NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380192 |
1iba   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iba
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 723
_Distance_constraint_stats_list.Viol_count 1877
_Distance_constraint_stats_list.Viol_total 6092.589
_Distance_constraint_stats_list.Viol_max 2.447
_Distance_constraint_stats_list.Viol_rms 0.2067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0696
_Distance_constraint_stats_list.Viol_average_violations_only 0.2951
_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 15 MET 4.159 0.719 5 3 "[ - + 1*]"
1 16 ALA 3.398 0.719 5 3 "[ - + 1*]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 18 ALA 13.525 1.291 7 6 "[* -.*+ ** ]"
1 19 LEU 21.260 1.042 4 10 [***+***-*1*]
1 20 VAL 18.519 0.665 1 5 "[+* *.* * ]"
1 21 ALA 15.081 0.967 1 9 "[+*-*** **1*]"
1 22 ALA 24.931 1.581 11 10 [****-****1+]
1 23 PHE 47.546 2.105 10 11 [-********+*]
1 24 GLY 23.490 1.394 8 10 [**-****+*1*]
1 25 GLY 0.147 0.098 7 0 "[ . 1 ]"
1 26 LYS 19.061 2.105 10 11 [*********+-]
1 27 GLU 5.498 0.624 8 3 "[ *. + 1-]"
1 28 ASN 4.879 0.445 10 0 "[ . 1 ]"
1 29 ILE 10.783 1.124 9 2 "[- . +1 ]"
1 30 THR 11.948 0.797 10 4 "[ **. *+ ]"
1 31 ASN 19.837 1.167 6 8 "[* **.+***1-]"
1 32 LEU 5.718 0.780 8 4 "[ -. *+ 1*]"
1 33 ASP 30.366 1.408 11 11 [******-***+]
1 34 ALA 1.264 0.185 2 0 "[ . 1 ]"
1 35 CYS 3.148 0.502 2 1 "[ + . 1 ]"
1 36 ILE 5.317 0.618 5 3 "[ - + * 1 ]"
1 37 THR 10.516 1.614 9 9 "[****.* *+-*]"
1 38 ARG 4.850 0.618 5 2 "[ + - 1 ]"
1 39 LEU 25.553 1.614 9 11 [********+**]
1 40 ARG 41.988 2.447 10 11 [******-**+*]
1 41 VAL 50.833 1.576 8 11 [***-***+***]
1 42 SER 14.189 1.167 6 8 "[* **.+***1-]"
1 43 VAL 14.496 1.124 9 7 "[***** +- ]"
1 44 ALA 3.476 0.737 2 2 "[ + - 1 ]"
1 45 ASP 4.061 0.877 9 3 "[ * - +1 ]"
1 46 VAL 4.255 0.877 9 3 "[ * - +1 ]"
1 47 SER 1.980 0.528 8 1 "[ . + 1 ]"
1 48 LYS 4.563 0.528 8 1 "[ . + 1 ]"
1 49 VAL 5.564 0.742 8 3 "[ -* + 1 ]"
1 50 ASP 10.236 1.581 11 6 "[* *-** 1+]"
1 51 GLN 22.917 1.411 11 10 [*****-***1+]
1 52 ALA 12.587 0.796 10 8 "[ ** *** -+*]"
1 53 GLY 2.336 0.354 5 0 "[ . 1 ]"
1 54 LEU 13.461 0.629 11 2 "[ - . 1+]"
1 55 LYS 22.694 1.483 5 11 [****+*****-]
1 56 LYS 15.748 0.845 5 9 "[*** +** -**]"
1 57 LEU 7.375 0.322 2 0 "[ . 1 ]"
1 58 GLY 12.932 0.848 2 10 [*+*******1-]
1 59 ALA 28.145 1.483 5 11 [**-*+******]
1 60 ALA 23.350 1.770 6 11 [**-**+*****]
1 61 GLY 47.656 1.351 1 11 [+*-********]
1 62 VAL 1.140 0.697 10 1 "[ . + ]"
1 63 VAL 8.896 0.455 9 0 "[ . 1 ]"
1 64 VAL 5.154 0.379 2 0 "[ . 1 ]"
1 65 ALA 3.193 0.226 10 0 "[ . 1 ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 67 SER 13.730 1.338 8 11 [*-*****+***]
1 68 GLY 1.920 0.140 2 0 "[ . 1 ]"
1 69 VAL 51.744 1.576 8 11 [***-***+***]
1 70 GLN 6.332 0.697 10 1 "[ . + ]"
1 71 ALA 34.078 2.447 10 11 [********-+*]
1 72 ILE 27.108 1.284 11 11 [*******-**+]
1 73 PHE 32.874 1.770 6 11 [**-**+*****]
1 74 GLY 2.967 0.689 8 2 "[ * . + 1 ]"
1 76 LYS 2.903 0.442 10 0 "[ . 1 ]"
1 77 SER 4.465 0.348 6 0 "[ . 1 ]"
1 78 ASP 7.245 0.454 3 0 "[ . 1 ]"
1 79 ASN 8.003 0.442 10 0 "[ . 1 ]"
1 80 LEU 10.237 0.697 9 2 "[ . - +1 ]"
1 81 LYS 9.197 0.454 3 0 "[ . 1 ]"
1 82 THR 7.583 0.370 8 0 "[ . 1 ]"
1 83 GLU 7.891 0.336 11 0 "[ . 1 ]"
1 84 MET 8.008 0.370 10 0 "[ . 1 ]"
1 85 ASP 12.718 0.532 3 1 "[ + . 1 ]"
1 86 GLU 12.452 0.317 9 0 "[ . 1 ]"
1 87 TYR 13.404 1.291 7 5 "[* -. + ** ]"
1 88 ILE 18.361 0.532 3 1 "[ + . 1 ]"
1 89 ARG 2.404 0.263 9 0 "[ . 1 ]"
1 90 ASN 4.318 0.143 6 0 "[ . 1 ]"
1 91 PHE 4.245 0.323 4 0 "[ . 1 ]"
1 92 GLY 6.350 0.529 3 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 15 MET H 1 15 MET HA . . 2.800 2.669 2.349 2.971 0.171 3 0 "[ . 1 ]" 1
2 1 15 MET H 1 15 MET QB . . 3.500 2.863 2.524 3.402 . 0 0 "[ . 1 ]" 1
3 1 15 MET H 1 15 MET QG . . 3.700 2.867 2.355 3.562 . 0 0 "[ . 1 ]" 1
4 1 15 MET H 1 16 ALA H . . 2.800 2.710 2.301 3.519 0.719 5 3 "[ - + 1*]" 1
5 1 15 MET HA 1 16 ALA H . . 3.500 3.618 3.371 3.737 0.237 3 0 "[ . 1 ]" 1
6 1 15 MET HA 1 18 ALA H . . 3.500 3.012 2.554 3.340 . 0 0 "[ . 1 ]" 1
7 1 15 MET HA 1 18 ALA MB . . 3.500 2.498 2.248 3.082 . 0 0 "[ . 1 ]" 1
8 1 15 MET QB 1 16 ALA H . . 4.500 3.184 2.543 3.680 . 0 0 "[ . 1 ]" 1
9 1 16 ALA H 1 16 ALA HA . . 2.800 2.777 2.727 2.826 0.026 5 0 "[ . 1 ]" 1
10 1 16 ALA H 1 16 ALA MB . . 3.500 2.318 2.268 2.357 . 0 0 "[ . 1 ]" 1
11 1 16 ALA H 1 17 PRO QD . . 4.500 2.417 2.354 2.562 . 0 0 "[ . 1 ]" 1
12 1 16 ALA MB 1 17 PRO QB . . 5.500 4.252 3.974 4.520 . 0 0 "[ . 1 ]" 1
13 1 16 ALA MB 1 57 LEU QD . . 6.700 2.330 1.910 3.069 . 0 0 "[ . 1 ]" 1
14 1 16 ALA MB 1 87 TYR H . . 6.000 4.601 2.987 5.398 . 0 0 "[ . 1 ]" 1
15 1 16 ALA MB 1 87 TYR HA . . 6.000 4.630 3.495 5.980 . 0 0 "[ . 1 ]" 1
16 1 16 ALA MB 1 87 TYR QB . . 6.700 3.836 2.332 5.618 . 0 0 "[ . 1 ]" 1
17 1 17 PRO QD 1 18 ALA H . . 4.500 2.563 2.227 2.814 . 0 0 "[ . 1 ]" 1
18 1 17 PRO QD 1 19 LEU H . . 4.500 4.038 3.359 4.351 . 0 0 "[ . 1 ]" 1
19 1 17 PRO QD 1 19 LEU QB . . 6.000 4.850 4.332 5.286 . 0 0 "[ . 1 ]" 1
20 1 17 PRO QD 1 20 VAL QG . . 7.500 4.822 4.502 5.343 . 0 0 "[ . 1 ]" 1
21 1 18 ALA H 1 18 ALA HA . . 2.800 2.861 2.786 3.000 0.200 1 0 "[ . 1 ]" 1
22 1 18 ALA H 1 19 LEU H . . 2.800 2.650 2.444 2.789 . 0 0 "[ . 1 ]" 1
23 1 18 ALA H 1 20 VAL H . . 4.500 4.904 4.472 5.165 0.665 1 4 "[+ -.* * ]" 1
24 1 18 ALA H 1 20 VAL QG . . 6.700 4.654 4.481 4.853 . 0 0 "[ . 1 ]" 1
25 1 18 ALA H 1 21 ALA MB . . 6.000 4.670 4.552 4.841 . 0 0 "[ . 1 ]" 1
26 1 18 ALA H 1 87 TYR HA . . 6.000 6.503 5.961 7.291 1.291 7 5 "[* -. + ** ]" 1
27 1 18 ALA H 1 87 TYR QB . . 6.700 5.205 4.779 5.587 . 0 0 "[ . 1 ]" 1
28 1 18 ALA HA 1 19 LEU H . . 3.500 3.621 3.519 3.659 0.159 9 0 "[ . 1 ]" 1
29 1 18 ALA HA 1 21 ALA H . . 3.500 3.482 3.182 3.725 0.225 5 0 "[ . 1 ]" 1
30 1 18 ALA HA 1 21 ALA MB . . 4.500 2.502 2.396 2.646 . 0 0 "[ . 1 ]" 1
31 1 18 ALA HA 1 22 ALA H . . 4.500 4.215 4.092 4.324 . 0 0 "[ . 1 ]" 1
32 1 18 ALA MB 1 19 LEU H . . 3.500 2.794 2.592 3.353 . 0 0 "[ . 1 ]" 1
33 1 18 ALA MB 1 21 ALA H . . 4.500 4.563 4.407 4.677 0.177 5 0 "[ . 1 ]" 1
34 1 18 ALA O 1 22 ALA H . . 2.300 2.030 1.947 2.133 . 0 0 "[ . 1 ]" 1
35 1 18 ALA O 1 22 ALA N . 2.700 3.300 2.916 2.805 3.041 . 0 0 "[ . 1 ]" 1
36 1 19 LEU H 1 19 LEU QB . . 3.700 2.261 2.175 2.355 . 0 0 "[ . 1 ]" 1
37 1 19 LEU H 1 20 VAL H . . 2.800 2.992 2.786 3.222 0.422 11 0 "[ . 1 ]" 1
38 1 19 LEU HA 1 20 VAL H . . 3.500 3.759 3.734 3.796 0.296 11 0 "[ . 1 ]" 1
39 1 19 LEU HA 1 22 ALA H . . 3.500 3.123 2.955 3.243 . 0 0 "[ . 1 ]" 1
40 1 19 LEU HA 1 22 ALA MB . . 4.500 2.704 2.522 2.871 . 0 0 "[ . 1 ]" 1
41 1 19 LEU QB 1 20 VAL H . . 4.500 2.392 2.289 2.568 . 0 0 "[ . 1 ]" 1
42 1 19 LEU QD 1 20 VAL H . . 6.700 3.418 2.500 3.755 . 0 0 "[ . 1 ]" 1
43 1 19 LEU QD 1 22 ALA H . . 6.700 3.714 3.528 3.811 . 0 0 "[ . 1 ]" 1
44 1 19 LEU QD 1 22 ALA MB . . 6.700 2.346 2.110 2.542 . 0 0 "[ . 1 ]" 1
45 1 19 LEU QD 1 23 PHE H . . 6.700 4.214 3.588 4.574 . 0 0 "[ . 1 ]" 1
