 ASP HA 1 39 ILE MD . . 3.840 3.491 1.833 4.338 0.498 20 0 "[ . 1 . 2]" 1
331 1 36 ASP HA 1 39 ILE MG . . 4.390 4.418 3.837 4.983 0.593 13 2 "[ . - 1 + . 2]" 1
332 1 36 ASP HA 1 40 ALA H . . 5.700 4.764 4.145 5.516 . 0 0 "[ . 1 . 2]" 1
333 1 36 ASP HB2 1 37 LYS H . . 5.370 3.005 2.560 3.864 . 0 0 "[ . 1 . 2]" 1
334 1 36 ASP HB3 1 37 LYS H . . 5.370 3.798 2.592 4.110 . 0 0 "[ . 1 . 2]" 1
335 1 37 LYS H 1 37 LYS HD2 . . 4.640 4.669 2.770 5.117 0.477 10 0 "[ . 1 . 2]" 1
336 1 37 LYS H 1 37 LYS QD . . 4.050 4.063 2.256 4.454 0.404 18 0 "[ . 1 . 2]" 1
337 1 37 LYS H 1 37 LYS HD3 . . 4.640 4.528 2.390 5.271 0.631 6 1 "[ .+ 1 . 2]" 1
338 1 37 LYS H 1 37 LYS QG . . 4.810 3.666 2.186 4.111 . 0 0 "[ . 1 . 2]" 1
339 1 37 LYS H 1 38 ARG H . . 4.390 2.762 2.573 3.003 . 0 0 "[ . 1 . 2]" 1
340 1 37 LYS QB 1 38 ARG H . . 3.920 2.964 2.445 3.723 . 0 0 "[ . 1 . 2]" 1
341 1 37 LYS QD 1 38 ARG H . . 4.210 3.701 2.716 4.649 0.439 10 0 "[ . 1 . 2]" 1
342 1 37 LYS HD2 1 38 ARG H . . 4.990 4.565 2.783 5.533 0.543 7 2 "[- . + 1 . 2]" 1
343 1 37 LYS HD3 1 38 ARG H . . 4.990 4.100 2.764 5.183 0.193 11 0 "[ . 1 . 2]" 1
344 1 37 LYS QG 1 38 ARG H . . 5.420 3.593 2.454 4.561 . 0 0 "[ . 1 . 2]" 1
345 1 38 ARG H 1 38 ARG QB . . 3.700 2.453 2.170 2.798 . 0 0 "[ . 1 . 2]" 1
346 1 38 ARG H 1 39 ILE H . . 4.410 2.674 2.499 2.824 . 0 0 "[ . 1 . 2]" 1
347 1 38 ARG H 1 41 LEU H . . 6.010 4.644 4.477 4.805 . 0 0 "[ . 1 . 2]" 1
348 1 38 ARG HA 1 40 ALA H . . 5.430 4.463 4.207 4.809 . 0 0 "[ . 1 . 2]" 1
349 1 38 ARG QB 1 40 ALA H . . 5.050 5.155 4.661 5.548 0.498 12 0 "[ . 1 . 2]" 1
350 1 38 ARG HB2 1 39 ILE H . . 4.710 4.055 3.820 4.266 . 0 0 "[ . 1 . 2]" 1
351 1 38 ARG HB3 1 39 ILE H . . 4.710 3.670 2.682 4.403 . 0 0 "[ . 1 . 2]" 1
352 1 38 ARG QD 1 39 ILE MG . . 4.300 4.444 4.114 4.889 0.589 17 3 "[ .* 1 . +- 2]" 1
353 1 38 ARG QG 1 39 ILE H . . 4.240 3.423 1.925 4.561 0.321 18 0 "[ . 1 . 2]" 1
354 1 39 ILE H 1 39 ILE HB . . 4.050 2.519 2.403 2.664 . 0 0 "[ . 1 . 2]" 1
355 1 39 ILE H 1 39 ILE MD . . 4.260 3.411 2.953 3.675 . 0 0 "[ . 1 . 2]" 1
356 1 39 ILE H 1 39 ILE HG12 . . 4.590 2.600 2.080 3.726 . 0 0 "[ . 1 . 2]" 1
357 1 39 ILE H 1 39 ILE HG13 . . 4.590 3.223 2.106 3.727 . 0 0 "[ . 1 . 2]" 1
358 1 39 ILE H 1 39 ILE MG . . 4.080 3.812 3.778 3.838 . 0 0 "[ . 1 . 2]" 1
359 1 39 ILE H 1 40 ALA H . . 4.350 2.540 2.275 2.837 . 0 0 "[ . 1 . 2]" 1
360 1 39 ILE H 1 40 ALA MB . . 5.470 4.205 3.886 4.525 . 0 0 "[ . 1 . 2]" 1
361 1 39 ILE HA 1 39 ILE MD . . 4.200 2.691 2.090 3.933 . 0 0 "[ . 1 . 2]" 1
362 1 39 ILE HA 1 39 ILE MG . . 3.610 2.504 2.410 2.585 . 0 0 "[ . 1 . 2]" 1
363 1 39 ILE HA 1 41 LEU H . . 5.570 4.369 4.095 4.920 . 0 0 "[ . 1 . 2]" 1
364 1 39 ILE HA 1 42 GLU H . . 5.120 3.617 3.207 4.334 . 0 0 "[ . 1 . 2]" 1
365 1 39 ILE HB 1 39 ILE MD . . 3.220 3.038 2.413 3.298 0.078 17 0 "[ . 1 . 2]" 1
