NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621717 |
5m1u   |
34052 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5m1u
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 886
_Distance_constraint_stats_list.Viol_count 2450
_Distance_constraint_stats_list.Viol_total 14491.896
_Distance_constraint_stats_list.Viol_max 1.742
_Distance_constraint_stats_list.Viol_rms 0.1463
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0409
_Distance_constraint_stats_list.Viol_average_violations_only 0.2958
_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 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.009 0.009 12 0 "[ . 1 . 2]"
1 7 PHE 9.516 1.096 12 5 "[ * *.* 1 +- . 2]"
1 8 GLN 6.599 0.859 12 1 "[ . 1 + . 2]"
1 9 PHE 5.346 1.096 12 5 "[ * *.* 1 +- . 2]"
1 10 ARG 1.400 0.728 19 1 "[ . 1 . +2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 6.607 0.450 17 0 "[ . 1 . 2]"
1 14 PHE 1.806 0.294 2 0 "[ . 1 . 2]"
1 15 GLY 0.732 0.218 2 0 "[ . 1 . 2]"
1 17 ASN 8.433 1.511 1 6 "[+ * ** 1 - * 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 8.433 1.511 1 6 "[+ * ** 1 - * 2]"
1 21 GLY 8.153 1.304 9 8 "[ **. +- * ** *]"
1 22 ALA 12.900 1.304 9 9 "[ **. +* * ** - *]"
1 23 PHE 5.061 0.477 13 0 "[ . 1 . 2]"
1 24 LEU 26.719 1.742 14 14 "[*** ****** * +.* -*2]"
1 25 LEU 15.145 1.742 14 12 "[*** **-*** * +. *2]"
1 26 ASN 4.752 0.793 4 3 "[ +. * 1 - . 2]"
1 27 SER 4.752 0.793 4 3 "[ +. * 1 - . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 1.156 0.166 2 0 "[ . 1 . 2]"
1 30 ALA 0.730 0.166 2 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 5.873 0.958 12 5 "[ **. * 1 + - 2]"
1 34 TYR 4.821 0.657 12 3 "[ . * 1 + - 2]"
1 35 LYS 7.989 0.958 12 5 "[ -*.* *1 + . 2]"
1 36 ASP 4.356 0.656 9 2 "[ .- +1 . 2]"
1 37 PRO 14.451 1.006 14 12 "[* * * ****+* -**2]"
1 38 SER 16.601 1.105 4 12 "[* +** * ** - .****2]"
1 39 TYR 2.539 0.315 13 0 "[ . 1 . 2]"
1 40 ASN 3.256 0.337 19 0 "[ . 1 . 2]"
1 41 ASP 1.802 0.207 6 0 "[ . 1 . 2]"
1 42 ASP 7.132 1.105 4 7 "[ +.* * - .** *2]"
1 43 PHE 2.740 0.453 1 0 "[ . 1 . 2]"
1 44 GLY 12.385 1.006 14 5 "[ . * * +* - 2]"
1 45 ILE 15.992 0.774 17 3 "[ . * . + *]"
1 46 GLU 20.273 0.774 17 8 "[ . * 1 ***+-**]"
1 47 THR 7.023 0.678 10 1 "[ . + . 2]"
1 48 PRO 10.793 0.964 8 8 "[ **.* + 1 * **- 2]"
1 49 SER 4.394 0.645 20 2 "[ . 1 . - +]"
1 50 ALA 4.784 0.539 10 1 "[ . + . 2]"
1 51 LEU 32.784 1.007 7 15 "[ **.*+ ********** -]"
1 52 ASP 5.252 0.696 3 3 "[ + . 1 . - *]"
1 53 ASN 26.333 1.007 7 14 "[ **.*+ **** ***** -]"
1 54 PHE 45.236 1.001 17 16 "[* **** -**** **+***]"
1 55 THR 6.541 0.940 1 3 "[+ * 1 . - 2]"
1 56 GLN 18.775 0.964 8 9 "[ **.* + 1** **- 2]"
1 57 ALA 19.100 1.001 17 12 "[ * .* *-**** **+ *2]"
1 58 ILE 46.738 0.963 8 20 [*******+**********-*]
1 59 GLN 11.941 1.230 4 5 "[ +. * 1 -* . *2]"
1 60 SER 0.789 0.355 11 0 "[ . 1 . 2]"
1 61 GLN 25.107 0.898 12 20 [***********+********]
1 62 ILE 8.760 1.230 4 2 "[ +. * 1 . 2]"
1 63 LEU 14.371 0.719 14 8 "[ * *. ** 1*- +. *]"
1 64 GLY 0.515 0.462 18 0 "[ . 1 . 2]"
1 65 GLY 0.961 0.179 9 0 "[ . 1 . 2]"
1 66 LEU 14.577 0.998 15 9 "[ * *. ** 1- **+* 2]"
1 67 LEU 12.164 0.732 13 3 "[ *. 1 + . *2]"
1 68 SER 6.412 0.522 4 2 "[ +. 1 - . 2]"
1 69 ASN 5.419 0.653 2 1 "[ + . 1 . 2]"
1 70 ILE 12.391 0.769 17 1 "[ . 1 . + 2]"
1 71 ASN 8.145 0.769 17 2 "[ . 1 -. + 2]"
1 72 THR 5.295 0.754 13 5 "[ * . -*1 +*. 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 14.731 0.754 13 7 "[ * . -*** + . * 2]"
1 75 PRO 6.434 0.619 11 3 "[ . *+ . - 2]"
1 76 GLY 19.123 1.646 9 9 "[* * *-* +1 * * *2]"
1 77 ARG 12.331 1.592 12 6 "[ **. - + * * 2]"
1 78 MET 8.486 1.002 6 4 "[ .+ 1** - 2]"
1 79 VAL 17.708 1.592 12 10 "[ ***. **+ -* * *2]"
1 80 THR 47.003 1.618 11 16 "[****** *+**-*****2]"
1 81 ASN 8.984 1.028 14 8 "[* *- * * +* *2]"
1 82 ASP 12.286 1.370 1 9 "[+-**** 1 * * *2]"
1 83 TYR 34.454 1.618 11 16 "[* ******1+** ******]"
1 84 ILE 35.680 1.111 11 20 [******-***+*********]
1 85 VAL 7.727 1.002 6 6 "[ * *.+ 1 * -. * 2]"
1 86 ASP 7.475 0.698 4 5 "[ * +. 1 * -. * 2]"
1 87 ILE 20.980 1.646 9 9 "[* * *-* +1 * * *2]"
1 88 ALA 26.244 1.454 18 10 "[* * * * * **. *+ -]"
1 89 ASN 17.801 1.243 20 8 "[ *.*** 1 * . -* +]"
1 90 ARG 20.983 1.454 18 12 "[* *** ** * ** . *+ -]"
1 91 ASP 1.824 0.606 8 1 "[ . + 1 . 2]"
1 92 GLY 1.572 0.375 20 0 "[ . 1 . 2]"
1 93 GLN 22.736 1.243 20 11 "[ ** .*** 1 ** .-** +]"
1 94 LEU 17.026 1.363 10 2 "[ . + .- 2]"
1 95 GLN 14.846 0.909 8 5 "[ *.* + 1 . * -]"
1 96 LEU 15.742 0.977 7 3 "[ . + 1- . *]"
1 97 ASN 12.251 0.909 8 9 "[- * + * **** * 2]"
1 98 VAL 27.333 1.366 7 16 "[ ** .*+******** ****]"
1 99 THR 32.595 1.280 12 12 "[ **. -*1*+**.** **]"
1 100 ASP 14.762 0.951 19 10 "[ - *. * 1*** * * +*]"
1 101 ARG 8.328 0.887 18 7 "[ . ***-** . + 2]"
1 102 LYS 15.260 1.463 2 5 "[ + . ** - *. 2]"
1 103 THR 24.431 1.463 2 13 "[*+ ** ** 1 **-* * **]"
1 104 GLY 10.309 1.090 19 9 "[ *. - 1****. * +*]"
1 105 GLN 29.060 1.280 12 14 "[ -**.****1*+* * * **]"
1 106 THR 16.509 0.816 19 7 "[ *.** 1*- * +2]"
1 107 SER 27.905 1.366 7 11 "[ * .*+ ** * ** ** -]"
1 108 THR 42.972 0.898 6 19 "[-****+**** *********]"
1 109 ILE 30.984 0.898 6 12 "[* ***+ * ** .* **-]"
1 110 GLN 22.693 0.834 10 12 "[* ** * +* **. ****]"
1 111 VAL 19.521 1.363 10 11 "[* * * +* **. ****]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 3.558 0.609 4 2 "[ +. 1 - . 2]"
1 114 LEU 14.767 0.937 7 8 "[ *. +* 1* - ** *2]"
1 115 GLN 12.218 0.937 7 6 "[ . +* 1* *- *2]"
1 116 ASN 0.808 0.510 13 1 "[ . 1 + . 2]"
1 119 THR 0.010 0.010 7 0 "[ . 1 . 2]"
1 120 ASP 0.010 0.010 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 MET QB 1 6 THR H . . 5.240 2.984 1.803 4.028 . 0 0 "[ . 1 . 2]" 1
2 1 6 THR HB 1 7 PHE H . . 4.450 3.695 1.811 4.459 0.009 12 0 "[ . 1 . 2]" 1
3 1 6 THR MG 1 7 PHE H . . 5.180 3.101 1.729 4.329 . 0 0 "[ . 1 . 2]" 1
4 1 7 PHE QB 1 8 GLN H . . 3.420 2.813 2.093 3.532 0.112 12 0 "[ . 1 . 2]" 1
5 1 7 PHE QB 1 8 GLN HA . . 4.040 4.211 3.798 4.899 0.859 12 1 "[ . 1 + . 2]" 1
6 1 7 PHE QB 1 9 PHE H . . 3.830 3.757 2.564 4.926 1.096 12 5 "[ * *.* 1 +- . 2]" 1
7 1 8 GLN H 1 8 GLN HB2 . . 3.660 3.131 2.324 3.962 0.302 15 0 "[ . 1 . 2]" 1
8 1 8 GLN H 1 8 GLN HB3 . . 3.780 3.459 2.793 4.085 0.305 17 0 "[ . 1 . 2]" 1
9 1 8 GLN H 1 8 GLN QG . . 3.990 3.336 1.928 4.326 0.336 12 0 "[ . 1 . 2]" 1
10 1 8 GLN HA 1 8 GLN QG . . 3.520 2.678 2.244 3.507 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN HB2 1 9 PHE H . . 4.850 4.035 2.350 4.586 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLN HB3 1 8 GLN QG . . 2.780 2.336 2.162 2.422 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN HB3 1 9 PHE H . . 4.820 3.804 2.008 4.583 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG H 1 10 ARG HB2 . . 4.180 3.008 2.123 3.854 . 0 0 "[ . 1 . 2]" 1
15 1 10 ARG H 1 10 ARG HB3 . . 4.040 3.387 2.531 4.108 0.068 14 0 "[ . 1 . 2]" 1
16 1 10 ARG H 1 10 ARG QD . . 4.590 4.176 2.418 5.318 0.728 19 1 "[ . 1 . +2]" 1
17 1 10 ARG H 1 10 ARG QG . . 4.560 3.229 1.802 4.378 . 0 0 "[ . 1 . 2]" 1
18 1 10 ARG H 1 11 ASN H . . 5.120 3.616 1.890 4.600 . 0 0 "[ . 1 . 2]" 1
19 1 10 ARG HB2 1 10 ARG QG . . 2.410 2.299 2.152 2.498 0.088 19 0 "[ . 1 . 2]" 1
20 1 10 ARG HB3 1 10 ARG QD . . 3.570 2.733 2.302 3.519 . 0 0 "[ . 1 . 2]" 1
21 1 10 ARG HB3 1 10 ARG QG . . 2.480 2.311 2.136 2.414 . 0 0 "[ . 1 . 2]" 1
22 1 13 ASN H 1 13 ASN HA . . 2.400 2.260 2.248 2.275 . 0 0 "[ . 1 . 2]" 1
23 1 13 ASN H 1 13 ASN HB2 . . 3.860 3.343 3.148 3.797 . 0 0 "[ . 1 . 2]" 1
24 1 13 ASN HA 1 13 ASN HB3 . . 2.580 2.856 2.492 3.030 0.450 17 0 "[ . 1 . 2]" 1
25 1 13 ASN HA 1 14 PHE H . . 2.400 2.262 2.085 2.681 0.281 9 0 "[ . 1 . 2]" 1
26 1 13 ASN HB2 1 14 PHE H . . 4.760 4.169 3.003 4.598 . 0 0 "[ . 1 . 2]" 1
27 1 14 PHE H 1 14 PHE HB2 . . 4.030 3.105 2.340 3.882 . 0 0 "[ . 1 . 2]" 1
28 1 14 PHE H 1 14 PHE HB3 . . 3.820 3.261 2.503 4.114 0.294 2 0 "[ . 1 . 2]" 1
29 1 14 PHE HA 1 15 GLY H . . 2.400 2.290 2.070 2.618 0.218 2 0 "[ . 1 . 2]" 1
30 1 17 ASN HA 1 18 PRO QD . . 3.240 1.931 1.767 2.265 . 0 0 "[ . 1 . 2]" 1
31 1 17 ASN QB 1 18 PRO QD . . 3.720 2.417 1.809 2.759 . 0 0 "[ . 1 . 2]" 1
32 1 17 ASN QB 1 19 ASN H . . 4.040 3.797 2.338 5.551 1.511 1 6 "[+ * ** 1 - * 2]" 1
33 1 21 GLY H 1 22 ALA HA . . 4.460 4.824 4.118 5.764 1.304 9 8 "[ **. +- * ** *]" 1
34 1 21 GLY QA 1 22 ALA MB . . 5.070 3.749 3.531 4.130 . 0 0 "[ . 1 . 2]" 1
35 1 22 ALA HA 1 23 PHE H . . 3.530 2.628 2.130 3.562 0.032 1 0 "[ . 1 . 2]" 1
36 1 22 ALA MB 1 23 PHE H . . 4.000 2.890 1.852 3.689 . 0 0 "[ . 1 . 2]" 1
37 1 22 ALA MB 1 24 LEU MD1 . . 4.830 3.781 2.049 5.482 0.652 12 3 "[ . *1 + . - 2]" 1
38 1 22 ALA MB 1 24 LEU MD2 . . 4.940 3.943 1.866 5.831 0.891 9 2 "[ . +1 .- 2]" 1
39 1 23 PHE H 1 24 LEU H . . 3.930 3.649 1.976 4.407 0.477 13 0 "[ . 1 . 2]" 1
40 1 23 PHE HA 1 24 LEU H . . 3.310 2.366 2.117 3.478 0.168 9 0 "[ . 1 . 2]" 1
41 1 23 PHE QB 1 24 LEU H . . 4.610 3.526 2.820 4.033 . 0 0 "[ . 1 . 2]" 1
42 1 23 PHE QB 1 24 LEU HA . . 4.350 4.409 4.164 4.698 0.348 2 0 "[ . 1 . 2]" 1
43 1 24 LEU H 1 24 LEU QB . . 3.460 2.731 2.295 3.319 . 0 0 "[ . 1 . 2]" 1
44 1 24 LEU H 1 24 LEU QD . . 5.060 2.787 1.855 3.790 . 0 0 "[ . 1 . 2]" 1
45 1 24 LEU H 1 24 LEU HG . . 4.010 3.292 1.763 4.614 0.604 12 1 "[ . 1 + . 2]" 1
46 1 24 LEU H 1 25 LEU HG . . 3.550 4.221 3.370 5.292 1.742 14 12 "[*** **-*** * +. *2]" 1
47 1 24 LEU HA 1 24 LEU HG . . 3.440 3.084 2.442 3.753 0.313 14 0 "[ . 1 . 2]" 1
48 1 24 LEU HA 1 25 LEU H . . 3.090 2.500 2.109 3.308 0.218 1 0 "[ . 1 . 2]" 1
49 1 24 LEU QB 1 25 LEU H . . 3.950 3.090 1.751 3.985 0.035 7 0 "[ . 1 . 2]" 1