46 1 19 LEU QD 1 51 GLN QG . . 6.700 5.146 4.897 5.445 . 0 0 "[ . 1 ]" 1
47 1 19 LEU QD 1 54 LEU QD . . 6.700 2.052 1.947 2.256 . 0 0 "[ . 1 ]" 1
48 1 19 LEU HG 1 20 VAL H . . 5.000 4.670 4.497 4.827 . 0 0 "[ . 1 ]" 1
49 1 19 LEU HG 1 54 LEU QD . . 6.700 4.320 4.192 4.601 . 0 0 "[ . 1 ]" 1
50 1 19 LEU O 1 23 PHE H . . 2.300 3.106 2.714 3.342 1.042 4 10 [***+**-**1*] 1
51 1 19 LEU O 1 23 PHE N . 2.700 3.300 3.854 3.608 3.978 0.678 4 8 "[** +** -*1*]" 1
52 1 20 VAL H 1 20 VAL HA . . 2.800 2.713 2.673 2.758 . 0 0 "[ . 1 ]" 1
53 1 20 VAL H 1 20 VAL HB . . 2.800 2.522 2.395 2.736 . 0 0 "[ . 1 ]" 1
54 1 20 VAL H 1 21 ALA H . . 2.800 3.027 2.868 3.161 0.361 10 0 "[ . 1 ]" 1
55 1 20 VAL HA 1 21 ALA H . . 3.500 3.634 3.590 3.656 0.156 10 0 "[ . 1 ]" 1
56 1 20 VAL HA 1 23 PHE H . . 3.500 3.925 3.756 4.076 0.576 2 3 "[-+ *. 1 ]" 1
57 1 20 VAL HA 1 24 GLY H . . 5.500 3.740 3.511 4.151 . 0 0 "[ . 1 ]" 1
58 1 20 VAL HB 1 21 ALA H . . 4.500 4.136 3.944 4.306 . 0 0 "[ . 1 ]" 1
59 1 20 VAL QG 1 21 ALA H . . 5.500 2.354 2.292 2.470 . 0 0 "[ . 1 ]" 1
60 1 20 VAL QG 1 21 ALA HA . . 4.500 3.033 2.819 3.198 . 0 0 "[ . 1 ]" 1
61 1 20 VAL QG 1 23 PHE QB . . 6.700 4.713 4.503 4.911 . 0 0 "[ . 1 ]" 1
62 1 20 VAL QG 1 25 GLY H . . 7.700 3.919 3.584 4.782 . 0 0 "[ . 1 ]" 1
63 1 20 VAL QG 1 84 MET HA . . 6.700 4.125 3.385 5.445 . 0 0 "[ . 1 ]" 1
64 1 20 VAL QG 1 84 MET QB . . 6.700 3.737 3.075 4.230 . 0 0 "[ . 1 ]" 1
65 1 20 VAL QG 1 87 TYR QB . . 6.700 3.441 2.437 4.754 . 0 0 "[ . 1 ]" 1
66 1 20 VAL O 1 24 GLY H . . 2.300 2.220 1.961 2.381 0.081 1 0 "[ . 1 ]" 1
67 1 20 VAL O 1 24 GLY N . 2.700 3.300 2.870 2.500 3.042 0.200 10 0 "[ . 1 ]" 1
68 1 21 ALA H 1 21 ALA HA . . 2.800 2.816 2.780 2.870 0.070 10 0 "[ . 1 ]" 1
69 1 21 ALA HA 1 22 ALA H . . 3.500 3.639 3.611 3.683 0.183 10 0 "[ . 1 ]" 1
70 1 21 ALA HA 1 24 GLY H . . 3.500 4.164 2.903 4.467 0.967 1 9 "[+*-*** **1*]" 1
71 1 21 ALA HA 1 25 GLY H . . 4.500 2.457 2.350 2.958 . 0 0 "[ . 1 ]" 1
72 1 21 ALA HA 1 25 GLY QA . . 6.500 2.261 2.184 2.527 . 0 0 "[ . 1 ]" 1
73 1 21 ALA MB 1 22 ALA H . . 5.500 2.704 2.630 2.795 . 0 0 "[ . 1 ]" 1
74 1 21 ALA MB 1 22 ALA HA . . 5.500 3.820 3.748 3.897 . 0 0 "[ . 1 ]" 1
75 1 21 ALA O 1 25 GLY H . . 2.300 2.111 1.957 2.248 . 0 0 "[ . 1 ]" 1
76 1 21 ALA O 1 25 GLY N . 2.700 3.300 2.833 2.655 2.950 0.045 10 0 "[ . 1 ]" 1
77 1 22 ALA H 1 22 ALA HA . . 2.800 2.740 2.685 2.789 . 0 0 "[ . 1 ]" 1
78 1 22 ALA H 1 22 ALA MB . . 3.500 2.273 2.234 2.316 . 0 0 "[ . 1 ]" 1
79 1 22 ALA H 1 23 PHE H . . 2.800 3.125 2.989 3.199 0.399 8 0 "[ . 1 ]" 1
80 1 22 ALA HA 1 23 PHE H . . 3.500 3.597 3.561 3.642 0.142 8 0 "[ . 1 ]" 1
81 1 22 ALA HA 1 24 GLY H . . 4.500 5.665 4.513 5.894 1.394 8 10 [******-+*1*] 1
82 1 22 ALA HA 1 50 ASP H . . 5.500 5.510 4.940 7.081 1.581 11 2 "[ . - 1+]" 1
83 1 22 ALA HA 1 50 ASP QB . . 5.500 5.585 4.874 6.455 0.955 11 2 "[ - 1+]" 1
84 1 22 ALA MB 1 23 PHE H . . 3.500 2.936 2.503 3.163 . 0 0 "[ . 1 ]" 1
85 1 22 ALA MB 1 23 PHE QB . . 5.500 3.345 3.212 3.458 . 0 0 "[ . 1 ]" 1
86 1 22 ALA MB 1 50 ASP QB . . 5.500 2.977 2.371 3.700 . 0 0 "[ . 1 ]" 1
87 1 22 ALA MB 1 54 LEU H . . 5.500 5.105 4.885 5.449 . 0 0 "[ . 1 ]" 1
88 1 22 ALA MB 1 54 LEU HA . . 5.500 5.453 5.322 5.631 0.131 10 0 "[ . 1 ]" 1
89 1 22 ALA MB 1 54 LEU QB . . 6.700 3.818 3.663 4.091 . 0 0 "[ . 1 ]" 1
90 1 22 ALA MB 1 54 LEU QD . . 6.700 2.565 2.399 2.766 . 0 0 "[ . 1 ]" 1
91 1 22 ALA MB 1 54 LEU HG . . 5.500 4.873 4.673 5.116 . 0 0 "[ . 1 ]" 1
92 1 23 PHE H 1 23 PHE HA . . 2.800 2.990 2.950 3.019 0.219 9 0 "[ . 1 ]" 1
93 1 23 PHE H 1 23 PHE QB . . 3.500 2.672 2.537 2.811 . 0 0 "[ . 1 ]" 1
94 1 23 PHE H 1 24 GLY H . . 2.800 2.286 2.232 2.342 . 0 0 "[ . 1 ]" 1
95 1 23 PHE H 1 49 VAL QG . . 6.700 4.245 3.767 4.847 . 0 0 "[ . 1 ]" 1
96 1 23 PHE H 1 51 GLN HA . . 5.500 6.659 5.999 6.911 1.411 11 10 [********-1+] 1
97 1 23 PHE HA 1 24 GLY H . . 3.500 3.685 3.291 3.739 0.239 9 0 "[ . 1 ]" 1
98 1 23 PHE HA 1 26 LYS H . . 3.500 3.780 3.250 5.605 2.105 10 2 "[ . - + ]" 1
99 1 23 PHE HA 1 43 VAL QG . . 6.700 4.586 3.964 4.891 . 0 0 "[ . 1 ]" 1
100 1 23 PHE HA 1 49 VAL HA . . 5.500 5.665 4.772 6.174 0.674 5 2 "[ -+ 1 ]" 1
101 1 23 PHE HA 1 49 VAL QG . . 6.700 2.988 2.295 3.434 . 0 0 "[ . 1 ]" 1
102 1 23 PHE QR 1 45 ASP H . . 6.700 4.877 4.333 5.589 . 0 0 "[ . 1 ]" 1
103 1 23 PHE QR 1 49 VAL QG . . 6.700 2.342 2.051 2.680 . 0 0 "[ . 1 ]" 1
104 1 23 PHE QR 1 51 GLN QG . . 6.700 2.545 2.008 4.062 . 0 0 "[ . 1 ]" 1
105 1 23 PHE QR 1 54 LEU QD . . 6.700 2.476 2.247 3.007 . 0 0 "[ . 1 ]" 1
106 1 24 GLY H 1 25 GLY H . . 2.800 2.700 2.240 2.898 0.098 7 0 "[ . 1 ]" 1
107 1 24 GLY QA 1 26 LYS QB . . 6.500 4.776 4.516 5.366 . 0 0 "[ . 1 ]" 1
108 1 24 GLY QA 1 39 LEU QB . . 6.500 5.762 5.297 6.183 . 0 0 "[ . 1 ]" 1
109 1 25 GLY H 1 26 LYS QG . . 4.500 3.620 2.965 4.270 . 0 0 "[ . 1 ]" 1
110 1 25 GLY QA 1 26 LYS H . . 3.500 3.002 2.590 3.083 . 0 0 "[ . 1 ]" 1
111 1 25 GLY QA 1 26 LYS QG . . 5.500 4.305 4.086 4.557 . 0 0 "[ . 1 ]" 1
112 1 26 LYS H 1 26 LYS HA . . 2.800 2.978 2.935 3.023 0.223 10 0 "[ . 1 ]" 1
113 1 26 LYS H 1 26 LYS QB . . 3.500 2.470 2.284 2.943 . 0 0 "[ . 1 ]" 1
114 1 26 LYS H 1 26 LYS QD . . 2.800 3.569 2.183 3.973 1.173 6 9 "[-****+ **1*]" 1
115 1 26 LYS H 1 26 LYS QG . . 2.800 2.584 2.377 3.261 0.461 10 0 "[ . 1 ]" 1
116 1 26 LYS H 1 27 GLU H . . 3.500 3.767 3.333 4.124 0.624 8 3 "[ *. + 1-]" 1
117 1 26 LYS HA 1 26 LYS QD . . 4.500 2.653 2.302 3.784 . 0 0 "[ . 1 ]" 1
118 1 26 LYS HA 1 26 LYS QG . . 3.500 2.905 2.485 3.124 . 0 0 "[ . 1 ]" 1
119 1 26 LYS HA 1 27 GLU H . . 3.500 2.534 2.436 2.732 . 0 0 "[ . 1 ]" 1
120 1 26 LYS HA 1 28 ASN H . . 4.500 3.557 3.361 3.707 . 0 0 "[ . 1 ]" 1
121 1 26 LYS QB 1 27 GLU H . . 5.500 3.964 3.883 4.049 . 0 0 "[ . 1 ]" 1
122 1 26 LYS QD 1 27 GLU H . . 5.500 4.716 4.316 5.394 . 0 0 "[ . 1 ]" 1
123 1 26 LYS QE 1 45 ASP QB . . 5.500 3.664 2.266 4.658 . 0 0 "[ . 1 ]" 1
124 1 26 LYS QG 1 27 GLU H . . 5.500 4.885 4.689 4.983 . 0 0 "[ . 1 ]" 1
125 1 27 GLU H 1 27 GLU HA . . 2.800 2.782 2.655 2.855 0.055 4 0 "[ . 1 ]" 1
126 1 27 GLU H 1 27 GLU QB . . 3.700 2.278 2.217 2.370 . 0 0 "[ . 1 ]" 1
127 1 27 GLU H 1 28 ASN H . . 2.800 2.902 2.729 3.245 0.445 10 0 "[ . 1 ]" 1
128 1 27 GLU HA 1 27 GLU QG . . 3.500 3.273 3.196 3.352 . 0 0 "[ . 1 ]" 1
129 1 27 GLU HA 1 28 ASN H . . 3.500 3.581 3.539 3.601 0.101 11 0 "[ . 1 ]" 1
130 1 27 GLU QB 1 28 ASN H . . 4.000 3.608 3.471 3.752 . 0 0 "[ . 1 ]" 1
131 1 27 GLU QG 1 28 ASN QB . . 4.500 3.729 3.631 3.854 . 0 0 "[ . 1 ]" 1
132 1 28 ASN H 1 28 ASN HA . . 2.800 2.748 2.727 2.789 . 0 0 "[ . 1 ]" 1
133 1 28 ASN H 1 28 ASN QB . . 2.800 2.244 2.201 2.273 . 0 0 "[ . 1 ]" 1
134 1 28 ASN H 1 29 ILE H . . 2.800 3.007 2.957 3.065 0.265 7 0 "[ . 1 ]" 1
135 1 28 ASN HA 1 29 ILE H . . 3.500 3.548 3.502 3.583 0.083 8 0 "[ . 1 ]" 1
136 1 28 ASN QB 1 29 ILE H . . 4.500 2.931 2.642 3.302 . 0 0 "[ . 1 ]" 1
137 1 29 ILE H 1 29 ILE HB . . 2.800 2.336 2.288 2.402 . 0 0 "[ . 1 ]" 1