366 1 39 ILE HB 1 40 ALA H . . 4.400 2.555 2.359 2.920 . 0 0 "[ . 1 . 2]" 1
367 1 39 ILE HB 1 40 ALA MB . . 4.040 3.867 3.628 4.061 0.021 5 0 "[ . 1 . 2]" 1
368 1 39 ILE HB 1 41 LEU H . . 5.650 4.881 4.685 5.260 . 0 0 "[ . 1 . 2]" 1
369 1 39 ILE HB 1 42 GLU H . . 6.010 5.628 5.378 6.111 0.101 1 0 "[ . 1 . 2]" 1
370 1 39 ILE QG 1 40 ALA H . . 5.110 3.962 3.784 4.089 . 0 0 "[ . 1 . 2]" 1
371 1 39 ILE MG 1 40 ALA H . . 4.160 3.441 3.215 3.777 . 0 0 "[ . 1 . 2]" 1
372 1 39 ILE MG 1 40 ALA HA . . 4.370 3.626 3.405 3.908 . 0 0 "[ . 1 . 2]" 1
373 1 40 ALA H 1 40 ALA MB . . 3.480 2.235 2.185 2.306 . 0 0 "[ . 1 . 2]" 1
374 1 40 ALA H 1 41 LEU H . . 4.350 2.546 2.405 2.717 . 0 0 "[ . 1 . 2]" 1
375 1 40 ALA H 1 42 GLU H . . 5.650 4.125 3.789 4.460 . 0 0 "[ . 1 . 2]" 1
376 1 40 ALA H 1 43 ARG H . . 5.600 4.884 4.405 5.522 . 0 0 "[ . 1 . 2]" 1
377 1 40 ALA HA 1 42 GLU H . . 5.460 4.393 3.888 4.837 . 0 0 "[ . 1 . 2]" 1
378 1 40 ALA HA 1 43 ARG H . . 4.300 3.454 3.073 3.925 . 0 0 "[ . 1 . 2]" 1
379 1 40 ALA MB 1 41 LEU H . . 3.870 2.704 2.217 2.996 . 0 0 "[ . 1 . 2]" 1
380 1 40 ALA MB 1 43 ARG H . . 5.880 4.637 4.259 4.953 . 0 0 "[ . 1 . 2]" 1
381 1 41 LEU H 1 41 LEU MD1 . . 4.340 4.201 3.615 4.350 0.010 9 0 "[ . 1 . 2]" 1
382 1 41 LEU H 1 41 LEU MD2 . . 4.340 4.284 3.539 4.414 0.074 18 0 "[ . 1 . 2]" 1
383 1 41 LEU H 1 41 LEU HG . . 4.370 4.312 2.347 4.646 0.276 9 0 "[ . 1 . 2]" 1
384 1 41 LEU H 1 43 ARG H . . 5.340 4.133 3.773 4.684 . 0 0 "[ . 1 . 2]" 1
385 1 41 LEU HA 1 41 LEU MD1 . . 4.100 3.334 2.205 3.911 . 0 0 "[ . 1 . 2]" 1
386 1 41 LEU HA 1 41 LEU QD . . 3.390 2.674 2.049 3.503 0.113 10 0 "[ . 1 . 2]" 1
387 1 41 LEU HA 1 41 LEU MD2 . . 4.100 3.286 2.070 4.182 0.082 10 0 "[ . 1 . 2]" 1
388 1 41 LEU HA 1 44 TYR H . . 4.860 3.461 3.100 4.048 . 0 0 "[ . 1 . 2]" 1
389 1 41 LEU QB 1 42 GLU H . . 4.110 2.630 2.261 3.729 . 0 0 "[ . 1 . 2]" 1
390 1 41 LEU HB2 1 42 GLU H . . 4.940 3.784 3.321 4.134 . 0 0 "[ . 1 . 2]" 1
391 1 41 LEU HB3 1 42 GLU H . . 4.940 2.702 2.301 4.243 . 0 0 "[ . 1 . 2]" 1
392 1 41 LEU QD 1 42 GLU H . . 4.660 3.620 2.636 4.099 . 0 0 "[ . 1 . 2]" 1
393 1 41 LEU QD 1 43 ARG H . . 5.060 5.085 4.690 5.515 0.455 19 0 "[ . 1 . 2]" 1
394 1 41 LEU QD 1 44 TYR H . . 5.000 4.716 4.011 5.160 0.160 2 0 "[ . 1 . 2]" 1
395 1 41 LEU QD 1 44 TYR QD . . 4.220 2.565 1.822 3.949 . 0 0 "[ . 1 . 2]" 1
396 1 41 LEU QD 1 45 LEU H . . 4.180 3.629 2.961 4.496 0.316 10 0 "[ . 1 . 2]" 1
397 1 41 LEU QD 1 45 LEU HG . . 3.650 3.886 3.475 4.231 0.581 16 4 "[ . 1 *-*.+ 2]" 1
398 1 41 LEU HG 1 42 GLU H . . 5.260 4.492 2.958 5.234 . 0 0 "[ . 1 . 2]" 1
399 1 42 GLU H 1 42 GLU HB2 . . 4.200 2.530 2.426 2.667 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLU H 1 42 GLU HB3 . . 4.200 3.179 2.387 3.668 . 0 0 "[ . 1 . 2]" 1
401 1 42 GLU H 1 42 GLU HG2 . . 4.510 3.764 2.160 4.579 0.069 8 0 "[ . 1 . 2]" 1
