NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591284 |
2mqa   |
25024 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqa
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 896
_Distance_constraint_stats_list.Viol_count 1754
_Distance_constraint_stats_list.Viol_total 15699.582
_Distance_constraint_stats_list.Viol_max 5.177
_Distance_constraint_stats_list.Viol_rms 0.5256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1752
_Distance_constraint_stats_list.Viol_average_violations_only 0.8951
_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 17 GLY 2.952 1.224 8 3 "[ -. *+ 1]"
1 18 ASN 3.561 0.339 9 0 "[ . 1]"
1 19 ALA 69.354 4.563 4 10 [***+*-****]
1 20 PHE 69.329 2.346 4 10 [***+*****-]
1 21 ALA 34.058 2.630 6 10 [*****+***-]
1 22 GLN 5.627 0.658 2 8 "[*+*** *- *]"
1 23 SER 35.706 2.620 4 10 [***+*-****]
1 24 LEU 8.542 0.973 4 4 "[ +.- * *]"
1 25 SER 0.000 0.000 . 0 "[ . 1]"
1 26 SER 0.106 0.106 4 0 "[ . 1]"
1 27 ASN 22.800 2.395 10 10 [*******-*+]
1 28 LEU 36.776 1.216 3 10 [**+*******]
1 29 LEU 36.826 2.342 1 10 [+*****-***]
1 30 SER 27.837 2.848 5 10 [*-**+*****]
1 31 SER 21.158 2.117 1 10 [+*******-*]
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 33 ASP 1.969 0.311 2 0 "[ . 1]"
1 34 PHE 19.537 1.084 10 10 [********-+]
1 35 VAL 18.117 1.074 5 10 [****+***-*]
1 36 GLN 6.642 0.615 1 2 "[+ -. 1]"
1 37 MET 11.780 1.017 2 6 "[ +**.* -*]"
1 38 ILE 176.696 3.835 1 10 [+****-****]
1 39 SER 0.000 0.000 . 0 "[ . 1]"
1 40 SER 0.203 0.203 7 0 "[ . 1]"
1 41 THR 29.447 1.235 4 10 [***+*-****]
1 42 THR 0.471 0.176 4 0 "[ . 1]"
1 43 SER 39.897 4.228 2 10 [*+****-***]
1 44 THR 31.345 2.649 8 10 [*******+**]
1 45 ASP 19.095 2.617 8 9 "[* -****+**]"
1 46 GLN 19.515 1.617 3 8 "[*-+** * **]"
1 47 ALA 25.555 2.190 5 8 "[ -**+** **]"
1 48 VAL 25.722 2.617 8 9 "[* ***-*+**]"
1 49 SER 7.178 0.609 5 6 "[ **+-** 1]"
1 50 VAL 4.896 0.553 7 1 "[ . + 1]"
1 51 ALA 18.659 2.340 7 9 "[ *****+***]"
1 52 THR 15.694 0.821 3 9 "[**+-** ***]"
1 53 SER 8.952 0.688 5 6 "[ **+ **-]"
1 54 VAL 33.968 0.919 1 10 [+****-****]
1 55 ALA 52.924 3.104 5 10 [****+*-***]
1 56 GLN 25.206 2.080 1 8 "[+* -** ***]"
1 57 ASN 6.276 1.323 3 4 "[ + ** - 1]"
1 58 VAL 44.815 2.722 4 10 [***+******]
1 59 GLY 6.891 1.346 8 6 "[ *-*. *+*1]"
1 60 ASN 4.492 1.758 6 3 "[* .+ -1]"
1 61 GLN 2.272 0.607 4 3 "[ +*- 1]"
1 62 LEU 6.622 0.981 1 6 "[+ -*** *]"
1 63 GLY 0.138 0.076 1 0 "[ . 1]"
1 64 LEU 33.608 1.956 3 9 [*-+******1]
1 65 ASP 10.802 2.225 6 6 "[ * **+* *1]"
1 66 ALA 0.889 0.607 6 1 "[ .+ 1]"
1 67 ASN 0.000 0.000 . 0 "[ . 1]"
1 68 ALA 54.652 4.221 8 10 [*-*****+**]
1 69 MET 66.172 2.722 4 10 [-**+******]
1 70 ASN 0.450 0.076 3 0 "[ . 1]"
1 71 SER 1.627 0.778 2 2 "[ + .- 1]"
1 72 LEU 22.363 1.379 9 10 [*******-+*]
1 73 LEU 11.438 1.594 7 7 "[** ***+ -1]"
1 74 GLY 0.015 0.015 5 0 "[ . 1]"
1 75 ALA 2.978 0.924 7 3 "[ * .-+ 1]"
1 76 VAL 45.195 2.542 7 10 [******+***]
1 77 SER 7.495 1.364 7 8 [****.*+*-1]
1 78 GLY 0.032 0.032 8 0 "[ . 1]"
1 79 TYR 30.659 1.430 10 9 "[******* -+]"
1 80 VAL 9.970 0.846 9 5 "[ **- +*]"
1 81 SER 17.955 2.649 8 9 "[ *-****+**]"
1 82 THR 2.499 1.720 2 1 "[ + . 1]"
1 83 LEU 33.041 1.920 9 10 [**-*****+*]
1 84 GLY 2.047 1.720 2 1 "[ + . 1]"
1 85 ASN 10.374 1.982 3 6 "[ +-*** *]"
1 86 ALA 12.090 1.097 3 10 [**+**-****]
1 87 ILE 113.071 4.228 2 10 [*+*****-**]
1 88 SER 28.121 2.848 5 10 [*-**+*****]
1 89 ASP 2.564 0.441 5 0 "[ . 1]"
1 90 ALA 77.667 2.614 10 10 [********-+]
1 91 SER 60.177 3.835 1 10 [+-********]
1 92 ALA 18.605 1.593 1 10 [+*****-***]
1 93 TYR 36.710 2.190 5 10 [*-**+*****]
1 94 ALA 30.886 1.504 8 10 [*******+**]
1 95 ASN 0.404 0.135 10 0 "[ . 1]"
1 96 ALA 11.976 1.543 8 8 "[- **** +**]"
1 97 ILE 68.690 2.340 7 10 [**-***+***]
1 98 SER 0.000 0.000 . 0 "[ . 1]"
1 99 SER 28.796 2.630 6 10 [*****+**-*]
1 100 ALA 31.665 1.452 1 10 [+-********]
1 101 ILE 88.381 3.104 5 10 [****+**-**]
1 102 GLY 0.587 0.249 8 0 "[ . 1]"
1 103 ASN 0.541 0.263 10 0 "[ . 1]"
1 104 VAL 43.477 4.221 8 10 [*-*****+**]
1 105 LEU 56.766 2.632 2 10 [*+******-*]
1 106 ALA 5.509 1.003 7 3 "[ . +- *]"
1 107 ASN 0.000 0.000 . 0 "[ . 1]"
1 108 SER 0.813 0.309 8 0 "[ . 1]"
1 109 GLY 0.000 0.000 . 0 "[ . 1]"
1 110 SER 2.203 0.401 6 0 "[ . 1]"
1 111 ILE 73.044 2.917 8 10 [*******+**]
1 112 SER 5.656 1.246 10 6 "[* -. ***+]"
1 115 THR 6.536 1.094 6 5 "[ * -*+ * 1]"
1 116 ALA 80.325 3.223 7 10 [**-***+***]
1 119 ALA 46.584 2.632 2 10 [*+*-******]
1 120 ALA 116.495 4.563 4 10 [***+**-***]
1 121 SER 37.181 3.343 4 10 [***+******]
1 122 SER 0.000 0.000 . 0 "[ . 1]"
1 123 ALA 4.136 0.566 2 4 "[ + * * -]"
1 124 ALA 26.960 2.395 10 10 [*******-*+]
1 125 SER 33.770 3.343 4 10 [***+****-*]
1 126 SER 0.568 0.184 10 0 "[ . 1]"
1 127 VAL 41.790 3.887 3 10 [-*+*******]
1 128 THR 40.409 3.035 4 10 [***+*****-]
1 129 THR 19.981 3.035 4 9 "[***+-** **]"
1 130 THR 18.475 1.432 9 7 "[*** - * +*]"
1 131 LEU 39.512 4.093 7 10 [-*****+***]
1 132 THR 53.887 3.887 3 10 [**+****-**]
1 133 SER 2.321 0.593 1 1 "[+ . 1]"
1 134 TYR 78.550 5.177 6 10 [****-+****]
1 135 GLY 0.000 0.000 . 0 "[ . 1]"
1 136 PRO 33.502 3.337 2 10 [*+****-***]
1 137 ALA 5.489 0.908 8 6 "[ * * -+**]"
1 138 VAL 103.609 5.177 6 10 [****-+****]
1 139 PHE 30.837 4.093 7 10 [****-*+***]
1 140 TYR 12.030 0.908 8 8 "[*** * -+**]"
1 141 ALA 1.878 0.853 5 1 "[ + 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 GLY H 1 111 ILE MD . . 5.000 4.788 3.515 6.224 1.224 8 3 "[ -. *+ 1]" 1
2 1 17 GLY HA2 1 18 ASN H . . 5.000 3.502 3.481 3.528 . 0 0 "[ . 1]" 1
3 1 17 GLY HA3 1 18 ASN H . . 5.000 2.992 2.931 3.037 . 0 0 "[ . 1]" 1
4 1 17 GLY HA3 1 20 PHE H . . 5.000 4.551 4.463 4.612 . 0 0 "[ . 1]" 1
5 1 17 GLY HA3 1 111 ILE MD . . 5.000 3.205 2.133 4.313 . 0 0 "[ . 1]" 1
6 1 18 ASN H 1 18 ASN QB . . 3.400 2.301 2.077 2.528 . 0 0 "[ . 1]" 1
7 1 18 ASN H 1 19 ALA HA . . 5.000 5.296 5.240 5.339 0.339 9 0 "[ . 1]" 1
8 1 18 ASN HA 1 19 ALA H . . 5.000 3.553 3.530 3.581 . 0 0 "[ . 1]" 1
9 1 18 ASN HA 1 21 ALA H . . 5.000 3.637 3.457 3.792 . 0 0 "[ . 1]" 1
10 1 18 ASN HA 1 21 ALA MB . . 3.400 3.313 3.124 3.542 0.142 6 0 "[ . 1]" 1
11 1 18 ASN HA 1 22 GLN H . . 5.000 4.039 3.908 4.162 . 0 0 "[ . 1]" 1
12 1 18 ASN QB 1 19 ALA H . . 3.400 2.841 2.372 3.484 0.084 8 0 "[ . 1]" 1
13 1 18 ASN QB 1 21 ALA MB . . 5.000 4.778 4.277 5.133 0.133 9 0 "[ . 1]" 1
14 1 19 ALA H 1 19 ALA MB . . 3.400 2.239 2.237 2.245 . 0 0 "[ . 1]" 1
15 1 19 ALA H 1 116 ALA MB . . 5.000 7.449 6.453 8.223 3.223 7 10 [*****-+***] 1
16 1 19 ALA H 1 120 ALA MB . . 5.000 9.171 8.685 9.563 4.563 4 10 [***+*-****] 1
17 1 19 ALA HA 1 20 PHE H . . 5.000 3.513 3.489 3.547 . 0 0 "[ . 1]" 1
18 1 19 ALA HA 1 22 GLN H . . 5.000 3.424 3.348 3.467 . 0 0 "[ . 1]" 1
19 1 19 ALA MB 1 20 PHE H . . 3.400 2.745 2.590 2.833 . 0 0 "[ . 1]" 1
20 1 20 PHE H 1 20 PHE QB . . 3.400 2.080 2.063 2.101 . 0 0 "[ . 1]" 1
21 1 20 PHE H 1 20 PHE QD . . 5.000 3.824 3.722 3.912 . 0 0 "[ . 1]" 1
22 1 20 PHE H 1 111 ILE MD . . 5.000 5.309 4.354 6.534 1.534 4 5 "[ +* *-*1]" 1
23 1 20 PHE H 1 116 ALA MB . . 5.000 5.587 4.805 6.282 1.282 7 5 "[* - * +* 1]" 1
24 1 20 PHE H 1 120 ALA MB . . 5.000 7.064 6.612 7.346 2.346 4 10 [***+*-****] 1
25 1 20 PHE HA 1 21 ALA H . . 5.000 3.585 3.584 3.585 . 0 0 "[ . 1]" 1
26 1 20 PHE HA 1 116 ALA MB . . 3.400 4.721 3.474 5.587 2.187 5 9 "[****+ **-*]" 1
27 1 20 PHE HA 1 120 ALA MB . . 5.000 5.345 4.695 5.867 0.867 1 3 "[+ * -]" 1
28 1 20 PHE QB 1 21 ALA H . . 5.000 2.670 2.619 2.735 . 0 0 "[ . 1]" 1
29 1 20 PHE QB 1 111 ILE MD . . 5.000 3.644 2.664 4.853 . 0 0 "[ . 1]" 1
30 1 20 PHE QD 1 21 ALA H . . 5.000 2.519 2.451 2.908 . 0 0 "[ . 1]" 1
31 1 20 PHE QD 1 101 ILE MD . . 5.000 5.094 4.237 5.952 0.952 6 3 "[ * .+ -1]" 1
32 1 20 PHE QD 1 102 GLY QA . . 5.000 4.955 4.496 5.249 0.249 8 0 "[ . 1]" 1
33 1 20 PHE QD 1 111 ILE CG2 . . 5.000 4.603 3.360 5.456 0.456 3 0 "[ . 1]" 1
34 1 20 PHE QD 1 111 ILE MD . . 5.000 2.869 2.145 3.602 . 0 0 "[ . 1]" 1
35 1 20 PHE QD 1 116 ALA HA . . 5.000 4.234 2.562 5.424 0.424 5 0 "[ . 1]" 1
36 1 20 PHE QD 1 116 ALA MB . . 5.000 3.072 2.608 3.987 . 0 0 "[ . 1]" 1
37 1 20 PHE QD 1 119 ALA MB . . 5.000 4.961 4.277 5.562 0.562 5 1 "[ + 1]" 1
38 1 20 PHE QD 1 120 ALA MB . . 5.000 3.372 2.950 3.808 . 0 0 "[ . 1]" 1
39 1 20 PHE QE 1 24 LEU QD . . 5.000 3.975 2.622 5.020 0.020 7 0 "[ . 1]" 1
40 1 20 PHE QE 1 101 ILE MD . . 5.000 4.623 4.250 5.077 0.077 3 0 "[ . 1]" 1
41 1 20 PHE QE 1 119 ALA MB . . 5.000 3.346 2.664 3.952 . 0 0 "[ . 1]" 1
42 1 20 PHE QE 1 123 ALA MB . . 5.000 5.067 3.901 5.566 0.566 2 4 "[ + * * -]" 1
43 1 20 PHE HZ 1 101 ILE MD . . 5.000 6.037 6.015 6.078 1.078 3 10 [**+-******] 1
44 1 20 PHE HZ 1 123 ALA MB . . 5.000 4.688 3.448 5.360 0.360 10 0 "[ . 1]" 1
45 1 21 ALA H 1 21 ALA MB . . 3.400 2.221 2.041 2.248 . 0 0 "[ . 1]" 1
46 1 21 ALA H 1 111 ILE MD . . 5.000 4.834 4.088 5.875 0.875 4 2 "[ +- 1]" 1
47 1 21 ALA H 1 116 ALA MB . . 5.000 5.960 5.129 6.895 1.895 8 9 "[*** ***+*-]" 1
48 1 21 ALA HA 1 22 GLN H . . 5.000 3.534 3.529 3.554 . 0 0 "[ . 1]" 1
49 1 21 ALA HA 1 25 SER H . . 5.000 3.648 3.479 3.843 . 0 0 "[ . 1]" 1
50 1 21 ALA MB 1 22 GLN H . . 3.400 2.673 2.565 2.811 . 0 0 "[ . 1]" 1
51 1 21 ALA MB 1 22 GLN QB . . 5.000 3.874 3.768 3.935 . 0 0 "[ . 1]" 1