138 1 29 ILE H 1 29 ILE MD . . 3.500 2.383 2.239 2.651 . 0 0 "[ . 1 ]" 1
139 1 29 ILE H 1 29 ILE HG13 . . 4.500 3.987 3.689 4.134 . 0 0 "[ . 1 ]" 1
140 1 29 ILE H 1 43 VAL HB . . 5.500 5.672 4.640 6.624 1.124 9 2 "[- . +1 ]" 1
141 1 29 ILE H 1 43 VAL QG . . 6.700 4.393 3.392 4.763 . 0 0 "[ . 1 ]" 1
142 1 29 ILE HA 1 29 ILE HB . . 2.800 2.994 2.845 3.064 0.264 5 0 "[ . 1 ]" 1
143 1 29 ILE HA 1 29 ILE MD . . 3.500 2.250 2.041 3.065 . 0 0 "[ . 1 ]" 1
144 1 29 ILE HA 1 29 ILE MG . . 3.500 2.986 2.722 3.185 . 0 0 "[ . 1 ]" 1
145 1 29 ILE HA 1 30 THR H . . 2.500 2.308 2.257 2.356 . 0 0 "[ . 1 ]" 1
146 1 29 ILE HA 1 31 ASN H . . 4.500 4.713 4.366 4.929 0.429 11 0 "[ . 1 ]" 1
147 1 29 ILE HA 1 41 VAL QG . . 6.700 4.891 4.105 5.331 . 0 0 "[ . 1 ]" 1
148 1 29 ILE HA 1 43 VAL HA . . 5.500 5.114 4.695 5.351 . 0 0 "[ . 1 ]" 1
149 1 29 ILE HA 1 43 VAL QG . . 6.700 2.892 2.233 3.507 . 0 0 "[ . 1 ]" 1
150 1 29 ILE HB 1 29 ILE MD . . 3.500 2.873 2.257 3.198 . 0 0 "[ . 1 ]" 1
151 1 29 ILE MD 1 41 VAL QG . . 6.700 2.973 2.362 3.509 . 0 0 "[ . 1 ]" 1
152 1 29 ILE QG 1 31 ASN H . . 5.500 4.561 3.705 5.038 . 0 0 "[ . 1 ]" 1
153 1 29 ILE MG 1 30 THR H . . 4.500 2.507 2.176 3.505 . 0 0 "[ . 1 ]" 1
154 1 29 ILE MG 1 31 ASN H . . 4.500 2.982 2.112 4.844 0.344 8 0 "[ . 1 ]" 1
155 1 29 ILE MG 1 41 VAL QG . . 6.700 3.526 2.228 4.780 . 0 0 "[ . 1 ]" 1
156 1 30 THR H 1 30 THR HB . . 3.500 3.410 2.390 3.706 0.206 6 0 "[ . 1 ]" 1
157 1 30 THR H 1 30 THR MG . . 3.500 2.372 2.043 3.477 . 0 0 "[ . 1 ]" 1
158 1 30 THR H 1 31 ASN H . . 2.800 2.630 2.388 3.095 0.295 2 0 "[ . 1 ]" 1
159 1 30 THR H 1 43 VAL H . . 5.500 5.917 5.562 6.154 0.654 4 4 "[ *+. *- ]" 1
160 1 30 THR H 1 43 VAL HA . . 3.500 3.837 3.101 4.297 0.797 10 3 "[ -*. + ]" 1
161 1 30 THR HA 1 30 THR HB . . 2.500 2.431 2.245 2.992 0.492 7 0 "[ . 1 ]" 1
162 1 30 THR HA 1 30 THR MG . . 3.500 2.889 2.323 3.312 . 0 0 "[ . 1 ]" 1
163 1 30 THR HA 1 43 VAL QG . . 6.700 4.860 4.398 5.586 . 0 0 "[ . 1 ]" 1
164 1 30 THR HB 1 43 VAL HB . . 5.500 5.349 3.484 6.170 0.670 9 1 "[ . +1 ]" 1
165 1 30 THR HB 1 43 VAL QG . . 6.700 4.621 3.008 5.628 . 0 0 "[ . 1 ]" 1
166 1 31 ASN H 1 31 ASN HA . . 2.800 2.990 2.944 3.014 0.214 8 0 "[ . 1 ]" 1
167 1 31 ASN H 1 32 LEU QD . . 6.700 3.436 2.225 5.408 . 0 0 "[ . 1 ]" 1
168 1 31 ASN H 1 41 VAL QG . . 6.700 5.105 4.860 5.289 . 0 0 "[ . 1 ]" 1
169 1 31 ASN H 1 42 SER H . . 3.500 4.159 3.514 4.667 1.167 6 8 "[- **.+***1*]" 1
170 1 31 ASN H 1 42 SER QB . . 5.500 3.700 3.044 4.875 . 0 0 "[ . 1 ]" 1
171 1 31 ASN H 1 42 SER O . . 2.300 2.493 2.063 2.881 0.581 1 2 "[+ . 1-]" 1
172 1 31 ASN H 1 43 VAL QG . . 6.700 3.003 2.218 3.990 . 0 0 "[ . 1 ]" 1
173 1 31 ASN HA 1 32 LEU H . . 2.500 2.303 2.272 2.403 . 0 0 "[ . 1 ]" 1
174 1 31 ASN HA 1 32 LEU QB . . 4.500 4.329 3.773 4.840 0.340 10 0 "[ . 1 ]" 1
175 1 31 ASN QB 1 42 SER H . . 5.500 3.918 3.145 4.771 . 0 0 "[ . 1 ]" 1
176 1 31 ASN QB 1 42 SER QB . . 5.500 2.549 2.091 3.836 . 0 0 "[ . 1 ]" 1
177 1 31 ASN N 1 42 SER O . 2.700 3.300 3.411 2.989 3.731 0.431 11 0 "[ . 1 ]" 1
178 1 31 ASN O 1 42 SER H . . 2.300 2.325 1.838 2.972 0.672 8 1 "[ . + 1 ]" 1
179 1 31 ASN O 1 42 SER N . 2.700 3.300 3.023 2.740 3.743 0.443 8 0 "[ . 1 ]" 1
180 1 32 LEU H 1 32 LEU QB . . 3.500 2.546 2.334 3.130 . 0 0 "[ . 1 ]" 1
181 1 32 LEU HA 1 33 ASP H . . 2.500 2.488 2.366 2.822 0.322 8 0 "[ . 1 ]" 1
182 1 32 LEU HA 1 41 VAL HA . . 2.500 2.919 2.655 3.280 0.780 8 4 "[ -. *+ 1*]" 1
183 1 32 LEU HA 1 41 VAL QG . . 6.700 3.950 3.615 4.372 . 0 0 "[ . 1 ]" 1
184 1 32 LEU HA 1 42 SER H . . 3.500 2.934 2.668 3.311 . 0 0 "[ . 1 ]" 1
185 1 32 LEU QB 1 33 ASP H . . 5.000 2.762 2.320 3.847 . 0 0 "[ . 1 ]" 1
186 1 32 LEU QB 1 33 ASP HA . . 5.000 4.055 3.771 4.552 . 0 0 "[ . 1 ]" 1
187 1 32 LEU QB 1 40 ARG H . . 5.500 4.071 3.290 4.933 . 0 0 "[ . 1 ]" 1
188 1 32 LEU QD 1 33 ASP H . . 6.700 3.501 2.348 4.084 . 0 0 "[ . 1 ]" 1
189 1 32 LEU QD 1 40 ARG QB . . 6.700 4.335 3.864 4.792 . 0 0 "[ . 1 ]" 1
190 1 32 LEU QD 1 41 VAL HA . . 6.700 2.389 2.079 3.423 . 0 0 "[ . 1 ]" 1
191 1 32 LEU QD 1 41 VAL HB . . 6.700 4.163 3.952 4.737 . 0 0 "[ . 1 ]" 1
192 1 32 LEU QD 1 41 VAL QG . . 6.700 2.094 1.920 2.381 . 0 0 "[ . 1 ]" 1
193 1 32 LEU HG 1 41 VAL QG . . 6.700 2.804 2.284 4.190 . 0 0 "[ . 1 ]" 1
194 1 33 ASP H 1 33 ASP HA . . 2.800 2.988 2.917 3.020 0.220 9 0 "[ . 1 ]" 1
195 1 33 ASP H 1 33 ASP QB . . 3.500 2.696 2.536 2.870 . 0 0 "[ . 1 ]" 1
196 1 33 ASP H 1 40 ARG H . . 3.500 2.448 2.300 2.648 . 0 0 "[ . 1 ]" 1
197 1 33 ASP H 1 40 ARG O . . 2.300 2.648 2.375 2.937 0.637 10 3 "[ . * +-]" 1
198 1 33 ASP H 1 41 VAL HA . . 3.500 4.337 4.124 4.557 1.057 11 11 [*******-**+] 1
199 1 33 ASP H 1 41 VAL QG . . 6.700 4.441 4.300 4.642 . 0 0 "[ . 1 ]" 1
200 1 33 ASP HA 1 34 ALA H . . 2.500 2.502 2.361 2.685 0.185 2 0 "[ . 1 ]" 1
201 1 33 ASP QB 1 34 ALA H . . 4.500 4.034 3.974 4.113 . 0 0 "[ . 1 ]" 1
202 1 33 ASP N 1 40 ARG O . 2.700 3.300 3.566 3.302 3.882 0.582 10 2 "[ . - + ]" 1
203 1 33 ASP O 1 40 ARG H . . 2.300 3.040 2.201 3.708 1.408 11 6 "[** *- *1+]" 1
204 1 33 ASP O 1 40 ARG N . 2.700 3.300 3.570 3.133 3.980 0.680 11 2 "[ - . 1+]" 1
205 1 34 ALA H 1 34 ALA HA . . 2.800 2.853 2.817 2.906 0.106 8 0 "[ . 1 ]" 1
206 1 34 ALA H 1 34 ALA MB . . 3.500 2.315 2.296 2.348 . 0 0 "[ . 1 ]" 1
207 1 34 ALA HA 1 35 CYS H . . 2.500 2.405 2.335 2.455 . 0 0 "[ . 1 ]" 1
208 1 34 ALA HA 1 39 LEU HA . . 2.500 2.239 2.185 2.281 . 0 0 "[ . 1 ]" 1
209 1 34 ALA HA 1 40 ARG H . . 3.500 3.420 3.148 3.681 0.181 7 0 "[ . 1 ]" 1
210 1 34 ALA MB 1 35 CYS H . . 3.500 2.814 2.690 2.968 . 0 0 "[ . 1 ]" 1
211 1 34 ALA MB 1 39 LEU HA . . 4.500 3.874 3.582 3.956 . 0 0 "[ . 1 ]" 1
212 1 34 ALA MB 1 39 LEU QB . . 5.500 3.141 2.781 4.474 . 0 0 "[ . 1 ]" 1
213 1 34 ALA MB 1 40 ARG H . . 5.500 4.418 4.166 4.913 . 0 0 "[ . 1 ]" 1
214 1 35 CYS H 1 38 ARG H . . 3.500 3.345 2.980 3.657 0.157 8 0 "[ . 1 ]" 1
215 1 35 CYS H 1 38 ARG O . . 2.300 2.207 2.011 2.519 0.219 6 0 "[ . 1 ]" 1
216 1 35 CYS H 1 39 LEU HA . . 3.500 3.203 2.895 3.655 0.155 5 0 "[ . 1 ]" 1
217 1 35 CYS HA 1 36 ILE H . . 3.600 2.558 2.479 2.664 . 0 0 "[ . 1 ]" 1
218 1 35 CYS QB 1 36 ILE H . . 2.800 2.877 2.454 3.302 0.502 2 1 "[ + . 1 ]" 1
219 1 35 CYS QB 1 39 LEU HA . . 4.500 4.078 3.801 4.793 0.293 5 0 "[ . 1 ]" 1
220 1 35 CYS N 1 38 ARG O . 2.700 3.300 2.684 2.609 2.809 0.091 3 0 "[ . 1 ]" 1
221 1 35 CYS O 1 38 ARG H . . 2.300 2.143 1.964 2.271 . 0 0 "[ . 1 ]" 1
222 1 35 CYS O 1 38 ARG N . 2.700 3.300 3.101 2.906 3.209 . 0 0 "[ . 1 ]" 1
223 1 36 ILE HA 1 36 ILE MD . . 4.000 3.674 3.596 3.827 . 0 0 "[ . 1 ]" 1
224 1 36 ILE HA 1 36 ILE MG . . 3.500 2.301 2.183 2.363 . 0 0 "[ . 1 ]" 1
225 1 36 ILE HB 1 38 ARG H . . 5.000 5.228 4.515 5.618 0.618 5 2 "[ + - 1 ]" 1
226 1 36 ILE MD 1 38 ARG QB . . 5.500 2.999 2.407 3.985 . 0 0 "[ . 1 ]" 1
227 1 36 ILE QG 1 37 THR H . . 5.500 2.315 2.112 3.386 . 0 0 "[ . 1 ]" 1
228 1 36 ILE QG 1 38 ARG H . . 4.500 4.369 3.057 4.626 0.126 2 0 "[ . 1 ]" 1