402 1 42 GLU H 1 42 GLU HG3 . . 4.510 3.297 2.144 4.573 0.063 10 0 "[ . 1 . 2]" 1
403 1 42 GLU H 1 43 ARG H . . 4.300 2.755 2.582 2.990 . 0 0 "[ . 1 . 2]" 1
404 1 42 GLU HA 1 42 GLU QG . . 3.740 2.590 2.320 3.136 . 0 0 "[ . 1 . 2]" 1
405 1 42 GLU HA 1 45 LEU H . . 5.140 3.903 3.054 4.567 . 0 0 "[ . 1 . 2]" 1
406 1 42 GLU HB2 1 43 ARG H . . 4.670 3.078 2.245 3.995 . 0 0 "[ . 1 . 2]" 1
407 1 42 GLU HB3 1 43 ARG H . . 4.670 3.169 2.118 4.009 . 0 0 "[ . 1 . 2]" 1
408 1 42 GLU QG 1 43 ARG H . . 5.640 3.899 3.305 4.233 . 0 0 "[ . 1 . 2]" 1
409 1 43 ARG H 1 43 ARG QB . . 3.480 2.331 2.138 2.643 . 0 0 "[ . 1 . 2]" 1
410 1 43 ARG H 1 43 ARG HG2 . . 4.900 3.594 2.041 4.673 . 0 0 "[ . 1 . 2]" 1
411 1 43 ARG H 1 43 ARG QG . . 4.070 3.102 2.029 4.101 0.031 20 0 "[ . 1 . 2]" 1
412 1 43 ARG H 1 43 ARG HG3 . . 4.900 3.767 2.248 4.572 . 0 0 "[ . 1 . 2]" 1
413 1 43 ARG HA 1 43 ARG QD . . 4.210 3.301 2.043 4.319 0.109 14 0 "[ . 1 . 2]" 1
414 1 43 ARG HA 1 43 ARG QG . . 3.630 2.669 2.373 3.174 . 0 0 "[ . 1 . 2]" 1
415 1 43 ARG HA 1 46 GLU H . . 4.910 3.932 3.588 4.405 . 0 0 "[ . 1 . 2]" 1
416 1 43 ARG HA 1 47 GLU H . . 5.550 4.107 3.385 4.516 . 0 0 "[ . 1 . 2]" 1
417 1 43 ARG QB 1 43 ARG QD . . 3.290 2.431 2.147 2.842 . 0 0 "[ . 1 . 2]" 1
418 1 43 ARG QB 1 45 LEU H . . 4.310 4.824 4.519 5.063 0.753 10 12 "[*****-** + * * *]" 1
419 1 44 TYR H 1 44 TYR QD . . 4.800 4.004 3.427 4.255 . 0 0 "[ . 1 . 2]" 1
420 1 44 TYR H 1 45 LEU H . . 4.310 2.857 2.736 3.020 . 0 0 "[ . 1 . 2]" 1
421 1 44 TYR HA 1 44 TYR QD . . 3.600 3.109 2.772 3.438 . 0 0 "[ . 1 . 2]" 1
422 1 44 TYR HA 1 44 TYR QE . . 4.860 5.053 4.739 5.385 0.525 17 2 "[ . 1 . + -]" 1
423 1 44 TYR HA 1 47 GLU H . . 5.390 3.939 3.525 4.552 . 0 0 "[ . 1 . 2]" 1
424 1 44 TYR HA 1 48 LYS H . . 5.630 4.284 3.825 4.608 . 0 0 "[ . 1 . 2]" 1
425 1 44 TYR HB2 1 45 LEU H . . 5.030 4.009 3.721 4.289 . 0 0 "[ . 1 . 2]" 1
426 1 44 TYR HB3 1 45 LEU H . . 5.030 2.761 2.281 3.272 . 0 0 "[ . 1 . 2]" 1
427 1 44 TYR QD 1 45 LEU HA . . 4.290 3.293 2.390 3.930 . 0 0 "[ . 1 . 2]" 1
428 1 44 TYR QD 1 45 LEU QB . . 4.660 2.712 2.047 3.386 . 0 0 "[ . 1 . 2]" 1
429 1 44 TYR QD 1 45 LEU QD . . 3.960 3.075 2.513 3.688 . 0 0 "[ . 1 . 2]" 1
430 1 44 TYR QD 1 45 LEU HG . . 3.930 4.267 3.636 4.766 0.836 14 8 "[ * *1***+.* -2]" 1
431 1 44 TYR QD 1 48 LYS QG . . 4.770 4.359 2.703 5.438 0.668 13 2 "[ . 1 +-. 2]" 1
432 1 44 TYR QE 1 45 LEU HA . . 4.900 3.770 3.458 4.154 . 0 0 "[ . 1 . 2]" 1
433 1 44 TYR QE 1 45 LEU QB . . 4.280 3.464 2.843 4.575 0.295 12 0 "[ . 1 . 2]" 1
434 1 44 TYR QE 1 45 LEU QD . . 3.630 3.357 2.256 4.187 0.557 3 1 "[ + . 1 . 2]" 1
435 1 44 TYR QE 1 45 LEU HG . . 4.710 5.249 4.980 5.474 0.764 3 13 "[**+*.*** 1* -* ***2]" 1
436 1 44 TYR QE 1 48 LYS QG . . 4.490 3.569 2.732 4.952 0.462 13 0 "[ . 1 . 2]" 1
437 1 44 TYR QE 1 53 PHE QD . . 4.860 4.161 2.061 5.421 0.561 13 1 "[ . 1 + . 2]" 1