50 1 25 LEU H 1 25 LEU QB . . 3.070 2.808 2.401 3.351 0.281 1 0 "[ . 1 . 2]" 1
51 1 25 LEU H 1 25 LEU QD . . 4.440 3.364 2.478 3.997 . 0 0 "[ . 1 . 2]" 1
52 1 25 LEU H 1 25 LEU HG . . 3.960 3.273 2.508 3.946 . 0 0 "[ . 1 . 2]" 1
53 1 25 LEU H 1 26 ASN H . . 5.190 3.704 1.735 4.654 . 0 0 "[ . 1 . 2]" 1
54 1 25 LEU HA 1 25 LEU QB . . 2.770 2.300 2.151 2.406 . 0 0 "[ . 1 . 2]" 1
55 1 25 LEU QB 1 26 ASN H . . 4.200 2.610 1.812 3.895 . 0 0 "[ . 1 . 2]" 1
56 1 26 ASN H 1 27 SER HA . . 4.770 4.849 3.980 5.563 0.793 4 3 "[ +. * 1 - . 2]" 1
57 1 27 SER QB 1 28 ALA MB . . 4.920 4.432 3.386 4.889 . 0 0 "[ . 1 . 2]" 1
58 1 28 ALA H 1 29 GLN H . . 5.180 4.070 2.257 4.631 . 0 0 "[ . 1 . 2]" 1
59 1 28 ALA MB 1 29 GLN H . . 3.610 2.792 1.799 3.599 . 0 0 "[ . 1 . 2]" 1
60 1 29 GLN H 1 29 GLN HB3 . . 3.970 3.243 2.487 4.117 0.147 9 0 "[ . 1 . 2]" 1
61 1 29 GLN H 1 29 GLN QG . . 4.410 3.308 1.960 4.216 . 0 0 "[ . 1 . 2]" 1
62 1 29 GLN HA 1 30 ALA H . . 3.500 2.695 2.087 3.536 0.036 11 0 "[ . 1 . 2]" 1
63 1 29 GLN HB2 1 30 ALA H . . 4.710 3.693 2.012 4.631 . 0 0 "[ . 1 . 2]" 1
64 1 29 GLN HB3 1 30 ALA H . . 4.950 3.411 1.730 4.565 . 0 0 "[ . 1 . 2]" 1
65 1 29 GLN QG 1 30 ALA H . . 4.320 3.746 1.977 4.486 0.166 2 0 "[ . 1 . 2]" 1
66 1 31 GLN H 1 31 GLN QG . . 4.950 2.948 1.858 4.527 . 0 0 "[ . 1 . 2]" 1
67 1 33 SER H 1 34 TYR HA . . 5.050 5.054 4.186 5.678 0.628 7 2 "[ . + 1 - 2]" 1
68 1 33 SER HA 1 35 LYS H . . 5.000 4.222 2.973 5.958 0.958 12 3 "[ -*. 1 + . 2]" 1
69 1 33 SER QB 1 34 TYR H . . 4.410 3.342 1.986 4.039 . 0 0 "[ . 1 . 2]" 1
70 1 34 TYR H 1 34 TYR QB . . 3.410 2.682 2.217 3.381 . 0 0 "[ . 1 . 2]" 1
71 1 34 TYR H 1 35 LYS H . . 5.290 2.950 1.823 4.570 . 0 0 "[ . 1 . 2]" 1
72 1 34 TYR H 1 35 LYS QB . . 5.080 4.646 3.365 5.737 0.657 12 1 "[ . 1 + . 2]" 1
73 1 34 TYR HA 1 35 LYS H . . 3.230 2.861 2.103 3.448 0.218 1 0 "[ . 1 . 2]" 1
74 1 34 TYR QB 1 35 LYS H . . 4.360 3.546 2.962 4.027 . 0 0 "[ . 1 . 2]" 1
75 1 35 LYS H 1 35 LYS QG . . 4.330 3.858 2.153 4.495 0.165 15 0 "[ . 1 . 2]" 1
76 1 35 LYS H 1 36 ASP H . . 5.080 3.298 2.296 4.642 . 0 0 "[ . 1 . 2]" 1
77 1 35 LYS HA 1 35 LYS QD . . 4.810 3.245 1.852 4.428 . 0 0 "[ . 1 . 2]" 1
78 1 35 LYS HA 1 35 LYS QG . . 3.960 2.656 2.155 3.354 . 0 0 "[ . 1 . 2]" 1
79 1 35 LYS HA 1 36 ASP H . . 3.020 2.767 2.136 3.192 0.172 18 0 "[ . 1 . 2]" 1
80 1 35 LYS QB 1 36 ASP H . . 4.570 3.431 1.757 4.022 . 0 0 "[ . 1 . 2]" 1
81 1 35 LYS QB 1 36 ASP HA . . 4.930 4.529 4.204 4.896 . 0 0 "[ . 1 . 2]" 1
82 1 35 LYS QG 1 36 ASP H . . 5.180 3.543 1.723 4.920 . 0 0 "[ . 1 . 2]" 1
83 1 35 LYS QG 1 36 ASP HA . . 5.380 4.553 3.315 6.036 0.656 9 2 "[ .- +1 . 2]" 1
84 1 36 ASP H 1 36 ASP HB2 . . 3.600 3.492 2.419 4.042 0.442 11 0 "[ . 1 . 2]" 1
85 1 36 ASP H 1 36 ASP HB3 . . 3.460 2.911 2.590 3.639 0.179 18 0 "[ . 1 . 2]" 1
86 1 36 ASP HA 1 37 PRO QD . . 3.090 2.045 1.754 2.325 . 0 0 "[ . 1 . 2]" 1
87 1 36 ASP HB2 1 37 PRO QD . . 3.830 2.344 1.775 3.793 . 0 0 "[ . 1 . 2]" 1
88 1 36 ASP HB3 1 37 PRO QD . . 4.100 3.144 2.140 3.610 . 0 0 "[ . 1 . 2]" 1
89 1 37 PRO HA 1 38 SER H . . 3.300 2.548 2.122 3.523 0.223 10 0 "[ . 1 . 2]" 1
90 1 37 PRO HA 1 44 GLY H . . 5.070 4.668 2.775 6.076 1.006 14 5 "[ . * * +* - 2]" 1
91 1 37 PRO QD 1 38 SER H . . 5.500 4.372 2.649 5.013 . 0 0 "[ . 1 . 2]" 1
92 1 37 PRO QD 1 44 GLY H . . 4.630 3.754 2.638 4.597 . 0 0 "[ . 1 . 2]" 1
93 1 37 PRO QD 1 45 ILE H . . 4.600 3.920 3.286 4.631 0.031 3 0 "[ . 1 . 2]" 1
94 1 37 PRO HG3 1 38 SER H . . 4.570 4.874 3.841 5.479 0.909 1 8 "[+ * * 1* - . ***2]" 1
95 1 38 SER H 1 38 SER QB . . 3.500 2.836 2.250 3.405 . 0 0 "[ . 1 . 2]" 1
96 1 38 SER H 1 39 TYR H . . 4.090 2.829 1.776 4.272 0.182 1 0 "[ . 1 . 2]" 1
97 1 38 SER H 1 42 ASP HA . . 5.080 4.816 2.050 6.185 1.105 4 3 "[ +.* 1 - . 2]" 1
98 1 38 SER H 1 42 ASP QB . . 5.330 4.019 2.407 6.057 0.727 19 4 "[ . - .** +2]" 1
99 1 38 SER QB 1 39 TYR H . . 4.150 2.960 1.889 3.913 . 0 0 "[ . 1 . 2]" 1
100 1 39 TYR H 1 39 TYR HB2 . . 3.730 3.134 2.272 4.009 0.279 7 0 "[ . 1 . 2]" 1
101 1 39 TYR H 1 39 TYR QB . . 3.490 2.838 2.246 3.300 . 0 0 "[ . 1 . 2]" 1
102 1 39 TYR H 1 39 TYR HB3 . . 3.560 3.462 2.636 3.875 0.315 13 0 "[ . 1 . 2]" 1
103 1 39 TYR HB2 1 40 ASN H . . 4.630 4.047 2.409 4.635 0.005 1 0 "[ . 1 . 2]" 1
104 1 40 ASN H 1 40 ASN HA . . 2.400 2.265 2.237 2.276 . 0 0 "[ . 1 . 2]" 1
105 1 40 ASN H 1 40 ASN HB2 . . 4.020 3.426 3.070 3.917 . 0 0 "[ . 1 . 2]" 1
106 1 40 ASN H 1 40 ASN HB3 . . 3.800 3.881 2.964 4.137 0.337 19 0 "[ . 1 . 2]" 1
107 1 41 ASP H 1 41 ASP QB . . 2.890 2.907 2.272 3.071 0.181 10 0 "[ . 1 . 2]" 1
108 1 41 ASP HA 1 41 ASP QB . . 2.720 2.370 2.168 2.440 . 0 0 "[ . 1 . 2]" 1
109 1 41 ASP HA 1 42 ASP H . . 2.810 2.301 2.087 3.017 0.207 6 0 "[ . 1 . 2]" 1
110 1 42 ASP H 1 42 ASP QB . . 3.200 2.616 2.222 3.182 . 0 0 "[ . 1 . 2]" 1
111 1 42 ASP HA 1 44 GLY H . . 5.300 3.932 3.023 4.893 . 0 0 "[ . 1 . 2]" 1
112 1 43 PHE H 1 43 PHE QB . . 3.270 2.667 2.357 3.227 . 0 0 "[ . 1 . 2]" 1
113 1 43 PHE H 1 44 GLY H . . 3.350 2.409 1.776 2.941 . 0 0 "[ . 1 . 2]" 1
114 1 43 PHE H 1 45 ILE H . . 5.090 4.496 3.131 5.051 . 0 0 "[ . 1 . 2]" 1
115 1 43 PHE HA 1 43 PHE QB . . 2.720 2.378 2.166 2.477 . 0 0 "[ . 1 . 2]" 1
116 1 43 PHE HA 1 44 GLY H . . 3.250 3.140 2.856 3.459 0.209 11 0 "[ . 1 . 2]" 1
117 1 43 PHE HA 1 45 ILE H . . 5.080 3.561 2.912 5.498 0.418 4 0 "[ . 1 . 2]" 1
118 1 43 PHE QB 1 44 GLY H . . 4.440 3.566 2.968 4.056 . 0 0 "[ . 1 . 2]" 1
119 1 43 PHE QB 1 45 ILE H . . 4.800 4.459 3.851 5.253 0.453 1 0 "[ . 1 . 2]" 1
120 1 44 GLY H 1 45 ILE H . . 3.640 2.836 1.963 3.401 . 0 0 "[ . 1 . 2]" 1
121 1 44 GLY H 1 45 ILE HG13 . . 5.410 3.781 3.172 5.333 . 0 0 "[ . 1 . 2]" 1
122 1 44 GLY H 1 45 ILE MG . . 5.500 5.802 5.307 6.023 0.523 17 1 "[ . 1 . + 2]" 1
123 1 44 GLY QA 1 45 ILE H . . 2.950 2.766 2.600 2.903 . 0 0 "[ . 1 . 2]" 1
124 1 44 GLY QA 1 45 ILE HG12 . . 5.500 4.821 4.288 5.279 . 0 0 "[ . 1 . 2]" 1
125 1 45 ILE H 1 45 ILE HB . . 3.160 2.609 2.494 2.760 . 0 0 "[ . 1 . 2]" 1
126 1 45 ILE H 1 45 ILE HG12 . . 3.890 3.362 2.007 3.920 0.030 16 0 "[ . 1 . 2]" 1
127 1 45 ILE H 1 45 ILE HG13 . . 3.670 2.398 1.956 3.929 0.259 3 0 "[ . 1 . 2]" 1
128 1 45 ILE H 1 45 ILE MG . . 3.870 3.810 3.764 3.904 0.034 14 0 "[ . 1 . 2]" 1
129 1 45 ILE H 1 46 GLU H . . 3.720 2.390 2.031 2.868 . 0 0 "[ . 1 . 2]" 1
130 1 45 ILE H 1 46 GLU HB2 . . 5.130 4.922 4.085 5.904 0.774 17 2 "[ . 1 . + -]" 1
131 1 45 ILE HA 1 45 ILE HG13 . . 4.220 3.173 3.057 3.736 . 0 0 "[ . 1 . 2]" 1
132 1 45 ILE HA 1 46 GLU H . . 3.390 3.431 2.912 3.569 0.179 11 0 "[ . 1 . 2]" 1
133 1 45 ILE HB 1 46 GLU H . . 3.830 2.839 1.987 4.043 0.213 14 0 "[ . 1 . 2]" 1
134 1 45 ILE HG12 1 46 GLU H . . 4.910 4.859 4.154 5.067 0.157 2 0 "[ . 1 . 2]" 1
135 1 45 ILE HG13 1 46 GLU H . . 5.350 4.213 3.845 5.213 . 0 0 "[ . 1 . 2]" 1
136 1 45 ILE MG 1 46 GLU H . . 4.050 3.658 2.923 4.246 0.196 15 0 "[ . 1 . 2]" 1
137 1 45 ILE MG 1 46 GLU HB2 . . 5.370 4.945 4.138 5.750 0.380 20 0 "[ . 1 . 2]" 1
138 1 45 ILE MG 1 47 THR H . . 5.010 4.472 2.312 5.688 0.678 10 1 "[ . + . 2]" 1
139 1 46 GLU H 1 46 GLU HB2 . . 3.620 2.928 2.299 3.641 0.021 20 0 "[ . 1 . 2]" 1
140 1 46 GLU H 1 46 GLU HB3 . . 3.670 3.584 2.483 4.120 0.450 8 0 "[ . 1 . 2]" 1
141 1 46 GLU H 1 46 GLU HG2 . . 4.130 3.539 1.948 4.901 0.771 19 4 "[ . 1 **- +2]" 1
142 1 46 GLU H 1 46 GLU HG3 . . 3.950 3.528 2.275 4.695 0.745 16 3 "[ . * 1 .+ - 2]" 1
143 1 46 GLU H 1 47 THR H . . 5.120 3.128 2.285 4.634 . 0 0 "[ . 1 . 2]" 1
144 1 46 GLU HA 1 46 GLU HG2 . . 3.890 2.884 2.400 3.775 . 0 0 "[ . 1 . 2]" 1
145 1 46 GLU HA 1 46 GLU HG3 . . 4.060 3.143 2.426 3.784 . 0 0 "[ . 1 . 2]" 1
146 1 46 GLU HB2 1 46 GLU HG3 . . 2.400 2.434 2.341 2.516 0.116 7 0 "[ . 1 . 2]" 1
147 1 46 GLU HB2 1 47 THR H . . 4.180 3.789 2.541 4.612 0.432 15 0 "[ . 1 . 2]" 1
148 1 46 GLU HB3 1 46 GLU HG2 . . 3.000 2.581 2.368 3.010 0.010 8 0 "[ . 1 . 2]" 1
149 1 46 GLU HB3 1 46 GLU HG3 . . 2.990 2.870 2.424 3.012 0.022 15 0 "[ . 1 . 2]" 1
150 1 46 GLU HB3 1 47 THR H . . 4.270 3.783 1.815 4.423 0.153 11 0 "[ . 1 . 2]" 1
151 1 46 GLU HG2 1 47 THR H . . 5.030 4.611 3.134 5.302 0.272 7 0 "[ . 1 . 2]" 1
152 1 46 GLU HG3 1 47 THR H . . 5.260 4.855 3.420 5.751 0.491 4 0 "[ . 1 . 2]" 1
153 1 47 THR H 1 47 THR HB . . 3.390 3.054 2.664 3.802 0.412 2 0 "[ . 1 . 2]" 1
154 1 47 THR H 1 47 THR MG . . 4.220 3.241 2.128 3.997 . 0 0 "[ . 1 . 2]" 1
155 1 47 THR H 1 48 PRO HA . . 4.990 4.594 4.279 4.845 . 0 0 "[ . 1 . 2]" 1
156 1 47 THR H 1 48 PRO HD2 . . 4.820 4.628 4.033 4.944 0.124 19 0 "[ . 1 . 2]" 1
157 1 47 THR H 1 48 PRO HD3 . . 4.850 3.533 3.050 3.881 . 0 0 "[ . 1 . 2]" 1
158 1 47 THR HA 1 47 THR MG . . 3.360 2.629 2.175 3.230 . 0 0 "[ . 1 . 2]" 1
159 1 47 THR HA 1 48 PRO HD2 . . 3.180 2.383 1.917 2.678 . 0 0 "[ . 1 . 2]" 1
160 1 47 THR HA 1 48 PRO HD3 . . 3.080 2.331 1.980 2.836 . 0 0 "[ . 1 . 2]" 1
161 1 47 THR MG 1 49 SER H . . 5.500 4.314 3.439 5.974 0.474 2 0 "[ . 1 . 2]" 1
162 1 48 PRO HA 1 50 ALA H . . 5.120 4.341 3.199 4.983 . 0 0 "[ . 1 . 2]" 1
163 1 48 PRO QB 1 49 SER H . . 4.070 3.723 3.341 3.903 . 0 0 "[ . 1 . 2]" 1
164 1 48 PRO QB 1 52 ASP HA . . 2.830 2.750 2.106 3.526 0.696 3 1 "[ + . 1 . 2]" 1
165 1 48 PRO QB 1 56 GLN QE . . 4.160 4.100 2.044 5.124 0.964 8 8 "[ **.* + 1 * **- 2]" 1
166 1 48 PRO QG 1 49 SER H . . 4.990 4.840 4.671 4.973 . 0 0 "[ . 1 . 2]" 1
167 1 49 SER H 1 50 ALA MB . . 5.500 4.250 3.768 4.802 . 0 0 "[ . 1 . 2]" 1
168 1 49 SER H 1 52 ASP QB . . 4.450 3.801 2.837 4.736 0.286 2 0 "[ . 1 . 2]" 1
169 1 49 SER HA 1 50 ALA H . . 3.480 3.545 3.337 3.590 0.110 8 0 "[ . 1 . 2]" 1
170 1 49 SER HA 1 51 LEU H . . 5.130 4.821 4.137 5.223 0.093 17 0 "[ . 1 . 2]" 1