52 1 21 ALA MB 1 99 SER HA . . 3.400 5.641 5.103 6.030 2.630 6 10 [***-*+****] 1
53 1 21 ALA MB 1 102 GLY H . . 5.000 4.043 3.434 4.329 . 0 0 "[ . 1]" 1
54 1 22 GLN H 1 22 GLN QB . . 2.800 2.212 2.123 2.246 . 0 0 "[ . 1]" 1
55 1 22 GLN H 1 22 GLN QG . . 3.400 3.963 3.790 4.058 0.658 2 8 "[*+*** *- *]" 1
56 1 22 GLN HA 1 23 SER H . . 5.000 3.556 3.525 3.570 . 0 0 "[ . 1]" 1
57 1 22 GLN HA 1 25 SER H . . 5.000 3.652 3.503 3.757 . 0 0 "[ . 1]" 1
58 1 22 GLN HA 1 26 SER H . . 5.000 3.608 3.428 3.705 . 0 0 "[ . 1]" 1
59 1 22 GLN QB 1 23 SER H . . 3.400 2.588 2.467 2.791 . 0 0 "[ . 1]" 1
60 1 23 SER H 1 23 SER QB . . 2.800 2.237 2.193 2.299 . 0 0 "[ . 1]" 1
61 1 23 SER H 1 120 ALA MB . . 5.000 6.560 5.863 7.610 2.610 4 10 [***+*-****] 1
62 1 23 SER HA 1 24 LEU H . . 5.000 3.570 3.565 3.577 . 0 0 "[ . 1]" 1
63 1 23 SER QB 1 24 LEU H . . 3.400 2.496 2.427 2.567 . 0 0 "[ . 1]" 1
64 1 23 SER QB 1 120 ALA MB . . 3.400 5.410 4.703 6.020 2.620 4 10 [***+*-****] 1
65 1 24 LEU H 1 24 LEU QD . . 5.000 3.497 3.032 3.629 . 0 0 "[ . 1]" 1
66 1 24 LEU H 1 120 ALA MB . . 5.000 4.770 4.001 5.973 0.973 4 1 "[ +. 1]" 1
67 1 24 LEU HA 1 25 SER H . . 5.000 3.575 3.550 3.580 . 0 0 "[ . 1]" 1
68 1 24 LEU HA 1 120 ALA MB . . 5.000 4.718 3.826 5.700 0.700 4 1 "[ +. 1]" 1
69 1 24 LEU HA 1 124 ALA MB . . 5.000 4.984 4.434 5.553 0.553 10 1 "[ . +]" 1
70 1 24 LEU QB 1 25 SER H . . 5.000 2.583 2.395 3.430 . 0 0 "[ . 1]" 1
71 1 24 LEU QB 1 28 LEU H . . 5.000 5.169 4.624 5.467 0.467 3 0 "[ . 1]" 1
72 1 24 LEU QD 1 28 LEU QD . . 5.000 3.201 1.921 4.322 . 0 0 "[ . 1]" 1
73 1 24 LEU QD 1 28 LEU HG . . 5.000 3.358 2.707 4.682 . 0 0 "[ . 1]" 1
74 1 24 LEU QD 1 101 ILE MD . . 5.000 4.769 4.048 5.543 0.543 6 1 "[ .+ 1]" 1
75 1 24 LEU QD 1 120 ALA MB . . 5.000 2.396 1.762 2.910 . 0 0 "[ . 1]" 1
76 1 24 LEU QD 1 123 ALA MB . . 5.000 2.935 1.941 3.706 . 0 0 "[ . 1]" 1
77 1 24 LEU QD 1 124 ALA HA . . 5.000 3.426 3.142 3.707 . 0 0 "[ . 1]" 1
78 1 24 LEU QD 1 124 ALA MB . . 3.400 2.072 1.663 2.895 . 0 0 "[ . 1]" 1
79 1 24 LEU HG 1 28 LEU QD . . 5.000 4.892 4.040 5.637 0.637 8 1 "[ . + 1]" 1
80 1 26 SER H 1 26 SER QB . . 2.800 2.272 2.159 2.487 . 0 0 "[ . 1]" 1
81 1 26 SER HA 1 27 ASN H . . 5.000 3.574 3.524 3.584 . 0 0 "[ . 1]" 1
82 1 26 SER HA 1 29 LEU H . . 5.000 3.781 3.303 3.973 . 0 0 "[ . 1]" 1
83 1 26 SER QB 1 27 ASN H . . 3.400 2.772 2.456 3.506 0.106 4 0 "[ . 1]" 1
84 1 27 ASN H 1 27 ASN QB . . 3.400 2.158 2.073 2.256 . 0 0 "[ . 1]" 1
85 1 27 ASN H 1 124 ALA MB . . 5.000 6.803 6.157 7.395 2.395 10 10 [***-*****+] 1
86 1 27 ASN HA 1 28 LEU H . . 5.000 3.552 3.530 3.577 . 0 0 "[ . 1]" 1
87 1 27 ASN HA 1 30 SER H . . 5.000 3.388 3.262 3.671 . 0 0 "[ . 1]" 1
88 1 27 ASN QB 1 28 LEU H . . 5.000 2.622 2.420 2.808 . 0 0 "[ . 1]" 1
89 1 27 ASN QB 1 124 ALA MB . . 5.000 5.357 4.434 6.035 1.035 10 5 "[** . *- +]" 1
90 1 28 LEU H 1 28 LEU HB2 . . 3.400 2.412 2.130 2.570 . 0 0 "[ . 1]" 1
91 1 28 LEU H 1 28 LEU QD . . 5.000 3.643 3.532 3.755 . 0 0 "[ . 1]" 1
92 1 28 LEU H 1 28 LEU HG . . 3.400 4.492 4.063 4.616 1.216 3 10 [**+**-****] 1
93 1 28 LEU H 1 124 ALA MB . . 5.000 5.244 4.774 5.802 0.802 2 3 "[*+ . - 1]" 1
94 1 28 LEU HA 1 29 LEU H . . 5.000 3.546 3.522 3.562 . 0 0 "[ . 1]" 1
95 1 28 LEU HA 1 31 SER H . . 5.000 3.579 3.395 3.728 . 0 0 "[ . 1]" 1
96 1 28 LEU HB2 1 29 LEU H . . 5.000 3.805 3.501 3.985 . 0 0 "[ . 1]" 1
97 1 28 LEU QD 1 31 SER H . . 5.000 3.772 3.386 4.109 . 0 0 "[ . 1]" 1
98 1 28 LEU QD 1 34 PHE QD . . 5.000 2.700 1.957 3.388 . 0 0 "[ . 1]" 1
99 1 28 LEU QD 1 54 VAL QG . . 5.000 2.858 2.416 3.342 . 0 0 "[ . 1]" 1
100 1 28 LEU QD 1 94 ALA MB . . 5.000 5.238 4.789 5.573 0.573 6 2 "[ .+ -1]" 1
101 1 28 LEU QD 1 97 ILE MD . . 5.000 5.051 3.949 5.718 0.718 9 3 "[ -*. +1]" 1
102 1 28 LEU QD 1 97 ILE MG . . 5.000 5.622 5.085 5.877 0.877 2 8 "[*+**- * **]" 1
103 1 28 LEU QD 1 124 ALA MB . . 5.000 3.010 2.215 3.783 . 0 0 "[ . 1]" 1
104 1 28 LEU QD 1 127 VAL H . . 5.000 4.320 3.954 4.898 . 0 0 "[ . 1]" 1
105 1 28 LEU QD 1 127 VAL HB . . 5.000 2.852 1.975 3.770 . 0 0 "[ . 1]" 1
106 1 28 LEU QD 1 127 VAL QG . . 5.000 1.677 1.503 2.180 . 0 0 "[ . 1]" 1
107 1 28 LEU QD 1 132 THR MG . . 5.000 5.720 5.404 5.836 0.836 9 9 "[ *-*****+*]" 1
108 1 29 LEU H 1 29 LEU HB2 . . 3.400 2.260 2.121 2.545 . 0 0 "[ . 1]" 1
109 1 29 LEU H 1 29 LEU QD . . 5.000 2.989 2.230 3.754 . 0 0 "[ . 1]" 1
110 1 29 LEU H 1 29 LEU HG . . 3.400 4.334 4.170 4.529 1.129 4 10 [-**+******] 1
111 1 29 LEU H 1 94 ALA MB . . 5.000 4.107 3.789 4.453 . 0 0 "[ . 1]" 1
112 1 29 LEU HA 1 29 LEU QD . . 3.400 2.377 1.948 2.935 . 0 0 "[ . 1]" 1
113 1 29 LEU HA 1 30 SER H . . 5.000 3.521 3.481 3.541 . 0 0 "[ . 1]" 1
114 1 29 LEU HA 1 31 SER H . . 5.000 3.655 3.571 3.714 . 0 0 "[ . 1]" 1
115 1 29 LEU HA 1 35 VAL QG . . 5.000 4.693 4.339 5.173 0.173 10 0 "[ . 1]" 1
116 1 29 LEU HB2 1 30 SER H . . 5.000 3.396 2.904 4.007 . 0 0 "[ . 1]" 1
117 1 29 LEU HB3 1 30 SER H . . 5.000 3.124 2.681 3.426 . 0 0 "[ . 1]" 1
118 1 29 LEU QD 1 31 SER H . . 5.000 4.770 4.325 5.070 0.070 5 0 "[ . 1]" 1
119 1 29 LEU QD 1 35 VAL QG . . 5.000 4.546 3.280 5.280 0.280 7 0 "[ . 1]" 1
120 1 29 LEU QD 1 91 SER H . . 5.000 5.094 4.375 6.169 1.169 1 3 "[+- . * 1]" 1
121 1 29 LEU QD 1 91 SER HA . . 3.400 5.159 4.416 5.742 2.342 1 10 [+**-******] 1
122 1 29 LEU QD 1 92 ALA H . . 5.000 5.329 4.543 6.593 1.593 1 4 "[+* . -* 1]" 1
123 1 29 LEU QD 1 94 ALA H . . 5.000 2.723 2.191 3.802 . 0 0 "[ . 1]" 1
124 1 29 LEU QD 1 94 ALA MB . . 3.400 2.357 1.837 3.216 . 0 0 "[ . 1]" 1
125 1 29 LEU QD 1 95 ASN H . . 5.000 4.631 4.147 5.135 0.135 10 0 "[ . 1]" 1
126 1 29 LEU HG 1 54 VAL QG . . 5.000 4.795 4.111 5.682 0.682 1 1 "[+ . 1]" 1
127 1 30 SER H 1 30 SER QB . . 3.400 2.281 2.139 2.935 . 0 0 "[ . 1]" 1
128 1 30 SER H 1 31 SER QB . . 5.000 4.400 4.229 4.527 . 0 0 "[ . 1]" 1
129 1 30 SER HA 1 31 SER H . . 5.000 3.207 3.173 3.252 . 0 0 "[ . 1]" 1
130 1 30 SER QB 1 31 SER H . . 5.000 3.798 3.716 3.899 . 0 0 "[ . 1]" 1
131 1 30 SER QB 1 88 SER HA . . 3.400 6.184 6.141 6.248 2.848 5 10 [*-**+*****] 1
132 1 31 SER H 1 31 SER QB . . 3.400 2.192 2.130 2.271 . 0 0 "[ . 1]" 1
133 1 31 SER H 1 35 VAL QG . . 5.000 3.304 3.025 4.041 . 0 0 "[ . 1]" 1
134 1 31 SER QB 1 128 THR MG . . 3.400 5.009 4.433 5.517 2.117 1 10 [+*******-*] 1
135 1 31 SER QB 1 132 THR MG . . 5.000 5.497 5.140 5.682 0.682 3 6 "[ *+** -*]" 1
136 1 32 GLY HA2 1 33 ASP H . . 5.000 3.456 3.444 3.474 . 0 0 "[ . 1]" 1
137 1 32 GLY HA2 1 35 VAL H . . 5.000 4.164 4.071 4.424 . 0 0 "[ . 1]" 1
138 1 33 ASP H 1 33 ASP HB3 . . 3.400 3.371 2.788 3.711 0.311 2 0 "[ . 1]" 1
139 1 33 ASP HA 1 34 PHE H . . 5.000 3.541 3.511 3.568 . 0 0 "[ . 1]" 1
140 1 33 ASP HA 1 36 GLN H . . 5.000 3.665 3.595 3.753 . 0 0 "[ . 1]" 1
141 1 33 ASP HA 1 36 GLN QB . . 5.000 3.037 2.874 3.179 . 0 0 "[ . 1]" 1
142 1 33 ASP HA 1 36 GLN QG . . 5.000 4.484 3.053 5.095 0.095 5 0 "[ . 1]" 1
143 1 33 ASP HA 1 37 MET H . . 5.000 5.024 4.826 5.247 0.247 3 0 "[ . 1]" 1
144 1 33 ASP HB2 1 34 PHE H . . 5.000 3.141 2.636 3.887 . 0 0 "[ . 1]" 1
145 1 33 ASP HB3 1 34 PHE H . . 5.000 3.629 2.889 4.069 . 0 0 "[ . 1]" 1
146 1 34 PHE H 1 34 PHE HB3 . . 3.400 2.813 2.763 2.926 . 0 0 "[ . 1]" 1
147 1 34 PHE H 1 34 PHE QD . . 5.000 4.060 3.912 4.156 . 0 0 "[ . 1]" 1
148 1 34 PHE H 1 35 VAL QG . . 5.000 3.503 3.377 4.086 . 0 0 "[ . 1]" 1
149 1 34 PHE H 1 131 LEU QD . . 5.000 3.427 2.184 4.159 . 0 0 "[ . 1]" 1
150 1 34 PHE H 1 132 THR MG . . 5.000 5.529 5.164 5.966 0.966 9 5 "[ - ** +*]" 1
151 1 34 PHE HB2 1 35 VAL H . . 5.000 3.607 3.494 3.684 . 0 0 "[ . 1]" 1
152 1 34 PHE HB3 1 35 VAL H . . 5.000 2.578 2.370 2.664 . 0 0 "[ . 1]" 1
153 1 34 PHE QD 1 35 VAL H . . 5.000 4.163 3.796 4.372 . 0 0 "[ . 1]" 1
154 1 34 PHE QD 1 35 VAL QG . . 5.000 4.161 3.947 4.763 . 0 0 "[ . 1]" 1
155 1 34 PHE QD 1 37 MET ME . . 5.000 3.833 2.761 5.695 0.695 2 2 "[ + . -1]" 1
156 1 34 PHE QD 1 54 VAL QG . . 5.000 4.181 3.546 5.013 0.013 7 0 "[ . 1]" 1
157 1 34 PHE QD 1 127 VAL QG . . 5.000 3.404 1.922 5.200 0.200 3 0 "[ . 1]" 1
158 1 34 PHE QD 1 131 LEU QD . . 5.000 2.384 1.660 3.600 . 0 0 "[ . 1]" 1
159 1 34 PHE QE 1 38 ILE MD . . 5.000 2.296 1.971 2.763 . 0 0 "[ . 1]" 1
160 1 34 PHE QE 1 38 ILE MG . . 5.000 4.671 4.109 5.172 0.172 3 0 "[ . 1]" 1
161 1 34 PHE QE 1 54 VAL QG . . 5.000 2.676 1.892 3.660 . 0 0 "[ . 1]" 1
162 1 34 PHE QE 1 127 VAL QG . . 5.000 3.091 1.896 4.867 . 0 0 "[ . 1]" 1
163 1 34 PHE HZ 1 37 MET ME . . 5.000 4.212 3.059 6.017 1.017 2 2 "[ + . -]" 1
164 1 34 PHE HZ 1 38 ILE MD . . 5.000 3.994 3.830 4.163 . 0 0 "[ . 1]" 1
165 1 34 PHE HZ 1 38 ILE MG . . 5.000 6.048 6.017 6.084 1.084 10 10 [**-******+] 1
166 1 34 PHE HZ 1 54 VAL QG . . 5.000 2.277 1.759 3.204 . 0 0 "[ . 1]" 1
167 1 35 VAL H 1 35 VAL HB . . 3.400 3.495 2.261 3.635 0.235 3 0 "[ . 1]" 1
168 1 35 VAL H 1 35 VAL QG . . 3.400 1.970 1.861 2.544 . 0 0 "[ . 1]" 1
169 1 35 VAL HA 1 38 ILE MD . . 5.000 2.989 2.414 3.519 . 0 0 "[ . 1]" 1
170 1 35 VAL HA 1 39 SER H . . 5.000 3.865 3.585 4.165 . 0 0 "[ . 1]" 1
171 1 35 VAL HA 1 90 ALA MB . . 5.000 6.006 5.683 6.074 1.074 5 10 [****+***-*] 1
172 1 35 VAL HB 1 36 GLN H . . 3.400 3.729 3.656 3.770 0.370 1 0 "[ . 1]" 1