229 1 36 ILE MG 1 37 THR H . . 4.500 4.095 3.880 4.158 . 0 0 "[ . 1 ]" 1
230 1 37 THR HA 1 39 LEU HG . . 5.500 6.380 5.881 7.114 1.614 9 9 "[****.* *+-*]" 1
231 1 37 THR O 1 73 PHE H . . 2.300 2.147 1.888 2.578 0.278 7 0 "[ . 1 ]" 1
232 1 37 THR O 1 73 PHE N . 2.700 3.300 3.098 2.809 3.516 0.216 7 0 "[ . 1 ]" 1
233 1 38 ARG H 1 39 LEU H . . 4.500 4.205 3.903 4.442 . 0 0 "[ . 1 ]" 1
234 1 38 ARG HA 1 39 LEU H . . 2.500 2.329 2.284 2.397 . 0 0 "[ . 1 ]" 1
235 1 38 ARG HA 1 71 ALA MB . . 5.500 5.142 4.709 5.430 . 0 0 "[ . 1 ]" 1
236 1 38 ARG HA 1 72 ILE HA . . 2.500 2.292 2.181 2.595 0.095 11 0 "[ . 1 ]" 1
237 1 38 ARG HA 1 72 ILE QG . . 5.500 2.685 2.339 3.115 . 0 0 "[ . 1 ]" 1
238 1 38 ARG HA 1 73 PHE H . . 3.500 2.965 2.534 3.245 . 0 0 "[ . 1 ]" 1
239 1 39 LEU H 1 39 LEU QB . . 3.500 3.113 2.681 3.276 . 0 0 "[ . 1 ]" 1
240 1 39 LEU H 1 39 LEU HG . . 3.500 2.662 2.329 4.221 0.721 5 1 "[ + 1 ]" 1
241 1 39 LEU H 1 71 ALA H . . 3.500 3.936 3.473 4.389 0.889 6 4 "[ .+ *-* ]" 1
242 1 39 LEU H 1 71 ALA MB . . 5.500 3.446 2.966 3.783 . 0 0 "[ . 1 ]" 1
243 1 39 LEU H 1 71 ALA O . . 2.300 2.015 1.718 2.630 0.330 6 0 "[ . 1 ]" 1
244 1 39 LEU HA 1 39 LEU HG . . 3.500 3.638 2.396 3.830 0.330 2 0 "[ . 1 ]" 1
245 1 39 LEU HA 1 40 ARG H . . 2.500 2.441 2.234 2.685 0.185 4 0 "[ . 1 ]" 1
246 1 39 LEU QB 1 41 VAL QG . . 6.700 4.009 3.725 4.351 . 0 0 "[ . 1 ]" 1
247 1 39 LEU QB 1 71 ALA H . . 5.500 5.500 4.933 5.981 0.481 8 0 "[ . 1 ]" 1
248 1 39 LEU QB 1 71 ALA MB . . 5.500 3.951 3.406 4.468 . 0 0 "[ . 1 ]" 1
249 1 39 LEU QD 1 40 ARG H . . 6.700 3.241 2.456 4.457 . 0 0 "[ . 1 ]" 1
250 1 39 LEU QD 1 41 VAL QG . . 6.700 2.482 2.044 3.466 . 0 0 "[ . 1 ]" 1
251 1 39 LEU QD 1 71 ALA MB . . 6.700 2.470 2.047 4.353 . 0 0 "[ . 1 ]" 1
252 1 39 LEU QD 1 72 ILE HA . . 6.700 4.899 4.389 5.545 . 0 0 "[ . 1 ]" 1
253 1 39 LEU HG 1 41 VAL QG . . 6.700 4.612 4.204 5.735 . 0 0 "[ . 1 ]" 1
254 1 39 LEU N 1 71 ALA O . 2.700 3.300 2.851 2.651 3.191 0.049 9 0 "[ . 1 ]" 1
255 1 39 LEU O 1 71 ALA H . . 2.300 2.467 1.828 3.567 1.267 7 3 "[ - . +* 1 ]" 1
256 1 39 LEU O 1 71 ALA N . 2.700 3.300 3.042 2.672 3.664 0.364 7 0 "[ . 1 ]" 1
257 1 40 ARG H 1 40 ARG QG . . 3.700 2.963 2.275 3.799 0.099 5 0 "[ . 1 ]" 1
258 1 40 ARG HA 1 41 VAL H . . 2.500 2.508 2.324 2.628 0.128 7 0 "[ . 1 ]" 1
259 1 40 ARG HA 1 70 GLN HA . . 2.500 2.639 2.372 2.833 0.333 3 0 "[ . 1 ]" 1
260 1 40 ARG HA 1 71 ALA H . . 3.500 2.331 2.082 2.451 . 0 0 "[ . 1 ]" 1
261 1 40 ARG HA 1 71 ALA HA . . 2.500 4.387 4.117 4.947 2.447 10 11 [*******-*+*] 1
262 1 40 ARG HA 1 71 ALA MB . . 5.500 2.517 2.313 3.127 . 0 0 "[ . 1 ]" 1
263 1 41 VAL H 1 41 VAL HB . . 2.800 3.109 2.807 3.559 0.759 10 3 "[ * - + ]" 1
264 1 41 VAL H 1 43 VAL QG . . 6.700 4.779 4.470 5.197 . 0 0 "[ . 1 ]" 1
265 1 41 VAL H 1 69 VAL H . . 3.500 3.640 3.407 4.158 0.658 8 2 "[ - + 1 ]" 1
266 1 41 VAL H 1 69 VAL QG . . 6.700 3.359 2.949 3.937 . 0 0 "[ . 1 ]" 1
267 1 41 VAL H 1 69 VAL O . . 2.300 2.065 1.794 2.525 0.225 8 0 "[ . 1 ]" 1
268 1 41 VAL H 1 70 GLN HA . . 3.500 3.166 2.547 3.412 . 0 0 "[ . 1 ]" 1
269 1 41 VAL HA 1 42 SER H . . 2.500 2.488 2.376 2.583 0.083 6 0 "[ . 1 ]" 1
270 1 41 VAL HB 1 69 VAL H . . 4.500 5.263 5.003 5.736 1.236 5 11 [***-+******] 1
271 1 41 VAL HB 1 69 VAL HB . . 4.500 3.092 2.581 3.996 . 0 0 "[ . 1 ]" 1
272 1 41 VAL QG 1 42 SER H . . 6.700 3.775 3.711 3.844 . 0 0 "[ . 1 ]" 1
273 1 41 VAL QG 1 43 VAL H . . 6.700 4.577 4.052 5.507 . 0 0 "[ . 1 ]" 1
274 1 41 VAL QG 1 43 VAL HB . . 6.700 4.657 4.178 5.177 . 0 0 "[ . 1 ]" 1
275 1 41 VAL N 1 69 VAL O . 2.700 3.300 2.985 2.754 3.335 0.035 8 0 "[ . 1 ]" 1
276 1 41 VAL O 1 69 VAL H . . 2.300 3.605 3.053 3.876 1.576 8 11 [*******+*-*] 1
277 1 41 VAL O 1 69 VAL N . 2.700 3.300 4.053 3.788 4.362 1.062 8 10 [****-**+*1*] 1
278 1 42 SER H 1 42 SER QB . . 3.500 2.418 2.237 2.852 . 0 0 "[ . 1 ]" 1
279 1 42 SER H 1 43 VAL QG . . 5.500 3.497 3.224 3.860 . 0 0 "[ . 1 ]" 1
280 1 42 SER HA 1 43 VAL H . . 2.500 2.295 2.242 2.332 . 0 0 "[ . 1 ]" 1
281 1 42 SER HA 1 43 VAL QG . . 6.700 3.355 2.962 3.554 . 0 0 "[ . 1 ]" 1
282 1 42 SER HA 1 68 GLY QA . . 4.000 2.316 2.242 2.500 . 0 0 "[ . 1 ]" 1
283 1 42 SER HA 1 69 VAL H . . 3.500 2.249 2.208 2.293 . 0 0 "[ . 1 ]" 1
284 1 42 SER QB 1 43 VAL H . . 4.500 3.939 3.376 4.160 . 0 0 "[ . 1 ]" 1
285 1 43 VAL H 1 43 VAL QG . . 3.800 2.323 2.248 2.434 . 0 0 "[ . 1 ]" 1
286 1 43 VAL H 1 68 GLY QA . . 4.500 3.426 2.657 3.804 . 0 0 "[ . 1 ]" 1
287 1 43 VAL HA 1 43 VAL HB . . 2.800 2.401 2.290 2.444 . 0 0 "[ . 1 ]" 1
288 1 43 VAL HA 1 44 ALA H . . 3.500 2.446 2.374 2.554 . 0 0 "[ . 1 ]" 1
289 1 43 VAL HA 1 44 ALA MB . . 5.500 4.122 3.982 4.331 . 0 0 "[ . 1 ]" 1
290 1 43 VAL HB 1 44 ALA H . . 2.800 2.723 2.334 3.537 0.737 2 2 "[ + - 1 ]" 1
291 1 43 VAL HB 1 45 ASP H . . 5.500 3.033 2.436 4.829 . 0 0 "[ . 1 ]" 1
292 1 43 VAL QG 1 44 ALA H . . 6.700 2.971 2.230 3.387 . 0 0 "[ . 1 ]" 1
293 1 43 VAL QG 1 45 ASP H . . 6.700 2.274 2.064 2.483 . 0 0 "[ . 1 ]" 1
294 1 43 VAL QG 1 46 VAL H . . 6.700 3.780 2.478 4.344 . 0 0 "[ . 1 ]" 1
295 1 43 VAL QG 1 46 VAL HA . . 6.700 4.258 3.880 4.935 . 0 0 "[ . 1 ]" 1
296 1 43 VAL QG 1 46 VAL HB . . 6.700 4.233 3.823 4.895 . 0 0 "[ . 1 ]" 1
297 1 43 VAL QG 1 68 GLY QA . . 6.700 4.611 4.086 4.810 . 0 0 "[ . 1 ]" 1
298 1 43 VAL QG 1 69 VAL H . . 6.700 4.808 4.430 5.201 . 0 0 "[ . 1 ]" 1
299 1 44 ALA H 1 44 ALA HA . . 2.800 2.965 2.831 3.015 0.215 2 0 "[ . 1 ]" 1
300 1 44 ALA H 1 44 ALA MB . . 3.500 2.346 2.291 2.426 . 0 0 "[ . 1 ]" 1
301 1 44 ALA H 1 45 ASP H . . 3.500 2.606 2.337 3.657 0.157 2 0 "[ . 1 ]" 1
302 1 44 ALA H 1 45 ASP QB . . 5.500 4.609 4.207 5.013 . 0 0 "[ . 1 ]" 1
303 1 44 ALA HA 1 46 VAL QG . . 6.700 3.430 2.425 3.900 . 0 0 "[ . 1 ]" 1
304 1 44 ALA MB 1 45 ASP HA . . 4.500 4.054 3.701 4.344 . 0 0 "[ . 1 ]" 1
305 1 44 ALA MB 1 45 ASP QB . . 6.500 4.751 4.080 5.208 . 0 0 "[ . 1 ]" 1
306 1 44 ALA MB 1 46 VAL QG . . 6.700 3.959 3.544 4.383 . 0 0 "[ . 1 ]" 1
307 1 45 ASP H 1 45 ASP HA . . 2.800 2.830 2.539 2.996 0.196 2 0 "[ . 1 ]" 1
308 1 45 ASP H 1 45 ASP QB . . 3.500 2.518 2.233 2.879 . 0 0 "[ . 1 ]" 1
309 1 45 ASP HA 1 46 VAL H . . 2.800 2.878 2.472 3.677 0.877 9 3 "[ * - +1 ]" 1
310 1 45 ASP HA 1 46 VAL QG . . 6.000 4.204 3.867 4.430 . 0 0 "[ . 1 ]" 1
311 1 45 ASP HA 1 47 SER H . . 4.500 3.249 2.710 3.865 . 0 0 "[ . 1 ]" 1
312 1 45 ASP QB 1 46 VAL HB . . 5.500 5.465 5.282 5.792 0.292 7 0 "[ . 1 ]" 1
313 1 45 ASP QB 1 49 VAL QG . . 6.700 3.769 2.957 4.521 . 0 0 "[ . 1 ]" 1
314 1 46 VAL H 1 46 VAL HB . . 3.500 3.183 2.554 3.744 0.244 7 0 "[ . 1 ]" 1
315 1 46 VAL H 1 47 SER H . . 3.500 2.836 2.287 3.411 . 0 0 "[ . 1 ]" 1
316 1 46 VAL HA 1 46 VAL HB . . 2.800 2.404 2.253 2.551 . 0 0 "[ . 1 ]" 1
317 1 46 VAL HA 1 47 SER QB . . 5.500 4.780 4.428 4.937 . 0 0 "[ . 1 ]" 1
318 1 46 VAL HA 1 49 VAL H . . 5.000 3.763 2.588 5.040 0.040 2 0 "[ . 1 ]" 1
319 1 46 VAL HA 1 49 VAL HB . . 4.500 3.452 2.434 4.835 0.335 9 0 "[ . 1 ]" 1
320 1 46 VAL HA 1 49 VAL QG . . 6.700 2.180 2.078 2.469 . 0 0 "[ . 1 ]" 1