171 1 49 SER QB 1 50 ALA H . . 3.860 2.288 1.816 3.269 . 0 0 "[ . 1 . 2]" 1
172 1 49 SER QB 1 51 LEU H . . 4.640 4.229 3.742 4.832 0.192 9 0 "[ . 1 . 2]" 1
173 1 49 SER QB 1 52 ASP H . . 5.010 4.941 4.533 5.655 0.645 20 2 "[ . 1 . - +]" 1
174 1 50 ALA H 1 50 ALA MB . . 3.220 2.339 2.222 2.814 . 0 0 "[ . 1 . 2]" 1
175 1 50 ALA H 1 51 LEU H . . 4.040 2.328 1.793 2.699 . 0 0 "[ . 1 . 2]" 1
176 1 50 ALA MB 1 51 LEU H . . 3.420 2.714 2.350 3.452 0.032 16 0 "[ . 1 . 2]" 1
177 1 50 ALA MB 1 51 LEU QD . . 4.580 3.580 2.731 4.220 . 0 0 "[ . 1 . 2]" 1
178 1 50 ALA MB 1 52 ASP H . . 5.360 4.262 4.079 4.565 . 0 0 "[ . 1 . 2]" 1
179 1 50 ALA MB 1 53 ASN H . . 5.500 5.457 4.632 6.039 0.539 10 1 "[ . + . 2]" 1
180 1 51 LEU H 1 51 LEU QB . . 3.070 2.693 2.452 3.021 . 0 0 "[ . 1 . 2]" 1
181 1 51 LEU H 1 51 LEU QD . . 4.290 2.282 1.729 3.024 . 0 0 "[ . 1 . 2]" 1
182 1 51 LEU H 1 52 ASP H . . 3.370 2.434 2.044 2.603 . 0 0 "[ . 1 . 2]" 1
183 1 51 LEU H 1 52 ASP HA . . 5.010 4.773 4.298 5.119 0.109 13 0 "[ . 1 . 2]" 1
184 1 51 LEU H 1 54 PHE QB . . 5.170 4.946 4.334 5.587 0.417 12 0 "[ . 1 . 2]" 1
185 1 51 LEU HA 1 51 LEU HG . . 3.710 3.671 3.622 3.712 0.002 17 0 "[ . 1 . 2]" 1
186 1 51 LEU HA 1 53 ASN H . . 4.680 4.378 3.776 4.984 0.304 14 0 "[ . 1 . 2]" 1
187 1 51 LEU HA 1 54 PHE QB . . 2.550 2.485 1.859 3.152 0.602 12 1 "[ . 1 + . 2]" 1
188 1 51 LEU QB 1 51 LEU QD . . 2.590 1.891 1.858 1.921 . 0 0 "[ . 1 . 2]" 1
189 1 51 LEU QB 1 52 ASP HA . . 4.780 4.552 4.431 4.650 . 0 0 "[ . 1 . 2]" 1
190 1 51 LEU QB 1 53 ASN H . . 5.070 5.445 4.997 5.939 0.869 14 7 "[ .* ** +.** -]" 1
191 1 51 LEU QB 1 54 PHE QB . . 4.850 3.227 2.623 3.723 . 0 0 "[ . 1 . 2]" 1
192 1 51 LEU QB 1 55 THR MG . . 5.500 3.894 3.009 5.175 . 0 0 "[ . 1 . 2]" 1
193 1 51 LEU QD 1 52 ASP H . . 4.730 3.032 2.220 3.746 . 0 0 "[ . 1 . 2]" 1
194 1 51 LEU QD 1 52 ASP QB . . 5.170 3.698 3.083 4.409 . 0 0 "[ . 1 . 2]" 1
195 1 51 LEU QD 1 54 PHE QB . . 3.980 4.252 3.794 4.616 0.636 9 3 "[ . +1* . -]" 1
196 1 51 LEU QD 1 54 PHE QD . . 4.310 4.474 3.919 5.043 0.733 9 6 "[ -. +1*** . *]" 1
197 1 51 LEU QD 1 55 THR H . . 5.310 4.154 3.232 4.747 . 0 0 "[ . 1 . 2]" 1
198 1 51 LEU QD 1 55 THR MG . . 4.100 2.998 2.058 4.041 . 0 0 "[ . 1 . 2]" 1
199 1 51 LEU HG 1 52 ASP H . . 3.730 3.135 2.719 3.723 . 0 0 "[ . 1 . 2]" 1
200 1 51 LEU HG 1 52 ASP HA . . 4.940 3.920 3.018 4.893 . 0 0 "[ . 1 . 2]" 1
201 1 51 LEU HG 1 53 ASN H . . 5.070 5.653 5.203 6.077 1.007 7 12 "[ **.-+ * * ***** *]" 1
202 1 52 ASP H 1 52 ASP QB . . 3.310 2.296 2.208 2.638 . 0 0 "[ . 1 . 2]" 1
203 1 52 ASP H 1 53 ASN H . . 3.680 2.814 2.538 3.056 . 0 0 "[ . 1 . 2]" 1
204 1 52 ASP QB 1 53 ASN H . . 3.870 2.487 2.126 3.320 . 0 0 "[ . 1 . 2]" 1
205 1 53 ASN H 1 53 ASN QB . . 3.060 2.332 2.209 2.679 . 0 0 "[ . 1 . 2]" 1
206 1 53 ASN H 1 53 ASN HD21 . . 4.950 3.849 2.242 4.796 . 0 0 "[ . 1 . 2]" 1
207 1 53 ASN H 1 54 PHE H . . 3.770 2.585 2.328 2.920 . 0 0 "[ . 1 . 2]" 1
208 1 53 ASN H 1 54 PHE QB . . 4.530 4.268 3.988 4.461 . 0 0 "[ . 1 . 2]" 1
209 1 53 ASN HA 1 56 GLN H . . 5.300 3.792 3.138 4.582 . 0 0 "[ . 1 . 2]" 1
210 1 53 ASN HA 1 56 GLN QB . . 3.550 2.851 1.838 3.700 0.150 11 0 "[ . 1 . 2]" 1
211 1 53 ASN HA 1 56 GLN HG2 . . 4.800 4.498 3.195 5.370 0.570 11 1 "[ . 1+ . 2]" 1
212 1 53 ASN QB 1 53 ASN HD21 . . 2.950 2.294 2.149 2.820 . 0 0 "[ . 1 . 2]" 1
213 1 53 ASN QB 1 53 ASN HD22 . . 3.440 3.306 3.211 3.488 0.048 1 0 "[ . 1 . 2]" 1
214 1 53 ASN QB 1 54 PHE H . . 3.750 2.985 2.532 3.728 . 0 0 "[ . 1 . 2]" 1
215 1 54 PHE H 1 54 PHE QB . . 3.060 2.291 2.227 2.569 . 0 0 "[ . 1 . 2]" 1
216 1 54 PHE H 1 54 PHE QD . . 4.440 4.203 4.165 4.353 . 0 0 "[ . 1 . 2]" 1
217 1 54 PHE H 1 55 THR MG . . 5.310 4.203 3.433 5.790 0.480 1 0 "[ . 1 . 2]" 1
218 1 54 PHE H 1 57 ALA MB . . 5.280 5.110 4.654 5.839 0.559 17 1 "[ . 1 . + 2]" 1
219 1 54 PHE HA 1 54 PHE QD . . 2.850 2.552 2.174 2.795 . 0 0 "[ . 1 . 2]" 1
220 1 54 PHE HA 1 57 ALA H . . 4.880 3.783 3.388 4.104 . 0 0 "[ . 1 . 2]" 1
221 1 54 PHE HA 1 57 ALA MB . . 3.370 3.297 2.666 3.967 0.597 17 1 "[ . 1 . + 2]" 1
222 1 54 PHE HA 1 58 ILE H . . 4.850 4.867 4.408 5.299 0.449 12 0 "[ . 1 . 2]" 1
223 1 54 PHE QB 1 55 THR H . . 3.550 2.313 2.096 2.489 . 0 0 "[ . 1 . 2]" 1
224 1 54 PHE QB 1 55 THR MG . . 4.280 4.088 3.604 5.220 0.940 1 3 "[+ * 1 . - 2]" 1
225 1 54 PHE QB 1 57 ALA MB . . 4.430 4.879 4.352 5.431 1.001 17 10 "[ * .* -** * **+ *2]" 1
226 1 54 PHE QB 1 58 ILE MD . . 4.760 4.374 3.843 5.256 0.496 12 0 "[ . 1 . 2]" 1
227 1 54 PHE QD 1 55 THR H . . 4.730 3.323 2.963 3.752 . 0 0 "[ . 1 . 2]" 1
228 1 54 PHE QD 1 55 THR MG . . 5.010 4.505 3.960 5.208 0.198 1 0 "[ . 1 . 2]" 1
229 1 54 PHE QD 1 57 ALA MB . . 5.130 4.433 3.643 5.047 . 0 0 "[ . 1 . 2]" 1
230 1 54 PHE QD 1 58 ILE H . . 5.360 5.545 5.173 5.879 0.519 12 2 "[ . 1 + . -2]" 1
231 1 54 PHE QD 1 58 ILE MD . . 4.020 3.195 2.541 4.247 0.227 12 0 "[ . 1 . 2]" 1
232 1 54 PHE QD 1 58 ILE HG12 . . 5.350 4.758 4.151 5.234 . 0 0 "[ . 1 . 2]" 1
233 1 54 PHE QD 1 58 ILE HG13 . . 5.420 4.191 3.824 4.437 . 0 0 "[ . 1 . 2]" 1
234 1 54 PHE QD 1 58 ILE MG . . 5.170 5.580 5.312 5.816 0.646 12 2 "[ . 1 + .- 2]" 1
235 1 55 THR H 1 55 THR HB . . 3.650 2.557 2.486 2.655 . 0 0 "[ . 1 . 2]" 1
236 1 55 THR H 1 55 THR MG . . 3.590 2.389 2.035 3.741 0.151 18 0 "[ . 1 . 2]" 1
237 1 55 THR H 1 56 GLN H . . 3.820 2.583 2.475 2.753 . 0 0 "[ . 1 . 2]" 1
238 1 55 THR H 1 56 GLN QB . . 5.190 4.371 4.101 4.779 . 0 0 "[ . 1 . 2]" 1
239 1 55 THR H 1 57 ALA H . . 5.050 4.278 4.015 4.571 . 0 0 "[ . 1 . 2]" 1
240 1 55 THR H 1 57 ALA MB . . 5.500 5.139 4.854 5.556 0.056 17 0 "[ . 1 . 2]" 1
241 1 55 THR H 1 58 ILE MD . . 5.470 4.458 3.978 5.849 0.379 8 0 "[ . 1 . 2]" 1
242 1 55 THR HA 1 58 ILE H . . 4.780 3.262 2.988 3.756 . 0 0 "[ . 1 . 2]" 1
243 1 55 THR HA 1 59 GLN H . . 4.870 4.527 4.199 5.032 0.162 12 0 "[ . 1 . 2]" 1
244 1 55 THR HB 1 56 GLN H . . 4.340 3.932 2.738 4.228 . 0 0 "[ . 1 . 2]" 1
245 1 55 THR MG 1 56 GLN H . . 4.400 2.718 2.317 3.894 . 0 0 "[ . 1 . 2]" 1
246 1 55 THR MG 1 56 GLN QE . . 4.460 3.493 2.205 4.661 0.201 18 0 "[ . 1 . 2]" 1
247 1 55 THR MG 1 59 GLN H . . 5.500 4.973 4.080 5.490 . 0 0 "[ . 1 . 2]" 1
248 1 55 THR MG 1 59 GLN HE21 . . 4.810 3.174 2.045 4.599 . 0 0 "[ . 1 . 2]" 1
249 1 55 THR MG 1 59 GLN HE22 . . 4.990 3.934 2.838 5.325 0.335 18 0 "[ . 1 . 2]" 1
250 1 55 THR MG 1 59 GLN HG3 . . 5.260 4.117 2.875 4.811 . 0 0 "[ . 1 . 2]" 1
251 1 56 GLN H 1 56 GLN QB . . 2.850 2.195 2.082 2.416 . 0 0 "[ . 1 . 2]" 1
252 1 56 GLN H 1 56 GLN HG2 . . 4.150 4.208 3.604 4.609 0.459 15 0 "[ . 1 . 2]" 1
253 1 56 GLN H 1 56 GLN HG3 . . 4.270 3.915 2.334 4.559 0.289 3 0 "[ . 1 . 2]" 1
254 1 56 GLN H 1 57 ALA H . . 3.740 2.493 2.367 2.676 . 0 0 "[ . 1 . 2]" 1
255 1 56 GLN H 1 57 ALA MB . . 4.790 4.203 4.057 4.388 . 0 0 "[ . 1 . 2]" 1
256 1 56 GLN H 1 58 ILE H . . 4.190 3.795 3.655 4.014 . 0 0 "[ . 1 . 2]" 1
257 1 56 GLN H 1 58 ILE HG13 . . 5.380 4.587 4.316 6.182 0.802 8 2 "[ . + 1 - . 2]" 1
258 1 56 GLN H 1 59 GLN HG3 . . 5.230 5.081 4.616 5.403 0.173 4 0 "[ . 1 . 2]" 1
259 1 56 GLN HA 1 56 GLN HG2 . . 4.100 3.363 2.527 3.694 . 0 0 "[ . 1 . 2]" 1
260 1 56 GLN HA 1 59 GLN HE21 . . 5.300 3.210 1.888 4.399 . 0 0 "[ . 1 . 2]" 1
261 1 56 GLN HA 1 59 GLN HG3 . . 4.290 3.018 2.248 3.767 . 0 0 "[ . 1 . 2]" 1
262 1 56 GLN QB 1 57 ALA H . . 3.630 2.737 2.388 3.073 . 0 0 "[ . 1 . 2]" 1
263 1 56 GLN QB 1 57 ALA MB . . 4.200 3.841 3.582 4.076 . 0 0 "[ . 1 . 2]" 1
264 1 56 GLN HG2 1 57 ALA H . . 5.390 5.154 4.730 5.504 0.114 2 0 "[ . 1 . 2]" 1
265 1 56 GLN HG3 1 57 ALA H . . 5.280 4.703 4.160 5.213 . 0 0 "[ . 1 . 2]" 1
266 1 57 ALA H 1 57 ALA MB . . 2.760 2.251 2.231 2.283 . 0 0 "[ . 1 . 2]" 1
267 1 57 ALA H 1 58 ILE HG13 . . 4.920 3.970 3.490 5.883 0.963 8 2 "[ . + 1 - . 2]" 1
268 1 57 ALA MB 1 58 ILE H . . 3.710 2.833 2.640 3.096 . 0 0 "[ . 1 . 2]" 1
269 1 57 ALA MB 1 58 ILE HA . . 4.410 3.911 3.809 4.010 . 0 0 "[ . 1 . 2]" 1
270 1 57 ALA MB 1 58 ILE MG . . 4.900 5.002 4.875 5.084 0.184 20 0 "[ . 1 . 2]" 1
271 1 57 ALA MB 1 60 SER H . . 5.500 4.623 4.317 4.977 . 0 0 "[ . 1 . 2]" 1
272 1 57 ALA MB 1 61 GLN HE21 . . 4.840 4.133 3.560 5.489 0.649 12 1 "[ . 1 + . 2]" 1
273 1 57 ALA MB 1 61 GLN QG . . 5.030 4.895 4.272 5.928 0.898 12 1 "[ . 1 + . 2]" 1
274 1 58 ILE H 1 58 ILE HB . . 3.020 2.607 2.509 2.678 . 0 0 "[ . 1 . 2]" 1
275 1 58 ILE H 1 58 ILE MD . . 4.030 3.665 3.202 3.902 . 0 0 "[ . 1 . 2]" 1
276 1 58 ILE H 1 58 ILE HG12 . . 3.550 3.009 2.217 3.283 . 0 0 "[ . 1 . 2]" 1
277 1 58 ILE H 1 58 ILE HG13 . . 3.390 2.273 1.995 3.771 0.381 12 0 "[ . 1 . 2]" 1
278 1 58 ILE H 1 58 ILE MG . . 3.790 3.782 3.769 3.806 0.016 1 0 "[ . 1 . 2]" 1
279 1 58 ILE H 1 59 GLN H . . 3.450 2.531 2.232 2.692 . 0 0 "[ . 1 . 2]" 1
280 1 58 ILE H 1 59 GLN HA . . 5.230 5.127 4.808 5.277 0.047 3 0 "[ . 1 . 2]" 1
281 1 58 ILE H 1 59 GLN HB2 . . 4.870 4.729 4.483 4.883 0.013 14 0 "[ . 1 . 2]" 1
282 1 58 ILE HA 1 58 ILE MD . . 4.260 3.581 1.927 3.796 . 0 0 "[ . 1 . 2]" 1
283 1 58 ILE HA 1 58 ILE HG12 . . 3.480 2.562 2.425 3.151 . 0 0 "[ . 1 . 2]" 1
284 1 58 ILE HA 1 58 ILE HG13 . . 3.590 3.298 3.161 3.751 0.161 12 0 "[ . 1 . 2]" 1
285 1 58 ILE HA 1 58 ILE MG . . 3.130 2.352 2.308 2.443 . 0 0 "[ . 1 . 2]" 1
286 1 58 ILE HA 1 60 SER H . . 5.150 3.994 3.617 4.415 . 0 0 "[ . 1 . 2]" 1
287 1 58 ILE HA 1 61 GLN H . . 4.680 3.334 3.193 3.800 . 0 0 "[ . 1 . 2]" 1
288 1 58 ILE HA 1 61 GLN QB . . 3.840 3.757 3.376 4.455 0.615 12 1 "[ . 1 + . 2]" 1
289 1 58 ILE HA 1 61 GLN HE21 . . 5.220 2.865 1.849 3.607 . 0 0 "[ . 1 . 2]" 1
290 1 58 ILE HA 1 61 GLN QG . . 3.950 2.053 1.732 2.963 . 0 0 "[ . 1 . 2]" 1