173 1 35 VAL QG 1 36 GLN H . . 5.000 1.907 1.855 2.094 . 0 0 "[ . 1]" 1
174 1 35 VAL QG 1 36 GLN HA . . 5.000 3.368 2.841 3.586 . 0 0 "[ . 1]" 1
175 1 35 VAL QG 1 36 GLN QG . . 5.000 3.763 2.565 4.508 . 0 0 "[ . 1]" 1
176 1 35 VAL QG 1 39 SER QB . . 5.000 4.025 3.254 4.435 . 0 0 "[ . 1]" 1
177 1 35 VAL QG 1 90 ALA H . . 5.000 5.169 4.946 5.353 0.353 10 0 "[ . 1]" 1
178 1 35 VAL QG 1 90 ALA MB . . 5.000 3.942 3.857 4.028 . 0 0 "[ . 1]" 1
179 1 36 GLN H 1 36 GLN QB . . 2.800 2.122 2.027 2.344 . 0 0 "[ . 1]" 1
180 1 36 GLN H 1 36 GLN QG . . 3.400 3.584 2.483 4.015 0.615 1 2 "[+ -. 1]" 1
181 1 36 GLN QG 1 40 SER QB . . 5.000 4.400 3.498 5.203 0.203 7 0 "[ . 1]" 1
182 1 37 MET H 1 37 MET ME . . 5.000 4.601 3.868 5.373 0.373 9 0 "[ . 1]" 1
183 1 37 MET H 1 37 MET QG . . 5.000 3.748 2.936 4.014 . 0 0 "[ . 1]" 1
184 1 37 MET HA 1 38 ILE H . . 5.000 3.577 3.555 3.589 . 0 0 "[ . 1]" 1
185 1 37 MET HA 1 39 SER H . . 5.000 4.278 4.135 4.555 . 0 0 "[ . 1]" 1
186 1 37 MET ME 1 38 ILE H . . 5.000 4.206 3.365 4.935 . 0 0 "[ . 1]" 1
187 1 37 MET ME 1 38 ILE MD . . 5.000 4.779 3.697 6.012 1.012 2 1 "[ + . 1]" 1
188 1 37 MET ME 1 38 ILE MG . . 5.000 5.275 4.189 6.011 1.011 4 4 "[ -*+.* 1]" 1
189 1 37 MET ME 1 50 VAL QG . . 5.000 2.161 1.813 2.755 . 0 0 "[ . 1]" 1
190 1 37 MET ME 1 54 VAL QG . . 5.000 4.686 3.972 5.403 0.403 2 0 "[ . 1]" 1
191 1 37 MET ME 1 131 LEU QD . . 5.000 3.055 1.769 5.203 0.203 10 0 "[ . 1]" 1
192 1 37 MET ME 1 139 PHE QD . . 5.000 3.273 1.891 5.831 0.831 9 1 "[ . +1]" 1
193 1 38 ILE H 1 38 ILE HB . . 3.400 2.635 2.600 2.659 . 0 0 "[ . 1]" 1
194 1 38 ILE H 1 38 ILE MD . . 5.000 3.524 3.470 3.606 . 0 0 "[ . 1]" 1
195 1 38 ILE H 1 38 ILE HG12 . . 3.400 3.163 3.035 3.294 . 0 0 "[ . 1]" 1
196 1 38 ILE H 1 38 ILE HG13 . . 5.000 1.918 1.894 1.956 . 0 0 "[ . 1]" 1
197 1 38 ILE HA 1 39 SER H . . 5.000 3.525 3.503 3.563 . 0 0 "[ . 1]" 1
198 1 38 ILE HA 1 41 THR H . . 5.000 3.535 3.215 3.851 . 0 0 "[ . 1]" 1
199 1 38 ILE HA 1 41 THR MG . . 5.000 3.132 1.916 4.046 . 0 0 "[ . 1]" 1
200 1 38 ILE HB 1 39 SER H . . 3.400 2.779 2.549 2.893 . 0 0 "[ . 1]" 1
201 1 38 ILE MD 1 41 THR MG . . 5.000 5.437 4.586 6.051 1.051 5 5 "[ * +-* *]" 1
202 1 38 ILE MD 1 50 VAL QG . . 5.000 3.660 2.877 4.728 . 0 0 "[ . 1]" 1
203 1 38 ILE MD 1 90 ALA H . . 5.000 6.172 5.711 6.968 1.968 1 10 [+-********] 1
204 1 38 ILE MD 1 90 ALA HA . . 5.000 4.810 4.517 5.228 0.228 1 0 "[ . 1]" 1
205 1 38 ILE MD 1 90 ALA MB . . 5.000 4.647 4.393 4.986 . 0 0 "[ . 1]" 1
206 1 38 ILE MD 1 93 TYR QD . . 5.000 3.618 2.789 4.817 . 0 0 "[ . 1]" 1
207 1 38 ILE MD 1 93 TYR QE . . 5.000 3.551 2.109 4.998 . 0 0 "[ . 1]" 1
208 1 38 ILE MD 1 94 ALA H . . 5.000 6.363 6.185 6.504 1.504 8 10 [*-*****+**] 1
209 1 38 ILE MD 1 94 ALA MB . . 5.000 5.866 5.447 6.047 1.047 9 9 "[ -******+*]" 1
210 1 38 ILE HG12 1 39 SER H . . 5.000 4.941 4.833 4.989 . 0 0 "[ . 1]" 1
211 1 38 ILE HG13 1 39 SER H . . 5.000 4.084 4.021 4.148 . 0 0 "[ . 1]" 1
212 1 38 ILE MG 1 39 SER H . . 5.000 3.715 3.535 3.819 . 0 0 "[ . 1]" 1
213 1 38 ILE MG 1 41 THR H . . 5.000 4.491 4.219 4.960 . 0 0 "[ . 1]" 1
214 1 38 ILE MG 1 50 VAL QG . . 5.000 3.750 2.669 4.815 . 0 0 "[ . 1]" 1
215 1 38 ILE MG 1 83 LEU QD . . 5.000 5.834 5.686 5.958 0.958 3 10 [**+******-] 1
216 1 38 ILE MG 1 88 SER HA . . 5.000 3.917 3.194 5.284 0.284 1 0 "[ . 1]" 1
217 1 38 ILE MG 1 90 ALA H . . 5.000 6.890 6.404 7.437 2.437 1 10 [+***-*****] 1
218 1 38 ILE MG 1 90 ALA HA . . 3.400 5.914 5.741 6.014 2.614 10 10 [****-****+] 1
219 1 38 ILE MG 1 90 ALA MB . . 5.000 5.983 5.733 6.083 1.083 1 10 [+***-*****] 1
220 1 38 ILE MG 1 91 SER H . . 5.000 8.611 8.378 8.835 3.835 1 10 [+***-*****] 1
221 1 38 ILE MG 1 93 TYR H . . 5.000 6.933 6.475 7.169 2.169 10 10 [*****-***+] 1
222 1 38 ILE MG 1 93 TYR QD . . 5.000 4.166 2.856 5.361 0.361 10 0 "[ . 1]" 1
223 1 38 ILE MG 1 93 TYR QE . . 5.000 4.067 1.880 5.771 0.771 9 3 "[ - +*]" 1
224 1 39 SER H 1 39 SER QB . . 2.800 2.286 2.216 2.344 . 0 0 "[ . 1]" 1
225 1 39 SER HA 1 40 SER H . . 5.000 3.520 3.475 3.560 . 0 0 "[ . 1]" 1
226 1 39 SER HA 1 41 THR H . . 5.000 3.847 3.532 4.147 . 0 0 "[ . 1]" 1
227 1 40 SER H 1 40 SER QB . . 3.400 2.335 2.174 2.553 . 0 0 "[ . 1]" 1
228 1 40 SER HA 1 41 THR H . . 5.000 3.371 3.262 3.533 . 0 0 "[ . 1]" 1
229 1 40 SER QB 1 41 THR H . . 5.000 3.308 2.817 3.872 . 0 0 "[ . 1]" 1
230 1 41 THR H 1 41 THR HB . . 3.400 2.847 2.425 3.635 0.235 2 0 "[ . 1]" 1
231 1 41 THR HA 1 42 THR H . . 3.400 2.772 2.145 3.576 0.176 4 0 "[ . 1]" 1
232 1 41 THR HA 1 43 SER H . . 5.000 4.125 3.131 6.051 1.051 3 1 "[ + . 1]" 1
233 1 41 THR HB 1 42 THR H . . 5.000 3.895 1.955 4.519 . 0 0 "[ . 1]" 1
234 1 41 THR HB 1 43 SER H . . 5.000 4.593 2.972 6.063 1.063 5 2 "[ - + 1]" 1
235 1 41 THR HB 1 46 GLN QB . . 5.000 4.041 2.430 5.990 0.990 7 1 "[ . + 1]" 1
236 1 41 THR HB 1 47 ALA H . . 5.000 4.810 2.737 6.235 1.235 4 2 "[ +. - 1]" 1
237 1 41 THR MG 1 43 SER H . . 5.000 3.598 2.116 5.058 0.058 8 0 "[ . 1]" 1
238 1 41 THR MG 1 46 GLN H . . 5.000 4.186 3.524 5.148 0.148 8 0 "[ . 1]" 1
239 1 41 THR MG 1 46 GLN QB . . 3.400 2.636 1.968 3.579 0.179 6 0 "[ . 1]" 1
240 1 41 THR MG 1 46 GLN QG . . 5.000 4.154 3.493 5.142 0.142 6 0 "[ . 1]" 1
241 1 41 THR MG 1 47 ALA H . . 5.000 3.249 2.406 4.240 . 0 0 "[ . 1]" 1
242 1 41 THR MG 1 47 ALA HA . . 3.400 2.811 1.954 4.182 0.782 6 1 "[ .+ 1]" 1
243 1 41 THR MG 1 47 ALA MB . . 5.000 2.632 1.834 3.620 . 0 0 "[ . 1]" 1
244 1 41 THR MG 1 87 ILE HB . . 5.000 5.672 4.892 6.063 1.063 4 8 "[*-*+* * **]" 1
245 1 41 THR MG 1 87 ILE MD . . 5.000 5.298 3.684 6.004 1.004 2 6 "[ +**. *-*1]" 1
246 1 41 THR MG 1 140 TYR QE . . 5.000 4.307 2.285 5.897 0.897 9 1 "[ . +1]" 1
247 1 42 THR HA 1 42 THR MG . . 2.800 2.233 2.156 2.377 . 0 0 "[ . 1]" 1
248 1 42 THR HA 1 43 SER H . . 5.000 3.310 2.149 3.590 . 0 0 "[ . 1]" 1
249 1 42 THR HB 1 43 SER H . . 5.000 3.058 1.925 4.364 . 0 0 "[ . 1]" 1
250 1 43 SER H 1 46 GLN QB . . 3.400 3.767 2.168 5.017 1.617 3 6 "[* +** - *]" 1
251 1 43 SER H 1 87 ILE MD . . 5.000 8.009 4.344 9.228 4.228 2 9 "[ +**-*****]" 1
252 1 43 SER HA 1 45 ASP H . . 5.000 3.714 3.465 4.193 . 0 0 "[ . 1]" 1
253 1 44 THR HA 1 45 ASP H . . 5.000 3.509 3.503 3.527 . 0 0 "[ . 1]" 1
254 1 44 THR HA 1 47 ALA H . . 3.400 3.265 3.113 3.512 0.112 6 0 "[ . 1]" 1
255 1 44 THR HA 1 47 ALA MB . . 3.400 2.420 1.992 2.979 . 0 0 "[ . 1]" 1
256 1 44 THR HA 1 48 VAL H . . 5.000 4.903 3.923 5.816 0.816 6 2 "[ .+ - 1]" 1
257 1 44 THR HA 1 87 ILE MD . . 5.000 4.401 2.273 5.458 0.458 2 0 "[ . 1]" 1
258 1 44 THR HA 1 87 ILE MG . . 5.000 5.258 4.608 6.009 1.009 10 5 "[ * ** - +]" 1
259 1 44 THR HB 1 45 ASP H . . 3.400 3.574 2.884 4.041 0.641 1 4 "[+ - . * *1]" 1
260 1 44 THR HB 1 46 GLN H . . 5.000 5.573 5.146 6.120 1.120 1 5 "[+-* . * *1]" 1
261 1 44 THR MG 1 45 ASP H . . 5.000 3.521 2.115 4.298 . 0 0 "[ . 1]" 1
262 1 44 THR MG 1 47 ALA MB . . 5.000 3.551 2.685 4.388 . 0 0 "[ . 1]" 1
263 1 44 THR MG 1 81 SER HA . . 3.400 4.588 2.994 6.049 2.649 8 7 "[ *- ***+*1]" 1
264 1 44 THR MG 1 87 ILE MD . . 5.000 3.481 2.465 4.546 . 0 0 "[ . 1]" 1
265 1 44 THR MG 1 87 ILE MG . . 5.000 5.124 3.665 6.019 1.019 1 4 "[+* - *1]" 1
266 1 45 ASP H 1 45 ASP QB . . 3.400 2.217 2.049 2.602 . 0 0 "[ . 1]" 1
267 1 45 ASP HA 1 46 GLN H . . 5.000 3.562 3.543 3.580 . 0 0 "[ . 1]" 1
268 1 45 ASP HA 1 48 VAL H . . 5.000 3.773 3.405 4.016 . 0 0 "[ . 1]" 1
269 1 45 ASP HA 1 48 VAL HB . . 3.400 4.981 3.100 6.017 2.617 8 9 "[- *****+**]" 1
270 1 45 ASP HA 1 48 VAL QG . . 5.000 2.574 1.977 3.008 . 0 0 "[ . 1]" 1
271 1 45 ASP QB 1 46 GLN H . . 3.400 2.595 2.395 2.770 . 0 0 "[ . 1]" 1
272 1 46 GLN H 1 46 GLN QB . . 2.800 2.100 2.033 2.292 . 0 0 "[ . 1]" 1
273 1 46 GLN H 1 46 GLN QG . . 3.400 3.539 2.688 3.879 0.479 9 0 "[ . 1]" 1
274 1 46 GLN H 1 47 ALA MB . . 5.000 4.187 4.067 4.384 . 0 0 "[ . 1]" 1
275 1 46 GLN HA 1 47 ALA H . . 5.000 3.471 3.414 3.569 . 0 0 "[ . 1]" 1
276 1 46 GLN HA 1 48 VAL H . . 5.000 3.992 3.781 4.447 . 0 0 "[ . 1]" 1
277 1 46 GLN HA 1 49 SER H . . 5.000 3.333 3.166 3.443 . 0 0 "[ . 1]" 1
278 1 46 GLN HA 1 50 VAL H . . 5.000 4.596 3.730 5.159 0.159 1 0 "[ . 1]" 1
279 1 46 GLN QB 1 47 ALA H . . 3.400 2.987 2.638 3.162 . 0 0 "[ . 1]" 1
280 1 46 GLN QB 1 140 TYR QD . . 5.000 4.910 3.929 5.806 0.806 2 3 "[-+* . 1]" 1
281 1 46 GLN QB 1 140 TYR QE . . 5.000 3.772 2.755 5.422 0.422 1 0 "[ . 1]" 1
282 1 46 GLN QG 1 47 ALA H . . 5.000 4.625 4.343 4.777 . 0 0 "[ . 1]" 1
283 1 46 GLN QG 1 140 TYR QD . . 5.000 4.064 3.100 5.624 0.624 1 1 "[+ . 1]" 1
284 1 47 ALA H 1 47 ALA MB . . 3.400 2.149 2.030 2.238 . 0 0 "[ . 1]" 1
285 1 47 ALA H 1 48 VAL QG . . 5.000 3.693 3.537 3.929 . 0 0 "[ . 1]" 1
286 1 47 ALA H 1 87 ILE MD . . 5.000 5.828 4.530 7.012 2.012 4 6 "[ **+.** -1]" 1
287 1 47 ALA HA 1 48 VAL H . . 5.000 3.526 3.514 3.564 . 0 0 "[ . 1]" 1
288 1 47 ALA HA 1 50 VAL H . . 5.000 3.540 3.426 3.900 . 0 0 "[ . 1]" 1
289 1 47 ALA HA 1 50 VAL HB . . 5.000 4.011 3.165 4.901 . 0 0 "[ . 1]" 1
290 1 47 ALA HA 1 50 VAL QG . . 5.000 2.292 1.841 3.306 . 0 0 "[ . 1]" 1
291 1 47 ALA MB 1 48 VAL H . . 5.000 2.729 2.635 2.774 . 0 0 "[ . 1]" 1
292 1 47 ALA MB 1 48 VAL QG . . 5.000 3.248 3.017 3.744 . 0 0 "[ . 1]" 1
293 1 47 ALA MB 1 50 VAL H . . 5.000 4.729 4.563 4.934 . 0 0 "[ . 1]" 1