321 1 46 VAL QG 1 47 SER H . . 6.700 3.553 3.148 3.772 . 0 0 "[ . 1 ]" 1
322 1 46 VAL QG 1 47 SER HA . . 6.700 3.712 3.493 3.952 . 0 0 "[ . 1 ]" 1
323 1 46 VAL QG 1 47 SER QB . . 6.700 4.173 3.183 4.537 . 0 0 "[ . 1 ]" 1
324 1 47 SER H 1 47 SER HA . . 2.800 2.863 2.636 3.022 0.222 8 0 "[ . 1 ]" 1
325 1 47 SER H 1 47 SER QB . . 3.700 2.333 2.243 2.536 . 0 0 "[ . 1 ]" 1
326 1 47 SER H 1 48 LYS H . . 3.500 3.134 2.416 4.028 0.528 8 1 "[ . + 1 ]" 1
327 1 48 LYS H 1 48 LYS HA . . 2.800 2.823 2.300 3.019 0.219 10 0 "[ . 1 ]" 1
328 1 48 LYS H 1 48 LYS QD . . 3.500 2.354 2.064 2.827 . 0 0 "[ . 1 ]" 1
329 1 48 LYS H 1 48 LYS QG . . 4.500 3.195 2.306 3.741 . 0 0 "[ . 1 ]" 1
330 1 48 LYS H 1 49 VAL H . . 2.800 2.456 2.186 3.080 0.280 11 0 "[ . 1 ]" 1
331 1 48 LYS H 1 49 VAL QG . . 6.700 3.717 2.484 4.246 . 0 0 "[ . 1 ]" 1
332 1 48 LYS HA 1 48 LYS QD . . 3.500 3.621 3.408 3.750 0.250 5 0 "[ . 1 ]" 1
333 1 48 LYS QB 1 49 VAL H . . 5.500 3.922 3.347 4.166 . 0 0 "[ . 1 ]" 1
334 1 48 LYS QB 1 49 VAL HA . . 5.500 4.720 4.390 4.979 . 0 0 "[ . 1 ]" 1
335 1 48 LYS QD 1 49 VAL H . . 6.000 3.097 2.197 4.693 . 0 0 "[ . 1 ]" 1
336 1 48 LYS QD 1 49 VAL HA . . 5.500 3.651 2.439 5.685 0.185 8 0 "[ . 1 ]" 1
337 1 48 LYS QG 1 50 ASP H . . 6.000 5.704 5.234 6.290 0.290 3 0 "[ . 1 ]" 1
338 1 49 VAL H 1 49 VAL HA . . 2.800 2.723 2.280 2.993 0.193 11 0 "[ . 1 ]" 1
339 1 49 VAL H 1 49 VAL HB . . 2.800 2.560 2.329 3.292 0.492 11 0 "[ . 1 ]" 1
340 1 49 VAL HA 1 49 VAL HB . . 2.800 2.450 2.246 2.552 . 0 0 "[ . 1 ]" 1
341 1 49 VAL HA 1 50 ASP H . . 2.800 2.534 2.350 3.542 0.742 8 1 "[ . + 1 ]" 1
342 1 49 VAL QG 1 50 ASP H . . 6.700 2.519 2.116 3.775 . 0 0 "[ . 1 ]" 1
343 1 49 VAL QG 1 50 ASP HA . . 6.700 3.810 3.533 4.776 . 0 0 "[ . 1 ]" 1
344 1 49 VAL QG 1 51 GLN H . . 6.700 2.536 2.124 3.863 . 0 0 "[ . 1 ]" 1
345 1 49 VAL QG 1 51 GLN HA . . 6.700 3.340 2.995 3.769 . 0 0 "[ . 1 ]" 1
346 1 49 VAL QG 1 51 GLN QG . . 6.700 1.931 1.853 2.215 . 0 0 "[ . 1 ]" 1
347 1 49 VAL QG 1 53 GLY H . . 6.700 5.357 5.137 5.923 . 0 0 "[ . 1 ]" 1
348 1 49 VAL QG 1 54 LEU QD . . 6.700 3.439 3.058 3.812 . 0 0 "[ . 1 ]" 1
349 1 49 VAL QG 1 64 VAL QG . . 6.700 3.977 3.805 4.375 . 0 0 "[ . 1 ]" 1
350 1 50 ASP H 1 50 ASP QB . . 2.800 2.511 2.286 2.915 0.115 8 0 "[ . 1 ]" 1
351 1 50 ASP HA 1 51 GLN H . . 2.800 2.625 2.492 2.790 . 0 0 "[ . 1 ]" 1
352 1 50 ASP HA 1 51 GLN HG3 . . 4.500 4.769 4.276 5.209 0.709 7 3 "[* .-+ 1 ]" 1
353 1 50 ASP HA 1 52 ALA MB . . 5.500 3.960 3.605 4.157 . 0 0 "[ . 1 ]" 1
354 1 51 GLN H 1 51 GLN HA . . 2.800 2.900 2.859 2.945 0.145 8 0 "[ . 1 ]" 1
355 1 51 GLN H 1 51 GLN QB . . 2.800 2.628 2.477 3.144 0.344 10 0 "[ . 1 ]" 1
356 1 51 GLN H 1 51 GLN QG . . 3.500 2.343 1.973 2.684 . 0 0 "[ . 1 ]" 1
357 1 51 GLN HA 1 51 GLN QG . . 3.500 2.532 2.360 3.162 . 0 0 "[ . 1 ]" 1
358 1 51 GLN HA 1 52 ALA H . . 3.500 3.653 3.626 3.669 0.169 1 0 "[ . 1 ]" 1
359 1 51 GLN HA 1 52 ALA MB . . 5.500 5.079 4.986 5.128 . 0 0 "[ . 1 ]" 1
360 1 51 GLN HA 1 54 LEU HG . . 5.000 5.273 5.022 5.629 0.629 11 1 "[ . 1+]" 1
361 1 51 GLN QB 1 52 ALA H . . 3.500 2.581 2.376 3.202 . 0 0 "[ . 1 ]" 1
362 1 51 GLN QB 1 55 LYS QD . . 6.000 5.246 4.484 5.829 . 0 0 "[ . 1 ]" 1
363 1 51 GLN QG 1 54 LEU H . . 5.500 4.873 4.673 5.148 . 0 0 "[ . 1 ]" 1
364 1 51 GLN HG3 1 54 LEU H . . 5.500 5.441 5.164 5.916 0.416 2 0 "[ . 1 ]" 1
365 1 52 ALA H 1 52 ALA HA . . 2.800 2.746 2.695 2.801 0.001 11 0 "[ . 1 ]" 1
366 1 52 ALA H 1 52 ALA MB . . 3.500 2.267 2.258 2.287 . 0 0 "[ . 1 ]" 1
367 1 52 ALA H 1 53 GLY H . . 2.800 2.998 2.859 3.154 0.354 5 0 "[ . 1 ]" 1
368 1 52 ALA HA 1 54 LEU H . . 4.500 4.763 4.515 5.105 0.605 2 1 "[ + . 1 ]" 1
369 1 52 ALA HA 1 55 LYS H . . 4.500 4.030 3.782 4.227 . 0 0 "[ . 1 ]" 1
370 1 52 ALA HA 1 55 LYS QB . . 4.500 4.043 3.775 4.358 . 0 0 "[ . 1 ]" 1
371 1 52 ALA HA 1 55 LYS QD . . 4.500 3.261 2.301 3.969 . 0 0 "[ . 1 ]" 1
372 1 52 ALA HA 1 56 LYS H . . 4.500 5.030 4.805 5.296 0.796 10 8 "[ ** *** -+*]" 1
373 1 52 ALA HA 1 56 LYS QD . . 5.500 5.090 4.938 5.426 . 0 0 "[ . 1 ]" 1
374 1 52 ALA HA 1 64 VAL QG . . 6.700 5.156 4.957 5.274 . 0 0 "[ . 1 ]" 1
375 1 52 ALA MB 1 53 GLY QA . . 5.500 3.755 3.680 3.820 . 0 0 "[ . 1 ]" 1
376 1 53 GLY H 1 54 LEU H . . 2.800 2.421 2.392 2.462 . 0 0 "[ . 1 ]" 1
377 1 53 GLY QA 1 54 LEU HA . . 4.500 3.906 3.824 3.998 . 0 0 "[ . 1 ]" 1
378 1 53 GLY QA 1 54 LEU QB . . 5.500 4.324 4.228 4.408 . 0 0 "[ . 1 ]" 1
379 1 53 GLY QA 1 56 LYS H . . 4.500 3.639 3.517 3.750 . 0 0 "[ . 1 ]" 1
380 1 53 GLY QA 1 56 LYS QB . . 6.000 4.782 4.654 4.866 . 0 0 "[ . 1 ]" 1
381 1 53 GLY O 1 57 LEU H . . 2.300 1.845 1.761 1.950 0.039 2 0 "[ . 1 ]" 1
382 1 53 GLY O 1 57 LEU N . 2.700 3.300 2.747 2.622 2.809 0.078 10 0 "[ . 1 ]" 1
383 1 54 LEU H 1 54 LEU HA . . 2.800 2.831 2.778 2.878 0.078 11 0 "[ . 1 ]" 1
384 1 54 LEU H 1 54 LEU QB . . 2.800 2.215 2.168 2.268 . 0 0 "[ . 1 ]" 1
385 1 54 LEU H 1 54 LEU HG . . 4.000 4.376 4.296 4.426 0.426 11 0 "[ . 1 ]" 1
386 1 54 LEU H 1 55 LYS H . . 2.800 2.752 2.602 2.875 0.075 10 0 "[ . 1 ]" 1
387 1 54 LEU HA 1 54 LEU HG . . 2.800 2.284 2.261 2.301 . 0 0 "[ . 1 ]" 1
388 1 54 LEU HA 1 55 LYS H . . 3.500 3.485 3.387 3.563 0.063 10 0 "[ . 1 ]" 1
389 1 54 LEU HA 1 57 LEU H . . 3.500 3.519 3.058 3.822 0.322 2 0 "[ . 1 ]" 1
390 1 54 LEU HA 1 57 LEU QB . . 4.500 3.154 2.836 3.697 . 0 0 "[ . 1 ]" 1
391 1 54 LEU HA 1 57 LEU QD . . 6.700 3.918 3.190 4.251 . 0 0 "[ . 1 ]" 1
392 1 54 LEU QB 1 55 LYS H . . 4.500 3.178 2.868 3.396 . 0 0 "[ . 1 ]" 1
393 1 54 LEU QB 1 58 GLY QA . . 4.500 4.019 3.775 4.196 . 0 0 "[ . 1 ]" 1
394 1 54 LEU QD 1 55 LYS H . . 6.700 4.283 4.049 4.456 . 0 0 "[ . 1 ]" 1
395 1 54 LEU QD 1 57 LEU QD . . 7.200 4.468 3.859 4.686 . 0 0 "[ . 1 ]" 1
396 1 54 LEU QD 1 58 GLY QA . . 7.200 2.551 2.271 2.751 . 0 0 "[ . 1 ]" 1
397 1 54 LEU QD 1 62 VAL QG . . 7.200 3.406 2.987 3.617 . 0 0 "[ . 1 ]" 1
398 1 54 LEU QD 1 71 ALA MB . . 7.200 3.502 3.013 3.804 . 0 0 "[ . 1 ]" 1
399 1 54 LEU HG 1 57 LEU QB . . 5.500 4.758 4.348 5.456 . 0 0 "[ . 1 ]" 1
400 1 54 LEU HG 1 57 LEU QD . . 6.700 4.630 3.809 5.026 . 0 0 "[ . 1 ]" 1
401 1 54 LEU HG 1 58 GLY QA . . 3.500 2.304 2.178 2.582 . 0 0 "[ . 1 ]" 1
402 1 54 LEU O 1 58 GLY H . . 2.300 2.166 1.797 2.419 0.119 8 0 "[ . 1 ]" 1
403 1 54 LEU O 1 58 GLY N . 2.700 3.300 2.881 2.640 3.042 0.060 7 0 "[ . 1 ]" 1
404 1 55 LYS H 1 55 LYS HA . . 2.800 2.858 2.721 2.923 0.123 11 0 "[ . 1 ]" 1
405 1 55 LYS H 1 55 LYS QB . . 3.500 2.495 2.385 2.619 . 0 0 "[ . 1 ]" 1
406 1 55 LYS H 1 55 LYS QG . . 4.500 2.740 2.169 3.705 . 0 0 "[ . 1 ]" 1
407 1 55 LYS H 1 56 LYS H . . 2.800 2.583 2.381 2.969 0.169 7 0 "[ . 1 ]" 1
408 1 55 LYS HA 1 55 LYS QG . . 3.500 3.555 3.457 3.653 0.153 1 0 "[ . 1 ]" 1
409 1 55 LYS HA 1 56 LYS H . . 3.500 3.504 3.477 3.534 0.034 5 0 "[ . 1 ]" 1
410 1 55 LYS HA 1 58 GLY H . . 3.500 4.157 3.971 4.348 0.848 2 9 "[ +*******1-]" 1
411 1 55 LYS HA 1 59 ALA MB . . 6.000 2.604 2.380 2.899 . 0 0 "[ . 1 ]" 1