291 1 58 ILE HB 1 58 ILE MD . . 3.660 2.602 2.494 3.243 . 0 0 "[ . 1 . 2]" 1
292 1 58 ILE HB 1 59 GLN H . . 3.400 2.772 2.462 3.182 . 0 0 "[ . 1 . 2]" 1
293 1 58 ILE HB 1 59 GLN HG2 . . 5.110 4.464 3.635 4.891 . 0 0 "[ . 1 . 2]" 1
294 1 58 ILE MD 1 58 ILE MG . . 2.930 1.884 1.835 2.017 . 0 0 "[ . 1 . 2]" 1
295 1 58 ILE MD 1 59 GLN H . . 5.230 4.758 4.555 5.008 . 0 0 "[ . 1 . 2]" 1
296 1 58 ILE MD 1 61 GLN QB . . 5.420 5.919 4.027 6.131 0.711 1 18 "[+****** *** **-*****]" 1
297 1 58 ILE MD 1 61 GLN QG . . 5.010 4.548 3.356 5.113 0.103 7 0 "[ . 1 . 2]" 1
298 1 58 ILE HG12 1 59 GLN H . . 4.930 4.781 4.250 4.946 0.016 6 0 "[ . 1 . 2]" 1
299 1 58 ILE HG12 1 61 GLN HE21 . . 5.500 4.209 3.072 5.471 . 0 0 "[ . 1 . 2]" 1
300 1 58 ILE HG13 1 58 ILE MG . . 3.590 3.109 2.336 3.206 . 0 0 "[ . 1 . 2]" 1
301 1 58 ILE MG 1 59 GLN H . . 3.780 3.675 3.477 4.011 0.231 17 0 "[ . 1 . 2]" 1
302 1 58 ILE MG 1 59 GLN HG3 . . 5.460 4.680 3.862 6.083 0.623 13 3 "[ . 1 -+ . *2]" 1
303 1 58 ILE MG 1 60 SER H . . 5.150 4.832 4.661 5.042 . 0 0 "[ . 1 . 2]" 1
304 1 58 ILE MG 1 61 GLN H . . 5.040 4.294 3.929 4.638 . 0 0 "[ . 1 . 2]" 1
305 1 58 ILE MG 1 61 GLN QB . . 4.010 4.385 3.987 4.673 0.663 8 9 "[* * +*1 - *** *]" 1
306 1 58 ILE MG 1 61 GLN QG . . 4.050 2.684 2.346 3.054 . 0 0 "[ . 1 . 2]" 1
307 1 59 GLN H 1 59 GLN HB2 . . 3.240 2.488 2.357 2.660 . 0 0 "[ . 1 . 2]" 1
308 1 59 GLN H 1 59 GLN HB3 . . 3.600 3.589 3.561 3.605 0.005 7 0 "[ . 1 . 2]" 1
309 1 59 GLN H 1 59 GLN HG2 . . 3.390 3.231 1.870 3.732 0.342 4 0 "[ . 1 . 2]" 1
310 1 59 GLN H 1 59 GLN HG3 . . 3.440 2.430 2.035 3.508 0.068 12 0 "[ . 1 . 2]" 1
311 1 59 GLN H 1 62 ILE MD . . 4.110 4.253 3.783 5.340 1.230 4 2 "[ +. - 1 . 2]" 1
312 1 59 GLN HA 1 59 GLN HG2 . . 3.710 2.606 2.426 3.077 . 0 0 "[ . 1 . 2]" 1
313 1 59 GLN HA 1 59 GLN HG3 . . 3.550 3.142 2.797 3.835 0.285 19 0 "[ . 1 . 2]" 1
314 1 59 GLN HA 1 62 ILE HB . . 4.330 3.292 2.369 4.010 . 0 0 "[ . 1 . 2]" 1
315 1 59 GLN HA 1 62 ILE MD . . 3.430 2.256 1.884 3.910 0.480 4 0 "[ . 1 . 2]" 1
316 1 59 GLN HB2 1 59 GLN HE21 . . 4.780 4.019 2.902 4.486 . 0 0 "[ . 1 . 2]" 1
317 1 59 GLN HB2 1 60 SER H . . 3.700 2.893 2.550 3.161 . 0 0 "[ . 1 . 2]" 1
318 1 59 GLN HB3 1 60 SER H . . 4.050 3.841 3.674 4.045 . 0 0 "[ . 1 . 2]" 1
319 1 59 GLN HE22 1 59 GLN HG3 . . 4.070 3.499 3.466 3.788 . 0 0 "[ . 1 . 2]" 1
320 1 59 GLN HG2 1 62 ILE MD . . 4.640 3.493 2.615 5.462 0.822 4 1 "[ +. 1 . 2]" 1
321 1 60 SER H 1 60 SER QB . . 3.900 2.486 2.253 2.674 . 0 0 "[ . 1 . 2]" 1
322 1 60 SER H 1 61 GLN H . . 3.650 2.554 2.300 2.772 . 0 0 "[ . 1 . 2]" 1
323 1 60 SER H 1 61 GLN QG . . 4.990 3.960 3.658 4.323 . 0 0 "[ . 1 . 2]" 1
324 1 60 SER H 1 63 LEU QD . . 5.370 4.743 4.178 5.725 0.355 11 0 "[ . 1 . 2]" 1
325 1 60 SER QB 1 61 GLN H . . 3.870 2.732 2.371 3.360 . 0 0 "[ . 1 . 2]" 1
326 1 60 SER QB 1 61 GLN QB . . 4.220 3.867 3.563 4.504 0.284 12 0 "[ . 1 . 2]" 1
327 1 61 GLN H 1 61 GLN QB . . 3.000 2.594 2.450 2.720 . 0 0 "[ . 1 . 2]" 1
328 1 61 GLN H 1 61 GLN QG . . 3.170 2.126 1.972 2.373 . 0 0 "[ . 1 . 2]" 1
329 1 61 GLN H 1 62 ILE H . . 3.730 2.475 2.154 2.669 . 0 0 "[ . 1 . 2]" 1
330 1 61 GLN HA 1 61 GLN HE21 . . 5.220 4.659 4.190 5.195 . 0 0 "[ . 1 . 2]" 1
331 1 61 GLN HA 1 61 GLN QG . . 3.970 3.343 3.325 3.358 . 0 0 "[ . 1 . 2]" 1
332 1 61 GLN HA 1 64 GLY H . . 4.140 3.418 2.974 4.018 . 0 0 "[ . 1 . 2]" 1
333 1 61 GLN QB 1 61 GLN QG . . 2.400 2.083 2.080 2.087 . 0 0 "[ . 1 . 2]" 1
334 1 61 GLN QB 1 62 ILE H . . 3.770 3.779 3.643 3.960 0.190 11 0 "[ . 1 . 2]" 1
335 1 61 GLN HE22 1 61 GLN QG . . 3.810 3.391 3.294 3.489 . 0 0 "[ . 1 . 2]" 1
336 1 61 GLN QG 1 62 ILE H . . 5.230 2.867 2.550 3.331 . 0 0 "[ . 1 . 2]" 1
337 1 61 GLN QG 1 62 ILE HA . . 4.950 3.507 3.232 3.963 . 0 0 "[ . 1 . 2]" 1
338 1 61 GLN QG 1 62 ILE MD . . 5.390 4.115 2.601 4.711 . 0 0 "[ . 1 . 2]" 1
339 1 61 GLN QG 1 62 ILE HG13 . . 5.500 3.232 2.485 4.619 . 0 0 "[ . 1 . 2]" 1
340 1 61 GLN QG 1 62 ILE MG . . 5.500 4.833 4.572 5.098 . 0 0 "[ . 1 . 2]" 1
341 1 62 ILE H 1 62 ILE HB . . 3.270 2.495 2.421 2.555 . 0 0 "[ . 1 . 2]" 1
342 1 62 ILE H 1 62 ILE MD . . 3.990 3.623 3.252 3.894 . 0 0 "[ . 1 . 2]" 1
343 1 62 ILE H 1 62 ILE HG12 . . 3.930 3.389 2.230 3.910 . 0 0 "[ . 1 . 2]" 1
344 1 62 ILE H 1 62 ILE HG13 . . 3.640 2.424 2.094 3.728 0.088 4 0 "[ . 1 . 2]" 1
345 1 62 ILE H 1 62 ILE MG . . 3.890 3.773 3.757 3.791 . 0 0 "[ . 1 . 2]" 1
346 1 62 ILE H 1 63 LEU H . . 3.320 2.533 2.297 2.652 . 0 0 "[ . 1 . 2]" 1
347 1 62 ILE H 1 63 LEU QB . . 4.890 4.482 4.189 4.666 . 0 0 "[ . 1 . 2]" 1
348 1 62 ILE HA 1 62 ILE HG12 . . 3.460 2.561 2.469 3.104 . 0 0 "[ . 1 . 2]" 1
349 1 62 ILE HA 1 62 ILE HG13 . . 3.610 3.059 2.914 3.723 0.113 7 0 "[ . 1 . 2]" 1
350 1 62 ILE HA 1 62 ILE MG . . 3.180 2.446 2.400 2.491 . 0 0 "[ . 1 . 2]" 1
351 1 62 ILE HB 1 62 ILE MD . . 3.250 2.511 2.405 3.241 . 0 0 "[ . 1 . 2]" 1
352 1 62 ILE HB 1 63 LEU H . . 3.350 2.706 2.280 3.187 . 0 0 "[ . 1 . 2]" 1
353 1 62 ILE HG12 1 62 ILE MG . . 3.110 2.468 2.357 3.202 0.092 7 0 "[ . 1 . 2]" 1
354 1 62 ILE HG13 1 63 LEU H . . 4.530 4.361 4.114 5.153 0.623 7 2 "[ -. + 1 . 2]" 1
355 1 62 ILE MG 1 63 LEU H . . 3.620 3.447 3.007 3.888 0.268 2 0 "[ . 1 . 2]" 1
356 1 63 LEU H 1 63 LEU QB . . 3.070 2.391 2.242 2.593 . 0 0 "[ . 1 . 2]" 1
357 1 63 LEU H 1 63 LEU QD . . 3.580 2.419 1.484 3.039 . 0 0 "[ . 1 . 2]" 1
358 1 63 LEU H 1 63 LEU HG . . 3.340 3.060 2.093 3.972 0.632 2 4 "[ + *. 1 - . *]" 1
359 1 63 LEU H 1 66 LEU H . . 4.550 4.821 4.614 5.254 0.704 4 2 "[ +. 1 -. 2]" 1
360 1 63 LEU HA 1 63 LEU QD . . 3.320 2.372 1.943 3.326 0.006 2 0 "[ . 1 . 2]" 1
361 1 63 LEU HA 1 63 LEU HG . . 3.900 3.014 2.382 3.854 . 0 0 "[ . 1 . 2]" 1
362 1 63 LEU HA 1 66 LEU H . . 3.960 3.708 3.218 4.679 0.719 14 3 "[ . * 1- +. 2]" 1
363 1 63 LEU QB 1 64 GLY H . . 3.920 2.685 2.108 3.679 . 0 0 "[ . 1 . 2]" 1
364 1 63 LEU QD 1 64 GLY H . . 4.380 3.667 1.602 4.185 . 0 0 "[ . 1 . 2]" 1
365 1 64 GLY H 1 65 GLY H . . 3.650 2.501 1.969 2.819 . 0 0 "[ . 1 . 2]" 1
366 1 64 GLY HA3 1 67 LEU H . . 5.170 4.900 4.562 5.632 0.462 18 0 "[ . 1 . 2]" 1
367 1 65 GLY H 1 66 LEU HA . . 5.170 5.147 4.784 5.349 0.179 9 0 "[ . 1 . 2]" 1
368 1 66 LEU H 1 66 LEU HB2 . . 3.250 2.527 2.377 3.566 0.316 13 0 "[ . 1 . 2]" 1
369 1 66 LEU H 1 66 LEU HB3 . . 3.580 3.375 2.337 3.611 0.031 17 0 "[ . 1 . 2]" 1
370 1 66 LEU H 1 66 LEU QD . . 3.850 3.165 2.971 3.736 . 0 0 "[ . 1 . 2]" 1
371 1 66 LEU H 1 66 LEU HG . . 3.500 2.652 2.186 4.498 0.998 15 3 "[ . - 1 +* 2]" 1
372 1 66 LEU H 1 67 LEU H . . 3.420 2.703 2.456 2.944 . 0 0 "[ . 1 . 2]" 1
373 1 66 LEU H 1 68 SER H . . 4.620 4.214 3.879 4.707 0.087 2 0 "[ . 1 . 2]" 1
374 1 66 LEU HA 1 66 LEU QD . . 3.620 2.102 1.909 3.318 . 0 0 "[ . 1 . 2]" 1
375 1 66 LEU HA 1 66 LEU HG . . 3.460 3.094 2.492 3.748 0.288 13 0 "[ . 1 . 2]" 1
376 1 66 LEU HA 1 69 ASN H . . 4.430 3.423 2.870 4.512 0.082 2 0 "[ . 1 . 2]" 1
377 1 66 LEU HA 1 69 ASN QB . . 3.810 2.866 1.780 4.463 0.653 2 1 "[ + . 1 . 2]" 1
378 1 66 LEU HB2 1 66 LEU QD . . 3.130 2.250 2.116 2.299 . 0 0 "[ . 1 . 2]" 1
379 1 66 LEU HB2 1 67 LEU H . . 3.500 3.028 2.276 4.232 0.732 13 1 "[ . 1 + . 2]" 1
380 1 67 LEU H 1 67 LEU HB2 . . 3.420 2.552 2.377 3.602 0.182 19 0 "[ . 1 . 2]" 1
381 1 67 LEU H 1 67 LEU MD1 . . 3.780 3.474 1.909 3.913 0.133 2 0 "[ . 1 . 2]" 1
382 1 67 LEU H 1 67 LEU MD2 . . 3.780 3.342 3.034 4.070 0.290 7 0 "[ . 1 . 2]" 1
383 1 67 LEU H 1 67 LEU HG . . 3.150 2.413 1.993 3.599 0.449 7 0 "[ . 1 . 2]" 1
384 1 67 LEU H 1 68 SER H . . 3.480 2.638 2.431 2.985 . 0 0 "[ . 1 . 2]" 1
385 1 67 LEU H 1 68 SER HA . . 4.900 5.210 4.940 5.422 0.522 4 2 "[ +. 1 - . 2]" 1
386 1 67 LEU HA 1 67 LEU MD2 . . 3.530 2.289 1.945 4.057 0.527 19 1 "[ . 1 . +2]" 1
387 1 67 LEU HB2 1 67 LEU HG . . 2.580 2.543 2.439 3.018 0.438 12 0 "[ . 1 . 2]" 1
388 1 67 LEU HB2 1 68 SER H . . 4.120 2.983 2.118 4.172 0.052 19 0 "[ . 1 . 2]" 1
389 1 67 LEU HG 1 68 SER H . . 5.150 4.396 3.128 5.174 0.024 7 0 "[ . 1 . 2]" 1
390 1 68 SER H 1 68 SER QB . . 3.280 2.463 2.232 2.813 . 0 0 "[ . 1 . 2]" 1
391 1 68 SER HA 1 70 ILE H . . 4.950 3.942 3.592 4.705 . 0 0 "[ . 1 . 2]" 1
392 1 68 SER HA 1 71 ASN QB . . 5.260 3.576 2.291 4.921 . 0 0 "[ . 1 . 2]" 1
393 1 68 SER QB 1 69 ASN H . . 4.170 2.877 2.361 3.642 . 0 0 "[ . 1 . 2]" 1
394 1 69 ASN H 1 69 ASN HA . . 2.810 2.881 2.831 2.943 0.133 2 0 "[ . 1 . 2]" 1
395 1 69 ASN H 1 69 ASN QB . . 3.460 2.343 2.240 2.600 . 0 0 "[ . 1 . 2]" 1
396 1 69 ASN H 1 70 ILE H . . 3.630 2.462 2.186 2.739 . 0 0 "[ . 1 . 2]" 1
397 1 69 ASN H 1 70 ILE MD . . 5.430 4.666 3.142 5.004 . 0 0 "[ . 1 . 2]" 1
398 1 69 ASN HA 1 69 ASN QB . . 2.650 2.390 2.327 2.453 . 0 0 "[ . 1 . 2]" 1
399 1 69 ASN HA 1 70 ILE H . . 3.250 3.368 3.020 3.493 0.243 19 0 "[ . 1 . 2]" 1
400 1 69 ASN QB 1 70 ILE H . . 4.170 3.144 2.820 3.697 . 0 0 "[ . 1 . 2]" 1
401 1 69 ASN QB 1 70 ILE MD . . 4.070 3.615 2.147 4.315 0.245 9 0 "[ . 1 . 2]" 1
402 1 70 ILE H 1 70 ILE HB . . 3.160 2.497 2.383 2.590 . 0 0 "[ . 1 . 2]" 1
403 1 70 ILE H 1 70 ILE MD . . 4.170 3.291 2.218 3.513 . 0 0 "[ . 1 . 2]" 1
404 1 70 ILE H 1 70 ILE HG12 . . 3.570 2.433 2.173 4.102 0.532 17 1 "[ . 1 . + 2]" 1
405 1 70 ILE H 1 70 ILE HG13 . . 3.700 3.770 3.653 3.960 0.260 18 0 "[ . 1 . 2]" 1
406 1 70 ILE H 1 70 ILE MG . . 3.980 3.782 3.724 3.824 . 0 0 "[ . 1 . 2]" 1
407 1 70 ILE H 1 71 ASN H . . 3.910 2.397 2.093 2.662 . 0 0 "[ . 1 . 2]" 1
408 1 70 ILE H 1 71 ASN HA . . 4.850 5.011 4.643 5.266 0.416 16 0 "[ . 1 . 2]" 1
409 1 70 ILE HA 1 70 ILE MD . . 3.500 2.026 1.895 2.772 . 0 0 "[ . 1 . 2]" 1
410 1 70 ILE HA 1 70 ILE HG12 . . 3.630 3.099 2.995 3.614 . 0 0 "[ . 1 . 2]" 1