294 1 47 ALA MB 1 80 VAL QG . . 5.000 3.387 1.966 4.163 . 0 0 "[ . 1]" 1
295 1 47 ALA MB 1 87 ILE HB . . 5.000 4.706 4.264 5.995 0.995 4 1 "[ +. 1]" 1
296 1 47 ALA MB 1 87 ILE MD . . 5.000 3.232 1.881 4.253 . 0 0 "[ . 1]" 1
297 1 47 ALA MB 1 87 ILE MG . . 5.000 3.002 2.604 3.855 . 0 0 "[ . 1]" 1
298 1 47 ALA MB 1 93 TYR QD . . 5.000 5.208 4.551 5.946 0.946 5 2 "[ -+ 1]" 1
299 1 47 ALA MB 1 93 TYR QE . . 3.400 4.130 2.545 5.590 2.190 5 7 "[ -**+ * **]" 1
300 1 48 VAL H 1 48 VAL HB . . 3.400 3.144 2.613 3.643 0.243 8 0 "[ . 1]" 1
301 1 48 VAL H 1 48 VAL QG . . 3.400 2.010 1.887 2.189 . 0 0 "[ . 1]" 1
302 1 48 VAL HA 1 49 SER H . . 5.000 3.530 3.521 3.552 . 0 0 "[ . 1]" 1
303 1 48 VAL HA 1 51 ALA H . . 5.000 3.524 3.346 3.592 . 0 0 "[ . 1]" 1
304 1 48 VAL HA 1 51 ALA MB . . 3.400 2.513 2.287 2.762 . 0 0 "[ . 1]" 1
305 1 48 VAL HA 1 80 VAL QG . . 5.000 2.544 1.976 3.458 . 0 0 "[ . 1]" 1
306 1 48 VAL HB 1 49 SER H . . 3.400 3.574 2.621 4.009 0.609 5 6 "[ **+-** 1]" 1
307 1 48 VAL QG 1 49 SER H . . 5.000 2.330 1.788 3.330 . 0 0 "[ . 1]" 1
308 1 48 VAL QG 1 52 THR H . . 5.000 4.300 3.323 4.857 . 0 0 "[ . 1]" 1
309 1 48 VAL QG 1 77 SER QB . . 3.400 3.205 2.406 4.764 1.364 7 1 "[ . + 1]" 1
310 1 48 VAL QG 1 81 SER HA . . 5.000 4.249 2.592 5.844 0.844 10 1 "[ . +]" 1
311 1 48 VAL QG 1 81 SER QB . . 5.000 3.834 2.782 4.749 . 0 0 "[ . 1]" 1
312 1 49 SER H 1 49 SER QB . . 2.800 2.319 2.056 2.929 0.129 9 0 "[ . 1]" 1
313 1 49 SER H 1 50 VAL HA . . 5.000 5.321 5.290 5.390 0.390 3 0 "[ . 1]" 1
314 1 49 SER HA 1 52 THR H . . 5.000 3.717 3.597 3.830 . 0 0 "[ . 1]" 1
315 1 49 SER QB 1 50 VAL H . . 3.400 2.506 2.374 2.687 . 0 0 "[ . 1]" 1
316 1 50 VAL H 1 50 VAL HB . . 3.400 2.723 2.504 3.640 0.240 7 0 "[ . 1]" 1
317 1 50 VAL H 1 50 VAL QG . . 3.400 1.956 1.851 2.192 . 0 0 "[ . 1]" 1
318 1 50 VAL H 1 51 ALA MB . . 5.000 4.229 4.167 4.307 . 0 0 "[ . 1]" 1
319 1 50 VAL HA 1 51 ALA H . . 5.000 3.550 3.536 3.580 . 0 0 "[ . 1]" 1
320 1 50 VAL HA 1 54 VAL H . . 5.000 4.558 4.113 5.553 0.553 7 1 "[ . + 1]" 1
321 1 50 VAL HB 1 51 ALA H . . 5.000 3.517 2.361 3.979 . 0 0 "[ . 1]" 1
322 1 50 VAL QG 1 51 ALA H . . 5.000 2.331 1.951 3.242 . 0 0 "[ . 1]" 1
323 1 50 VAL QG 1 53 SER H . . 5.000 4.076 3.803 4.380 . 0 0 "[ . 1]" 1
324 1 50 VAL QG 1 139 PHE QD . . 5.000 3.344 2.126 5.200 0.200 9 0 "[ . 1]" 1
325 1 50 VAL QG 1 140 TYR QD . . 5.000 3.989 1.922 4.885 . 0 0 "[ . 1]" 1
326 1 50 VAL QG 1 140 TYR QE . . 5.000 3.870 2.793 5.329 0.329 9 0 "[ . 1]" 1
327 1 51 ALA H 1 51 ALA MB . . 3.400 2.117 2.028 2.217 . 0 0 "[ . 1]" 1
328 1 51 ALA H 1 97 ILE MD . . 5.000 6.143 4.792 7.340 2.340 7 8 "[ **-**+ **]" 1
329 1 51 ALA HA 1 54 VAL H . . 5.000 3.801 3.643 4.012 . 0 0 "[ . 1]" 1
330 1 51 ALA HA 1 54 VAL HB . . 5.000 5.438 4.939 5.854 0.854 8 5 "[ * * -+ *]" 1
331 1 51 ALA HA 1 54 VAL QG . . 5.000 2.527 2.133 2.947 . 0 0 "[ . 1]" 1
332 1 51 ALA HA 1 97 ILE MD . . 5.000 4.210 2.961 5.299 0.299 7 0 "[ . 1]" 1
333 1 51 ALA MB 1 52 THR H . . 5.000 2.657 2.562 2.740 . 0 0 "[ . 1]" 1
334 1 51 ALA MB 1 52 THR MG . . 5.000 3.233 2.819 4.110 . 0 0 "[ . 1]" 1
335 1 51 ALA MB 1 53 SER H . . 5.000 4.364 4.274 4.418 . 0 0 "[ . 1]" 1
336 1 51 ALA MB 1 76 VAL QG . . 3.400 2.208 1.766 3.400 0.000 3 0 "[ . 1]" 1
337 1 51 ALA MB 1 80 VAL QG . . 3.400 2.616 2.091 4.114 0.714 3 1 "[ + . 1]" 1
338 1 51 ALA MB 1 93 TYR QE . . 5.000 2.535 1.894 3.442 . 0 0 "[ . 1]" 1
339 1 51 ALA MB 1 97 ILE MD . . 5.000 3.491 2.207 4.399 . 0 0 "[ . 1]" 1
340 1 51 ALA MB 1 97 ILE MG . . 5.000 4.333 2.462 5.627 0.627 9 1 "[ . +1]" 1
341 1 52 THR H 1 52 THR HB . . 3.400 3.501 2.499 3.655 0.255 8 0 "[ . 1]" 1
342 1 52 THR H 1 52 THR MG . . 3.400 2.382 1.982 3.195 . 0 0 "[ . 1]" 1
343 1 52 THR HA 1 55 ALA H . . 5.000 3.305 3.134 3.485 . 0 0 "[ . 1]" 1
344 1 52 THR HA 1 55 ALA MB . . 3.400 2.537 2.071 3.236 . 0 0 "[ . 1]" 1
345 1 52 THR HA 1 56 GLN H . . 5.000 4.284 3.836 5.141 0.141 3 0 "[ . 1]" 1
346 1 52 THR HA 1 76 VAL QG . . 5.000 2.697 1.941 3.362 . 0 0 "[ . 1]" 1
347 1 52 THR HB 1 53 SER H . . 3.400 3.890 3.371 4.088 0.688 5 6 "[ **+ **-]" 1
348 1 52 THR MG 1 53 SER H . . 5.000 3.835 2.272 4.338 . 0 0 "[ . 1]" 1
349 1 52 THR MG 1 55 ALA H . . 5.000 5.005 4.421 5.194 0.194 2 0 "[ . 1]" 1
350 1 52 THR MG 1 56 GLN H . . 5.000 5.483 4.892 5.701 0.701 5 7 "[** -+* **1]" 1
351 1 52 THR MG 1 73 LEU QD . . 5.000 3.112 1.984 4.196 . 0 0 "[ . 1]" 1
352 1 52 THR MG 1 76 VAL HB . . 5.000 5.022 4.114 5.821 0.821 3 2 "[ +-. 1]" 1
353 1 52 THR MG 1 77 SER H . . 5.000 3.345 2.413 5.228 0.228 3 0 "[ . 1]" 1
354 1 53 SER H 1 53 SER HB3 . . 3.400 2.866 2.070 3.614 0.214 4 0 "[ . 1]" 1
355 1 53 SER H 1 54 VAL HA . . 5.000 5.343 5.255 5.421 0.421 8 0 "[ . 1]" 1
356 1 53 SER H 1 54 VAL QG . . 5.000 3.545 3.427 3.654 . 0 0 "[ . 1]" 1
357 1 53 SER HA 1 56 GLN H . . 5.000 3.574 3.323 3.697 . 0 0 "[ . 1]" 1
358 1 53 SER HB3 1 54 VAL H . . 5.000 3.123 2.458 3.750 . 0 0 "[ . 1]" 1
359 1 54 VAL H 1 54 VAL HB . . 3.400 3.632 3.620 3.638 0.238 10 0 "[ . 1]" 1
360 1 54 VAL H 1 55 ALA MB . . 5.000 4.245 4.137 4.346 . 0 0 "[ . 1]" 1
361 1 54 VAL HA 1 55 ALA H . . 5.000 3.529 3.520 3.543 . 0 0 "[ . 1]" 1
362 1 54 VAL HA 1 57 ASN H . . 5.000 3.446 3.365 3.536 . 0 0 "[ . 1]" 1
363 1 54 VAL HA 1 57 ASN QB . . 3.400 2.850 2.622 3.284 . 0 0 "[ . 1]" 1
364 1 54 VAL HA 1 127 VAL QG . . 3.400 3.192 2.547 4.018 0.618 2 2 "[ + . -1]" 1
365 1 54 VAL HB 1 55 ALA H . . 3.400 3.867 3.718 4.005 0.605 5 5 "[ * + *- *]" 1
366 1 54 VAL HB 1 97 ILE MD . . 5.000 4.549 3.925 5.919 0.919 1 2 "[+ - . 1]" 1
367 1 54 VAL QG 1 55 ALA H . . 5.000 2.029 1.960 2.070 . 0 0 "[ . 1]" 1
368 1 54 VAL QG 1 56 GLN H . . 5.000 4.064 4.014 4.117 . 0 0 "[ . 1]" 1
369 1 54 VAL QG 1 57 ASN H . . 5.000 4.552 4.504 4.610 . 0 0 "[ . 1]" 1
370 1 54 VAL QG 1 58 VAL QG . . 3.400 3.527 3.096 3.897 0.497 4 0 "[ . 1]" 1
371 1 54 VAL QG 1 94 ALA MB . . 5.000 5.583 5.194 5.749 0.749 3 7 "[**+ ** -*1]" 1
372 1 54 VAL QG 1 97 ILE MD . . 5.000 2.601 2.001 3.507 . 0 0 "[ . 1]" 1
373 1 54 VAL QG 1 97 ILE MG . . 5.000 3.783 2.787 4.388 . 0 0 "[ . 1]" 1
374 1 54 VAL QG 1 101 ILE MD . . 5.000 5.346 3.920 5.870 0.870 5 5 "[ * *+- *]" 1
375 1 54 VAL QG 1 139 PHE QD . . 5.000 4.539 3.684 5.083 0.083 10 0 "[ . 1]" 1
376 1 54 VAL QG 1 139 PHE QE . . 5.000 3.419 1.938 5.703 0.703 9 1 "[ . +1]" 1
377 1 55 ALA H 1 55 ALA MB . . 3.400 2.197 2.074 2.241 . 0 0 "[ . 1]" 1
378 1 55 ALA H 1 56 GLN QB . . 5.000 4.348 4.303 4.400 . 0 0 "[ . 1]" 1
379 1 55 ALA H 1 97 ILE MG . . 5.000 6.021 4.173 6.685 1.685 3 8 "[ +-******]" 1
380 1 55 ALA H 1 101 ILE MD . . 5.000 6.794 4.995 8.104 3.104 5 9 "[** *+***-*]" 1
381 1 55 ALA HA 1 56 GLN H . . 5.000 3.534 3.529 3.552 . 0 0 "[ . 1]" 1
382 1 55 ALA HA 1 57 ASN H . . 5.000 4.374 4.235 4.501 . 0 0 "[ . 1]" 1
383 1 55 ALA HA 1 58 VAL H . . 5.000 3.573 3.382 3.691 . 0 0 "[ . 1]" 1
384 1 55 ALA HA 1 58 VAL HB . . 5.000 4.165 3.046 4.844 . 0 0 "[ . 1]" 1
385 1 55 ALA HA 1 101 ILE MD . . 3.400 4.708 3.299 5.988 2.588 10 7 "[-* ** ** +]" 1
386 1 55 ALA MB 1 56 GLN H . . 5.000 2.689 2.630 2.779 . 0 0 "[ . 1]" 1
387 1 55 ALA MB 1 57 ASN H . . 5.000 4.589 4.520 4.660 . 0 0 "[ . 1]" 1
388 1 55 ALA MB 1 72 LEU QD . . 5.000 3.762 2.302 5.662 0.662 8 1 "[ . + 1]" 1
389 1 55 ALA MB 1 73 LEU QD . . 5.000 2.170 1.697 3.585 . 0 0 "[ . 1]" 1
390 1 55 ALA MB 1 76 VAL QG . . 3.400 2.604 2.093 4.316 0.916 3 1 "[ + . 1]" 1
391 1 55 ALA MB 1 97 ILE MG . . 5.000 4.680 2.721 5.528 0.528 7 1 "[ . + 1]" 1
392 1 55 ALA MB 1 101 ILE MD . . 5.000 4.574 2.819 6.028 1.028 10 2 "[ - +]" 1
393 1 56 GLN H 1 56 GLN QB . . 3.400 2.195 2.088 2.252 . 0 0 "[ . 1]" 1
394 1 56 GLN H 1 56 GLN QG . . 5.000 3.874 3.298 4.046 . 0 0 "[ . 1]" 1
395 1 56 GLN H 1 57 ASN QB . . 5.000 4.407 4.284 4.885 . 0 0 "[ . 1]" 1
396 1 56 GLN H 1 73 LEU QD . . 5.000 2.864 2.345 4.089 . 0 0 "[ . 1]" 1
397 1 56 GLN HA 1 57 ASN H . . 5.000 3.554 3.549 3.566 . 0 0 "[ . 1]" 1
398 1 56 GLN HA 1 69 MET ME . . 3.400 4.055 1.953 5.115 1.715 8 7 "[** *.* +-*]" 1
399 1 56 GLN QB 1 57 ASN H . . 3.400 2.599 2.517 2.733 . 0 0 "[ . 1]" 1
400 1 56 GLN QB 1 69 MET ME . . 5.000 5.142 3.747 6.017 1.017 6 4 "[*- .+ * 1]" 1
401 1 56 GLN QB 1 73 LEU QD . . 5.000 2.480 1.830 3.399 . 0 0 "[ . 1]" 1
402 1 56 GLN QG 1 57 ASN H . . 5.000 4.074 3.560 4.465 . 0 0 "[ . 1]" 1
403 1 56 GLN QG 1 69 MET QB . . 5.000 4.864 4.154 5.359 0.359 4 0 "[ . 1]" 1
404 1 56 GLN QG 1 69 MET ME . . 3.400 3.862 2.539 5.480 2.080 1 4 "[+* .* - 1]" 1
405 1 57 ASN H 1 57 ASN QB . . 2.800 2.193 2.067 2.606 . 0 0 "[ . 1]" 1
406 1 57 ASN H 1 58 VAL HB . . 5.000 5.624 4.960 6.323 1.323 3 4 "[ + ** - 1]" 1
407 1 57 ASN HA 1 58 VAL H . . 5.000 3.577 3.567 3.581 . 0 0 "[ . 1]" 1
408 1 57 ASN HA 1 60 ASN H . . 5.000 3.670 3.574 3.777 . 0 0 "[ . 1]" 1
409 1 57 ASN QB 1 58 VAL H . . 3.400 2.510 2.381 2.568 . 0 0 "[ . 1]" 1
410 1 57 ASN QB 1 127 VAL QG . . 5.000 3.527 2.460 4.482 . 0 0 "[ . 1]" 1
411 1 58 VAL H 1 58 VAL HB . . 2.800 3.024 2.559 3.636 0.836 3 4 "[ + -* * 1]" 1
412 1 58 VAL H 1 58 VAL QG . . 3.400 1.932 1.802 2.135 . 0 0 "[ . 1]" 1
413 1 58 VAL H 1 59 GLY HA3 . . 5.000 4.925 4.888 4.972 . 0 0 "[ . 1]" 1
414 1 58 VAL H 1 69 MET ME . . 5.000 6.670 5.071 7.722 2.722 4 9 "[**-+** ***]" 1