412 1 55 LYS QB 1 56 LYS H . . 5.500 3.455 3.366 3.572 . 0 0 "[ . 1 ]" 1
413 1 55 LYS QB 1 59 ALA MB . . 6.500 3.875 3.607 4.143 . 0 0 "[ . 1 ]" 1
414 1 55 LYS QD 1 56 LYS QG . . 5.500 2.569 2.435 2.660 . 0 0 "[ . 1 ]" 1
415 1 55 LYS HG2 1 56 LYS H . . 4.500 3.667 2.735 4.119 . 0 0 "[ . 1 ]" 1
416 1 55 LYS O 1 59 ALA H . . 2.300 3.136 2.740 3.783 1.483 5 10 "[****+** -**]" 1
417 1 55 LYS O 1 59 ALA N . 2.700 3.300 3.694 3.401 4.144 0.844 5 3 "[ * + - ]" 1
418 1 56 LYS H 1 56 LYS HA . . 2.800 2.994 2.965 3.024 0.224 2 0 "[ . 1 ]" 1
419 1 56 LYS H 1 56 LYS QB . . 3.500 2.835 2.739 3.064 . 0 0 "[ . 1 ]" 1
420 1 56 LYS H 1 56 LYS QD . . 5.500 3.779 3.567 4.145 . 0 0 "[ . 1 ]" 1
421 1 56 LYS H 1 56 LYS HG3 . . 3.500 3.308 2.759 3.527 0.027 10 0 "[ . 1 ]" 1
422 1 56 LYS H 1 57 LEU H . . 2.800 2.328 2.203 2.398 . 0 0 "[ . 1 ]" 1
423 1 56 LYS HA 1 56 LYS QG . . 3.800 3.441 3.403 3.465 . 0 0 "[ . 1 ]" 1
424 1 56 LYS HA 1 57 LEU H . . 3.500 3.569 3.452 3.631 0.131 2 0 "[ . 1 ]" 1
425 1 56 LYS HA 1 58 GLY H . . 4.500 4.833 4.497 5.070 0.570 1 1 "[+ . 1 ]" 1
426 1 56 LYS HA 1 59 ALA H . . 4.500 4.743 4.313 5.345 0.845 5 2 "[ + - ]" 1
427 1 56 LYS QB 1 56 LYS QE . . 3.500 2.321 2.222 2.520 . 0 0 "[ . 1 ]" 1
428 1 56 LYS QB 1 57 LEU H . . 4.500 3.704 3.465 3.974 . 0 0 "[ . 1 ]" 1
429 1 56 LYS HG3 1 57 LEU QB . . 4.000 3.030 2.522 3.475 . 0 0 "[ . 1 ]" 1
430 1 57 LEU H 1 57 LEU HA . . 2.800 2.953 2.876 2.994 0.194 5 0 "[ . 1 ]" 1
431 1 57 LEU H 1 57 LEU QB . . 2.800 2.279 2.187 2.376 . 0 0 "[ . 1 ]" 1
432 1 57 LEU H 1 58 GLY H . . 2.800 2.356 2.216 2.643 . 0 0 "[ . 1 ]" 1
433 1 57 LEU HA 1 57 LEU HG . . 3.500 3.109 2.533 3.821 0.321 4 0 "[ . 1 ]" 1
434 1 57 LEU HA 1 58 GLY H . . 3.500 3.662 3.614 3.706 0.206 5 0 "[ . 1 ]" 1
435 1 57 LEU HA 1 59 ALA H . . 5.500 5.299 4.894 5.757 0.257 5 0 "[ . 1 ]" 1
436 1 57 LEU QD 1 80 LEU HA . . 6.700 4.744 4.250 5.225 . 0 0 "[ . 1 ]" 1
437 1 57 LEU QD 1 84 MET QG . . 7.200 4.542 3.359 5.017 . 0 0 "[ . 1 ]" 1
438 1 58 GLY H 1 59 ALA H . . 2.800 2.452 2.273 2.614 . 0 0 "[ . 1 ]" 1
439 1 58 GLY QA 1 62 VAL QG . . 6.700 5.061 4.842 5.226 . 0 0 "[ . 1 ]" 1
440 1 58 GLY QA 1 84 MET QG . . 5.500 3.821 3.381 4.100 . 0 0 "[ . 1 ]" 1
441 1 59 ALA H 1 59 ALA HA . . 2.800 2.983 2.959 3.009 0.209 3 0 "[ . 1 ]" 1
442 1 59 ALA H 1 59 ALA MB . . 3.500 2.378 2.305 2.441 . 0 0 "[ . 1 ]" 1
443 1 59 ALA H 1 61 GLY H . . 4.500 4.657 4.284 5.047 0.547 5 2 "[ - + 1 ]" 1
444 1 59 ALA HA 1 60 ALA H . . 3.500 3.033 2.904 3.172 . 0 0 "[ . 1 ]" 1
445 1 59 ALA HA 1 60 ALA MB . . 4.500 4.002 3.776 4.209 . 0 0 "[ . 1 ]" 1
446 1 59 ALA HA 1 61 GLY H . . 4.500 5.073 4.744 5.366 0.866 7 7 "[ * * +**-*]" 1
447 1 59 ALA HA 1 73 PHE HA . . 4.500 3.940 3.083 4.842 0.342 9 0 "[ . 1 ]" 1
448 1 59 ALA MB 1 60 ALA H . . 3.500 2.213 2.184 2.245 . 0 0 "[ . 1 ]" 1
449 1 59 ALA MB 1 60 ALA HA . . 4.500 4.127 3.909 4.260 . 0 0 "[ . 1 ]" 1
450 1 59 ALA MB 1 61 GLY H . . 3.500 3.108 2.749 3.459 . 0 0 "[ . 1 ]" 1
451 1 59 ALA MB 1 62 VAL HB . . 4.500 4.384 4.175 4.630 0.130 10 0 "[ . 1 ]" 1
452 1 59 ALA MB 1 62 VAL QG . . 5.060 2.143 2.031 2.393 . 0 0 "[ . 1 ]" 1
453 1 59 ALA MB 1 72 ILE H . . 5.500 2.886 2.459 3.745 . 0 0 "[ . 1 ]" 1
454 1 59 ALA MB 1 73 PHE H . . 6.400 4.186 3.798 4.932 . 0 0 "[ . 1 ]" 1
455 1 59 ALA MB 1 73 PHE HA . . 5.400 3.623 3.215 4.192 . 0 0 "[ . 1 ]" 1
456 1 60 ALA H 1 60 ALA HA . . 2.800 2.961 2.889 3.013 0.213 1 0 "[ . 1 ]" 1
457 1 60 ALA H 1 60 ALA MB . . 3.500 2.767 2.562 2.976 . 0 0 "[ . 1 ]" 1
458 1 60 ALA H 1 61 GLY H . . 3.500 2.688 2.557 3.032 . 0 0 "[ . 1 ]" 1
459 1 60 ALA H 1 61 GLY QA . . 5.500 4.056 3.912 4.209 . 0 0 "[ . 1 ]" 1
460 1 60 ALA H 1 72 ILE HB . . 5.500 5.179 4.736 5.632 0.132 9 0 "[ . 1 ]" 1
461 1 60 ALA H 1 72 ILE MG . . 5.500 4.004 3.379 4.395 . 0 0 "[ . 1 ]" 1
462 1 60 ALA H 1 73 PHE HA . . 5.500 2.334 2.236 2.610 . 0 0 "[ . 1 ]" 1
463 1 60 ALA H 1 73 PHE QB . . 5.500 3.164 2.269 3.771 . 0 0 "[ . 1 ]" 1
464 1 60 ALA H 1 80 LEU QD . . 6.700 4.323 3.498 5.086 . 0 0 "[ . 1 ]" 1
465 1 60 ALA HA 1 61 GLY H . . 2.500 2.732 2.541 2.926 0.426 1 0 "[ . 1 ]" 1
466 1 60 ALA HA 1 73 PHE HA . . 2.500 4.108 3.966 4.270 1.770 6 11 [**-**+*****] 1
467 1 60 ALA MB 1 61 GLY H . . 4.500 3.807 3.768 3.864 . 0 0 "[ . 1 ]" 1
468 1 60 ALA MB 1 72 ILE H . . 5.500 5.317 4.797 5.962 0.462 9 0 "[ . 1 ]" 1
469 1 60 ALA MB 1 72 ILE MG . . 5.500 3.833 3.141 4.640 . 0 0 "[ . 1 ]" 1
470 1 61 GLY H 1 62 VAL QG . . 6.700 2.586 2.389 2.771 . 0 0 "[ . 1 ]" 1
471 1 61 GLY H 1 71 ALA MB . . 6.700 5.135 4.851 5.379 . 0 0 "[ . 1 ]" 1
472 1 61 GLY H 1 72 ILE H . . 3.500 3.797 3.630 4.067 0.567 9 1 "[ . +1 ]" 1
473 1 61 GLY H 1 72 ILE HB . . 4.500 5.389 5.170 5.738 1.238 10 11 [*-*******+*] 1
474 1 61 GLY H 1 72 ILE O . . 2.300 3.322 2.976 3.584 1.284 11 11 [******-***+] 1
475 1 61 GLY H 1 73 PHE HA . . 3.500 4.593 4.217 4.851 1.351 1 11 [+*****-****] 1
476 1 61 GLY QA 1 62 VAL H . . 3.500 2.387 2.290 2.505 . 0 0 "[ . 1 ]" 1
477 1 61 GLY QA 1 62 VAL QG . . 5.500 3.451 3.319 3.590 . 0 0 "[ . 1 ]" 1
478 1 61 GLY QA 1 72 ILE MD . . 6.700 5.258 4.928 5.647 . 0 0 "[ . 1 ]" 1
479 1 61 GLY QA 1 72 ILE MG . . 5.500 3.003 2.336 3.832 . 0 0 "[ . 1 ]" 1
480 1 61 GLY N 1 72 ILE O . 2.700 3.300 3.098 2.786 3.358 0.058 10 0 "[ . 1 ]" 1
481 1 61 GLY O 1 72 ILE H . . 2.300 2.042 1.784 2.397 0.097 3 0 "[ . 1 ]" 1
482 1 61 GLY O 1 72 ILE N . 2.700 3.300 2.813 2.676 3.081 0.024 4 0 "[ . 1 ]" 1
483 1 62 VAL HA 1 62 VAL HB . . 2.800 2.417 2.377 2.454 . 0 0 "[ . 1 ]" 1
484 1 62 VAL HA 1 63 VAL H . . 2.500 2.509 2.426 2.575 0.075 11 0 "[ . 1 ]" 1
485 1 62 VAL HA 1 63 VAL QG . . 6.700 2.892 2.746 3.035 . 0 0 "[ . 1 ]" 1
486 1 62 VAL HA 1 71 ALA HA . . 2.500 2.231 2.167 2.327 . 0 0 "[ . 1 ]" 1
487 1 62 VAL HA 1 72 ILE H . . 3.500 3.015 2.407 3.525 0.025 10 0 "[ . 1 ]" 1
488 1 62 VAL HB 1 64 VAL QG . . 6.700 4.343 4.195 4.462 . 0 0 "[ . 1 ]" 1
489 1 62 VAL HB 1 70 GLN QG . . 5.500 5.157 4.571 6.197 0.697 10 1 "[ . + ]" 1
490 1 62 VAL HB 1 72 ILE MD . . 6.700 5.500 4.886 6.661 . 0 0 "[ . 1 ]" 1
491 1 62 VAL QG 1 63 VAL H . . 6.700 2.606 2.425 2.814 . 0 0 "[ . 1 ]" 1
492 1 62 VAL QG 1 63 VAL QG . . 6.700 3.648 3.594 3.713 . 0 0 "[ . 1 ]" 1
493 1 62 VAL QG 1 69 VAL QG . . 6.700 2.770 2.584 2.987 . 0 0 "[ . 1 ]" 1
494 1 62 VAL QG 1 70 GLN QG . . 7.200 4.891 4.436 5.864 . 0 0 "[ . 1 ]" 1
495 1 62 VAL QG 1 71 ALA HA . . 6.700 2.154 2.129 2.223 . 0 0 "[ . 1 ]" 1
496 1 62 VAL QG 1 71 ALA MB . . 6.700 2.105 1.967 2.408 . 0 0 "[ . 1 ]" 1
497 1 62 VAL QG 1 72 ILE HB . . 6.700 4.538 4.364 4.817 . 0 0 "[ . 1 ]" 1
498 1 62 VAL MG1 1 71 ALA MB . . 5.500 2.118 1.982 2.433 . 0 0 "[ . 1 ]" 1
499 1 63 VAL H 1 63 VAL HB . . 3.500 3.882 3.774 3.955 0.455 9 0 "[ . 1 ]" 1
500 1 63 VAL H 1 63 VAL QG . . 4.000 2.319 2.269 2.368 . 0 0 "[ . 1 ]" 1
501 1 63 VAL H 1 70 GLN H . . 3.500 2.681 2.413 3.243 . 0 0 "[ . 1 ]" 1
502 1 63 VAL H 1 70 GLN QB . . 5.500 3.448 3.079 3.791 . 0 0 "[ . 1 ]" 1