411 1 70 ILE HA 1 70 ILE MG . . 3.150 2.445 2.353 2.555 . 0 0 "[ . 1 . 2]" 1
412 1 70 ILE HA 1 71 ASN H . . 3.440 3.448 3.303 3.582 0.142 17 0 "[ . 1 . 2]" 1
413 1 70 ILE HB 1 71 ASN H . . 3.870 2.996 2.613 3.508 . 0 0 "[ . 1 . 2]" 1
414 1 70 ILE MD 1 71 ASN H . . 5.040 4.600 4.020 4.682 . 0 0 "[ . 1 . 2]" 1
415 1 70 ILE HG12 1 71 ASN H . . 4.280 4.389 4.152 5.049 0.769 17 1 "[ . 1 . + 2]" 1
416 1 70 ILE HG13 1 71 ASN H . . 5.330 5.222 4.998 5.509 0.179 7 0 "[ . 1 . 2]" 1
417 1 70 ILE MG 1 71 ASN H . . 4.210 3.668 2.982 4.109 . 0 0 "[ . 1 . 2]" 1
418 1 71 ASN H 1 71 ASN QB . . 2.980 2.350 2.210 2.604 . 0 0 "[ . 1 . 2]" 1
419 1 71 ASN H 1 72 THR H . . 5.220 2.720 2.261 3.341 . 0 0 "[ . 1 . 2]" 1
420 1 71 ASN QB 1 72 THR H . . 4.860 2.617 1.766 3.794 . 0 0 "[ . 1 . 2]" 1
421 1 71 ASN QB 1 72 THR MG . . 4.910 4.630 3.820 5.490 0.580 14 1 "[ . 1 +. 2]" 1
422 1 72 THR H 1 72 THR MG . . 4.110 3.242 2.591 4.047 . 0 0 "[ . 1 . 2]" 1
423 1 72 THR H 1 73 GLY H . . 4.950 3.775 2.288 4.656 . 0 0 "[ . 1 . 2]" 1
424 1 72 THR HA 1 72 THR MG . . 2.560 2.326 2.234 2.408 . 0 0 "[ . 1 . 2]" 1
425 1 72 THR HA 1 74 LYS H . . 4.690 4.068 3.134 4.930 0.240 19 0 "[ . 1 . 2]" 1
426 1 72 THR HA 1 74 LYS QG . . 5.410 4.645 2.906 6.164 0.754 13 3 "[ - . *1 + . 2]" 1
427 1 72 THR MG 1 73 GLY H . . 5.430 3.413 2.113 4.446 . 0 0 "[ . 1 . 2]" 1
428 1 72 THR MG 1 74 LYS H . . 5.430 4.421 2.178 5.993 0.563 9 2 "[ . -+1 . 2]" 1
429 1 73 GLY H 1 74 LYS H . . 4.330 2.890 1.810 4.091 . 0 0 "[ . 1 . 2]" 1
430 1 74 LYS H 1 74 LYS HA . . 2.680 2.778 2.758 2.795 0.115 15 0 "[ . 1 . 2]" 1
431 1 74 LYS H 1 74 LYS HB2 . . 3.680 3.584 3.536 3.614 . 0 0 "[ . 1 . 2]" 1
432 1 74 LYS H 1 74 LYS HB3 . . 3.460 2.588 2.442 2.900 . 0 0 "[ . 1 . 2]" 1
433 1 74 LYS H 1 74 LYS QD . . 4.880 3.561 1.701 4.162 . 0 0 "[ . 1 . 2]" 1
434 1 74 LYS H 1 74 LYS QG . . 3.870 2.153 1.735 3.202 . 0 0 "[ . 1 . 2]" 1
435 1 74 LYS H 1 75 PRO HD2 . . 5.470 5.122 4.708 5.383 . 0 0 "[ . 1 . 2]" 1
436 1 74 LYS HA 1 74 LYS QD . . 4.070 4.032 3.640 4.504 0.434 3 0 "[ . 1 . 2]" 1
437 1 74 LYS HA 1 74 LYS QG . . 3.400 3.398 3.305 3.485 0.085 10 0 "[ . 1 . 2]" 1
438 1 74 LYS HA 1 75 PRO HD2 . . 3.220 2.679 2.267 2.955 . 0 0 "[ . 1 . 2]" 1
439 1 74 LYS HA 1 75 PRO HD3 . . 3.250 2.029 1.758 2.563 . 0 0 "[ . 1 . 2]" 1
440 1 74 LYS HB2 1 75 PRO HD2 . . 3.870 2.499 1.787 2.965 . 0 0 "[ . 1 . 2]" 1
441 1 74 LYS HB2 1 75 PRO HD3 . . 4.060 3.384 2.943 3.857 . 0 0 "[ . 1 . 2]" 1
442 1 74 LYS HB3 1 75 PRO HD2 . . 4.030 3.742 3.123 4.262 0.232 18 0 "[ . 1 . 2]" 1
443 1 74 LYS HB3 1 75 PRO HD3 . . 4.350 4.043 3.684 4.530 0.180 14 0 "[ . 1 . 2]" 1
444 1 74 LYS QD 1 74 LYS QG . . 2.400 2.071 2.006 2.094 . 0 0 "[ . 1 . 2]" 1
445 1 74 LYS QD 1 75 PRO HD2 . . 4.930 4.265 3.011 5.464 0.534 10 2 "[ . + . - 2]" 1
446 1 74 LYS QG 1 75 PRO HD2 . . 4.310 4.283 3.864 4.929 0.619 11 1 "[ . 1+ . 2]" 1
447 1 74 LYS QG 1 75 PRO HD3 . . 4.890 4.754 4.438 5.269 0.379 17 0 "[ . 1 . 2]" 1
448 1 75 PRO HB2 1 76 GLY H . . 3.860 3.091 2.111 4.002 0.142 19 0 "[ . 1 . 2]" 1
449 1 75 PRO HB3 1 76 GLY H . . 4.270 3.817 2.601 4.446 0.176 20 0 "[ . 1 . 2]" 1
450 1 75 PRO HG2 1 76 GLY H . . 5.500 3.934 2.142 5.713 0.213 19 0 "[ . 1 . 2]" 1
451 1 75 PRO HG3 1 76 GLY H . . 5.500 4.541 3.742 5.091 . 0 0 "[ . 1 . 2]" 1
452 1 76 GLY H 1 77 ARG H . . 4.120 3.897 2.866 4.399 0.279 6 0 "[ . 1 . 2]" 1
453 1 76 GLY H 1 87 ILE MD . . 5.280 4.448 3.535 5.741 0.461 15 0 "[ . 1 . 2]" 1
454 1 76 GLY H 1 87 ILE MG . . 4.410 4.962 3.357 6.056 1.646 9 9 "[* * *-* +1 * * *2]" 1
455 1 76 GLY HA3 1 77 ARG H . . 3.480 2.752 2.072 3.569 0.089 19 0 "[ . 1 . 2]" 1
456 1 77 ARG H 1 77 ARG QG . . 5.140 2.284 1.793 4.191 . 0 0 "[ . 1 . 2]" 1
457 1 77 ARG H 1 78 MET H . . 4.660 4.430 4.015 4.592 . 0 0 "[ . 1 . 2]" 1
458 1 77 ARG HA 1 77 ARG QD . . 5.040 4.254 3.283 4.563 . 0 0 "[ . 1 . 2]" 1
459 1 77 ARG HA 1 78 MET H . . 3.410 2.339 2.108 2.642 . 0 0 "[ . 1 . 2]" 1
460 1 77 ARG HA 1 78 MET QB . . 4.940 4.061 3.938 4.177 . 0 0 "[ . 1 . 2]" 1
461 1 77 ARG HA 1 86 ASP HA . . 4.010 2.875 1.884 4.615 0.605 4 1 "[ +. 1 . 2]" 1
462 1 77 ARG HA 1 87 ILE H . . 4.380 2.822 1.783 4.117 . 0 0 "[ . 1 . 2]" 1
463 1 77 ARG QB 1 78 MET H . . 4.470 2.762 2.008 3.815 . 0 0 "[ . 1 . 2]" 1
464 1 77 ARG QB 1 79 VAL QG . . 4.760 4.231 3.160 5.742 0.982 15 2 "[ . - + 2]" 1
465 1 77 ARG QB 1 86 ASP HA . . 5.040 2.666 1.834 4.622 . 0 0 "[ . 1 . 2]" 1
466 1 77 ARG QD 1 79 VAL QG . . 3.630 3.598 2.269 5.222 1.592 12 5 "[ **. * + . - 2]" 1
467 1 77 ARG QG 1 78 MET H . . 4.210 3.692 2.815 4.622 0.412 13 0 "[ . 1 . 2]" 1
468 1 77 ARG QG 1 86 ASP HA . . 5.500 4.292 2.537 5.568 0.068 11 0 "[ . 1 . 2]" 1
469 1 78 MET H 1 78 MET QB . . 3.540 2.413 2.265 2.562 . 0 0 "[ . 1 . 2]" 1
470 1 78 MET H 1 78 MET QG . . 4.450 4.024 3.969 4.078 . 0 0 "[ . 1 . 2]" 1
471 1 78 MET H 1 79 VAL H . . 4.600 4.267 4.139 4.437 . 0 0 "[ . 1 . 2]" 1
472 1 78 MET HA 1 78 MET QG . . 3.790 2.464 2.408 2.544 . 0 0 "[ . 1 . 2]" 1
473 1 78 MET HA 1 79 VAL H . . 3.040 2.144 2.108 2.177 . 0 0 "[ . 1 . 2]" 1
474 1 78 MET QB 1 79 VAL H . . 3.920 3.861 3.675 3.952 0.032 9 0 "[ . 1 . 2]" 1
475 1 78 MET QB 1 80 THR MG . . 5.480 4.942 3.466 5.725 0.245 11 0 "[ . 1 . 2]" 1
476 1 78 MET QB 1 85 VAL H . . 4.610 4.064 2.700 5.612 1.002 6 1 "[ .+ 1 . 2]" 1
477 1 78 MET QB 1 85 VAL QG . . 3.960 2.444 1.510 3.248 . 0 0 "[ . 1 . 2]" 1
478 1 78 MET QG 1 79 VAL H . . 4.160 3.076 2.621 3.346 . 0 0 "[ . 1 . 2]" 1
479 1 78 MET QG 1 79 VAL QG . . 5.500 4.179 3.510 4.434 . 0 0 "[ . 1 . 2]" 1
480 1 78 MET QG 1 80 THR MG . . 3.890 3.674 1.945 4.739 0.849 12 3 "[ . 1*+ - 2]" 1
481 1 78 MET QG 1 85 VAL QG . . 3.830 3.462 2.793 4.252 0.422 13 0 "[ . 1 . 2]" 1
482 1 79 VAL H 1 79 VAL HB . . 3.230 2.610 2.519 2.884 . 0 0 "[ . 1 . 2]" 1
483 1 79 VAL H 1 79 VAL QG . . 3.330 2.129 1.843 2.468 . 0 0 "[ . 1 . 2]" 1
484 1 79 VAL H 1 80 THR H . . 5.020 4.221 3.805 4.526 . 0 0 "[ . 1 . 2]" 1
485 1 79 VAL H 1 80 THR HA . . 4.790 5.238 4.871 5.562 0.772 12 8 "[ ** . 1*+ -* * *2]" 1
486 1 79 VAL HA 1 79 VAL QG . . 2.850 2.164 2.117 2.359 . 0 0 "[ . 1 . 2]" 1
487 1 79 VAL HA 1 80 THR H . . 3.120 2.176 2.122 2.358 . 0 0 "[ . 1 . 2]" 1
488 1 79 VAL HB 1 80 THR H . . 4.610 4.365 4.124 4.486 . 0 0 "[ . 1 . 2]" 1
489 1 79 VAL QG 1 80 THR H . . 3.400 3.119 2.665 3.543 0.143 16 0 "[ . 1 . 2]" 1
490 1 80 THR H 1 80 THR MG . . 3.660 3.689 3.062 3.978 0.318 12 0 "[ . 1 . 2]" 1
491 1 80 THR H 1 83 TYR H . . 4.390 4.717 4.061 6.008 1.618 11 6 "[- *** 1+ .* 2]" 1
492 1 80 THR HA 1 80 THR MG . . 3.240 2.268 2.172 2.371 . 0 0 "[ . 1 . 2]" 1
493 1 80 THR HB 1 81 ASN H . . 2.950 3.231 1.988 3.978 1.028 14 8 "[* *- * * +* *2]" 1
494 1 80 THR HB 1 82 ASP H . . 3.120 3.631 2.765 4.490 1.370 1 9 "[+-**** 1 * * *2]" 1
495 1 80 THR HB 1 83 TYR H . . 3.570 2.817 2.131 3.546 . 0 0 "[ . 1 . 2]" 1
496 1 80 THR HB 1 83 TYR HB2 . . 4.410 3.156 2.196 4.795 0.385 18 0 "[ . 1 . 2]" 1
497 1 80 THR MG 1 81 ASN H . . 4.960 2.350 1.752 3.452 . 0 0 "[ . 1 . 2]" 1
498 1 80 THR MG 1 81 ASN QB . . 5.500 3.749 2.938 5.062 . 0 0 "[ . 1 . 2]" 1
499 1 80 THR MG 1 83 TYR QD . . 5.430 3.848 2.378 6.024 0.594 18 2 "[ . 1 - . + 2]" 1
500 1 81 ASN H 1 81 ASN QB . . 3.580 2.369 2.216 2.728 . 0 0 "[ . 1 . 2]" 1
501 1 81 ASN QB 1 82 ASP H . . 3.630 2.541 1.889 3.879 0.249 13 0 "[ . 1 . 2]" 1
502 1 81 ASN QB 1 82 ASP QB . . 5.240 3.821 3.321 4.475 . 0 0 "[ . 1 . 2]" 1
503 1 82 ASP H 1 82 ASP QB . . 3.770 2.505 2.286 3.407 . 0 0 "[ . 1 . 2]" 1
504 1 82 ASP H 1 83 TYR H . . 3.660 2.358 1.873 2.737 . 0 0 "[ . 1 . 2]" 1
505 1 82 ASP QB 1 83 TYR H . . 4.300 3.091 1.844 3.815 . 0 0 "[ . 1 . 2]" 1
506 1 82 ASP QB 1 83 TYR QD . . 3.400 2.733 2.031 3.580 0.180 16 0 "[ . 1 . 2]" 1
507 1 82 ASP QB 1 83 TYR QE . . 4.350 3.463 2.760 4.511 0.161 18 0 "[ . 1 . 2]" 1
508 1 83 TYR H 1 83 TYR QD . . 4.360 3.152 1.886 3.951 . 0 0 "[ . 1 . 2]" 1
509 1 83 TYR H 1 84 ILE H . . 5.220 4.287 4.010 4.593 . 0 0 "[ . 1 . 2]" 1
510 1 83 TYR H 1 84 ILE MD . . 5.160 4.296 3.511 5.896 0.736 16 1 "[ . 1 .+ 2]" 1
511 1 83 TYR H 1 101 ARG QB . . 5.020 4.274 3.359 5.117 0.097 20 0 "[ . 1 . 2]" 1
512 1 83 TYR HA 1 83 TYR QD . . 3.030 2.907 2.312 3.180 0.150 4 0 "[ . 1 . 2]" 1
513 1 83 TYR HA 1 84 ILE H . . 3.550 2.188 2.118 2.412 . 0 0 "[ . 1 . 2]" 1
514 1 83 TYR HA 1 84 ILE HA . . 4.460 4.399 4.373 4.475 0.015 3 0 "[ . 1 . 2]" 1
515 1 83 TYR HA 1 84 ILE MD . . 4.960 3.377 2.681 4.615 . 0 0 "[ . 1 . 2]" 1
516 1 83 TYR HA 1 84 ILE QG . . 4.450 4.320 3.543 4.936 0.486 1 0 "[ . 1 . 2]" 1
517 1 83 TYR HA 1 98 VAL QG . . 5.160 3.792 3.429 4.267 . 0 0 "[ . 1 . 2]" 1
518 1 83 TYR HA 1 99 THR H . . 5.060 4.941 4.340 5.648 0.588 8 1 "[ . + 1 . 2]" 1
519 1 83 TYR HA 1 101 ARG H . . 4.370 3.333 2.701 4.481 0.111 18 0 "[ . 1 . 2]" 1
520 1 83 TYR HA 1 101 ARG QB . . 4.390 3.413 3.070 4.117 . 0 0 "[ . 1 . 2]" 1
521 1 83 TYR HA 1 101 ARG QG . . 5.000 4.834 2.312 5.736 0.736 13 4 "[ . *1-*+ . 2]" 1
522 1 83 TYR QB 1 84 ILE H . . 4.430 3.114 2.312 3.506 . 0 0 "[ . 1 . 2]" 1
523 1 83 TYR HB2 1 84 ILE H . . 4.600 4.220 3.632 4.483 . 0 0 "[ . 1 . 2]" 1
524 1 83 TYR HB2 1 85 VAL QG . . 4.240 3.326 2.711 4.559 0.319 7 0 "[ . 1 . 2]" 1
525 1 83 TYR HB2 1 98 VAL QG . . 4.560 3.704 2.757 4.278 . 0 0 "[ . 1 . 2]" 1
526 1 83 TYR HB3 1 84 ILE H . . 4.380 3.215 2.338 3.662 . 0 0 "[ . 1 . 2]" 1
527 1 83 TYR HB3 1 84 ILE MD . . 5.060 4.827 4.384 5.415 0.355 10 0 "[ . 1 . 2]" 1
528 1 83 TYR HB3 1 85 VAL QG . . 4.010 3.003 2.434 4.100 0.090 4 0 "[ . 1 . 2]" 1
529 1 83 TYR HB3 1 98 VAL QG . . 3.880 2.410 1.679 2.912 . 0 0 "[ . 1 . 2]" 1