438 1 45 LEU H 1 45 LEU MD1 . . 4.300 3.754 3.504 4.096 . 0 0 "[ . 1 . 2]" 1
439 1 45 LEU H 1 45 LEU QD . . 3.690 3.310 2.970 3.765 0.075 5 0 "[ . 1 . 2]" 1
440 1 45 LEU H 1 45 LEU MD2 . . 4.300 3.728 3.168 4.394 0.094 5 0 "[ . 1 . 2]" 1
441 1 45 LEU H 1 46 GLU H . . 4.630 2.491 2.331 2.597 . 0 0 "[ . 1 . 2]" 1
442 1 45 LEU HA 1 45 LEU QD . . 3.370 2.933 1.987 3.523 0.153 15 0 "[ . 1 . 2]" 1
443 1 45 LEU QB 1 46 GLU H . . 4.310 3.277 2.667 3.696 . 0 0 "[ . 1 . 2]" 1
444 1 45 LEU QB 1 46 GLU HA . . 3.900 4.384 4.178 4.576 0.676 8 10 "[ -**.* + * * ** *]" 1
445 1 45 LEU QD 1 46 GLU H . . 5.010 3.243 2.454 4.255 . 0 0 "[ . 1 . 2]" 1
446 1 45 LEU HG 1 46 GLU HA . . 4.110 4.630 4.439 4.726 0.616 3 13 "[ +*.****1 *-*** * *]" 1
447 1 46 GLU H 1 46 GLU HG2 . . 4.700 4.115 2.253 4.641 . 0 0 "[ . 1 . 2]" 1
448 1 46 GLU H 1 46 GLU HG3 . . 4.700 4.311 2.130 4.672 . 0 0 "[ . 1 . 2]" 1
449 1 46 GLU H 1 47 GLU H . . 4.330 2.646 2.378 2.844 . 0 0 "[ . 1 . 2]" 1
450 1 46 GLU HA 1 49 ILE MD . . 4.230 3.702 1.996 4.796 0.566 18 1 "[ . 1 . + 2]" 1
451 1 46 GLU QB 1 47 GLU H . . 3.670 2.393 2.102 2.740 . 0 0 "[ . 1 . 2]" 1
452 1 46 GLU HB2 1 47 GLU H . . 4.510 3.513 2.415 4.017 . 0 0 "[ . 1 . 2]" 1
453 1 46 GLU HB3 1 47 GLU H . . 4.510 2.653 2.118 3.865 . 0 0 "[ . 1 . 2]" 1
454 1 46 GLU QG 1 47 GLU H . . 4.640 3.713 3.045 4.259 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU H 1 47 GLU HG2 . . 4.580 3.701 2.178 4.637 0.057 10 0 "[ . 1 . 2]" 1
456 1 47 GLU H 1 47 GLU QG . . 3.970 3.028 1.974 4.086 0.116 10 0 "[ . 1 . 2]" 1
457 1 47 GLU H 1 47 GLU HG3 . . 4.580 3.550 1.987 4.545 . 0 0 "[ . 1 . 2]" 1
458 1 47 GLU HA 1 50 ARG H . . 5.140 3.736 3.128 4.269 . 0 0 "[ . 1 . 2]" 1
459 1 48 LYS H 1 48 LYS QG . . 4.140 3.568 2.003 4.105 . 0 0 "[ . 1 . 2]" 1
460 1 48 LYS HA 1 48 LYS QD . . 3.940 3.061 1.919 4.313 0.373 13 0 "[ . 1 . 2]" 1
461 1 48 LYS HA 1 51 SER H . . 4.100 3.265 2.549 3.789 . 0 0 "[ . 1 . 2]" 1
462 1 48 LYS QB 1 48 LYS QD . . 3.290 2.399 2.127 2.961 . 0 0 "[ . 1 . 2]" 1
463 1 48 LYS QB 1 49 ILE H . . 3.680 3.084 2.525 3.869 0.189 16 0 "[ . 1 . 2]" 1
464 1 48 LYS QD 1 49 ILE H . . 4.770 4.543 2.583 5.253 0.483 14 0 "[ . 1 . 2]" 1
465 1 48 LYS QG 1 49 ILE H . . 4.060 4.077 2.955 4.782 0.722 15 2 "[- . 1 + 2]" 1
466 1 49 ILE H 1 49 ILE HB . . 4.090 2.750 2.317 3.782 . 0 0 "[ . 1 . 2]" 1
467 1 49 ILE H 1 49 ILE MD . . 4.390 3.827 3.164 4.542 0.152 4 0 "[ . 1 . 2]" 1
468 1 49 ILE H 1 49 ILE HG12 . . 4.600 3.290 2.158 4.694 0.094 1 0 "[ . 1 . 2]" 1
469 1 49 ILE H 1 49 ILE QG . . 4.010 2.757 2.001 4.045 0.035 1 0 "[ . 1 . 2]" 1
470 1 49 ILE H 1 49 ILE HG13 . . 4.600 3.471 2.019 4.416 . 0 0 "[ . 1 . 2]" 1
471 1 49 ILE H 1 49 ILE MG . . 4.150 3.116 2.070 3.869 . 0 0 "[ . 1 . 2]" 1
472 1 49 ILE H 1 50 ARG H . . 4.290 2.613 2.309 2.818 . 0 0 "[ . 1 . 2]" 1