503 1 63 VAL H 1 70 GLN O . . 2.300 2.016 1.793 2.661 0.361 8 0 "[ . 1 ]" 1
504 1 63 VAL H 1 71 ALA HA . . 3.500 3.619 3.363 3.818 0.318 11 0 "[ . 1 ]" 1
505 1 63 VAL HA 1 63 VAL HB . . 2.500 2.277 2.260 2.292 . 0 0 "[ . 1 ]" 1
506 1 63 VAL HA 1 64 VAL H . . 2.500 2.331 2.266 2.429 . 0 0 "[ . 1 ]" 1
507 1 63 VAL HA 1 64 VAL HB . . 4.500 4.670 4.565 4.786 0.286 2 0 "[ . 1 ]" 1
508 1 63 VAL HB 1 70 GLN QB . . 5.500 4.851 4.419 5.392 . 0 0 "[ . 1 ]" 1
509 1 63 VAL QG 1 64 VAL H . . 6.700 2.838 2.631 3.010 . 0 0 "[ . 1 ]" 1
510 1 63 VAL QG 1 64 VAL HA . . 6.700 3.659 3.495 3.805 . 0 0 "[ . 1 ]" 1
511 1 63 VAL QG 1 65 ALA HA . . 6.700 4.383 4.218 4.564 . 0 0 "[ . 1 ]" 1
512 1 63 VAL QG 1 65 ALA MB . . 6.700 2.801 2.640 2.974 . 0 0 "[ . 1 ]" 1
513 1 63 VAL N 1 70 GLN O . 2.700 3.300 2.956 2.665 3.633 0.333 8 0 "[ . 1 ]" 1
514 1 63 VAL O 1 70 GLN H . . 2.300 1.979 1.839 2.368 0.068 5 0 "[ . 1 ]" 1
515 1 63 VAL O 1 70 GLN N . 2.700 3.300 2.900 2.803 3.040 . 0 0 "[ . 1 ]" 1
516 1 64 VAL H 1 64 VAL HB . . 3.500 2.584 2.479 2.843 . 0 0 "[ . 1 ]" 1
517 1 64 VAL HA 1 65 ALA H . . 2.500 2.319 2.290 2.350 . 0 0 "[ . 1 ]" 1
518 1 64 VAL HA 1 69 VAL HA . . 2.500 2.562 2.478 2.676 0.176 11 0 "[ . 1 ]" 1
519 1 64 VAL HA 1 70 GLN H . . 3.500 3.732 3.548 3.879 0.379 2 0 "[ . 1 ]" 1
520 1 64 VAL QG 1 65 ALA H . . 6.700 2.838 2.585 3.433 . 0 0 "[ . 1 ]" 1
521 1 64 VAL QG 1 65 ALA HA . . 6.700 3.830 3.597 4.303 . 0 0 "[ . 1 ]" 1
522 1 64 VAL QG 1 66 GLY QA . . 6.700 3.825 3.676 3.915 . 0 0 "[ . 1 ]" 1
523 1 64 VAL QG 1 69 VAL HA . . 6.700 3.631 3.535 3.733 . 0 0 "[ . 1 ]" 1
524 1 64 VAL QG 1 69 VAL QG . . 6.700 1.942 1.893 2.014 . 0 0 "[ . 1 ]" 1
525 1 65 ALA H 1 65 ALA HA . . 2.800 3.012 2.993 3.026 0.226 10 0 "[ . 1 ]" 1
526 1 65 ALA H 1 65 ALA MB . . 3.500 2.528 2.341 2.612 . 0 0 "[ . 1 ]" 1
527 1 65 ALA H 1 68 GLY H . . 3.500 3.472 3.361 3.614 0.114 2 0 "[ . 1 ]" 1
528 1 65 ALA H 1 68 GLY O . . 2.300 1.996 1.922 2.086 . 0 0 "[ . 1 ]" 1
529 1 65 ALA H 1 69 VAL HA . . 3.500 2.774 2.672 2.882 . 0 0 "[ . 1 ]" 1
530 1 65 ALA N 1 68 GLY O . 2.700 3.300 2.875 2.802 2.924 . 0 0 "[ . 1 ]" 1
531 1 65 ALA O 1 68 GLY H . . 2.300 1.783 1.662 1.858 0.138 10 0 "[ . 1 ]" 1
532 1 65 ALA O 1 68 GLY N . 2.700 3.300 2.668 2.584 2.730 0.116 5 0 "[ . 1 ]" 1
533 1 66 GLY QA 1 67 SER HA . . 4.500 4.246 4.230 4.265 . 0 0 "[ . 1 ]" 1
534 1 67 SER H 1 68 GLY H . . 4.500 2.506 2.427 2.599 . 0 0 "[ . 1 ]" 1
535 1 67 SER H 1 69 VAL HA . . 5.500 6.651 6.331 6.838 1.338 8 11 [*-*****+***] 1
536 1 67 SER HA 1 68 GLY H . . 3.500 3.597 3.570 3.640 0.140 2 0 "[ . 1 ]" 1
537 1 67 SER HA 1 68 GLY QA . . 4.500 4.195 4.150 4.255 . 0 0 "[ . 1 ]" 1
538 1 68 GLY QA 1 69 VAL H . . 3.000 2.360 2.322 2.391 . 0 0 "[ . 1 ]" 1
539 1 69 VAL H 1 69 VAL HA . . 2.800 2.981 2.945 3.000 0.200 4 0 "[ . 1 ]" 1
540 1 69 VAL H 1 69 VAL HB . . 2.800 2.825 2.577 3.004 0.204 5 0 "[ . 1 ]" 1
541 1 69 VAL HA 1 69 VAL HB . . 2.800 3.054 3.022 3.084 0.284 8 0 "[ . 1 ]" 1
542 1 69 VAL HA 1 70 GLN H . . 2.500 2.364 2.273 2.433 . 0 0 "[ . 1 ]" 1
543 1 69 VAL HB 1 71 ALA MB . . 5.500 4.996 4.764 5.326 . 0 0 "[ . 1 ]" 1
544 1 69 VAL QG 1 70 GLN H . . 6.700 2.554 2.226 3.038 . 0 0 "[ . 1 ]" 1
545 1 70 GLN H 1 70 GLN QG . . 4.400 3.121 2.255 3.980 . 0 0 "[ . 1 ]" 1
546 1 70 GLN HA 1 71 ALA H . . 2.500 2.464 2.268 2.669 0.169 8 0 "[ . 1 ]" 1
547 1 70 GLN HA 1 71 ALA MB . . 4.500 3.906 3.767 3.993 . 0 0 "[ . 1 ]" 1
548 1 71 ALA H 1 71 ALA MB . . 3.500 2.662 2.224 3.021 . 0 0 "[ . 1 ]" 1
549 1 71 ALA H 1 72 ILE HB . . 5.500 4.910 4.200 5.383 . 0 0 "[ . 1 ]" 1
550 1 71 ALA HA 1 72 ILE H . . 2.500 2.311 2.235 2.387 . 0 0 "[ . 1 ]" 1
551 1 71 ALA MB 1 72 ILE HA . . 4.500 4.230 4.084 4.374 . 0 0 "[ . 1 ]" 1
552 1 72 ILE H 1 72 ILE HB . . 3.500 2.646 2.377 3.044 . 0 0 "[ . 1 ]" 1
553 1 72 ILE H 1 72 ILE MD . . 4.500 3.579 3.143 4.373 . 0 0 "[ . 1 ]" 1
554 1 72 ILE HA 1 72 ILE MD . . 4.500 2.932 2.569 3.272 . 0 0 "[ . 1 ]" 1
555 1 72 ILE HA 1 73 PHE H . . 2.500 2.349 2.234 2.491 . 0 0 "[ . 1 ]" 1
556 1 72 ILE HB 1 72 ILE MD . . 3.500 2.305 2.179 2.391 . 0 0 "[ . 1 ]" 1
557 1 72 ILE QG 1 73 PHE H . . 4.500 3.416 2.685 3.912 . 0 0 "[ . 1 ]" 1
558 1 72 ILE QG 1 74 GLY H . . 4.500 4.304 3.067 5.015 0.515 8 1 "[ . + 1 ]" 1
559 1 72 ILE MG 1 73 PHE H . . 4.500 2.847 2.356 3.466 . 0 0 "[ . 1 ]" 1
560 1 72 ILE MG 1 74 GLY H . . 5.500 2.363 2.062 3.192 . 0 0 "[ . 1 ]" 1
561 1 73 PHE H 1 73 PHE QB . . 3.500 3.026 2.506 3.278 . 0 0 "[ . 1 ]" 1
562 1 73 PHE H 1 74 GLY H . . 2.800 2.790 2.289 3.489 0.689 8 2 "[ - . + 1 ]" 1
563 1 73 PHE QB 1 80 LEU H . . 6.500 5.053 4.499 6.172 . 0 0 "[ . 1 ]" 1
564 1 73 PHE QB 1 81 LYS QB . . 6.700 5.702 4.969 6.241 . 0 0 "[ . 1 ]" 1
565 1 74 GLY QA 1 76 LYS H . . 5.500 3.990 3.085 5.173 . 0 0 "[ . 1 ]" 1
566 1 76 LYS H 1 76 LYS HA . . 2.800 2.832 2.273 3.030 0.230 1 0 "[ . 1 ]" 1
567 1 76 LYS H 1 76 LYS QD . . 4.500 3.363 2.272 4.223 . 0 0 "[ . 1 ]" 1
568 1 76 LYS H 1 77 SER H . . 3.500 3.002 2.457 3.848 0.348 6 0 "[ . 1 ]" 1
569 1 76 LYS HA 1 79 ASN H . . 3.500 3.300 3.029 3.685 0.185 5 0 "[ . 1 ]" 1
570 1 76 LYS HA 1 79 ASN QB . . 3.500 3.549 3.315 3.942 0.442 10 0 "[ . 1 ]" 1
571 1 76 LYS QB 1 79 ASN QB . . 6.700 2.667 2.061 3.883 . 0 0 "[ . 1 ]" 1
572 1 76 LYS QG 1 77 SER H . . 5.500 4.543 2.635 5.260 . 0 0 "[ . 1 ]" 1
573 1 76 LYS QG 1 78 ASP H . . 6.500 5.387 4.573 5.964 . 0 0 "[ . 1 ]" 1
574 1 76 LYS O 1 80 LEU H . . 2.300 2.177 1.898 2.405 0.105 11 0 "[ . 1 ]" 1
575 1 76 LYS O 1 80 LEU N . 2.700 3.300 3.123 2.889 3.345 0.045 7 0 "[ . 1 ]" 1
576 1 77 SER H 1 77 SER HA . . 2.800 2.764 2.605 2.957 0.157 8 0 "[ . 1 ]" 1
577 1 77 SER H 1 77 SER QB . . 3.700 2.521 2.240 3.081 . 0 0 "[ . 1 ]" 1
578 1 77 SER H 1 78 ASP H . . 4.500 2.990 2.418 3.373 . 0 0 "[ . 1 ]" 1
579 1 77 SER HA 1 78 ASP H . . 3.500 3.675 3.655 3.708 0.208 9 0 "[ . 1 ]" 1
580 1 77 SER HA 1 80 LEU H . . 3.500 3.396 3.070 3.635 0.135 10 0 "[ . 1 ]" 1
581 1 77 SER HA 1 80 LEU QB . . 3.500 2.734 2.426 3.200 . 0 0 "[ . 1 ]" 1
582 1 77 SER O 1 81 LYS H . . 2.300 1.728 1.578 1.820 0.222 9 0 "[ . 1 ]" 1
583 1 77 SER O 1 81 LYS N . 2.700 3.300 2.656 2.547 2.762 0.153 9 0 "[ . 1 ]" 1
584 1 78 ASP H 1 78 ASP HA . . 2.800 2.821 2.769 2.878 0.078 2 0 "[ . 1 ]" 1
585 1 78 ASP H 1 78 ASP QB . . 3.500 2.476 2.261 2.622 . 0 0 "[ . 1 ]" 1
586 1 78 ASP H 1 79 ASN H . . 2.800 2.881 2.733 3.112 0.312 9 0 "[ . 1 ]" 1
587 1 78 ASP HA 1 79 ASN H . . 3.500 3.659 3.640 3.690 0.190 9 0 "[ . 1 ]" 1
588 1 78 ASP HA 1 81 LYS H . . 3.500 3.653 3.260 3.954 0.454 3 0 "[ . 1 ]" 1
589 1 78 ASP HA 1 81 LYS QB . . 3.500 2.592 2.438 2.938 . 0 0 "[ . 1 ]" 1
590 1 78 ASP QB 1 79 ASN H . . 3.500 2.625 2.479 2.748 . 0 0 "[ . 1 ]" 1
591 1 78 ASP O 1 82 THR H . . 2.300 1.956 1.767 2.272 0.033 9 0 "[ . 1 ]" 1
592 1 78 ASP O 1 82 THR N . 2.700 3.300 2.838 2.692 3.175 0.008 5 0 "[ . 1 ]" 1
593 1 79 ASN H 1 79 ASN HA . . 2.800 2.855 2.803 2.899 0.099 10 0 "[ . 1 ]" 1
594 1 79 ASN H 1 79 ASN QB . . 3.700 2.293 2.276 2.323 . 0 0 "[ . 1 ]" 1