530 1 83 TYR QD 1 84 ILE H . . 3.330 3.953 3.196 4.441 1.111 11 14 "[* **** *1+** **- **]" 1
531 1 83 TYR QD 1 85 VAL QG . . 5.500 4.189 3.725 5.027 . 0 0 "[ . 1 . 2]" 1
532 1 83 TYR QD 1 98 VAL QG . . 2.760 2.027 1.755 2.840 0.080 16 0 "[ . 1 . 2]" 1
533 1 83 TYR QD 1 101 ARG H . . 4.650 4.160 2.661 5.177 0.527 9 1 "[ . +1 . 2]" 1
534 1 83 TYR QE 1 98 VAL QG . . 4.410 3.108 2.544 3.761 . 0 0 "[ . 1 . 2]" 1
535 1 84 ILE H 1 84 ILE HB . . 3.990 2.617 2.437 3.494 . 0 0 "[ . 1 . 2]" 1
536 1 84 ILE H 1 84 ILE MD . . 4.050 2.433 1.785 3.824 . 0 0 "[ . 1 . 2]" 1
537 1 84 ILE H 1 84 ILE QG . . 4.200 3.001 1.729 3.486 . 0 0 "[ . 1 . 2]" 1
538 1 84 ILE H 1 85 VAL H . . 4.680 4.156 3.834 4.341 . 0 0 "[ . 1 . 2]" 1
539 1 84 ILE H 1 98 VAL QG . . 4.740 3.715 2.906 4.618 . 0 0 "[ . 1 . 2]" 1
540 1 84 ILE H 1 99 THR H . . 4.150 3.388 2.744 4.182 0.032 16 0 "[ . 1 . 2]" 1
541 1 84 ILE H 1 99 THR HB . . 4.800 3.289 2.590 3.854 . 0 0 "[ . 1 . 2]" 1
542 1 84 ILE H 1 101 ARG H . . 4.880 4.562 3.917 5.767 0.887 18 1 "[ . 1 . + 2]" 1
543 1 84 ILE HA 1 84 ILE MD . . 3.530 2.855 1.895 3.683 0.153 16 0 "[ . 1 . 2]" 1
544 1 84 ILE HA 1 84 ILE QG . . 3.680 2.610 2.343 3.247 . 0 0 "[ . 1 . 2]" 1
545 1 84 ILE HA 1 84 ILE MG . . 3.200 2.392 2.132 2.499 . 0 0 "[ . 1 . 2]" 1
546 1 84 ILE HA 1 85 VAL H . . 3.370 2.174 2.120 2.244 . 0 0 "[ . 1 . 2]" 1
547 1 84 ILE HB 1 84 ILE MD . . 3.440 2.597 2.297 3.229 . 0 0 "[ . 1 . 2]" 1
548 1 84 ILE HB 1 85 VAL H . . 4.860 4.373 3.772 4.457 . 0 0 "[ . 1 . 2]" 1
549 1 84 ILE HB 1 99 THR H . . 4.460 3.205 2.191 5.325 0.865 16 1 "[ . 1 .+ 2]" 1
550 1 84 ILE HB 1 99 THR HB . . 3.460 1.953 1.686 4.382 0.922 16 1 "[ . 1 .+ 2]" 1
551 1 84 ILE MD 1 85 VAL H . . 4.850 4.526 3.715 4.982 0.132 14 0 "[ . 1 . 2]" 1
552 1 84 ILE MD 1 98 VAL HA . . 5.500 5.976 4.918 6.160 0.660 8 16 "[ ** .*-+******* ****]" 1
553 1 84 ILE MD 1 99 THR H . . 4.660 4.604 3.231 5.207 0.547 8 1 "[ . + 1 . 2]" 1
554 1 84 ILE MD 1 99 THR HB . . 3.820 3.325 1.821 4.408 0.588 8 1 "[ . + 1 . 2]" 1
555 1 84 ILE QG 1 84 ILE MG . . 3.340 2.145 2.074 2.312 . 0 0 "[ . 1 . 2]" 1
556 1 84 ILE QG 1 85 VAL H . . 5.450 4.532 4.245 4.857 . 0 0 "[ . 1 . 2]" 1
557 1 84 ILE MG 1 85 VAL H . . 3.460 3.251 3.061 3.568 0.108 16 0 "[ . 1 . 2]" 1
558 1 85 VAL H 1 85 VAL HB . . 3.370 2.784 2.494 3.313 . 0 0 "[ . 1 . 2]" 1
559 1 85 VAL H 1 85 VAL QG . . 3.420 2.232 1.792 2.578 . 0 0 "[ . 1 . 2]" 1
560 1 85 VAL HA 1 85 VAL QG . . 3.160 2.214 2.126 2.400 . 0 0 "[ . 1 . 2]" 1
561 1 85 VAL HA 1 86 ASP H . . 3.230 2.172 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
562 1 85 VAL HA 1 86 ASP QB . . 4.710 4.200 3.980 4.548 . 0 0 "[ . 1 . 2]" 1
563 1 85 VAL HB 1 86 ASP H . . 4.620 4.306 3.985 4.450 . 0 0 "[ . 1 . 2]" 1
564 1 85 VAL HB 1 86 ASP HA . . 5.260 5.156 4.681 5.958 0.698 4 5 "[ * +. 1 * -. * 2]" 1
565 1 85 VAL QG 1 86 ASP H . . 3.350 3.003 2.413 3.435 0.085 3 0 "[ . 1 . 2]" 1
566 1 85 VAL QG 1 86 ASP HA . . 4.610 3.682 3.109 4.077 . 0 0 "[ . 1 . 2]" 1
567 1 85 VAL QG 1 99 THR H . . 5.260 4.162 3.178 5.047 . 0 0 "[ . 1 . 2]" 1
568 1 86 ASP H 1 86 ASP QB . . 3.740 2.488 2.319 3.182 . 0 0 "[ . 1 . 2]" 1
569 1 86 ASP H 1 87 ILE H . . 4.890 4.320 4.058 4.486 . 0 0 "[ . 1 . 2]" 1
570 1 86 ASP H 1 96 LEU MD1 . . 4.720 4.086 2.769 5.050 0.330 4 0 "[ . 1 . 2]" 1
571 1 86 ASP H 1 97 ASN H . . 3.830 3.656 3.409 4.026 0.196 1 0 "[ . 1 . 2]" 1
572 1 86 ASP H 1 97 ASN QB . . 4.440 3.545 2.701 4.671 0.231 6 0 "[ . 1 . 2]" 1
573 1 86 ASP HA 1 87 ILE H . . 3.150 2.173 2.116 2.293 . 0 0 "[ . 1 . 2]" 1
574 1 86 ASP HA 1 87 ILE HA . . 5.390 4.371 4.306 4.429 . 0 0 "[ . 1 . 2]" 1
575 1 86 ASP HA 1 87 ILE HB . . 4.690 4.682 4.581 4.816 0.126 12 0 "[ . 1 . 2]" 1
576 1 86 ASP HA 1 87 ILE MD . . 5.230 4.928 2.719 5.349 0.119 3 0 "[ . 1 . 2]" 1
577 1 86 ASP HA 1 87 ILE QG . . 4.680 3.656 3.303 4.433 . 0 0 "[ . 1 . 2]" 1
578 1 86 ASP HA 1 96 LEU MD1 . . 5.060 4.695 3.872 5.559 0.499 4 0 "[ . 1 . 2]" 1
579 1 86 ASP QB 1 87 ILE H . . 4.150 3.682 2.585 3.987 . 0 0 "[ . 1 . 2]" 1
580 1 87 ILE H 1 87 ILE HB . . 3.540 2.558 2.476 2.683 . 0 0 "[ . 1 . 2]" 1
581 1 87 ILE H 1 87 ILE MD . . 4.450 3.623 1.985 3.838 . 0 0 "[ . 1 . 2]" 1
582 1 87 ILE H 1 87 ILE QG . . 3.700 2.353 2.167 3.293 . 0 0 "[ . 1 . 2]" 1
583 1 87 ILE H 1 87 ILE MG . . 4.000 3.801 3.768 3.838 . 0 0 "[ . 1 . 2]" 1
584 1 87 ILE HA 1 87 ILE QG . . 3.990 2.445 2.380 2.561 . 0 0 "[ . 1 . 2]" 1
585 1 87 ILE HA 1 87 ILE MG . . 3.370 2.372 2.281 2.422 . 0 0 "[ . 1 . 2]" 1
586 1 87 ILE HA 1 88 ALA H . . 3.050 2.187 2.134 2.286 . 0 0 "[ . 1 . 2]" 1
587 1 87 ILE HA 1 88 ALA MB . . 4.360 4.079 3.985 4.161 . 0 0 "[ . 1 . 2]" 1
588 1 87 ILE HA 1 96 LEU MD1 . . 3.560 2.784 2.333 3.737 0.177 7 0 "[ . 1 . 2]" 1
589 1 87 ILE HB 1 87 ILE MD . . 3.300 2.419 2.321 2.445 . 0 0 "[ . 1 . 2]" 1
590 1 87 ILE HB 1 88 ALA H . . 4.550 4.378 4.202 4.489 . 0 0 "[ . 1 . 2]" 1
591 1 87 ILE QG 1 88 ALA H . . 4.570 4.342 4.221 4.485 . 0 0 "[ . 1 . 2]" 1
592 1 87 ILE QG 1 96 LEU HA . . 5.360 3.737 2.133 4.296 . 0 0 "[ . 1 . 2]" 1
593 1 87 ILE MG 1 88 ALA H . . 3.650 3.224 2.744 3.618 . 0 0 "[ . 1 . 2]" 1
594 1 87 ILE MG 1 88 ALA MB . . 4.190 4.408 4.190 4.678 0.488 12 0 "[ . 1 . 2]" 1
595 1 87 ILE MG 1 89 ASN HB2 . . 5.210 3.610 2.758 4.616 . 0 0 "[ . 1 . 2]" 1
596 1 88 ALA H 1 88 ALA MB . . 3.180 2.351 2.265 2.566 . 0 0 "[ . 1 . 2]" 1
597 1 88 ALA H 1 89 ASN H . . 4.670 4.200 3.742 4.576 . 0 0 "[ . 1 . 2]" 1
598 1 88 ALA H 1 95 GLN H . . 3.890 3.653 3.060 4.253 0.363 1 0 "[ . 1 . 2]" 1
599 1 88 ALA H 1 95 GLN QB . . 4.870 3.680 3.020 4.228 . 0 0 "[ . 1 . 2]" 1
600 1 88 ALA H 1 96 LEU HA . . 4.570 3.368 2.866 4.380 . 0 0 "[ . 1 . 2]" 1
601 1 88 ALA H 1 96 LEU MD1 . . 4.790 4.241 3.713 5.518 0.728 7 1 "[ . + 1 . 2]" 1
602 1 88 ALA MB 1 89 ASN H . . 3.190 3.198 2.188 3.685 0.495 1 0 "[ . 1 . 2]" 1
603 1 88 ALA MB 1 89 ASN HB3 . . 5.240 5.272 4.716 5.602 0.362 1 0 "[ . 1 . 2]" 1
604 1 88 ALA MB 1 90 ARG H . . 5.320 4.227 3.541 4.975 . 0 0 "[ . 1 . 2]" 1
605 1 88 ALA MB 1 90 ARG QD . . 4.470 4.849 3.430 5.924 1.454 18 9 "[* * * * * * . *+ -]" 1
606 1 88 ALA MB 1 95 GLN H . . 4.040 3.583 2.729 4.066 0.026 11 0 "[ . 1 . 2]" 1
607 1 88 ALA MB 1 95 GLN QB . . 3.350 2.406 1.762 3.297 . 0 0 "[ . 1 . 2]" 1
608 1 88 ALA MB 1 95 GLN QE . . 5.500 4.441 3.282 5.408 . 0 0 "[ . 1 . 2]" 1
609 1 88 ALA MB 1 95 GLN QG . . 4.730 3.417 2.695 4.346 . 0 0 "[ . 1 . 2]" 1
610 1 88 ALA MB 1 96 LEU HA . . 4.860 4.654 4.131 5.837 0.977 7 1 "[ . + 1 . 2]" 1
611 1 88 ALA MB 1 97 ASN QD . . 4.330 3.311 2.073 4.914 0.584 14 1 "[ . 1 +. 2]" 1
612 1 89 ASN H 1 89 ASN HB2 . . 3.400 2.932 2.704 3.238 . 0 0 "[ . 1 . 2]" 1
613 1 89 ASN H 1 89 ASN HB3 . . 3.350 2.609 2.484 2.887 . 0 0 "[ . 1 . 2]" 1
614 1 89 ASN H 1 94 LEU QD . . 5.120 4.097 3.350 4.581 . 0 0 "[ . 1 . 2]" 1
615 1 89 ASN H 1 95 GLN H . . 5.430 4.621 4.199 5.018 . 0 0 "[ . 1 . 2]" 1
616 1 89 ASN HA 1 90 ARG H . . 3.010 2.188 2.111 2.282 . 0 0 "[ . 1 . 2]" 1
617 1 89 ASN HA 1 90 ARG HB2 . . 5.040 4.708 4.334 5.647 0.607 4 1 "[ +. 1 . 2]" 1
618 1 89 ASN HA 1 93 GLN H . . 4.330 4.442 3.706 5.573 1.243 20 5 "[ . * 1 * . -* +]" 1
619 1 89 ASN HA 1 94 LEU HA . . 4.260 2.611 2.014 3.063 . 0 0 "[ . 1 . 2]" 1
620 1 89 ASN HA 1 94 LEU QD . . 3.960 2.871 2.526 3.318 . 0 0 "[ . 1 . 2]" 1
621 1 89 ASN HA 1 95 GLN H . . 4.230 3.040 2.405 3.530 . 0 0 "[ . 1 . 2]" 1
622 1 89 ASN HB2 1 90 ARG H . . 4.400 4.445 4.230 4.572 0.172 16 0 "[ . 1 . 2]" 1
623 1 89 ASN HB2 1 94 LEU QD . . 3.920 2.173 1.776 2.886 . 0 0 "[ . 1 . 2]" 1
624 1 89 ASN HB3 1 90 ARG H . . 4.330 4.364 4.004 4.486 0.156 16 0 "[ . 1 . 2]" 1
625 1 89 ASN HB3 1 94 LEU QD . . 4.400 3.558 3.251 4.253 . 0 0 "[ . 1 . 2]" 1
626 1 89 ASN QD 1 92 GLY H . . 5.490 4.022 3.216 4.709 . 0 0 "[ . 1 . 2]" 1
627 1 89 ASN QD 1 92 GLY HA3 . . 5.270 4.461 4.045 5.064 . 0 0 "[ . 1 . 2]" 1
628 1 89 ASN QD 1 93 GLN HA . . 4.130 3.973 3.329 4.952 0.822 6 2 "[ .+- 1 . 2]" 1
629 1 89 ASN QD 1 94 LEU QB . . 5.230 4.165 2.642 4.987 . 0 0 "[ . 1 . 2]" 1
630 1 89 ASN QD 1 94 LEU QD . . 4.920 2.055 1.575 3.211 . 0 0 "[ . 1 . 2]" 1
631 1 90 ARG H 1 90 ARG HB2 . . 3.640 3.030 2.546 3.669 0.029 4 0 "[ . 1 . 2]" 1
632 1 90 ARG H 1 90 ARG HB3 . . 3.620 2.847 2.475 3.821 0.201 8 0 "[ . 1 . 2]" 1
633 1 90 ARG H 1 90 ARG QD . . 4.810 4.730 3.706 5.235 0.425 10 0 "[ . 1 . 2]" 1
634 1 90 ARG H 1 90 ARG QG . . 4.900 3.930 1.848 4.203 . 0 0 "[ . 1 . 2]" 1
635 1 90 ARG H 1 92 GLY H . . 5.000 4.103 3.433 5.280 0.280 20 0 "[ . 1 . 2]" 1
636 1 90 ARG H 1 93 GLN H . . 3.500 3.498 2.625 4.499 0.999 20 2 "[ . 1 - . +]" 1
637 1 90 ARG H 1 93 GLN HB2 . . 4.900 4.041 2.941 4.774 . 0 0 "[ . 1 . 2]" 1
638 1 90 ARG H 1 94 LEU HA . . 4.270 4.123 3.051 4.647 0.377 16 0 "[ . 1 . 2]" 1
639 1 90 ARG H 1 94 LEU QD . . 4.980 4.374 3.886 4.895 . 0 0 "[ . 1 . 2]" 1
640 1 90 ARG H 1 95 GLN H . . 4.640 4.050 3.306 4.963 0.323 7 0 "[ . 1 . 2]" 1
641 1 90 ARG HA 1 92 GLY H . . 5.160 4.019 3.233 5.078 . 0 0 "[ . 1 . 2]" 1
642 1 90 ARG HB2 1 90 ARG QD . . 3.430 2.460 2.264 2.971 . 0 0 "[ . 1 . 2]" 1
643 1 90 ARG HB2 1 90 ARG QG . . 2.410 2.335 2.208 2.439 0.029 16 0 "[ . 1 . 2]" 1
644 1 90 ARG HB3 1 91 ASP QB . . 5.030 3.908 3.355 5.024 . 0 0 "[ . 1 . 2]" 1
645 1 90 ARG QG 1 91 ASP QB . . 4.750 3.135 1.908 5.356 0.606 8 1 "[ . + 1 . 2]" 1
646 1 91 ASP H 1 92 GLY H . . 5.200 3.167 2.500 4.072 . 0 0 "[ . 1 . 2]" 1
647 1 91 ASP H 1 92 GLY HA2 . . 5.040 4.989 4.782 5.415 0.375 20 0 "[ . 1 . 2]" 1
648 1 91 ASP HA 1 93 GLN H . . 5.190 4.772 4.289 5.250 0.060 1 0 "[ . 1 . 2]" 1
649 1 91 ASP QB 1 92 GLY H . . 4.950 2.968 1.798 4.023 . 0 0 "[ . 1 . 2]" 1
650 1 91 ASP QB 1 93 GLN H . . 4.850 3.397 2.771 4.180 . 0 0 "[ . 1 . 2]" 1