415 1 58 VAL H 1 101 ILE MD . . 5.000 6.156 4.777 7.008 2.008 8 8 "[-**** *+ *]" 1
416 1 58 VAL HA 1 59 GLY H . . 5.000 3.553 3.540 3.580 . 0 0 "[ . 1]" 1
417 1 58 VAL HA 1 61 GLN H . . 5.000 3.637 3.343 3.742 . 0 0 "[ . 1]" 1
418 1 58 VAL HB 1 59 GLY H . . 3.400 3.596 2.473 3.999 0.599 7 4 "[ * -. + *1]" 1
419 1 58 VAL HB 1 101 ILE MD . . 5.000 4.489 3.257 5.958 0.958 3 1 "[ + . 1]" 1
420 1 58 VAL QG 1 60 ASN H . . 5.000 4.194 4.061 4.538 . 0 0 "[ . 1]" 1
421 1 58 VAL QG 1 62 LEU QD . . 5.000 3.156 2.122 4.343 . 0 0 "[ . 1]" 1
422 1 58 VAL QG 1 101 ILE MD . . 5.000 2.824 1.737 3.664 . 0 0 "[ . 1]" 1
423 1 58 VAL QG 1 101 ILE MG . . 5.000 3.102 2.166 4.289 . 0 0 "[ . 1]" 1
424 1 58 VAL QG 1 123 ALA MB . . 3.400 2.137 1.786 3.043 . 0 0 "[ . 1]" 1
425 1 59 GLY H 1 72 LEU QD . . 5.000 5.006 4.027 6.346 1.346 8 2 "[ - . + 1]" 1
426 1 59 GLY HA2 1 60 ASN H . . 5.000 3.559 3.527 3.571 . 0 0 "[ . 1]" 1
427 1 59 GLY HA3 1 60 ASN H . . 5.000 2.827 2.783 2.932 . 0 0 "[ . 1]" 1
428 1 59 GLY HA3 1 69 MET ME . . 5.000 3.292 1.996 4.980 . 0 0 "[ . 1]" 1
429 1 60 ASN H 1 60 ASN QB . . 3.400 2.192 2.042 2.251 . 0 0 "[ . 1]" 1
430 1 60 ASN H 1 61 GLN QB . . 5.000 4.514 4.279 4.817 . 0 0 "[ . 1]" 1
431 1 60 ASN H 1 69 MET ME . . 5.000 4.072 2.509 4.850 . 0 0 "[ . 1]" 1
432 1 60 ASN HA 1 61 GLN H . . 5.000 3.549 3.541 3.573 . 0 0 "[ . 1]" 1
433 1 60 ASN HA 1 63 GLY H . . 5.000 3.276 3.057 3.562 . 0 0 "[ . 1]" 1
434 1 60 ASN HA 1 64 LEU H . . 5.000 5.027 3.990 6.758 1.758 6 3 "[* .+ -1]" 1
435 1 60 ASN HA 1 69 MET ME . . 5.000 3.694 2.287 5.236 0.236 1 0 "[ . 1]" 1
436 1 60 ASN QB 1 61 GLN H . . 3.400 2.655 2.466 2.765 . 0 0 "[ . 1]" 1
437 1 61 GLN H 1 61 GLN QB . . 3.400 2.257 2.029 2.519 . 0 0 "[ . 1]" 1
438 1 61 GLN H 1 61 GLN QG . . 3.400 3.129 2.039 4.007 0.607 4 3 "[ +*- 1]" 1
439 1 61 GLN HA 1 62 LEU H . . 5.000 3.516 3.470 3.561 . 0 0 "[ . 1]" 1
440 1 61 GLN QB 1 62 LEU H . . 5.000 2.782 2.529 3.019 . 0 0 "[ . 1]" 1
441 1 61 GLN QG 1 62 LEU H . . 5.000 4.226 3.425 4.714 . 0 0 "[ . 1]" 1
442 1 62 LEU H 1 62 LEU QD . . 5.000 3.062 2.305 3.690 . 0 0 "[ . 1]" 1
443 1 62 LEU H 1 62 LEU HG . . 3.400 3.714 1.925 4.381 0.981 1 6 "[+ -*** *]" 1
444 1 62 LEU HA 1 63 GLY H . . 5.000 3.454 3.205 3.485 . 0 0 "[ . 1]" 1
445 1 62 LEU QD 1 105 LEU QD . . 5.000 2.032 1.482 2.964 . 0 0 "[ . 1]" 1
446 1 62 LEU QD 1 111 ILE CG2 . . 5.000 4.292 2.412 5.735 0.735 8 1 "[ . + 1]" 1
447 1 62 LEU QD 1 119 ALA MB . . 5.000 2.774 1.954 3.676 . 0 0 "[ . 1]" 1
448 1 62 LEU QD 1 123 ALA MB . . 5.000 4.281 3.586 5.248 0.248 1 0 "[ . 1]" 1
449 1 63 GLY H 1 63 GLY HA2 . . 2.800 2.333 2.306 2.446 . 0 0 "[ . 1]" 1
450 1 63 GLY HA2 1 64 LEU H . . 3.400 2.671 2.176 3.476 0.076 1 0 "[ . 1]" 1
451 1 64 LEU H 1 64 LEU QD . . 5.000 3.133 2.265 3.896 . 0 0 "[ . 1]" 1
452 1 64 LEU H 1 64 LEU HG . . 3.400 3.752 2.634 5.182 1.782 6 5 "[*-* .+* 1]" 1
453 1 64 LEU H 1 68 ALA MB . . 5.000 5.912 4.701 6.956 1.956 3 8 "[*-+**** *1]" 1
454 1 64 LEU H 1 69 MET ME . . 5.000 4.974 2.842 6.820 1.820 9 5 "[-* ** +1]" 1
455 1 64 LEU HA 1 65 ASP H . . 2.800 2.606 2.149 3.574 0.774 2 1 "[ + . 1]" 1
456 1 64 LEU QB 1 65 ASP H . . 5.000 2.771 1.917 3.905 . 0 0 "[ . 1]" 1
457 1 64 LEU QB 1 69 MET H . . 5.000 4.367 3.605 6.084 1.084 6 1 "[ .+ 1]" 1
458 1 64 LEU QD 1 65 ASP H . . 5.000 3.205 2.165 4.424 . 0 0 "[ . 1]" 1
459 1 64 LEU QD 1 68 ALA MB . . 5.000 3.238 1.976 4.426 . 0 0 "[ . 1]" 1
460 1 64 LEU QD 1 69 MET H . . 5.000 4.487 2.587 5.762 0.762 6 2 "[ .+ - 1]" 1
461 1 64 LEU QD 1 69 MET ME . . 5.000 4.291 3.043 5.614 0.614 6 2 "[ -+ 1]" 1
462 1 64 LEU QD 1 105 LEU QD . . 5.000 2.972 1.965 5.223 0.223 6 0 "[ . 1]" 1
463 1 64 LEU HG 1 68 ALA MB . . 5.000 5.051 3.576 5.978 0.978 6 4 "[ * -+ * 1]" 1
464 1 65 ASP H 1 65 ASP QB . . 3.400 2.457 2.036 3.099 . 0 0 "[ . 1]" 1
465 1 65 ASP H 1 69 MET ME . . 5.000 5.767 4.254 7.225 2.225 6 5 "[ **+* -1]" 1
466 1 65 ASP HA 1 66 ALA H . . 2.800 2.228 2.136 2.397 . 0 0 "[ . 1]" 1
467 1 65 ASP QB 1 66 ALA H . . 3.400 3.312 2.646 4.007 0.607 6 1 "[ .+ 1]" 1
468 1 65 ASP QB 1 68 ALA MB . . 5.000 2.151 1.919 2.534 . 0 0 "[ . 1]" 1
469 1 66 ALA H 1 66 ALA MB . . 2.800 2.238 2.237 2.240 . 0 0 "[ . 1]" 1
470 1 66 ALA HA 1 67 ASN H . . 5.000 3.561 3.524 3.574 . 0 0 "[ . 1]" 1
471 1 66 ALA HA 1 69 MET H . . 5.000 3.633 3.334 4.016 . 0 0 "[ . 1]" 1
472 1 66 ALA HA 1 69 MET QB . . 5.000 2.916 2.427 4.050 . 0 0 "[ . 1]" 1
473 1 66 ALA MB 1 67 ASN H . . 3.400 2.498 2.415 2.705 . 0 0 "[ . 1]" 1
474 1 67 ASN H 1 67 ASN QB . . 2.800 2.138 2.053 2.318 . 0 0 "[ . 1]" 1
475 1 67 ASN HA 1 68 ALA H . . 5.000 3.563 3.550 3.567 . 0 0 "[ . 1]" 1
476 1 67 ASN QB 1 68 ALA H . . 3.400 2.593 2.497 2.670 . 0 0 "[ . 1]" 1
477 1 67 ASN QB 1 69 MET H . . 5.000 4.714 4.629 4.952 . 0 0 "[ . 1]" 1
478 1 68 ALA H 1 68 ALA MB . . 3.400 2.204 2.089 2.241 . 0 0 "[ . 1]" 1
479 1 68 ALA HA 1 69 MET H . . 5.000 3.557 3.547 3.589 . 0 0 "[ . 1]" 1
480 1 68 ALA HA 1 71 SER H . . 5.000 3.429 3.246 3.611 . 0 0 "[ . 1]" 1
481 1 68 ALA MB 1 69 MET H . . 3.400 2.517 2.200 2.657 . 0 0 "[ . 1]" 1
482 1 68 ALA MB 1 69 MET ME . . 5.000 5.208 4.429 5.966 0.966 4 3 "[ +. * -1]" 1
483 1 68 ALA MB 1 71 SER H . . 5.000 4.570 4.438 4.683 . 0 0 "[ . 1]" 1
484 1 68 ALA MB 1 72 LEU H . . 5.000 4.443 4.258 4.650 . 0 0 "[ . 1]" 1
485 1 68 ALA MB 1 72 LEU HA . . 5.000 5.961 5.791 6.050 1.050 2 10 [*+****-***] 1
486 1 68 ALA MB 1 72 LEU QD . . 5.000 3.795 2.572 5.027 0.027 2 0 "[ . 1]" 1
487 1 68 ALA MB 1 104 VAL H . . 5.000 7.383 5.102 9.221 4.221 8 9 "[** ****+*-]" 1
488 1 68 ALA MB 1 104 VAL QG . . 3.400 3.520 1.954 5.380 1.980 8 4 "[** . -+ 1]" 1
489 1 69 MET H 1 69 MET QB . . 3.400 2.276 2.028 2.616 . 0 0 "[ . 1]" 1
490 1 69 MET H 1 69 MET ME . . 5.000 4.355 3.946 5.207 0.207 7 0 "[ . 1]" 1
491 1 69 MET H 1 73 LEU QD . . 5.000 5.616 4.828 6.594 1.594 7 5 "[* -**+ 1]" 1
492 1 69 MET HA 1 72 LEU H . . 5.000 3.455 3.322 3.687 . 0 0 "[ . 1]" 1
493 1 69 MET QB 1 70 ASN H . . 5.000 2.685 2.442 3.441 . 0 0 "[ . 1]" 1
494 1 69 MET ME 1 72 LEU QD . . 5.000 3.898 1.814 5.444 0.444 9 0 "[ . 1]" 1
495 1 69 MET ME 1 73 LEU QD . . 5.000 3.417 2.001 4.487 . 0 0 "[ . 1]" 1
496 1 70 ASN H 1 70 ASN HA . . 2.800 2.844 2.836 2.876 0.076 3 0 "[ . 1]" 1
497 1 70 ASN H 1 70 ASN QB . . 2.800 2.175 2.042 2.330 . 0 0 "[ . 1]" 1
498 1 70 ASN HA 1 71 SER H . . 5.000 3.563 3.544 3.576 . 0 0 "[ . 1]" 1
499 1 70 ASN HA 1 73 LEU H . . 5.000 3.720 3.579 3.837 . 0 0 "[ . 1]" 1
500 1 70 ASN HA 1 73 LEU QD . . 5.000 2.977 1.899 4.576 . 0 0 "[ . 1]" 1
501 1 70 ASN HA 1 74 GLY H . . 5.000 4.552 4.192 5.015 0.015 5 0 "[ . 1]" 1
502 1 70 ASN QB 1 71 SER H . . 3.400 2.585 2.415 2.763 . 0 0 "[ . 1]" 1
503 1 71 SER H 1 71 SER QB . . 3.400 2.336 2.062 2.791 . 0 0 "[ . 1]" 1
504 1 71 SER HA 1 72 LEU H . . 5.000 3.555 3.534 3.579 . 0 0 "[ . 1]" 1
505 1 71 SER HA 1 73 LEU H . . 5.000 4.536 4.381 4.643 . 0 0 "[ . 1]" 1
506 1 71 SER HA 1 74 GLY H . . 5.000 3.479 3.300 3.795 . 0 0 "[ . 1]" 1
507 1 71 SER HA 1 75 ALA H . . 5.000 4.977 4.397 5.778 0.778 2 2 "[ + .- 1]" 1
508 1 72 LEU H 1 72 LEU HB2 . . 3.400 2.618 2.171 3.609 0.209 3 0 "[ . 1]" 1
509 1 72 LEU H 1 72 LEU HB3 . . 3.400 2.809 2.245 3.602 0.202 8 0 "[ . 1]" 1
510 1 72 LEU H 1 72 LEU QD . . 5.000 3.328 2.438 3.764 . 0 0 "[ . 1]" 1
511 1 72 LEU H 1 72 LEU HG . . 5.000 3.682 1.911 4.608 . 0 0 "[ . 1]" 1
512 1 72 LEU H 1 104 VAL QG . . 5.000 4.462 3.523 5.221 0.221 1 0 "[ . 1]" 1
513 1 72 LEU HA 1 75 ALA H . . 5.000 3.557 2.981 3.937 . 0 0 "[ . 1]" 1
514 1 72 LEU HA 1 104 VAL QG . . 3.400 3.772 1.926 4.779 1.379 9 6 "[*-* .* +*]" 1
515 1 72 LEU HB2 1 73 LEU H . . 5.000 3.446 2.415 3.983 . 0 0 "[ . 1]" 1
516 1 72 LEU HB3 1 73 LEU H . . 5.000 2.943 2.466 3.993 . 0 0 "[ . 1]" 1
517 1 72 LEU HB3 1 104 VAL QG . . 5.000 3.528 2.179 4.403 . 0 0 "[ . 1]" 1
518 1 72 LEU QD 1 73 LEU H . . 5.000 3.380 2.323 3.953 . 0 0 "[ . 1]" 1
519 1 72 LEU QD 1 101 ILE HA . . 5.000 2.340 1.880 4.395 . 0 0 "[ . 1]" 1
520 1 72 LEU QD 1 101 ILE MD . . 5.000 3.941 1.850 5.511 0.511 8 1 "[ . + 1]" 1
521 1 72 LEU QD 1 101 ILE MG . . 5.000 2.643 1.547 4.618 . 0 0 "[ . 1]" 1
522 1 72 LEU QD 1 104 VAL H . . 5.000 3.601 2.411 4.505 . 0 0 "[ . 1]" 1
523 1 72 LEU QD 1 104 VAL HB . . 5.000 2.634 1.878 3.998 . 0 0 "[ . 1]" 1
524 1 72 LEU QD 1 104 VAL QG . . 5.000 1.814 1.499 2.063 . 0 0 "[ . 1]" 1
525 1 72 LEU QD 1 105 LEU H . . 5.000 4.134 2.844 5.135 0.135 3 0 "[ . 1]" 1
526 1 72 LEU QD 1 105 LEU QD . . 5.000 3.338 2.000 4.447 . 0 0 "[ . 1]" 1
527 1 72 LEU HG 1 73 LEU H . . 5.000 4.061 2.201 5.023 0.023 9 0 "[ . 1]" 1
528 1 73 LEU H 1 73 LEU HB2 . . 3.400 2.524 2.040 3.554 0.154 5 0 "[ . 1]" 1
529 1 73 LEU H 1 73 LEU QD . . 5.000 2.991 2.191 3.717 . 0 0 "[ . 1]" 1
530 1 73 LEU H 1 73 LEU HG . . 3.400 3.364 1.908 4.475 1.075 7 5 "[** .*+ -1]" 1
531 1 73 LEU HA 1 74 GLY H . . 5.000 3.486 3.461 3.565 . 0 0 "[ . 1]" 1
532 1 73 LEU HA 1 76 VAL H . . 5.000 4.051 3.763 4.519 . 0 0 "[ . 1]" 1
533 1 73 LEU HB2 1 74 GLY H . . 5.000 3.449 2.589 4.245 . 0 0 "[ . 1]" 1
534 1 74 GLY H 1 75 ALA MB . . 5.000 4.109 3.898 4.226 . 0 0 "[ . 1]" 1
535 1 74 GLY HA2 1 75 ALA H . . 5.000 3.383 3.212 3.521 . 0 0 "[ . 1]" 1
536 1 74 GLY HA2 1 77 SER H . . 5.000 3.304 3.198 3.466 . 0 0 "[ . 1]" 1