473 1 49 ILE HA 1 49 ILE MD . . 4.380 3.505 2.066 4.282 . 0 0 "[ . 1 . 2]" 1
474 1 49 ILE HA 1 49 ILE MG . . 3.640 2.722 2.381 3.278 . 0 0 "[ . 1 . 2]" 1
475 1 49 ILE HB 1 49 ILE MD . . 3.540 2.685 2.403 3.290 . 0 0 "[ . 1 . 2]" 1
476 1 49 ILE HB 1 50 ARG H . . 4.400 3.590 2.848 4.360 . 0 0 "[ . 1 . 2]" 1
477 1 49 ILE MD 1 50 ARG H . . 5.350 4.859 4.144 5.210 . 0 0 "[ . 1 . 2]" 1
478 1 49 ILE QG 1 49 ILE MG . . 3.040 2.379 2.318 2.444 . 0 0 "[ . 1 . 2]" 1
479 1 49 ILE QG 1 50 ARG H . . 4.560 3.936 2.473 4.428 . 0 0 "[ . 1 . 2]" 1
480 1 49 ILE HG12 1 49 ILE MG . . 3.570 2.660 2.390 3.253 . 0 0 "[ . 1 . 2]" 1
481 1 49 ILE HG13 1 49 ILE MG . . 3.570 3.035 2.375 3.276 . 0 0 "[ . 1 . 2]" 1
482 1 49 ILE MG 1 50 ARG H . . 3.960 3.463 2.392 4.191 0.231 6 0 "[ . 1 . 2]" 1
483 1 50 ARG H 1 50 ARG QB . . 3.610 2.337 2.181 2.569 . 0 0 "[ . 1 . 2]" 1
484 1 50 ARG H 1 50 ARG QD . . 5.570 3.729 2.053 4.737 . 0 0 "[ . 1 . 2]" 1
485 1 50 ARG H 1 50 ARG QG . . 4.620 3.470 2.263 4.116 . 0 0 "[ . 1 . 2]" 1
486 1 50 ARG H 1 51 SER H . . 4.340 2.519 2.312 2.821 . 0 0 "[ . 1 . 2]" 1
487 1 50 ARG QB 1 50 ARG QD . . 3.120 2.356 2.178 2.692 . 0 0 "[ . 1 . 2]" 1
488 1 50 ARG QD 1 51 SER H . . 5.900 4.833 3.631 5.764 . 0 0 "[ . 1 . 2]" 1
489 1 50 ARG QG 1 51 SER H . . 5.290 4.265 2.574 4.845 . 0 0 "[ . 1 . 2]" 1
490 1 51 SER H 1 52 GLY H . . 4.200 3.080 1.786 4.499 0.299 19 0 "[ . 1 . 2]" 1
491 1 53 PHE H 1 53 PHE QB . . 3.600 2.712 2.280 3.363 . 0 0 "[ . 1 . 2]" 1
492 1 53 PHE H 1 53 PHE QD . . 5.110 3.371 1.849 4.537 . 0 0 "[ . 1 . 2]" 1
493 1 53 PHE H 1 54 LYS H . . 5.040 3.725 2.321 4.632 . 0 0 "[ . 1 . 2]" 1
494 1 54 LYS H 1 54 LYS QD . . 4.620 4.336 2.587 5.228 0.608 8 3 "[ * . + 1 .- 2]" 1
495 1 54 LYS H 1 54 LYS QG . . 4.940 3.246 1.965 4.497 . 0 0 "[ . 1 . 2]" 1
496 1 54 LYS H 1 55 GLY H . . 5.740 3.900 1.876 4.656 . 0 0 "[ . 1 . 2]" 1
497 1 55 GLY H 1 56 ASP H . . 5.230 3.522 1.998 4.633 . 0 0 "[ . 1 . 2]" 1
498 1 56 ASP QB 1 57 ALA H . . 4.200 3.645 2.150 4.074 . 0 0 "[ . 1 . 2]" 1
499 1 56 ASP HB2 1 57 ALA H . . 4.870 4.068 2.165 4.635 . 0 0 "[ . 1 . 2]" 1
500 1 56 ASP HB3 1 57 ALA H . . 4.870 4.205 3.665 4.607 . 0 0 "[ . 1 . 2]" 1
501 1 57 ALA MB 1 58 GLN H . . 4.520 2.925 1.917 3.678 . 0 0 "[ . 1 . 2]" 1
502 1 58 GLN H 1 59 PHE H . . 4.190 3.674 2.108 4.586 0.396 16 0 "[ . 1 . 2]" 1
503 1 58 GLN QG 1 59 PHE H . . 5.350 3.675 2.492 4.939 . 0 0 "[ . 1 . 2]" 1
504 1 59 PHE H 1 59 PHE QD . . 5.120 3.858 2.462 4.623 . 0 0 "[ . 1 . 2]" 1
505 1 59 PHE H 1 60 GLY H . . 4.850 4.042 2.616 4.566 . 0 0 "[ . 1 . 2]" 1
506 1 59 PHE HB2 1 60 GLY H . . 5.570 4.053 2.193 4.597 . 0 0 "[ . 1 . 2]" 1
507 1 59 PHE HB3 1 60 GLY H . . 5.570 3.601 2.115 4.537 . 0 0 "[ . 1 . 2]" 1
508 1 61 LYS H 1 61 LYS QG . . 5.050 3.305 2.279 4.565 . 0 0 "[ . 1 . 2]" 1
509 1 61 LYS H 1 62 LYS H . . 4.570 4.034 2.149 4.580 0.010 1 0 "[ . 1 . 2]" 1