651 1 92 GLY H 1 93 GLN H . . 3.340 2.250 1.753 3.692 0.352 20 0 "[ . 1 . 2]" 1
652 1 93 GLN H 1 93 GLN HB2 . . 3.350 2.592 2.375 2.824 . 0 0 "[ . 1 . 2]" 1
653 1 93 GLN H 1 93 GLN HG2 . . 3.840 2.822 2.200 3.317 . 0 0 "[ . 1 . 2]" 1
654 1 93 GLN H 1 93 GLN QG . . 3.870 2.746 2.178 3.227 . 0 0 "[ . 1 . 2]" 1
655 1 93 GLN H 1 93 GLN HG3 . . 3.800 3.827 3.268 4.417 0.617 2 1 "[ + . 1 . 2]" 1
656 1 93 GLN H 1 94 LEU H . . 4.380 4.428 4.168 4.584 0.204 20 0 "[ . 1 . 2]" 1
657 1 93 GLN HA 1 93 GLN HE21 . . 3.350 1.819 1.636 2.595 . 0 0 "[ . 1 . 2]" 1
658 1 93 GLN HA 1 93 GLN HE22 . . 3.620 3.410 3.213 4.213 0.593 3 1 "[ + . 1 . 2]" 1
659 1 93 GLN HA 1 93 GLN HG2 . . 3.530 2.831 2.488 3.102 . 0 0 "[ . 1 . 2]" 1
660 1 93 GLN HA 1 94 LEU H . . 2.920 2.206 2.117 2.381 . 0 0 "[ . 1 . 2]" 1
661 1 93 GLN HA 1 94 LEU QB . . 4.110 4.260 3.692 4.391 0.281 2 0 "[ . 1 . 2]" 1
662 1 93 GLN HA 1 94 LEU QD . . 5.420 3.293 2.893 5.021 . 0 0 "[ . 1 . 2]" 1
663 1 93 GLN HB2 1 94 LEU H . . 3.860 4.040 3.545 4.386 0.526 16 1 "[ . 1 .+ 2]" 1
664 1 93 GLN HB3 1 94 LEU H . . 3.620 3.069 2.460 3.442 . 0 0 "[ . 1 . 2]" 1
665 1 93 GLN QG 1 94 LEU H . . 4.990 4.488 4.181 4.653 . 0 0 "[ . 1 . 2]" 1
666 1 94 LEU H 1 94 LEU QB . . 2.950 2.295 2.162 2.586 . 0 0 "[ . 1 . 2]" 1
667 1 94 LEU H 1 94 LEU QD . . 4.310 2.399 2.022 3.917 . 0 0 "[ . 1 . 2]" 1
668 1 94 LEU H 1 95 GLN H . . 4.510 4.307 4.116 4.597 0.087 13 0 "[ . 1 . 2]" 1
669 1 94 LEU H 1 111 VAL QG . . 4.160 3.114 1.851 4.592 0.432 11 0 "[ . 1 . 2]" 1
670 1 94 LEU HA 1 94 LEU QD . . 3.340 1.920 1.829 2.758 . 0 0 "[ . 1 . 2]" 1
671 1 94 LEU HA 1 94 LEU HG . . 4.030 3.645 2.472 3.730 . 0 0 "[ . 1 . 2]" 1
672 1 94 LEU HA 1 95 GLN H . . 3.060 2.167 2.100 2.225 . 0 0 "[ . 1 . 2]" 1
673 1 94 LEU QB 1 95 GLN H . . 3.600 3.471 2.868 3.726 0.126 11 0 "[ . 1 . 2]" 1
674 1 94 LEU QB 1 111 VAL H . . 4.470 3.545 3.173 3.838 . 0 0 "[ . 1 . 2]" 1
675 1 94 LEU QB 1 111 VAL HB . . 3.080 2.270 1.750 3.815 0.735 10 1 "[ . + . 2]" 1
676 1 94 LEU QB 1 111 VAL QG . . 2.970 2.356 1.775 3.303 0.333 11 0 "[ . 1 . 2]" 1
677 1 94 LEU QD 1 95 GLN H . . 3.590 3.247 2.173 3.537 . 0 0 "[ . 1 . 2]" 1
678 1 94 LEU QD 1 95 GLN QB . . 4.720 4.698 3.833 4.936 0.216 6 0 "[ . 1 . 2]" 1
679 1 94 LEU QD 1 111 VAL H . . 5.420 4.833 3.472 5.167 . 0 0 "[ . 1 . 2]" 1
680 1 94 LEU QD 1 111 VAL HB . . 3.910 3.757 2.757 5.273 1.363 10 1 "[ . + . 2]" 1
681 1 95 GLN H 1 95 GLN QB . . 3.570 2.431 2.231 2.613 . 0 0 "[ . 1 . 2]" 1
682 1 95 GLN H 1 95 GLN QG . . 4.260 3.698 2.585 4.241 . 0 0 "[ . 1 . 2]" 1
683 1 95 GLN HA 1 95 GLN QG . . 3.730 2.472 2.323 2.869 . 0 0 "[ . 1 . 2]" 1
684 1 95 GLN HA 1 96 LEU H . . 3.260 2.138 2.107 2.193 . 0 0 "[ . 1 . 2]" 1
685 1 95 GLN HA 1 109 ILE H . . 5.400 5.002 4.604 5.569 0.169 4 0 "[ . 1 . 2]" 1
686 1 95 GLN HA 1 111 VAL H . . 4.500 3.223 2.682 3.970 . 0 0 "[ . 1 . 2]" 1
687 1 95 GLN QB 1 95 GLN QG . . 2.400 2.072 2.005 2.086 . 0 0 "[ . 1 . 2]" 1
688 1 95 GLN QB 1 96 LEU H . . 4.190 3.781 3.179 3.943 . 0 0 "[ . 1 . 2]" 1
689 1 95 GLN QB 1 97 ASN QD . . 4.860 3.940 2.736 5.769 0.909 8 1 "[ . + 1 . 2]" 1
690 1 95 GLN QB 1 108 THR MG . . 4.060 3.571 2.285 4.180 0.120 4 0 "[ . 1 . 2]" 1
691 1 95 GLN QB 1 110 GLN HA . . 4.030 3.702 3.257 4.606 0.576 4 1 "[ +. 1 . 2]" 1
692 1 95 GLN QE 1 108 THR MG . . 4.500 3.220 2.067 3.797 . 0 0 "[ . 1 . 2]" 1
693 1 95 GLN QE 1 110 GLN H . . 5.430 5.398 3.336 5.770 0.340 17 0 "[ . 1 . 2]" 1
694 1 95 GLN QE 1 110 GLN HA . . 5.050 4.181 2.167 4.683 . 0 0 "[ . 1 . 2]" 1
695 1 95 GLN QE 1 110 GLN QG . . 5.100 2.696 1.754 4.346 . 0 0 "[ . 1 . 2]" 1
696 1 95 GLN QG 1 96 LEU H . . 3.950 3.435 2.777 4.330 0.380 10 0 "[ . 1 . 2]" 1
697 1 95 GLN QG 1 97 ASN QD . . 5.290 3.452 1.857 5.789 0.499 7 0 "[ . 1 . 2]" 1
698 1 95 GLN QG 1 108 THR MG . . 3.970 2.562 1.988 4.559 0.589 18 1 "[ . 1 . + 2]" 1
699 1 95 GLN QG 1 109 ILE H . . 5.500 4.575 3.816 6.026 0.526 6 3 "[ .+ 1 . * -]" 1
700 1 96 LEU H 1 96 LEU HB2 . . 3.520 2.648 2.433 2.882 . 0 0 "[ . 1 . 2]" 1
701 1 96 LEU H 1 96 LEU HB3 . . 3.740 2.539 2.364 2.693 . 0 0 "[ . 1 . 2]" 1
702 1 96 LEU H 1 96 LEU MD1 . . 4.640 4.145 3.990 4.248 . 0 0 "[ . 1 . 2]" 1
703 1 96 LEU H 1 108 THR MG . . 5.030 4.187 3.512 4.846 . 0 0 "[ . 1 . 2]" 1
704 1 96 LEU H 1 109 ILE HB . . 5.190 3.670 2.961 4.203 . 0 0 "[ . 1 . 2]" 1
705 1 96 LEU H 1 109 ILE MG . . 4.330 4.137 3.814 4.484 0.154 4 0 "[ . 1 . 2]" 1
706 1 96 LEU H 1 110 GLN HA . . 4.230 3.100 2.598 3.773 . 0 0 "[ . 1 . 2]" 1
707 1 96 LEU H 1 111 VAL H . . 4.980 4.038 3.336 4.756 . 0 0 "[ . 1 . 2]" 1
708 1 96 LEU HA 1 96 LEU MD1 . . 3.360 2.053 1.955 2.141 . 0 0 "[ . 1 . 2]" 1
709 1 96 LEU HA 1 96 LEU HG . . 4.090 3.008 2.795 3.227 . 0 0 "[ . 1 . 2]" 1
710 1 96 LEU HA 1 97 ASN H . . 3.170 2.185 2.137 2.251 . 0 0 "[ . 1 . 2]" 1
711 1 96 LEU HB2 1 109 ILE H . . 4.630 4.744 4.492 5.125 0.495 6 0 "[ . 1 . 2]" 1
712 1 96 LEU HB2 1 109 ILE HB . . 3.660 3.726 3.218 4.368 0.708 20 2 "[ . 1- . +]" 1
713 1 96 LEU HB3 1 96 LEU MD1 . . 3.220 3.190 3.176 3.201 . 0 0 "[ . 1 . 2]" 1
714 1 96 LEU HB3 1 97 ASN H . . 4.320 4.359 4.237 4.471 0.151 15 0 "[ . 1 . 2]" 1
715 1 96 LEU HB3 1 109 ILE HB . . 3.730 2.201 1.774 2.848 . 0 0 "[ . 1 . 2]" 1
716 1 96 LEU HB3 1 109 ILE MG . . 3.530 3.512 3.009 4.080 0.550 20 2 "[ . 1- . +]" 1
717 1 96 LEU MD1 1 97 ASN H . . 3.860 3.137 2.598 3.779 . 0 0 "[ . 1 . 2]" 1
718 1 96 LEU HG 1 97 ASN H . . 4.230 3.676 3.263 4.025 . 0 0 "[ . 1 . 2]" 1
719 1 96 LEU HG 1 98 VAL H . . 4.490 4.094 3.127 4.799 0.309 6 0 "[ . 1 . 2]" 1
720 1 97 ASN H 1 97 ASN QD . . 5.220 3.540 2.284 4.653 . 0 0 "[ . 1 . 2]" 1
721 1 97 ASN HA 1 98 VAL H . . 3.200 2.170 2.103 2.276 . 0 0 "[ . 1 . 2]" 1
722 1 97 ASN HA 1 98 VAL HB . . 4.700 4.601 4.480 4.813 0.113 18 0 "[ . 1 . 2]" 1
723 1 97 ASN HA 1 98 VAL QG . . 4.260 3.895 3.564 4.169 . 0 0 "[ . 1 . 2]" 1
724 1 97 ASN HA 1 108 THR HA . . 3.950 2.280 1.980 2.779 . 0 0 "[ . 1 . 2]" 1
725 1 97 ASN HA 1 108 THR MG . . 4.480 3.162 2.647 3.605 . 0 0 "[ . 1 . 2]" 1
726 1 97 ASN HA 1 109 ILE H . . 4.230 3.344 2.750 3.599 . 0 0 "[ . 1 . 2]" 1
727 1 97 ASN QB 1 98 VAL H . . 4.370 3.628 3.162 4.003 . 0 0 "[ . 1 . 2]" 1
728 1 97 ASN QB 1 108 THR MG . . 3.430 3.538 1.785 4.162 0.732 15 7 "[- * * ** + * 2]" 1
729 1 97 ASN QD 1 108 THR MG . . 3.910 2.854 1.778 4.287 0.377 8 0 "[ . 1 . 2]" 1
730 1 98 VAL H 1 98 VAL HB . . 3.380 2.563 2.346 3.183 . 0 0 "[ . 1 . 2]" 1
731 1 98 VAL H 1 98 VAL QG . . 3.380 2.481 1.895 2.785 . 0 0 "[ . 1 . 2]" 1
732 1 98 VAL H 1 99 THR H . . 4.940 4.284 4.185 4.459 . 0 0 "[ . 1 . 2]" 1
733 1 98 VAL H 1 107 SER H . . 3.930 3.686 3.135 4.263 0.333 4 0 "[ . 1 . 2]" 1
734 1 98 VAL H 1 108 THR HA . . 4.140 3.239 2.590 3.753 . 0 0 "[ . 1 . 2]" 1
735 1 98 VAL H 1 108 THR MG . . 4.510 4.759 4.174 5.187 0.677 8 5 "[ .**+ - . * 2]" 1
736 1 98 VAL H 1 109 ILE MD . . 5.070 4.297 3.308 5.438 0.368 20 0 "[ . 1 . 2]" 1
737 1 98 VAL HA 1 99 THR H . . 3.550 2.121 2.101 2.172 . 0 0 "[ . 1 . 2]" 1
738 1 98 VAL HB 1 99 THR H . . 4.930 4.377 4.113 4.482 . 0 0 "[ . 1 . 2]" 1
739 1 98 VAL HB 1 107 SER H . . 3.980 3.767 2.783 5.346 1.366 7 4 "[ . + * . - *]" 1
740 1 98 VAL HB 1 107 SER QB . . 3.340 2.639 1.807 4.403 1.063 18 4 "[ . * * . + -]" 1
741 1 98 VAL QG 1 99 THR H . . 3.640 2.929 2.486 3.124 . 0 0 "[ . 1 . 2]" 1
742 1 98 VAL QG 1 99 THR HB . . 5.150 4.587 4.297 4.719 . 0 0 "[ . 1 . 2]" 1
743 1 98 VAL QG 1 100 ASP H . . 5.500 3.475 3.176 3.899 . 0 0 "[ . 1 . 2]" 1
744 1 98 VAL QG 1 107 SER H . . 4.850 3.248 2.386 4.044 . 0 0 "[ . 1 . 2]" 1
745 1 98 VAL QG 1 107 SER QB . . 4.580 2.676 1.837 3.828 . 0 0 "[ . 1 . 2]" 1
746 1 99 THR H 1 99 THR HB . . 4.110 2.566 2.469 2.758 . 0 0 "[ . 1 . 2]" 1
747 1 99 THR H 1 99 THR MG . . 4.340 3.810 3.768 3.887 . 0 0 "[ . 1 . 2]" 1
748 1 99 THR H 1 100 ASP H . . 4.900 4.266 4.151 4.417 . 0 0 "[ . 1 . 2]" 1
749 1 99 THR H 1 107 SER H . . 5.190 5.048 4.807 5.775 0.585 20 1 "[ . 1 . +]" 1
750 1 99 THR HA 1 99 THR MG . . 3.370 2.355 2.287 2.406 . 0 0 "[ . 1 . 2]" 1
751 1 99 THR HA 1 100 ASP H . . 3.470 2.151 2.117 2.184 . 0 0 "[ . 1 . 2]" 1
752 1 99 THR HA 1 100 ASP HB2 . . 4.920 4.628 4.412 4.829 . 0 0 "[ . 1 . 2]" 1
753 1 99 THR HA 1 106 THR H . . 5.100 4.886 4.130 5.687 0.587 4 1 "[ +. 1 . 2]" 1
754 1 99 THR HA 1 106 THR HA . . 3.830 2.535 2.014 3.185 . 0 0 "[ . 1 . 2]" 1
755 1 99 THR HA 1 107 SER H . . 4.230 3.629 3.159 4.483 0.253 20 0 "[ . 1 . 2]" 1
756 1 99 THR MG 1 100 ASP H . . 3.540 3.107 2.776 3.314 . 0 0 "[ . 1 . 2]" 1
757 1 99 THR MG 1 104 GLY H . . 4.750 5.232 4.467 5.840 1.090 19 9 "[ *. - 1****. * +*]" 1
758 1 99 THR MG 1 105 GLN H . . 4.600 4.916 3.795 5.880 1.280 12 10 "[ -*. **1*+* . * **]" 1
759 1 99 THR MG 1 106 THR HA . . 4.150 3.709 2.921 4.367 0.217 17 0 "[ . 1 . 2]" 1
760 1 99 THR MG 1 107 SER H . . 5.500 5.225 4.646 6.009 0.509 20 1 "[ . 1 . +]" 1
761 1 100 ASP H 1 100 ASP HB2 . . 3.610 2.580 2.351 2.726 . 0 0 "[ . 1 . 2]" 1
762 1 100 ASP H 1 100 ASP HB3 . . 3.820 2.488 2.351 2.752 . 0 0 "[ . 1 . 2]" 1
763 1 100 ASP H 1 104 GLY H . . 5.100 4.572 3.960 4.897 . 0 0 "[ . 1 . 2]" 1
764 1 100 ASP H 1 105 GLN H . . 4.220 3.539 2.589 4.303 0.083 20 0 "[ . 1 . 2]" 1
765 1 100 ASP H 1 106 THR HA . . 4.400 3.340 2.324 3.955 . 0 0 "[ . 1 . 2]" 1
766 1 100 ASP H 1 106 THR MG . . 5.240 4.695 2.749 5.869 0.629 15 1 "[ . 1 + 2]" 1
767 1 100 ASP HB2 1 104 GLY H . . 4.770 3.929 3.652 4.152 . 0 0 "[ . 1 . 2]" 1
768 1 100 ASP HB2 1 105 GLN H . . 4.930 3.211 2.630 3.778 . 0 0 "[ . 1 . 2]" 1
769 1 100 ASP HB3 1 103 THR MG . . 4.710 4.953 3.209 5.661 0.951 19 8 "[ *. - 1 ** * * +*]" 1