537 1 75 ALA H 1 75 ALA MB . . 3.400 2.215 2.103 2.252 . 0 0 "[ . 1]" 1
538 1 75 ALA H 1 76 VAL QG . . 5.000 3.580 3.513 3.687 . 0 0 "[ . 1]" 1
539 1 75 ALA HA 1 76 VAL H . . 5.000 3.582 3.578 3.585 . 0 0 "[ . 1]" 1
540 1 75 ALA HA 1 78 GLY H . . 5.000 3.812 3.714 3.906 . 0 0 "[ . 1]" 1
541 1 75 ALA HA 1 79 TYR H . . 5.000 4.422 4.190 4.653 . 0 0 "[ . 1]" 1
542 1 75 ALA MB 1 76 VAL H . . 3.400 2.347 2.313 2.477 . 0 0 "[ . 1]" 1
543 1 75 ALA MB 1 77 SER H . . 5.000 4.338 4.317 4.357 . 0 0 "[ . 1]" 1
544 1 75 ALA MB 1 78 GLY H . . 5.000 4.756 4.671 4.882 . 0 0 "[ . 1]" 1
545 1 75 ALA MB 1 79 TYR QD . . 5.000 4.123 3.718 4.465 . 0 0 "[ . 1]" 1
546 1 75 ALA MB 1 79 TYR QE . . 5.000 4.709 3.786 5.924 0.924 7 1 "[ . + 1]" 1
547 1 76 VAL H 1 76 VAL HB . . 2.800 2.873 2.629 3.638 0.838 10 2 "[ - +]" 1
548 1 76 VAL H 1 76 VAL QG . . 3.400 1.835 1.706 1.916 . 0 0 "[ . 1]" 1
549 1 76 VAL H 1 77 SER QB . . 5.000 4.309 4.238 4.487 . 0 0 "[ . 1]" 1
550 1 76 VAL H 1 100 ALA MB . . 5.000 3.395 2.260 4.252 . 0 0 "[ . 1]" 1
551 1 76 VAL HA 1 77 SER H . . 5.000 3.537 3.532 3.542 . 0 0 "[ . 1]" 1
552 1 76 VAL HA 1 79 TYR H . . 5.000 3.016 2.909 3.099 . 0 0 "[ . 1]" 1
553 1 76 VAL HA 1 100 ALA MB . . 5.000 3.750 2.449 4.717 . 0 0 "[ . 1]" 1
554 1 76 VAL HB 1 77 SER H . . 3.400 3.982 3.814 4.076 0.676 2 8 [*+**.***-1] 1
555 1 76 VAL QG 1 77 SER H . . 5.000 2.058 2.013 2.108 . 0 0 "[ . 1]" 1
556 1 76 VAL QG 1 78 GLY H . . 5.000 4.065 4.021 4.159 . 0 0 "[ . 1]" 1
557 1 76 VAL QG 1 87 ILE MG . . 3.400 5.817 5.491 5.942 2.542 7 10 [****-*+***] 1
558 1 76 VAL QG 1 97 ILE MG . . 5.000 3.080 1.742 3.813 . 0 0 "[ . 1]" 1
559 1 76 VAL QG 1 100 ALA H . . 5.000 5.151 4.139 5.889 0.889 9 2 "[ .- +1]" 1
560 1 76 VAL QG 1 100 ALA MB . . 5.000 3.437 2.560 4.229 . 0 0 "[ . 1]" 1
561 1 76 VAL QG 1 101 ILE H . . 5.000 5.037 4.373 6.013 1.013 9 3 "[ - .* +1]" 1
562 1 76 VAL QG 1 101 ILE MD . . 5.000 5.420 4.820 5.848 0.848 10 5 "[ * ** - +]" 1
563 1 76 VAL QG 1 101 ILE QG . . 5.000 4.677 4.427 4.926 . 0 0 "[ . 1]" 1
564 1 77 SER H 1 77 SER QB . . 2.800 2.151 2.069 2.251 . 0 0 "[ . 1]" 1
565 1 77 SER HA 1 80 VAL H . . 5.000 4.154 3.980 4.516 . 0 0 "[ . 1]" 1
566 1 77 SER QB 1 78 GLY H . . 3.400 2.876 2.663 3.432 0.032 8 0 "[ . 1]" 1
567 1 78 GLY HA2 1 79 TYR H . . 5.000 3.488 3.445 3.527 . 0 0 "[ . 1]" 1
568 1 79 TYR H 1 79 TYR HB2 . . 3.400 2.130 2.066 2.206 . 0 0 "[ . 1]" 1
569 1 79 TYR H 1 79 TYR HB3 . . 3.400 3.250 2.889 3.521 0.121 1 0 "[ . 1]" 1
570 1 79 TYR H 1 79 TYR QD . . 3.400 3.320 2.475 4.107 0.707 7 3 "[ * . + -]" 1
571 1 79 TYR H 1 80 VAL QG . . 5.000 3.465 3.380 3.655 . 0 0 "[ . 1]" 1
572 1 79 TYR H 1 100 ALA MB . . 5.000 5.492 3.968 6.430 1.430 10 6 "[ *-** *+]" 1
573 1 79 TYR HA 1 80 VAL H . . 5.000 3.548 3.497 3.586 . 0 0 "[ . 1]" 1
574 1 79 TYR HA 1 82 THR MG . . 5.000 4.327 2.855 5.235 0.235 7 0 "[ . 1]" 1
575 1 79 TYR HB2 1 80 VAL H . . 5.000 3.153 2.753 3.585 . 0 0 "[ . 1]" 1
576 1 79 TYR HB2 1 96 ALA MB . . 5.000 3.605 2.445 4.163 . 0 0 "[ . 1]" 1
577 1 79 TYR HB2 1 100 ALA MB . . 5.000 4.301 2.798 5.261 0.261 9 0 "[ . 1]" 1
578 1 79 TYR HB3 1 80 VAL H . . 5.000 2.968 2.365 3.511 . 0 0 "[ . 1]" 1
579 1 79 TYR QD 1 80 VAL QG . . 5.000 4.719 3.952 5.173 0.173 4 0 "[ . 1]" 1
580 1 79 TYR QD 1 96 ALA MB . . 5.000 2.343 1.869 2.931 . 0 0 "[ . 1]" 1
581 1 79 TYR QD 1 99 SER H . . 5.000 5.507 4.670 6.154 1.154 2 6 "[*+ ** -*]" 1
582 1 79 TYR QD 1 100 ALA H . . 5.000 4.868 3.138 5.549 0.549 9 1 "[ . +1]" 1
583 1 79 TYR QD 1 100 ALA MB . . 5.000 3.944 2.321 4.730 . 0 0 "[ . 1]" 1
584 1 79 TYR QE 1 83 LEU QD . . 5.000 4.816 2.214 5.723 0.723 6 5 "[* -*.+ *1]" 1
585 1 79 TYR QE 1 96 ALA HA . . 5.000 3.471 2.813 4.395 . 0 0 "[ . 1]" 1
586 1 79 TYR QE 1 96 ALA MB . . 5.000 3.518 2.688 4.634 . 0 0 "[ . 1]" 1
587 1 79 TYR QE 1 99 SER QB . . 5.000 3.300 2.274 4.022 . 0 0 "[ . 1]" 1
588 1 79 TYR QE 1 100 ALA H . . 5.000 4.869 3.736 5.976 0.976 1 1 "[+ . 1]" 1
589 1 79 TYR QE 1 100 ALA HA . . 5.000 5.347 4.009 5.798 0.798 9 6 "[- **** +1]" 1
590 1 79 TYR QE 1 100 ALA MB . . 5.000 4.430 3.765 5.227 0.227 1 0 "[ . 1]" 1
591 1 80 VAL H 1 80 VAL HB . . 3.400 3.440 2.625 3.637 0.237 5 0 "[ . 1]" 1
592 1 80 VAL H 1 80 VAL QG . . 3.400 1.900 1.818 2.077 . 0 0 "[ . 1]" 1
593 1 80 VAL HA 1 81 SER H . . 5.000 3.534 3.526 3.538 . 0 0 "[ . 1]" 1
594 1 80 VAL HA 1 83 LEU H . . 5.000 3.111 2.918 3.322 . 0 0 "[ . 1]" 1
595 1 80 VAL HA 1 83 LEU QD . . 5.000 2.730 1.936 3.809 . 0 0 "[ . 1]" 1
596 1 80 VAL HA 1 96 ALA MB . . 5.000 4.136 3.019 4.892 . 0 0 "[ . 1]" 1
597 1 80 VAL HB 1 81 SER H . . 3.400 3.831 3.754 4.088 0.688 4 2 "[ -+. 1]" 1
598 1 80 VAL QG 1 81 SER H . . 5.000 1.980 1.767 2.096 . 0 0 "[ . 1]" 1
599 1 80 VAL QG 1 83 LEU QD . . 5.000 3.149 1.899 4.126 . 0 0 "[ . 1]" 1
600 1 80 VAL QG 1 87 ILE MD . . 5.000 3.563 1.844 4.224 . 0 0 "[ . 1]" 1
601 1 80 VAL QG 1 93 TYR QD . . 5.000 3.130 2.423 3.847 . 0 0 "[ . 1]" 1
602 1 80 VAL QG 1 93 TYR QE . . 5.000 2.237 1.909 3.009 . 0 0 "[ . 1]" 1
603 1 80 VAL QG 1 97 ILE MG . . 5.000 4.770 2.459 5.846 0.846 9 3 "[ - +*]" 1
604 1 81 SER H 1 81 SER QB . . 2.800 2.132 2.062 2.249 . 0 0 "[ . 1]" 1
605 1 81 SER QB 1 82 THR H . . 5.000 2.912 2.421 3.467 . 0 0 "[ . 1]" 1
606 1 82 THR HA 1 83 LEU H . . 5.000 3.461 3.401 3.528 . 0 0 "[ . 1]" 1
607 1 82 THR HA 1 84 GLY H . . 5.000 4.649 3.748 6.720 1.720 2 1 "[ + . 1]" 1
608 1 83 LEU H 1 83 LEU QB . . 3.400 2.366 2.026 3.150 . 0 0 "[ . 1]" 1
609 1 83 LEU H 1 83 LEU QD . . 5.000 3.221 2.641 3.660 . 0 0 "[ . 1]" 1
610 1 83 LEU H 1 83 LEU HG . . 3.400 3.345 2.116 4.590 1.190 7 4 "[ *.-+ *1]" 1
611 1 83 LEU HA 1 83 LEU QD . . 3.400 2.235 1.843 3.445 0.045 8 0 "[ . 1]" 1
612 1 83 LEU HA 1 84 GLY H . . 5.000 2.922 2.206 3.599 . 0 0 "[ . 1]" 1
613 1 83 LEU QB 1 84 GLY H . . 5.000 3.112 1.810 4.060 . 0 0 "[ . 1]" 1
614 1 83 LEU QB 1 86 ALA H . . 5.000 4.100 2.541 5.931 0.931 9 1 "[ . +1]" 1
615 1 83 LEU QB 1 87 ILE H . . 5.000 5.982 5.132 6.920 1.920 9 9 [*****-**+1] 1
616 1 83 LEU QB 1 87 ILE MD . . 5.000 3.602 2.280 5.711 0.711 1 1 "[+ . 1]" 1
617 1 83 LEU QB 1 87 ILE MG . . 5.000 4.922 4.200 5.737 0.737 8 1 "[ . + 1]" 1
618 1 83 LEU QD 1 86 ALA H . . 5.000 3.592 2.233 5.296 0.296 2 0 "[ . 1]" 1
619 1 83 LEU QD 1 86 ALA MB . . 5.000 4.176 3.677 4.944 . 0 0 "[ . 1]" 1
620 1 83 LEU QD 1 87 ILE MD . . 3.400 2.889 1.922 4.280 0.880 1 2 "[+ - 1]" 1
621 1 83 LEU QD 1 87 ILE MG . . 5.000 3.674 3.271 4.059 . 0 0 "[ . 1]" 1
622 1 83 LEU QD 1 92 ALA MB . . 5.000 2.760 2.040 3.931 . 0 0 "[ . 1]" 1
623 1 83 LEU QD 1 96 ALA H . . 5.000 3.871 3.169 5.186 0.186 4 0 "[ . 1]" 1
624 1 83 LEU QD 1 96 ALA MB . . 5.000 2.444 1.795 3.497 . 0 0 "[ . 1]" 1
625 1 84 GLY HA2 1 86 ALA H . . 5.000 4.102 3.680 4.657 . 0 0 "[ . 1]" 1
626 1 85 ASN HA 1 85 ASN QB . . 2.800 2.437 2.175 2.549 . 0 0 "[ . 1]" 1
627 1 85 ASN HA 1 86 ALA H . . 5.000 3.480 3.362 3.587 . 0 0 "[ . 1]" 1
628 1 85 ASN HA 1 87 ILE H . . 5.000 5.824 3.727 6.982 1.982 3 6 "[ +-*** *]" 1
629 1 85 ASN QB 1 86 ALA H . . 5.000 2.915 2.353 3.617 . 0 0 "[ . 1]" 1
630 1 86 ALA H 1 86 ALA MB . . 3.400 2.715 2.253 3.004 . 0 0 "[ . 1]" 1
631 1 86 ALA HA 1 87 ILE H . . 5.000 2.363 2.125 2.715 . 0 0 "[ . 1]" 1
632 1 86 ALA HA 1 89 ASP H . . 5.000 4.740 4.146 5.441 0.441 5 0 "[ . 1]" 1
633 1 86 ALA HA 1 92 ALA MB . . 5.000 6.002 5.569 6.097 1.097 3 10 [**+**-****] 1
634 1 86 ALA MB 1 87 ILE H . . 5.000 3.127 2.108 3.736 . 0 0 "[ . 1]" 1
635 1 87 ILE H 1 87 ILE HB . . 3.400 2.830 2.652 3.612 0.212 5 0 "[ . 1]" 1
636 1 87 ILE H 1 87 ILE MD . . 5.000 2.915 1.900 3.721 . 0 0 "[ . 1]" 1
637 1 87 ILE H 1 87 ILE HG12 . . 5.000 2.170 1.880 3.241 . 0 0 "[ . 1]" 1
638 1 87 ILE H 1 87 ILE HG13 . . 3.400 3.458 2.108 3.733 0.333 6 0 "[ . 1]" 1
639 1 87 ILE MD 1 93 TYR QD . . 5.000 3.674 2.323 4.722 . 0 0 "[ . 1]" 1
640 1 87 ILE MD 1 93 TYR QE . . 5.000 3.994 2.824 5.537 0.537 9 1 "[ . +1]" 1
641 1 87 ILE MG 1 93 TYR QD . . 5.000 2.733 1.907 3.512 . 0 0 "[ . 1]" 1
642 1 87 ILE MG 1 93 TYR QE . . 5.000 3.157 1.909 4.790 . 0 0 "[ . 1]" 1
643 1 88 SER HA 1 89 ASP H . . 5.000 3.474 3.406 3.533 . 0 0 "[ . 1]" 1
644 1 89 ASP H 1 89 ASP HB2 . . 3.400 2.356 2.161 2.565 . 0 0 "[ . 1]" 1
645 1 89 ASP H 1 89 ASP HB3 . . 3.400 3.545 3.060 3.645 0.245 9 0 "[ . 1]" 1
646 1 89 ASP H 1 92 ALA MB . . 5.000 4.051 3.806 4.427 . 0 0 "[ . 1]" 1
647 1 89 ASP HA 1 90 ALA H . . 2.800 2.161 2.159 2.167 . 0 0 "[ . 1]" 1
648 1 89 ASP HB2 1 92 ALA H . . 5.000 3.541 3.107 4.281 . 0 0 "[ . 1]" 1
649 1 89 ASP HB2 1 92 ALA MB . . 3.400 2.263 1.838 3.220 . 0 0 "[ . 1]" 1
650 1 89 ASP HB3 1 90 ALA H . . 5.000 3.832 3.780 4.120 . 0 0 "[ . 1]" 1
651 1 89 ASP HB3 1 92 ALA MB . . 5.000 2.204 1.843 2.752 . 0 0 "[ . 1]" 1
652 1 90 ALA H 1 90 ALA MB . . 3.400 2.063 2.023 2.171 . 0 0 "[ . 1]" 1
653 1 90 ALA HA 1 91 SER H . . 5.000 3.561 3.544 3.586 . 0 0 "[ . 1]" 1
654 1 90 ALA HA 1 93 TYR H . . 5.000 3.647 3.565 3.733 . 0 0 "[ . 1]" 1
655 1 91 SER H 1 91 SER QB . . 2.800 2.391 2.124 2.931 0.131 3 0 "[ . 1]" 1
656 1 91 SER H 1 92 ALA HA . . 5.000 5.330 5.283 5.401 0.401 8 0 "[ . 1]" 1
657 1 91 SER H 1 92 ALA MB . . 5.000 4.387 4.321 4.479 . 0 0 "[ . 1]" 1
658 1 91 SER HA 1 92 ALA H . . 5.000 3.548 3.509 3.583 . 0 0 "[ . 1]" 1