510 1 61 LYS QB 1 62 LYS H . . 3.990 3.096 1.902 4.081 0.091 13 0 "[ . 1 . 2]" 1
511 1 61 LYS QD 1 62 LYS H . . 5.140 4.485 2.358 5.720 0.580 9 3 "[ -. +1 * . 2]" 1
512 1 61 LYS QG 1 62 LYS H . . 4.460 3.551 1.847 4.745 0.285 5 0 "[ . 1 . 2]" 1
513 1 61 LYS HG2 1 62 LYS H . . 5.070 4.164 1.891 5.189 0.119 9 0 "[ . 1 . 2]" 1
514 1 61 LYS HG3 1 62 LYS H . . 5.070 4.012 2.589 5.584 0.514 5 1 "[ + 1 . 2]" 1
515 1 62 LYS H 1 63 ALA H . . 4.630 3.112 1.737 4.490 . 0 0 "[ . 1 . 2]" 1
516 1 62 LYS QB 1 63 ALA H . . 4.460 3.791 2.828 4.066 . 0 0 "[ . 1 . 2]" 1
517 1 62 LYS QD 1 63 ALA H . . 5.470 5.207 2.625 6.095 0.625 1 3 "[+* . 1 . - 2]" 1
518 1 62 LYS QG 1 63 ALA H . . 4.870 4.177 3.088 4.971 0.101 18 0 "[ . 1 . 2]" 1
519 1 63 ALA H 1 63 ALA MB . . 3.520 2.251 2.137 2.336 . 0 0 "[ . 1 . 2]" 1
520 1 63 ALA MB 1 64 LEU H . . 4.250 2.933 2.368 3.293 . 0 0 "[ . 1 . 2]" 1
521 1 63 ALA MB 1 65 GLU H . . 5.450 4.734 4.261 5.282 . 0 0 "[ . 1 . 2]" 1
522 1 64 LEU H 1 64 LEU QB . . 3.580 2.388 2.130 2.737 . 0 0 "[ . 1 . 2]" 1
523 1 64 LEU H 1 64 LEU QD . . 4.200 2.915 1.763 3.854 . 0 0 "[ . 1 . 2]" 1
524 1 64 LEU H 1 64 LEU HG . . 4.100 3.538 2.007 4.548 0.448 13 0 "[ . 1 . 2]" 1
525 1 64 LEU H 1 65 GLU H . . 4.150 2.711 2.427 3.250 . 0 0 "[ . 1 . 2]" 1
526 1 64 LEU H 1 65 GLU QB . . 5.340 4.838 4.368 5.598 0.258 13 0 "[ . 1 . 2]" 1
527 1 64 LEU HA 1 64 LEU MD1 . . 3.860 3.269 2.016 3.944 0.084 5 0 "[ . 1 . 2]" 1
528 1 64 LEU HA 1 64 LEU QD . . 3.300 2.612 1.977 3.470 0.170 8 0 "[ . 1 . 2]" 1
529 1 64 LEU HA 1 64 LEU MD2 . . 3.860 3.208 2.026 4.188 0.328 11 0 "[ . 1 . 2]" 1
530 1 64 LEU HA 1 64 LEU HG . . 3.990 3.081 2.577 3.843 . 0 0 "[ . 1 . 2]" 1
531 1 64 LEU QB 1 65 GLU H . . 4.230 2.685 2.077 3.787 . 0 0 "[ . 1 . 2]" 1
532 1 64 LEU HB2 1 65 GLU H . . 4.820 3.219 2.188 4.097 . 0 0 "[ . 1 . 2]" 1
533 1 64 LEU HB3 1 65 GLU H . . 4.820 3.316 2.096 4.460 . 0 0 "[ . 1 . 2]" 1
534 1 64 LEU QD 1 65 GLU H . . 5.180 3.556 2.091 4.268 . 0 0 "[ . 1 . 2]" 1
535 1 65 GLU H 1 65 GLU QB . . 3.530 2.877 2.228 3.428 . 0 0 "[ . 1 . 2]" 1
536 1 65 GLU H 1 65 GLU HG2 . . 4.850 3.935 2.271 4.933 0.083 7 0 "[ . 1 . 2]" 1
537 1 65 GLU H 1 65 GLU QG . . 4.210 3.399 2.211 4.264 0.054 15 0 "[ . 1 . 2]" 1
538 1 65 GLU H 1 65 GLU HG3 . . 4.850 3.989 2.379 5.209 0.359 13 0 "[ . 1 . 2]" 1
539 1 65 GLU HA 1 65 GLU HG2 . . 4.120 3.099 2.535 3.855 . 0 0 "[ . 1 . 2]" 1
540 1 65 GLU HA 1 65 GLU QG . . 3.540 2.690 2.417 3.421 . 0 0 "[ . 1 . 2]" 1
541 1 65 GLU HA 1 65 GLU HG3 . . 4.120 3.115 2.542 3.861 . 0 0 "[ . 1 . 2]" 1
542 1 65 GLU QB 1 66 GLN H . . 3.940 3.375 1.936 4.075 0.135 1 0 "[ . 1 . 2]" 1
543 1 65 GLU QG 1 66 GLN H . . 4.980 3.795 2.167 4.945 . 0 0 "[ . 1 . 2]" 1
544 1 66 GLN H 1 66 GLN QB . . 3.680 2.657 2.275 3.291 . 0 0 "[ . 1 . 2]" 1
545 1 66 GLN HB2 1 67 ARG H . . 4.870 3.888 1.977 4.593 . 0 0 "[ . 1 . 2]" 1