770 1 100 ASP HB3 1 104 GLY H . . 4.750 2.412 1.940 2.752 . 0 0 "[ . 1 . 2]" 1
771 1 100 ASP HB3 1 104 GLY HA2 . . 3.150 2.946 2.845 3.054 . 0 0 "[ . 1 . 2]" 1
772 1 100 ASP HB3 1 105 GLN H . . 4.470 1.912 1.693 2.472 . 0 0 "[ . 1 . 2]" 1
773 1 100 ASP HB3 1 105 GLN HB2 . . 4.280 3.094 2.458 3.731 . 0 0 "[ . 1 . 2]" 1
774 1 100 ASP HB3 1 105 GLN HB3 . . 4.360 4.561 3.954 5.126 0.766 11 2 "[ - . 1+ . 2]" 1
775 1 101 ARG H 1 101 ARG QD . . 4.790 4.345 3.298 4.896 0.106 20 0 "[ . 1 . 2]" 1
776 1 101 ARG H 1 101 ARG QG . . 4.260 3.684 1.802 4.152 . 0 0 "[ . 1 . 2]" 1
777 1 101 ARG H 1 102 LYS H . . 3.780 2.232 1.987 2.513 . 0 0 "[ . 1 . 2]" 1
778 1 101 ARG HA 1 101 ARG QD . . 4.260 3.249 1.785 4.271 0.011 6 0 "[ . 1 . 2]" 1
779 1 101 ARG QB 1 102 LYS QG . . 3.520 3.374 2.530 4.258 0.738 8 2 "[ . + - . 2]" 1
780 1 102 LYS H 1 102 LYS QB . . 3.360 2.507 2.221 2.687 . 0 0 "[ . 1 . 2]" 1
781 1 102 LYS H 1 102 LYS QD . . 4.380 3.856 2.917 4.427 0.047 16 0 "[ . 1 . 2]" 1
782 1 102 LYS H 1 102 LYS QG . . 3.880 2.330 1.945 2.886 . 0 0 "[ . 1 . 2]" 1
783 1 102 LYS H 1 103 THR H . . 3.210 2.540 1.985 2.888 . 0 0 "[ . 1 . 2]" 1
784 1 102 LYS H 1 103 THR HA . . 5.160 5.068 4.710 5.302 0.142 1 0 "[ . 1 . 2]" 1
785 1 102 LYS H 1 103 THR MG . . 4.330 4.757 4.254 5.793 1.463 2 3 "[ + . - 1 *. 2]" 1
786 1 102 LYS H 1 104 GLY H . . 4.010 3.297 2.781 3.633 . 0 0 "[ . 1 . 2]" 1
787 1 102 LYS HA 1 102 LYS QD . . 4.160 3.616 1.965 4.328 0.168 14 0 "[ . 1 . 2]" 1
788 1 102 LYS HA 1 102 LYS QG . . 3.550 2.627 2.406 3.176 . 0 0 "[ . 1 . 2]" 1
789 1 102 LYS QB 1 102 LYS QD . . 3.430 2.348 2.070 2.864 . 0 0 "[ . 1 . 2]" 1
790 1 102 LYS QB 1 103 THR H . . 3.760 2.158 1.852 2.596 . 0 0 "[ . 1 . 2]" 1
791 1 102 LYS QB 1 103 THR MG . . 3.390 3.017 2.529 4.423 1.033 14 3 "[ * . - 1 +. 2]" 1
792 1 102 LYS QB 1 104 GLY H . . 4.530 3.978 3.734 4.360 . 0 0 "[ . 1 . 2]" 1
793 1 102 LYS QD 1 103 THR H . . 5.280 4.491 3.622 5.151 . 0 0 "[ . 1 . 2]" 1
794 1 102 LYS QG 1 103 THR H . . 4.900 3.797 3.404 4.219 . 0 0 "[ . 1 . 2]" 1
795 1 103 THR H 1 103 THR MG . . 3.240 2.775 2.031 3.774 0.534 2 2 "[ + . 1 -. 2]" 1
796 1 103 THR H 1 104 GLY H . . 3.190 2.082 1.793 2.323 . 0 0 "[ . 1 . 2]" 1
797 1 103 THR H 1 104 GLY HA3 . . 5.110 4.760 4.518 4.977 . 0 0 "[ . 1 . 2]" 1
798 1 103 THR HA 1 103 THR MG . . 2.700 2.402 2.183 3.222 0.522 1 2 "[+ * 1 . 2]" 1
799 1 103 THR MG 1 104 GLY H . . 4.170 3.824 2.365 4.289 0.119 7 0 "[ . 1 . 2]" 1
800 1 103 THR MG 1 105 GLN H . . 4.900 4.490 3.257 5.889 0.989 15 1 "[ . 1 + 2]" 1
801 1 104 GLY H 1 105 GLN H . . 3.470 2.430 1.991 2.923 . 0 0 "[ . 1 . 2]" 1
802 1 104 GLY H 1 105 GLN HB2 . . 4.960 4.460 4.078 4.863 . 0 0 "[ . 1 . 2]" 1
803 1 105 GLN H 1 105 GLN HB2 . . 3.380 2.498 2.235 2.772 . 0 0 "[ . 1 . 2]" 1
804 1 105 GLN H 1 105 GLN HB3 . . 3.350 3.643 3.523 3.846 0.496 2 0 "[ . 1 . 2]" 1
805 1 105 GLN H 1 105 GLN QG . . 3.460 2.579 2.139 3.239 . 0 0 "[ . 1 . 2]" 1
806 1 105 GLN H 1 106 THR H . . 4.550 4.418 4.149 4.629 0.079 17 0 "[ . 1 . 2]" 1
807 1 105 GLN HA 1 106 THR H . . 3.110 2.192 2.105 2.359 . 0 0 "[ . 1 . 2]" 1
808 1 105 GLN HB2 1 106 THR H . . 4.390 4.210 3.682 4.502 0.112 12 0 "[ . 1 . 2]" 1
809 1 105 GLN HB3 1 106 THR H . . 4.530 3.290 2.548 3.887 . 0 0 "[ . 1 . 2]" 1
810 1 105 GLN QG 1 106 THR H . . 4.000 4.308 3.814 4.816 0.816 19 5 "[ .** 1*- . +2]" 1
811 1 106 THR H 1 106 THR HB . . 3.480 2.870 2.539 3.630 0.150 11 0 "[ . 1 . 2]" 1
812 1 106 THR H 1 106 THR MG . . 3.850 3.433 1.859 3.960 0.110 17 0 "[ . 1 . 2]" 1
813 1 106 THR H 1 107 SER H . . 5.020 4.095 3.556 4.381 . 0 0 "[ . 1 . 2]" 1
814 1 106 THR HA 1 106 THR MG . . 3.170 2.404 2.207 3.223 0.053 2 0 "[ . 1 . 2]" 1
815 1 106 THR HA 1 107 SER H . . 3.180 2.193 2.122 2.252 . 0 0 "[ . 1 . 2]" 1
816 1 106 THR HB 1 107 SER H . . 4.150 4.297 3.711 4.459 0.309 15 0 "[ . 1 . 2]" 1
817 1 106 THR MG 1 107 SER H . . 3.820 3.578 3.052 4.286 0.466 15 0 "[ . 1 . 2]" 1
818 1 107 SER H 1 107 SER QB . . 3.820 2.412 2.283 2.943 . 0 0 "[ . 1 . 2]" 1
819 1 107 SER H 1 108 THR H . . 4.450 4.192 3.882 4.501 0.051 12 0 "[ . 1 . 2]" 1
820 1 107 SER H 1 108 THR HA . . 4.510 5.025 4.864 5.274 0.764 20 10 "[ * .- ** * ** ** +]" 1
821 1 107 SER HA 1 108 THR H . . 3.130 2.192 2.122 2.312 . 0 0 "[ . 1 . 2]" 1
822 1 107 SER QB 1 108 THR H . . 4.170 3.820 3.352 4.046 . 0 0 "[ . 1 . 2]" 1
823 1 108 THR H 1 108 THR HB . . 3.400 2.607 2.474 2.819 . 0 0 "[ . 1 . 2]" 1
824 1 108 THR H 1 108 THR MG . . 4.180 3.805 3.749 3.855 . 0 0 "[ . 1 . 2]" 1
825 1 108 THR H 1 109 ILE H . . 4.850 4.222 4.047 4.458 . 0 0 "[ . 1 . 2]" 1
826 1 108 THR H 1 109 ILE MD . . 5.500 4.741 3.365 5.822 0.322 6 0 "[ . 1 . 2]" 1
827 1 108 THR HA 1 108 THR MG . . 3.310 2.329 2.196 2.412 . 0 0 "[ . 1 . 2]" 1
828 1 108 THR HA 1 109 ILE H . . 3.230 2.165 2.132 2.202 . 0 0 "[ . 1 . 2]" 1
829 1 108 THR HA 1 109 ILE HB . . 4.580 4.727 4.638 4.814 0.234 9 0 "[ . 1 . 2]" 1
830 1 108 THR HA 1 109 ILE MD . . 4.360 4.275 2.919 5.258 0.898 6 11 "[* ***+ * * .- ***]" 1
831 1 108 THR HA 1 109 ILE QG . . 4.920 4.144 3.656 4.826 . 0 0 "[ . 1 . 2]" 1
832 1 108 THR HB 1 109 ILE H . . 4.260 4.348 4.232 4.410 0.150 8 0 "[ . 1 . 2]" 1
833 1 108 THR MG 1 109 ILE H . . 3.060 3.194 2.741 3.422 0.362 9 0 "[ . 1 . 2]" 1
834 1 108 THR MG 1 110 GLN QB . . 5.270 4.374 2.667 5.402 0.132 4 0 "[ . 1 . 2]" 1
835 1 108 THR MG 1 110 GLN HE21 . . 5.290 3.790 2.853 5.550 0.260 13 0 "[ . 1 . 2]" 1
836 1 108 THR MG 1 110 GLN QG . . 3.820 2.960 1.983 3.994 0.174 10 0 "[ . 1 . 2]" 1
837 1 109 ILE H 1 109 ILE HB . . 3.280 2.602 2.501 2.660 . 0 0 "[ . 1 . 2]" 1
838 1 109 ILE H 1 109 ILE MD . . 4.100 3.111 1.997 3.890 . 0 0 "[ . 1 . 2]" 1
839 1 109 ILE H 1 109 ILE QG . . 4.250 2.826 2.210 3.545 . 0 0 "[ . 1 . 2]" 1
840 1 109 ILE H 1 109 ILE MG . . 4.130 3.832 3.790 3.864 . 0 0 "[ . 1 . 2]" 1
841 1 109 ILE H 1 110 GLN H . . 4.420 4.170 3.980 4.479 0.059 4 0 "[ . 1 . 2]" 1
842 1 109 ILE HA 1 109 ILE MD . . 4.570 3.522 2.130 3.879 . 0 0 "[ . 1 . 2]" 1
843 1 109 ILE HA 1 109 ILE QG . . 3.940 2.458 2.353 3.038 . 0 0 "[ . 1 . 2]" 1
844 1 109 ILE HA 1 109 ILE MG . . 3.480 2.376 2.333 2.438 . 0 0 "[ . 1 . 2]" 1
845 1 109 ILE HA 1 110 GLN H . . 3.090 2.186 2.127 2.253 . 0 0 "[ . 1 . 2]" 1
846 1 109 ILE HB 1 110 GLN H . . 4.300 4.371 4.081 4.454 0.154 7 0 "[ . 1 . 2]" 1
847 1 109 ILE QG 1 110 GLN H . . 4.640 4.376 4.154 4.873 0.233 9 0 "[ . 1 . 2]" 1
848 1 109 ILE MG 1 110 GLN H . . 3.740 3.171 2.569 3.476 . 0 0 "[ . 1 . 2]" 1
849 1 110 GLN H 1 110 GLN QB . . 3.220 2.401 2.212 2.901 . 0 0 "[ . 1 . 2]" 1
850 1 110 GLN H 1 110 GLN QG . . 3.420 2.495 2.064 3.047 . 0 0 "[ . 1 . 2]" 1
851 1 110 GLN HA 1 110 GLN QG . . 3.650 2.475 2.263 3.352 . 0 0 "[ . 1 . 2]" 1
852 1 110 GLN HA 1 111 VAL H . . 3.440 2.225 2.128 2.435 . 0 0 "[ . 1 . 2]" 1
853 1 110 GLN QB 1 110 GLN HE22 . . 4.560 3.786 3.559 4.061 . 0 0 "[ . 1 . 2]" 1
854 1 110 GLN QB 1 110 GLN QG . . 2.400 2.082 2.075 2.088 . 0 0 "[ . 1 . 2]" 1
855 1 110 GLN QB 1 111 VAL H . . 3.950 3.020 2.296 3.597 . 0 0 "[ . 1 . 2]" 1
856 1 110 GLN QB 1 111 VAL HA . . 5.050 4.509 4.344 4.826 . 0 0 "[ . 1 . 2]" 1
857 1 110 GLN QB 1 111 VAL QG . . 4.630 3.935 2.881 4.584 . 0 0 "[ . 1 . 2]" 1
858 1 110 GLN HE22 1 110 GLN QG . . 3.750 3.265 3.214 3.304 . 0 0 "[ . 1 . 2]" 1
859 1 110 GLN QG 1 111 VAL H . . 3.560 3.927 3.366 4.394 0.834 10 10 "[* * +* **. -***]" 1
860 1 110 GLN QG 1 111 VAL QG . . 4.500 4.665 3.917 5.248 0.748 1 11 "[+ * * -* **. ****]" 1
861 1 111 VAL H 1 111 VAL HB . . 3.300 2.577 2.489 2.698 . 0 0 "[ . 1 . 2]" 1
862 1 111 VAL H 1 111 VAL QG . . 3.370 2.050 1.832 2.263 . 0 0 "[ . 1 . 2]" 1
863 1 111 VAL HB 1 112 SER H . . 4.500 4.264 3.534 4.454 . 0 0 "[ . 1 . 2]" 1
864 1 111 VAL QG 1 112 SER H . . 4.210 2.887 1.858 3.454 . 0 0 "[ . 1 . 2]" 1
865 1 111 VAL QG 1 112 SER QB . . 4.930 4.120 2.651 4.769 . 0 0 "[ . 1 . 2]" 1
866 1 111 VAL QG 1 113 GLY H . . 5.420 3.811 2.356 5.270 . 0 0 "[ . 1 . 2]" 1
867 1 113 GLY H 1 114 LEU H . . 3.940 3.155 2.024 4.549 0.609 4 1 "[ +. 1 . 2]" 1
868 1 113 GLY H 1 114 LEU MD2 . . 5.500 4.683 3.232 5.839 0.339 13 0 "[ . 1 . 2]" 1
869 1 113 GLY H 1 114 LEU HG . . 5.500 4.243 2.579 6.003 0.503 13 1 "[ . 1 + . 2]" 1
870 1 113 GLY QA 1 114 LEU H . . 3.420 2.454 2.100 2.913 . 0 0 "[ . 1 . 2]" 1
871 1 113 GLY QA 1 115 GLN H . . 5.340 4.357 3.308 5.041 . 0 0 "[ . 1 . 2]" 1
872 1 114 LEU H 1 114 LEU QB . . 2.970 2.593 2.349 3.393 0.423 7 0 "[ . 1 . 2]" 1
873 1 114 LEU H 1 114 LEU MD1 . . 4.200 4.005 3.723 4.490 0.290 7 0 "[ . 1 . 2]" 1
874 1 114 LEU H 1 114 LEU HG . . 3.580 2.871 2.400 3.499 . 0 0 "[ . 1 . 2]" 1
875 1 114 LEU H 1 115 GLN H . . 3.710 3.288 2.130 4.225 0.515 16 1 "[ . 1 .+ 2]" 1
876 1 114 LEU H 1 115 GLN HB2 . . 5.190 5.323 3.827 6.127 0.937 7 6 "[ . +* 1* *- *2]" 1
877 1 114 LEU HA 1 114 LEU MD2 . . 2.840 2.014 1.908 2.112 . 0 0 "[ . 1 . 2]" 1
878 1 114 LEU HA 1 114 LEU HG . . 3.540 3.106 2.969 3.201 . 0 0 "[ . 1 . 2]" 1
879 1 114 LEU HA 1 115 GLN H . . 3.480 2.826 2.128 3.562 0.082 20 0 "[ . 1 . 2]" 1
880 1 114 LEU QB 1 115 GLN H . . 3.960 3.033 1.770 3.885 . 0 0 "[ . 1 . 2]" 1
881 1 114 LEU QB 1 116 ASN H . . 5.300 4.092 2.357 5.810 0.510 13 1 "[ . 1 + . 2]" 1
882 1 115 GLN H 1 115 GLN HB2 . . 3.980 3.174 2.456 3.933 . 0 0 "[ . 1 . 2]" 1
883 1 115 GLN H 1 115 GLN HB3 . . 3.640 3.578 2.571 4.095 0.455 1 0 "[ . 1 . 2]" 1
884 1 115 GLN H 1 115 GLN QG . . 4.310 2.946 1.778 4.139 . 0 0 "[ . 1 . 2]" 1
885 1 119 THR HA 1 120 ASP QB . . 4.930 4.261 4.021 4.940 0.010 7 0 "[ . 1 . 2]" 1
886 1 119 THR MG 1 120 ASP H . . 5.500 3.258 1.771 4.282 . 0 0 "[ . 1 . 2]" 1
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