659 1 91 SER QB 1 92 ALA H . . 3.400 2.778 2.346 3.243 . 0 0 "[ . 1]" 1
660 1 92 ALA H 1 92 ALA MB . . 3.400 2.226 2.188 2.247 . 0 0 "[ . 1]" 1
661 1 92 ALA HA 1 95 ASN H . . 5.000 3.627 3.409 3.862 . 0 0 "[ . 1]" 1
662 1 92 ALA MB 1 93 TYR H . . 5.000 2.295 2.186 2.435 . 0 0 "[ . 1]" 1
663 1 92 ALA MB 1 93 TYR QD . . 5.000 5.035 4.819 5.198 0.198 10 0 "[ . 1]" 1
664 1 93 TYR H 1 93 TYR QD . . 5.000 4.150 4.087 4.202 . 0 0 "[ . 1]" 1
665 1 93 TYR HA 1 94 ALA H . . 5.000 3.579 3.576 3.581 . 0 0 "[ . 1]" 1
666 1 93 TYR HA 1 96 ALA H . . 5.000 3.597 3.416 3.910 . 0 0 "[ . 1]" 1
667 1 93 TYR HB2 1 94 ALA H . . 5.000 3.732 3.472 3.867 . 0 0 "[ . 1]" 1
668 1 93 TYR HB3 1 94 ALA H . . 5.000 2.418 2.375 2.467 . 0 0 "[ . 1]" 1
669 1 93 TYR QD 1 97 ILE MD . . 5.000 4.550 3.007 5.275 0.275 8 0 "[ . 1]" 1
670 1 93 TYR QD 1 97 ILE MG . . 5.000 3.862 2.970 5.694 0.694 1 1 "[+ . 1]" 1
671 1 93 TYR QE 1 97 ILE MD . . 5.000 3.810 2.642 5.214 0.214 6 0 "[ . 1]" 1
672 1 93 TYR QE 1 97 ILE MG . . 5.000 3.831 2.576 5.189 0.189 1 0 "[ . 1]" 1
673 1 94 ALA H 1 94 ALA MB . . 3.400 2.222 2.120 2.244 . 0 0 "[ . 1]" 1
674 1 94 ALA HA 1 95 ASN H . . 5.000 3.519 3.485 3.547 . 0 0 "[ . 1]" 1
675 1 94 ALA HA 1 97 ILE H . . 5.000 3.473 3.226 3.569 . 0 0 "[ . 1]" 1
676 1 94 ALA HA 1 97 ILE MG . . 5.000 2.352 1.885 3.965 . 0 0 "[ . 1]" 1
677 1 94 ALA MB 1 95 ASN H . . 3.400 2.721 2.585 2.895 . 0 0 "[ . 1]" 1
678 1 95 ASN H 1 95 ASN HB2 . . 3.400 2.532 2.077 2.776 . 0 0 "[ . 1]" 1
679 1 95 ASN H 1 95 ASN HB3 . . 3.400 2.679 2.304 3.498 0.098 2 0 "[ . 1]" 1
680 1 95 ASN H 1 96 ALA MB . . 5.000 4.292 4.230 4.440 . 0 0 "[ . 1]" 1
681 1 95 ASN HA 1 96 ALA H . . 5.000 3.544 3.523 3.570 . 0 0 "[ . 1]" 1
682 1 95 ASN HA 1 98 SER H . . 5.000 3.715 3.565 3.937 . 0 0 "[ . 1]" 1
683 1 95 ASN HA 1 99 SER H . . 5.000 4.203 3.814 4.554 . 0 0 "[ . 1]" 1
684 1 95 ASN HB2 1 96 ALA H . . 5.000 3.739 2.955 4.111 . 0 0 "[ . 1]" 1
685 1 95 ASN HB3 1 96 ALA H . . 5.000 2.890 2.678 3.390 . 0 0 "[ . 1]" 1
686 1 95 ASN HB3 1 96 ALA MB . . 5.000 4.117 3.996 4.429 . 0 0 "[ . 1]" 1
687 1 96 ALA H 1 96 ALA MB . . 3.400 2.092 2.036 2.246 . 0 0 "[ . 1]" 1
688 1 96 ALA H 1 97 ILE MD . . 5.000 6.037 4.454 6.543 1.543 8 7 "[ **** +-*]" 1
689 1 96 ALA H 1 97 ILE MG . . 5.000 3.987 3.598 5.871 0.871 1 1 "[+ . 1]" 1
690 1 96 ALA HA 1 97 ILE H . . 5.000 3.585 3.576 3.588 . 0 0 "[ . 1]" 1
691 1 96 ALA HA 1 99 SER H . . 5.000 3.632 3.455 3.755 . 0 0 "[ . 1]" 1
692 1 96 ALA HA 1 100 ALA H . . 5.000 4.567 3.963 4.978 . 0 0 "[ . 1]" 1
693 1 96 ALA MB 1 97 ILE H . . 3.400 2.429 2.314 2.528 . 0 0 "[ . 1]" 1
694 1 96 ALA MB 1 98 SER H . . 5.000 4.341 4.263 4.618 . 0 0 "[ . 1]" 1
695 1 97 ILE H 1 97 ILE HB . . 3.400 2.793 2.476 3.637 0.237 2 0 "[ . 1]" 1
696 1 97 ILE H 1 97 ILE MD . . 5.000 4.090 2.986 4.408 . 0 0 "[ . 1]" 1
697 1 97 ILE H 1 97 ILE QG . . 3.400 3.449 2.030 3.997 0.597 9 7 "[ ***- *+*]" 1
698 1 97 ILE HA 1 100 ALA H . . 5.000 3.337 3.201 3.569 . 0 0 "[ . 1]" 1
699 1 97 ILE HA 1 100 ALA MB . . 5.000 2.671 2.515 2.987 . 0 0 "[ . 1]" 1
700 1 97 ILE HB 1 98 SER H . . 5.000 3.819 2.410 4.052 . 0 0 "[ . 1]" 1
701 1 97 ILE MD 1 100 ALA H . . 5.000 6.075 5.721 6.452 1.452 1 10 [+*******-*] 1
702 1 97 ILE QG 1 98 SER H . . 5.000 3.437 2.147 4.017 . 0 0 "[ . 1]" 1
703 1 97 ILE MG 1 98 SER H . . 5.000 2.507 1.921 3.805 . 0 0 "[ . 1]" 1
704 1 97 ILE MG 1 99 SER H . . 5.000 4.525 4.123 5.323 0.323 7 0 "[ . 1]" 1
705 1 98 SER HA 1 101 ILE H . . 5.000 3.789 3.500 3.900 . 0 0 "[ . 1]" 1
706 1 99 SER H 1 99 SER QB . . 3.400 2.165 2.042 2.300 . 0 0 "[ . 1]" 1
707 1 99 SER H 1 100 ALA MB . . 5.000 4.219 4.113 4.384 . 0 0 "[ . 1]" 1
708 1 99 SER HA 1 100 ALA H . . 5.000 3.541 3.532 3.571 . 0 0 "[ . 1]" 1
709 1 99 SER HA 1 101 ILE H . . 5.000 4.947 4.828 5.051 0.051 2 0 "[ . 1]" 1
710 1 99 SER QB 1 100 ALA H . . 3.400 2.799 2.694 3.159 . 0 0 "[ . 1]" 1
711 1 100 ALA H 1 100 ALA MB . . 3.400 2.157 2.034 2.243 . 0 0 "[ . 1]" 1
712 1 100 ALA HA 1 101 ILE H . . 5.000 3.589 3.583 3.591 . 0 0 "[ . 1]" 1
713 1 100 ALA HA 1 103 ASN H . . 5.000 3.793 3.593 3.928 . 0 0 "[ . 1]" 1
714 1 100 ALA MB 1 101 ILE H . . 3.400 2.302 2.225 2.378 . 0 0 "[ . 1]" 1
715 1 100 ALA MB 1 104 VAL H . . 5.000 5.141 4.720 5.524 0.524 2 1 "[ + . 1]" 1
716 1 100 ALA MB 1 104 VAL QG . . 5.000 4.117 3.793 4.607 . 0 0 "[ . 1]" 1
717 1 101 ILE H 1 101 ILE HB . . 3.400 3.313 2.424 3.641 0.241 2 0 "[ . 1]" 1
718 1 101 ILE H 1 101 ILE MD . . 5.000 3.630 3.565 3.687 . 0 0 "[ . 1]" 1
719 1 101 ILE H 1 101 ILE QG . . 3.400 1.961 1.893 2.263 . 0 0 "[ . 1]" 1
720 1 101 ILE HB 1 102 GLY H . . 5.000 3.338 2.437 3.731 . 0 0 "[ . 1]" 1
721 1 101 ILE MD 1 104 VAL QG . . 5.000 4.472 2.945 5.291 0.291 4 0 "[ . 1]" 1
722 1 101 ILE MG 1 102 GLY H . . 5.000 3.798 3.007 4.074 . 0 0 "[ . 1]" 1
723 1 101 ILE MG 1 104 VAL H . . 5.000 5.126 4.569 5.500 0.500 2 0 "[ . 1]" 1
724 1 101 ILE MG 1 105 LEU H . . 5.000 5.005 3.613 5.876 0.876 2 4 "[ + * -* 1]" 1
725 1 101 ILE MG 1 105 LEU HG . . 5.000 5.293 3.093 6.075 1.075 1 7 "[+- ** ** *]" 1
726 1 102 GLY QA 1 103 ASN H . . 5.000 2.780 2.683 2.831 . 0 0 "[ . 1]" 1
727 1 102 GLY QA 1 111 ILE MD . . 5.000 4.564 4.218 4.969 . 0 0 "[ . 1]" 1
728 1 103 ASN H 1 104 VAL QG . . 5.000 3.754 3.509 4.138 . 0 0 "[ . 1]" 1
729 1 103 ASN H 1 106 ALA MB . . 5.000 4.883 4.479 5.263 0.263 10 0 "[ . 1]" 1
730 1 103 ASN HA 1 104 VAL H . . 5.000 3.574 3.544 3.584 . 0 0 "[ . 1]" 1
731 1 103 ASN HA 1 106 ALA H . . 5.000 3.746 3.506 3.888 . 0 0 "[ . 1]" 1
732 1 103 ASN HB2 1 104 VAL H . . 5.000 3.203 2.545 3.994 . 0 0 "[ . 1]" 1
733 1 103 ASN HB3 1 104 VAL H . . 5.000 2.874 2.466 3.378 . 0 0 "[ . 1]" 1
734 1 104 VAL H 1 104 VAL HB . . 3.400 3.004 2.482 3.635 0.235 10 0 "[ . 1]" 1
735 1 104 VAL H 1 104 VAL QG . . 3.400 1.960 1.757 2.155 . 0 0 "[ . 1]" 1
736 1 104 VAL HA 1 105 LEU H . . 5.000 3.543 3.531 3.573 . 0 0 "[ . 1]" 1
737 1 104 VAL HA 1 107 ASN H . . 5.000 3.478 3.243 3.638 . 0 0 "[ . 1]" 1
738 1 104 VAL HB 1 105 LEU H . . 3.400 3.458 2.455 4.007 0.607 1 3 "[+ .* -1]" 1
739 1 104 VAL QG 1 105 LEU H . . 5.000 2.340 1.941 3.256 . 0 0 "[ . 1]" 1
740 1 104 VAL QG 1 107 ASN H . . 5.000 4.384 4.227 4.560 . 0 0 "[ . 1]" 1
741 1 105 LEU H 1 105 LEU QD . . 5.000 2.670 2.196 3.373 . 0 0 "[ . 1]" 1
742 1 105 LEU H 1 105 LEU HG . . 3.400 4.062 3.173 4.474 1.074 4 8 "[* *+-****1]" 1
743 1 105 LEU H 1 111 ILE MD . . 5.000 5.946 5.061 6.993 1.993 10 7 "[**-*.* * +]" 1
744 1 105 LEU QD 1 111 ILE CG2 . . 5.000 3.919 2.461 5.867 0.867 8 2 "[ -. + 1]" 1
745 1 105 LEU HG 1 119 ALA MB . . 3.400 5.839 5.242 6.032 2.632 2 10 [*+*******-] 1
746 1 106 ALA H 1 106 ALA MB . . 3.400 2.232 2.211 2.243 . 0 0 "[ . 1]" 1
747 1 106 ALA HA 1 107 ASN H . . 5.000 3.547 3.530 3.573 . 0 0 "[ . 1]" 1
748 1 106 ALA HA 1 111 ILE MD . . 5.000 4.866 2.772 6.003 1.003 7 3 "[ . +- *]" 1
749 1 106 ALA MB 1 107 ASN H . . 3.400 2.596 2.425 2.701 . 0 0 "[ . 1]" 1
750 1 106 ALA MB 1 111 ILE MD . . 5.000 5.024 3.617 5.981 0.981 7 2 "[ . +- 1]" 1
751 1 107 ASN H 1 107 ASN QB . . 2.800 2.134 2.042 2.266 . 0 0 "[ . 1]" 1
752 1 107 ASN HA 1 108 SER H . . 5.000 3.488 3.466 3.511 . 0 0 "[ . 1]" 1
753 1 107 ASN QB 1 108 SER H . . 5.000 2.925 2.825 3.020 . 0 0 "[ . 1]" 1
754 1 108 SER H 1 108 SER HB3 . . 3.400 3.128 2.460 3.709 0.309 8 0 "[ . 1]" 1
755 1 109 GLY HA2 1 110 SER H . . 5.000 2.942 2.160 3.568 . 0 0 "[ . 1]" 1
756 1 109 GLY HA3 1 110 SER H . . 5.000 2.697 2.157 3.586 . 0 0 "[ . 1]" 1
757 1 110 SER H 1 110 SER HB2 . . 3.400 2.824 2.252 3.801 0.401 6 0 "[ . 1]" 1
758 1 110 SER H 1 110 SER HB3 . . 3.400 3.362 2.543 3.800 0.400 10 0 "[ . 1]" 1
759 1 111 ILE CG2 1 111 ILE MD . . 3.400 2.898 2.260 3.467 0.067 8 0 "[ . 1]" 1
760 1 111 ILE CG2 1 112 SER H . . 5.000 3.945 2.997 5.005 0.005 9 0 "[ . 1]" 1
761 1 111 ILE CG2 1 116 ALA HA . . 3.400 4.257 2.648 5.684 2.284 7 6 "[*-* .*+ *]" 1
762 1 111 ILE CG2 1 119 ALA MB . . 3.400 4.109 2.591 6.027 2.627 4 4 "[ *+. * -]" 1
763 1 111 ILE H 1 111 ILE QG . . 5.000 2.939 1.974 4.080 . 0 0 "[ . 1]" 1
764 1 111 ILE HA 1 112 SER H . . 3.400 2.870 2.173 3.587 0.187 5 0 "[ . 1]" 1
765 1 111 ILE HB 1 112 SER H . . 3.400 3.611 2.238 4.646 1.246 10 6 "[* -. ***+]" 1
766 1 111 ILE MD 1 116 ALA H . . 5.000 5.991 4.975 7.917 2.917 8 6 "[ **. *+*-]" 1
767 1 111 ILE MD 1 116 ALA HA . . 5.000 4.496 3.170 5.658 0.658 8 1 "[ . + 1]" 1
768 1 111 ILE MD 1 116 ALA MB . . 5.000 3.831 2.132 6.031 1.031 8 1 "[ . + 1]" 1
769 1 111 ILE MD 1 119 ALA MB . . 5.000 4.351 3.175 5.127 0.127 6 0 "[ . 1]" 1
770 1 111 ILE QG 1 120 ALA MB . . 5.000 5.848 5.459 6.028 1.028 9 9 "[** ***-*+*]" 1
771 1 115 THR H 1 116 ALA MB . . 5.000 4.554 3.469 5.823 0.823 5 2 "[ -+ 1]" 1
772 1 115 THR HB 1 119 ALA MB . . 5.000 5.257 3.748 6.094 1.094 6 5 "[ - **+ * 1]" 1
773 1 115 THR MG 1 116 ALA H . . 5.000 3.190 1.945 4.269 . 0 0 "[ . 1]" 1
774 1 116 ALA H 1 116 ALA MB . . 3.400 2.561 2.186 2.932 . 0 0 "[ . 1]" 1
775 1 116 ALA MB 1 120 ALA H . . 5.000 5.092 3.543 6.481 1.481 8 3 "[ .* +-1]" 1
776 1 119 ALA H 1 119 ALA MB . . 3.400 2.231 2.115 2.257 . 0 0 "[ . 1]" 1
777 1 119 ALA H 1 120 ALA MB . . 5.000 4.257 4.065 4.440 . 0 0 "[ . 1]" 1
778 1 119 ALA H 1 121 SER QB . . 5.000 5.014 4.651 5.508 0.508 4 1 "[ +. 1]" 1