546 1 66 GLN HB3 1 67 ARG H . . 4.870 3.442 1.871 4.541 . 0 0 "[ . 1 . 2]" 1
547 1 66 GLN QG 1 67 ARG H . . 5.630 3.437 1.870 4.551 . 0 0 "[ . 1 . 2]" 1
548 1 67 ARG H 1 67 ARG QG . . 4.670 3.051 1.923 4.492 . 0 0 "[ . 1 . 2]" 1
549 1 67 ARG QB 1 69 LYS H . . 4.020 4.143 3.073 4.744 0.724 7 4 "[ * + 1 * . - 2]" 1
550 1 67 ARG HB2 1 68 ALA H . . 4.930 3.991 2.617 4.663 . 0 0 "[ . 1 . 2]" 1
551 1 67 ARG HB3 1 68 ALA H . . 4.930 3.762 2.236 4.658 . 0 0 "[ . 1 . 2]" 1
552 1 67 ARG QG 1 68 ALA H . . 5.300 3.978 2.534 4.885 . 0 0 "[ . 1 . 2]" 1
553 1 68 ALA H 1 68 ALA MB . . 3.620 2.460 2.242 2.935 . 0 0 "[ . 1 . 2]" 1
554 1 68 ALA H 1 69 LYS H . . 4.500 3.301 2.186 4.331 . 0 0 "[ . 1 . 2]" 1
555 1 68 ALA MB 1 69 LYS H . . 4.290 3.091 1.937 3.694 . 0 0 "[ . 1 . 2]" 1
556 1 69 LYS H 1 69 LYS QD . . 5.500 4.516 2.350 5.594 0.094 16 0 "[ . 1 . 2]" 1
557 1 69 LYS H 1 69 LYS QG . . 4.880 3.532 2.180 4.540 . 0 0 "[ . 1 . 2]" 1
558 1 69 LYS QB 1 70 ILE H . . 3.880 3.296 1.859 4.031 0.151 11 0 "[ . 1 . 2]" 1
559 1 69 LYS QD 1 70 ILE H . . 5.400 4.605 2.633 5.990 0.590 13 1 "[ . 1 + . 2]" 1
560 1 69 LYS QG 1 70 ILE H . . 4.410 3.501 2.123 4.588 0.178 4 0 "[ . 1 . 2]" 1
561 1 70 ILE H 1 70 ILE HB . . 3.770 3.082 2.509 4.004 0.234 9 0 "[ . 1 . 2]" 1
562 1 70 ILE H 1 70 ILE QG . . 4.500 3.308 1.946 4.281 . 0 0 "[ . 1 . 2]" 1
563 1 70 ILE H 1 70 ILE MG . . 4.620 2.697 1.813 4.074 . 0 0 "[ . 1 . 2]" 1
564 1 70 ILE H 1 71 LEU H . . 4.530 3.755 2.154 4.686 0.156 6 0 "[ . 1 . 2]" 1
565 1 70 ILE H 1 74 ILE QG . . 4.640 4.762 3.215 5.345 0.705 12 6 "[ * * - 1 + *. *2]" 1
566 1 70 ILE HA 1 70 ILE MG . . 3.480 2.852 2.303 3.291 . 0 0 "[ . 1 . 2]" 1
567 1 70 ILE HB 1 71 LEU H . . 4.810 3.762 1.939 4.603 . 0 0 "[ . 1 . 2]" 1
568 1 70 ILE MD 1 71 LEU H . . 4.800 4.402 3.304 5.508 0.708 11 4 "[ * 1+ .*- 2]" 1
569 1 70 ILE QG 1 71 LEU H . . 4.630 3.601 2.399 4.719 0.089 2 0 "[ . 1 . 2]" 1
570 1 70 ILE MG 1 71 LEU H . . 3.910 3.431 1.808 4.372 0.462 13 0 "[ . 1 . 2]" 1
571 1 71 LEU H 1 71 LEU MD1 . . 4.410 3.678 2.108 4.589 0.179 15 0 "[ . 1 . 2]" 1
572 1 71 LEU H 1 71 LEU QD . . 3.780 2.706 1.753 3.860 0.080 11 0 "[ . 1 . 2]" 1
573 1 71 LEU H 1 71 LEU MD2 . . 4.410 3.331 1.755 4.548 0.138 18 0 "[ . 1 . 2]" 1
574 1 71 LEU H 1 71 LEU HG . . 4.290 3.351 2.336 4.543 0.253 11 0 "[ . 1 . 2]" 1
575 1 71 LEU HA 1 71 LEU MD1 . . 4.130 3.552 2.099 4.199 0.069 5 0 "[ . 1 . 2]" 1
576 1 71 LEU HA 1 71 LEU QD . . 3.440 2.543 2.035 3.465 0.025 19 0 "[ . 1 . 2]" 1
577 1 71 LEU HA 1 71 LEU MD2 . . 4.130 3.019 2.042 3.947 . 0 0 "[ . 1 . 2]" 1
578 1 71 LEU HB2 1 72 LYS H . . 5.390 3.507 2.195 4.611 . 0 0 "[ . 1 . 2]" 1
579 1 71 LEU HB3 1 72 LYS H . . 5.390 3.351 1.921 4.582 . 0 0 "[ . 1 . 2]" 1
580 1 71 LEU QD 1 72 LYS H . . 4.850 3.837 3.263 4.476 . 0 0 "[ . 1 . 2]" 1