779 1 119 ALA MB 1 120 ALA H . . 5.000 2.571 2.294 3.007 . 0 0 "[ . 1]" 1
780 1 119 ALA MB 1 121 SER QB . . 5.000 5.507 5.320 5.865 0.865 4 4 "[ +-* *1]" 1
781 1 120 ALA H 1 120 ALA MB . . 3.400 2.083 2.026 2.236 . 0 0 "[ . 1]" 1
782 1 120 ALA H 1 121 SER QB . . 5.000 4.405 4.316 4.500 . 0 0 "[ . 1]" 1
783 1 120 ALA HA 1 121 SER H . . 5.000 3.561 3.544 3.577 . 0 0 "[ . 1]" 1
784 1 120 ALA HA 1 123 ALA MB . . 5.000 2.780 2.187 3.231 . 0 0 "[ . 1]" 1
785 1 120 ALA MB 1 121 SER H . . 5.000 2.623 2.388 2.730 . 0 0 "[ . 1]" 1
786 1 121 SER H 1 121 SER QB . . 2.800 2.191 2.093 2.256 . 0 0 "[ . 1]" 1
787 1 121 SER H 1 125 SER HA . . 5.000 8.086 7.846 8.343 3.343 4 10 [***+*****-] 1
788 1 121 SER HA 1 124 ALA H . . 5.000 3.731 3.465 3.912 . 0 0 "[ . 1]" 1
789 1 122 SER H 1 122 SER QB . . 3.400 2.314 2.056 2.676 . 0 0 "[ . 1]" 1
790 1 122 SER HA 1 124 ALA H . . 5.000 4.593 4.501 4.693 . 0 0 "[ . 1]" 1
791 1 122 SER QB 1 123 ALA H . . 3.400 2.487 2.227 2.689 . 0 0 "[ . 1]" 1
792 1 123 ALA H 1 123 ALA MB . . 3.400 2.161 2.039 2.236 . 0 0 "[ . 1]" 1
793 1 123 ALA HA 1 126 SER H . . 5.000 3.646 3.489 3.782 . 0 0 "[ . 1]" 1
794 1 123 ALA MB 1 124 ALA H . . 5.000 2.524 2.434 2.620 . 0 0 "[ . 1]" 1
795 1 123 ALA MB 1 125 SER H . . 5.000 4.356 4.309 4.465 . 0 0 "[ . 1]" 1
796 1 124 ALA H 1 124 ALA MB . . 3.400 2.226 2.035 2.253 . 0 0 "[ . 1]" 1
797 1 124 ALA H 1 125 SER QB . . 5.000 4.309 4.234 4.431 . 0 0 "[ . 1]" 1
798 1 124 ALA HA 1 125 SER H . . 5.000 3.514 3.501 3.557 . 0 0 "[ . 1]" 1
799 1 124 ALA HA 1 127 VAL H . . 5.000 3.468 3.279 3.597 . 0 0 "[ . 1]" 1
800 1 124 ALA HA 1 127 VAL QG . . 5.000 2.467 1.892 3.380 . 0 0 "[ . 1]" 1
801 1 124 ALA MB 1 125 SER H . . 3.400 2.751 2.541 2.901 . 0 0 "[ . 1]" 1
802 1 124 ALA MB 1 127 VAL H . . 5.000 4.679 4.507 4.762 . 0 0 "[ . 1]" 1
803 1 125 SER H 1 125 SER QB . . 2.800 2.187 2.085 2.279 . 0 0 "[ . 1]" 1
804 1 125 SER HA 1 129 THR H . . 5.000 3.903 3.591 4.087 . 0 0 "[ . 1]" 1
805 1 125 SER HA 1 129 THR MG . . 5.000 4.622 3.356 6.039 1.039 4 3 "[ +. -*]" 1
806 1 126 SER H 1 126 SER HB3 . . 3.400 3.380 3.045 3.584 0.184 10 0 "[ . 1]" 1
807 1 126 SER HA 1 127 VAL H . . 5.000 3.572 3.568 3.575 . 0 0 "[ . 1]" 1
808 1 126 SER HB2 1 127 VAL H . . 5.000 2.922 2.597 3.408 . 0 0 "[ . 1]" 1
809 1 126 SER HB3 1 127 VAL H . . 5.000 3.002 2.579 3.426 . 0 0 "[ . 1]" 1
810 1 127 VAL H 1 127 VAL HB . . 3.400 2.786 2.336 3.637 0.237 3 0 "[ . 1]" 1
811 1 127 VAL H 1 127 VAL QG . . 3.400 1.969 1.791 2.425 . 0 0 "[ . 1]" 1
812 1 127 VAL H 1 132 THR MG . . 5.000 8.224 7.551 8.887 3.887 3 10 [**+**-****] 1
813 1 127 VAL HA 1 139 PHE QD . . 5.000 5.075 4.188 5.644 0.644 10 3 "[ -. * +]" 1
814 1 127 VAL HB 1 128 THR H . . 5.000 3.315 2.425 3.932 . 0 0 "[ . 1]" 1
815 1 127 VAL QG 1 128 THR H . . 5.000 2.405 1.885 3.224 . 0 0 "[ . 1]" 1
816 1 127 VAL QG 1 131 LEU H . . 5.000 5.125 3.748 6.554 1.554 3 4 "[- + . * *]" 1
817 1 127 VAL QG 1 139 PHE QD . . 5.000 4.243 3.378 5.132 0.132 5 0 "[ . 1]" 1
818 1 127 VAL QG 1 139 PHE QE . . 5.000 2.882 1.702 3.494 . 0 0 "[ . 1]" 1
819 1 127 VAL QG 1 139 PHE HZ . . 5.000 3.008 1.966 4.900 . 0 0 "[ . 1]" 1
820 1 128 THR HA 1 129 THR H . . 5.000 3.574 3.552 3.583 . 0 0 "[ . 1]" 1
821 1 128 THR HA 1 131 LEU H . . 5.000 5.236 3.477 7.623 2.623 10 5 "[- **. * +]" 1
822 1 128 THR HA 1 131 LEU QB . . 5.000 3.503 2.334 5.539 0.539 10 1 "[ . +]" 1
823 1 128 THR HA 1 131 LEU QD . . 5.000 3.498 2.709 3.902 . 0 0 "[ . 1]" 1
824 1 128 THR HB 1 129 THR MG . . 2.800 4.382 3.249 5.835 3.035 4 9 "[***+-** **]" 1
825 1 129 THR H 1 129 THR HB . . 3.400 3.062 2.485 3.633 0.233 6 0 "[ . 1]" 1
826 1 129 THR HA 1 130 THR H . . 5.000 3.561 3.522 3.575 . 0 0 "[ . 1]" 1
827 1 129 THR HA 1 132 THR H . . 5.000 3.930 3.407 5.351 0.351 4 0 "[ . 1]" 1
828 1 129 THR HB 1 130 THR H . . 5.000 3.360 2.458 3.967 . 0 0 "[ . 1]" 1
829 1 129 THR MG 1 130 THR H . . 5.000 3.260 1.926 4.008 . 0 0 "[ . 1]" 1
830 1 130 THR H 1 130 THR HB . . 3.400 2.923 2.566 3.641 0.241 10 0 "[ . 1]" 1
831 1 130 THR HA 1 131 LEU H . . 5.000 2.849 2.425 3.583 . 0 0 "[ . 1]" 1
832 1 130 THR HB 1 131 LEU H . . 3.400 3.615 2.279 4.472 1.072 3 5 "[**+ - * 1]" 1
833 1 130 THR HB 1 139 PHE HZ . . 5.000 4.107 2.606 6.022 1.022 7 2 "[ - + 1]" 1
834 1 130 THR MG 1 131 LEU H . . 5.000 3.760 1.937 4.304 . 0 0 "[ . 1]" 1
835 1 130 THR MG 1 134 TYR H . . 5.000 4.401 3.026 5.032 0.032 1 0 "[ . 1]" 1
836 1 130 THR MG 1 134 TYR QB . . 5.000 3.344 2.364 5.299 0.299 9 0 "[ . 1]" 1
837 1 130 THR MG 1 134 TYR QD . . 3.400 3.631 1.889 4.832 1.432 9 5 "[*** - +1]" 1
838 1 130 THR MG 1 134 TYR QE . . 5.000 4.591 2.728 5.889 0.889 9 4 "[-** . +1]" 1
839 1 130 THR MG 1 138 VAL QG . . 3.400 3.023 1.589 4.444 1.044 10 1 "[ . +]" 1
840 1 130 THR MG 1 139 PHE QE . . 5.000 3.231 2.399 4.639 . 0 0 "[ . 1]" 1
841 1 130 THR MG 1 139 PHE HZ . . 5.000 4.119 2.737 5.883 0.883 7 2 "[ - + 1]" 1
842 1 131 LEU H 1 131 LEU QB . . 3.400 2.738 2.164 3.499 0.099 4 0 "[ . 1]" 1
843 1 131 LEU H 1 131 LEU QD . . 5.000 3.618 2.033 4.193 . 0 0 "[ . 1]" 1
844 1 131 LEU H 1 131 LEU HG . . 5.000 4.276 3.320 4.722 . 0 0 "[ . 1]" 1
845 1 131 LEU H 1 139 PHE QE . . 5.000 4.688 3.322 6.784 1.784 7 2 "[ - . + 1]" 1
846 1 131 LEU H 1 139 PHE HZ . . 5.000 6.806 4.939 9.093 4.093 7 9 [*****-+**1] 1
847 1 131 LEU HA 1 134 TYR H . . 5.000 4.771 4.322 4.984 . 0 0 "[ . 1]" 1
848 1 131 LEU HA 1 135 GLY H . . 5.000 3.914 3.400 4.680 . 0 0 "[ . 1]" 1
849 1 131 LEU QB 1 132 THR H . . 5.000 2.725 2.312 3.293 . 0 0 "[ . 1]" 1
850 1 131 LEU QD 1 132 THR MG . . 5.000 3.087 1.874 4.252 . 0 0 "[ . 1]" 1
851 1 131 LEU QD 1 136 PRO HA . . 5.000 2.542 1.763 3.322 . 0 0 "[ . 1]" 1
852 1 131 LEU QD 1 139 PHE QD . . 5.000 2.766 1.696 3.986 . 0 0 "[ . 1]" 1
853 1 131 LEU QD 1 139 PHE QE . . 5.000 3.052 1.942 4.053 . 0 0 "[ . 1]" 1
854 1 132 THR H 1 132 THR HB . . 3.400 3.784 3.694 3.901 0.501 8 1 "[ . + 1]" 1
855 1 132 THR HA 1 133 SER H . . 5.000 3.549 3.517 3.572 . 0 0 "[ . 1]" 1
856 1 132 THR HB 1 133 SER H . . 5.000 3.863 3.759 3.983 . 0 0 "[ . 1]" 1
857 1 132 THR MG 1 133 SER H . . 5.000 3.673 3.547 3.899 . 0 0 "[ . 1]" 1
858 1 133 SER H 1 133 SER HB2 . . 3.400 2.494 2.075 3.526 0.126 1 0 "[ . 1]" 1
859 1 133 SER HA 1 134 TYR H . . 5.000 3.562 3.483 3.587 . 0 0 "[ . 1]" 1
860 1 133 SER HB2 1 134 TYR H . . 3.400 3.383 2.339 3.993 0.593 1 1 "[+ . 1]" 1
861 1 133 SER HB3 1 134 TYR H . . 5.000 2.863 2.341 3.773 . 0 0 "[ . 1]" 1
862 1 134 TYR H 1 134 TYR QB . . 3.400 2.437 2.169 3.110 . 0 0 "[ . 1]" 1
863 1 134 TYR H 1 134 TYR QD . . 5.000 3.267 2.130 4.321 . 0 0 "[ . 1]" 1
864 1 134 TYR H 1 138 VAL QG . . 5.000 4.164 3.718 4.814 . 0 0 "[ . 1]" 1
865 1 134 TYR HA 1 135 GLY H . . 5.000 3.475 3.434 3.507 . 0 0 "[ . 1]" 1
866 1 134 TYR QB 1 135 GLY H . . 5.000 3.011 2.885 3.320 . 0 0 "[ . 1]" 1
867 1 134 TYR QB 1 138 VAL QG . . 5.000 2.269 1.667 4.921 . 0 0 "[ . 1]" 1
868 1 134 TYR QD 1 138 VAL H . . 2.800 6.426 5.522 7.977 5.177 6 10 [*-***+****] 1
869 1 134 TYR QD 1 138 VAL QG . . 5.000 2.652 1.751 3.990 . 0 0 "[ . 1]" 1
870 1 134 TYR QE 1 138 VAL H . . 5.000 8.198 6.892 10.099 5.099 6 10 [*****+*-**] 1
871 1 135 GLY H 1 136 PRO HD3 . . 5.000 4.378 3.552 4.560 . 0 0 "[ . 1]" 1
872 1 136 PRO HA 1 137 ALA H . . 5.000 3.568 3.504 3.595 . 0 0 "[ . 1]" 1
873 1 136 PRO HA 1 139 PHE QD . . 5.000 4.397 3.216 5.766 0.766 7 1 "[ . + 1]" 1
874 1 136 PRO HD2 1 137 ALA H . . 5.000 2.946 2.620 3.564 . 0 0 "[ . 1]" 1
875 1 136 PRO QG 1 137 ALA H . . 3.400 1.881 1.683 2.191 . 0 0 "[ . 1]" 1
876 1 136 PRO QG 1 138 VAL HB . . 2.800 6.033 5.836 6.137 3.337 2 10 [*+*****-**] 1
877 1 137 ALA H 1 137 ALA MB . . 3.400 2.244 2.236 2.276 . 0 0 "[ . 1]" 1
878 1 137 ALA HA 1 138 VAL H . . 5.000 3.441 3.324 3.577 . 0 0 "[ . 1]" 1
879 1 137 ALA HA 1 140 TYR H . . 5.000 3.482 3.124 3.854 . 0 0 "[ . 1]" 1
880 1 137 ALA HA 1 140 TYR QD . . 5.000 3.679 2.448 5.665 0.665 9 1 "[ . +1]" 1
881 1 137 ALA MB 1 138 VAL H . . 5.000 2.936 2.393 3.234 . 0 0 "[ . 1]" 1
882 1 137 ALA MB 1 138 VAL QG . . 5.000 3.679 3.449 4.372 . 0 0 "[ . 1]" 1
883 1 137 ALA MB 1 140 TYR QD . . 5.000 3.977 2.272 4.861 . 0 0 "[ . 1]" 1
884 1 137 ALA MB 1 140 TYR QE . . 5.000 4.970 2.928 5.908 0.908 8 6 "[ * * -+**]" 1
885 1 138 VAL HA 1 139 PHE H . . 3.400 3.463 3.423 3.487 0.087 7 0 "[ . 1]" 1
886 1 138 VAL HA 1 141 ALA H . . 5.000 3.686 2.718 5.853 0.853 5 1 "[ + 1]" 1
887 1 138 VAL HB 1 139 PHE H . . 5.000 3.543 2.991 4.240 . 0 0 "[ . 1]" 1
888 1 138 VAL QG 1 139 PHE H . . 5.000 2.923 2.321 3.427 . 0 0 "[ . 1]" 1
889 1 138 VAL QG 1 139 PHE QD . . 5.000 4.049 2.653 4.693 . 0 0 "[ . 1]" 1
890 1 139 PHE H 1 139 PHE QB . . 3.400 2.087 2.047 2.204 . 0 0 "[ . 1]" 1
891 1 139 PHE H 1 139 PHE QD . . 5.000 3.729 3.503 4.091 . 0 0 "[ . 1]" 1
892 1 140 TYR H 1 140 TYR QD . . 5.000 3.326 2.545 4.185 . 0 0 "[ . 1]" 1
893 1 140 TYR HA 1 141 ALA H . . 3.400 3.401 2.408 3.591 0.191 8 0 "[ . 1]" 1
894 1 140 TYR QB 1 141 ALA H . . 5.000 2.908 2.129 3.904 . 0 0 "[ . 1]" 1
895 1 140 TYR QD 1 141 ALA H . . 5.000 4.400 3.642 4.881 . 0 0 "[ . 1]" 1
896 1 141 ALA H 1 141 ALA MB . . 3.400 2.778 2.235 2.938 . 0 0 "[ . 1]" 1
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