581 1 71 LEU MD1 1 72 LYS H . . 5.570 4.556 3.700 5.596 0.026 13 0 "[ . 1 . 2]" 1
582 1 71 LEU MD2 1 72 LYS H . . 5.570 4.372 3.403 5.782 0.212 18 0 "[ . 1 . 2]" 1
583 1 72 LYS H 1 72 LYS QG . . 4.960 3.735 2.791 4.615 . 0 0 "[ . 1 . 2]" 1
584 1 72 LYS QD 1 73 VAL H . . 5.460 4.215 2.415 4.964 . 0 0 "[ . 1 . 2]" 1
585 1 72 LYS QG 1 73 VAL H . . 5.320 3.848 2.630 5.001 . 0 0 "[ . 1 . 2]" 1
586 1 73 VAL H 1 73 VAL HB . . 4.180 3.357 2.534 3.934 . 0 0 "[ . 1 . 2]" 1
587 1 73 VAL H 1 73 VAL MG1 . . 4.060 3.201 2.219 4.090 0.030 11 0 "[ . 1 . 2]" 1
588 1 73 VAL H 1 73 VAL QG . . 3.520 2.285 1.914 2.886 . 0 0 "[ . 1 . 2]" 1
589 1 73 VAL H 1 73 VAL MG2 . . 4.060 2.483 1.978 4.062 0.002 12 0 "[ . 1 . 2]" 1
590 1 73 VAL H 1 74 ILE H . . 4.320 3.407 2.457 4.541 0.221 6 0 "[ . 1 . 2]" 1
591 1 73 VAL HA 1 73 VAL MG1 . . 3.630 2.487 2.297 3.278 . 0 0 "[ . 1 . 2]" 1
592 1 73 VAL HA 1 73 VAL MG2 . . 3.630 2.868 2.293 3.289 . 0 0 "[ . 1 . 2]" 1
593 1 73 VAL HB 1 74 ILE H . . 5.020 3.760 1.995 4.577 . 0 0 "[ . 1 . 2]" 1
594 1 73 VAL QG 1 74 ILE H . . 4.310 3.398 2.800 3.809 . 0 0 "[ . 1 . 2]" 1
595 1 73 VAL MG1 1 74 ILE H . . 5.150 3.818 2.918 4.388 . 0 0 "[ . 1 . 2]" 1
596 1 73 VAL MG2 1 74 ILE H . . 5.150 3.987 3.092 4.425 . 0 0 "[ . 1 . 2]" 1
597 1 74 ILE H 1 74 ILE HB . . 4.100 2.970 2.499 3.744 . 0 0 "[ . 1 . 2]" 1
598 1 74 ILE H 1 74 ILE QG . . 4.670 2.506 1.875 3.668 . 0 0 "[ . 1 . 2]" 1
599 1 74 ILE H 1 75 ASP H . . 4.630 3.390 2.109 4.295 . 0 0 "[ . 1 . 2]" 1
600 1 74 ILE HB 1 75 ASP H . . 4.820 4.086 2.079 4.551 . 0 0 "[ . 1 . 2]" 1
601 1 74 ILE MG 1 75 ASP H . . 4.680 3.733 2.966 4.310 . 0 0 "[ . 1 . 2]" 1
602 1 75 ASP H 1 76 LYS H . . 4.220 4.063 2.778 4.623 0.403 2 0 "[ . 1 . 2]" 1
603 1 75 ASP HB2 1 76 LYS H . . 5.400 3.874 2.382 4.582 . 0 0 "[ . 1 . 2]" 1
604 1 75 ASP HB3 1 76 LYS H . . 5.400 3.885 1.957 4.518 . 0 0 "[ . 1 . 2]" 1
605 1 76 LYS H 1 76 LYS QG . . 4.830 3.463 1.962 4.388 . 0 0 "[ . 1 . 2]" 1
606 1 76 LYS H 1 77 GLN H . . 4.530 3.862 2.491 4.638 0.108 3 0 "[ . 1 . 2]" 1
607 1 76 LYS HB2 1 77 GLN H . . 5.800 4.032 2.472 4.688 . 0 0 "[ . 1 . 2]" 1
608 1 76 LYS HB3 1 77 GLN H . . 5.800 3.937 2.047 4.510 . 0 0 "[ . 1 . 2]" 1
609 1 77 GLN H 1 77 GLN QG . . 4.920 3.442 2.074 4.539 . 0 0 "[ . 1 . 2]" 1
610 1 77 GLN QG 1 78 LYS H . . 6.080 3.505 2.457 4.863 . 0 0 "[ . 1 . 2]" 1
611 1 79 GLY QA 1 80 PRO QD . . 3.080 2.068 1.854 2.390 . 0 0 "[ . 1 . 2]" 1
612 1 79 GLY HA2 1 80 PRO QD . . 3.880 2.306 1.875 3.519 . 0 0 "[ . 1 . 2]" 1
613 1 79 GLY HA3 1 80 PRO QD . . 3.880 3.035 1.972 3.614 . 0 0 "[ . 1 . 2]" 1
614 1 81 HIS QB 1 82 LYS H . . 7.500 3.188 1.997 4.096 . 0 0 "[ . 1 . 2]" 1
615 1 82 LYS QG 1 83 ALA H . . 5.330 3.548 2.511 4.510 . 0 0 "[ . 1 . 2]" 1
616 1 83 ALA MB 1 84 ARG H . . 5.910 2.787 2.018 3.692 . 0 0 "[ . 1 . 2]" 1
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