595 1 79 ASN H 1 80 LEU H . . 3.500 2.753 2.550 2.866 . 0 0 "[ . 1 ]" 1
596 1 79 ASN HA 1 80 LEU H . . 3.500 3.643 3.599 3.664 0.164 3 0 "[ . 1 ]" 1
597 1 79 ASN HA 1 82 THR H . . 4.500 3.487 3.210 3.813 . 0 0 "[ . 1 ]" 1
598 1 79 ASN HA 1 82 THR HB . . 4.500 3.044 2.437 4.870 0.370 8 0 "[ . 1 ]" 1
599 1 79 ASN QB 1 80 LEU H . . 4.500 2.588 2.451 2.844 . 0 0 "[ . 1 ]" 1
600 1 79 ASN O 1 83 GLU H . . 2.300 2.296 2.086 2.620 0.320 7 0 "[ . 1 ]" 1
601 1 79 ASN O 1 83 GLU N . 2.700 3.300 3.229 2.999 3.527 0.227 7 0 "[ . 1 ]" 1
602 1 80 LEU H 1 80 LEU HA . . 2.800 2.909 2.828 2.939 0.139 2 0 "[ . 1 ]" 1
603 1 80 LEU H 1 80 LEU HG . . 3.500 3.769 2.316 4.197 0.697 9 2 "[ . - +1 ]" 1
604 1 80 LEU H 1 81 LYS H . . 2.800 2.662 2.524 2.872 0.072 4 0 "[ . 1 ]" 1
605 1 80 LEU HA 1 81 LYS H . . 3.500 3.633 3.588 3.668 0.168 11 0 "[ . 1 ]" 1
606 1 80 LEU HA 1 83 GLU H . . 4.500 3.353 2.876 3.920 . 0 0 "[ . 1 ]" 1
607 1 80 LEU HA 1 83 GLU QB . . 5.500 3.468 2.736 4.332 . 0 0 "[ . 1 ]" 1
608 1 80 LEU QB 1 81 LYS H . . 4.000 2.658 2.373 3.027 . 0 0 "[ . 1 ]" 1
609 1 80 LEU QD 1 84 MET QG . . 6.700 3.748 2.174 4.594 . 0 0 "[ . 1 ]" 1
610 1 80 LEU O 1 84 MET H . . 2.300 2.008 1.689 2.670 0.370 10 0 "[ . 1 ]" 1
611 1 80 LEU O 1 84 MET N . 2.700 3.300 2.926 2.594 3.521 0.221 10 0 "[ . 1 ]" 1
612 1 81 LYS H 1 81 LYS HA . . 2.800 2.801 2.691 2.930 0.130 6 0 "[ . 1 ]" 1
613 1 81 LYS H 1 81 LYS QB . . 3.500 2.322 2.194 2.541 . 0 0 "[ . 1 ]" 1
614 1 81 LYS H 1 82 THR H . . 2.800 2.852 2.458 3.158 0.358 4 0 "[ . 1 ]" 1
615 1 81 LYS HA 1 81 LYS QG . . 3.500 2.395 2.251 2.770 . 0 0 "[ . 1 ]" 1
616 1 81 LYS HA 1 82 THR H . . 3.500 3.647 3.587 3.688 0.188 11 0 "[ . 1 ]" 1
617 1 81 LYS HA 1 84 MET H . . 3.500 3.121 2.919 3.349 . 0 0 "[ . 1 ]" 1
618 1 81 LYS HA 1 84 MET QB . . 4.500 2.482 2.270 2.824 . 0 0 "[ . 1 ]" 1
619 1 81 LYS QB 1 82 THR H . . 4.500 2.830 2.690 3.029 . 0 0 "[ . 1 ]" 1
620 1 81 LYS QB 1 85 ASP QB . . 6.000 4.485 3.861 5.315 . 0 0 "[ . 1 ]" 1
621 1 81 LYS QE 1 82 THR H . . 5.500 4.650 3.437 5.270 . 0 0 "[ . 1 ]" 1
622 1 81 LYS O 1 85 ASP H . . 2.300 1.766 1.684 1.994 0.116 11 0 "[ . 1 ]" 1
623 1 81 LYS O 1 85 ASP N . 2.700 3.300 2.717 2.577 2.950 0.123 3 0 "[ . 1 ]" 1
624 1 82 THR H 1 82 THR HA . . 2.800 2.860 2.784 2.898 0.098 9 0 "[ . 1 ]" 1
625 1 82 THR H 1 82 THR HB . . 3.500 2.621 2.339 3.665 0.165 8 0 "[ . 1 ]" 1
626 1 82 THR H 1 82 THR MG . . 4.500 3.528 2.317 3.811 . 0 0 "[ . 1 ]" 1
627 1 82 THR H 1 83 GLU H . . 2.800 2.861 2.652 3.056 0.256 10 0 "[ . 1 ]" 1
628 1 82 THR HA 1 82 THR MG . . 3.500 2.605 2.435 2.746 . 0 0 "[ . 1 ]" 1
629 1 82 THR HA 1 83 GLU H . . 3.500 3.677 3.641 3.701 0.201 2 0 "[ . 1 ]" 1
630 1 82 THR HA 1 85 ASP H . . 3.500 3.264 3.061 3.436 . 0 0 "[ . 1 ]" 1
631 1 82 THR HA 1 85 ASP QB . . 4.500 2.615 2.391 2.856 . 0 0 "[ . 1 ]" 1
632 1 82 THR HB 1 83 GLU H . . 3.500 2.879 2.394 3.468 . 0 0 "[ . 1 ]" 1
633 1 82 THR MG 1 83 GLU H . . 4.500 3.166 2.657 3.950 . 0 0 "[ . 1 ]" 1
634 1 82 THR MG 1 83 GLU QB . . 6.700 4.321 3.570 5.362 . 0 0 "[ . 1 ]" 1
635 1 82 THR MG 1 84 MET H . . 6.000 4.924 4.732 5.251 . 0 0 "[ . 1 ]" 1
636 1 82 THR MG 1 85 ASP QB . . 6.700 3.679 3.224 4.446 . 0 0 "[ . 1 ]" 1
637 1 82 THR O 1 86 GLU H . . 2.300 2.119 1.971 2.393 0.093 9 0 "[ . 1 ]" 1
638 1 82 THR O 1 86 GLU N . 2.700 3.300 3.079 2.963 3.366 0.066 9 0 "[ . 1 ]" 1
639 1 83 GLU H 1 83 GLU HA . . 2.800 2.835 2.787 2.901 0.101 11 0 "[ . 1 ]" 1
640 1 83 GLU H 1 83 GLU QB . . 3.500 2.483 2.300 2.636 . 0 0 "[ . 1 ]" 1
641 1 83 GLU H 1 83 GLU HG2 . . 3.500 2.559 2.226 3.443 . 0 0 "[ . 1 ]" 1
642 1 83 GLU H 1 84 MET H . . 2.800 2.832 2.643 3.043 0.243 8 0 "[ . 1 ]" 1
643 1 83 GLU HA 1 84 MET H . . 3.500 3.663 3.618 3.710 0.210 6 0 "[ . 1 ]" 1
644 1 83 GLU HA 1 84 MET QG . . 5.500 5.433 5.258 5.659 0.159 6 0 "[ . 1 ]" 1
645 1 83 GLU HA 1 86 GLU H . . 4.500 3.372 3.098 3.868 . 0 0 "[ . 1 ]" 1
646 1 83 GLU HA 1 86 GLU QB . . 4.500 2.757 2.429 3.147 . 0 0 "[ . 1 ]" 1
647 1 83 GLU QB 1 87 TYR H . . 5.500 4.965 4.804 5.231 . 0 0 "[ . 1 ]" 1
648 1 83 GLU O 1 87 TYR H . . 2.300 2.261 2.054 2.636 0.336 11 0 "[ . 1 ]" 1
649 1 83 GLU O 1 87 TYR N . 2.700 3.300 3.183 3.026 3.493 0.193 11 0 "[ . 1 ]" 1
650 1 84 MET H 1 84 MET HA . . 2.800 2.856 2.810 2.899 0.099 10 0 "[ . 1 ]" 1
651 1 84 MET H 1 84 MET QB . . 3.700 2.602 2.446 2.697 . 0 0 "[ . 1 ]" 1
652 1 84 MET H 1 85 ASP H . . 2.800 2.707 2.597 2.870 0.070 9 0 "[ . 1 ]" 1
653 1 84 MET H 1 85 ASP QB . . 5.000 4.493 4.310 4.637 . 0 0 "[ . 1 ]" 1
654 1 84 MET HA 1 85 ASP H . . 3.500 3.667 3.643 3.701 0.201 7 0 "[ . 1 ]" 1
655 1 84 MET HA 1 85 ASP QB . . 6.000 5.327 5.269 5.355 . 0 0 "[ . 1 ]" 1
656 1 84 MET HA 1 87 TYR H . . 3.500 3.092 2.916 3.290 . 0 0 "[ . 1 ]" 1
657 1 84 MET HA 1 87 TYR QB . . 4.500 2.774 2.196 3.506 . 0 0 "[ . 1 ]" 1
658 1 84 MET HA 1 88 ILE MD . . 4.500 4.082 3.804 4.196 . 0 0 "[ . 1 ]" 1
659 1 84 MET QB 1 85 ASP H . . 4.500 2.623 2.437 2.783 . 0 0 "[ . 1 ]" 1
660 1 84 MET O 1 88 ILE H . . 2.300 2.317 1.892 2.617 0.317 11 0 "[ . 1 ]" 1
661 1 84 MET O 1 88 ILE N . 2.700 3.300 3.248 2.833 3.524 0.224 1 0 "[ . 1 ]" 1
662 1 85 ASP H 1 85 ASP HA . . 2.800 2.751 2.705 2.782 . 0 0 "[ . 1 ]" 1
663 1 85 ASP H 1 85 ASP QB . . 3.700 2.330 2.285 2.355 . 0 0 "[ . 1 ]" 1
664 1 85 ASP H 1 86 GLU H . . 2.800 2.965 2.789 3.117 0.317 9 0 "[ . 1 ]" 1
665 1 85 ASP H 1 88 ILE MD . . 6.700 3.881 3.623 4.058 . 0 0 "[ . 1 ]" 1
666 1 85 ASP HA 1 86 GLU H . . 3.500 3.662 3.632 3.690 0.190 2 0 "[ . 1 ]" 1
667 1 85 ASP HA 1 86 GLU QB . . 6.500 5.484 5.405 5.592 . 0 0 "[ . 1 ]" 1
668 1 85 ASP HA 1 88 ILE H . . 3.500 3.703 3.606 3.757 0.257 4 0 "[ . 1 ]" 1
669 1 85 ASP HA 1 88 ILE HB . . 3.500 3.873 3.690 4.032 0.532 3 1 "[ + . 1 ]" 1
670 1 85 ASP HA 1 88 ILE MD . . 6.700 2.218 2.157 2.284 . 0 0 "[ . 1 ]" 1
671 1 85 ASP QB 1 86 GLU H . . 4.500 2.521 2.391 2.622 . 0 0 "[ . 1 ]" 1
672 1 85 ASP QB 1 88 ILE MD . . 6.700 3.979 3.868 4.053 . 0 0 "[ . 1 ]" 1
673 1 85 ASP O 1 89 ARG H . . 2.300 2.048 1.963 2.152 . 0 0 "[ . 1 ]" 1
674 1 85 ASP O 1 89 ARG N . 2.700 3.300 3.044 2.965 3.137 . 0 0 "[ . 1 ]" 1
675 1 86 GLU H 1 86 GLU HA . . 2.800 2.800 2.773 2.835 0.035 4 0 "[ . 1 ]" 1
676 1 86 GLU H 1 86 GLU QG . . 3.500 2.889 2.640 3.352 . 0 0 "[ . 1 ]" 1
677 1 86 GLU H 1 87 TYR H . . 2.800 2.977 2.839 3.106 0.306 7 0 "[ . 1 ]" 1
678 1 86 GLU H 1 88 ILE MD . . 4.500 4.709 4.479 4.798 0.298 9 0 "[ . 1 ]" 1
679 1 86 GLU HA 1 87 TYR H . . 3.500 3.669 3.645 3.690 0.190 3 0 "[ . 1 ]" 1
680 1 86 GLU HA 1 89 ARG H . . 3.500 3.537 3.441 3.763 0.263 9 0 "[ . 1 ]" 1
681 1 86 GLU HA 1 89 ARG QB . . 3.500 2.520 2.343 2.688 . 0 0 "[ . 1 ]" 1
682 1 86 GLU QB 1 89 ARG QB . . 6.000 4.313 4.049 4.603 . 0 0 "[ . 1 ]" 1
683 1 86 GLU O 1 90 ASN H . . 2.300 1.740 1.709 1.786 0.091 3 0 "[ . 1 ]" 1
684 1 86 GLU O 1 90 ASN N . 2.700 3.300 2.589 2.557 2.622 0.143 6 0 "[ . 1 ]" 1
685 1 87 TYR H 1 87 TYR HA . . 2.800 2.786 2.730 2.856 0.056 8 0 "[ . 1 ]" 1
686 1 87 TYR H 1 87 TYR QB . . 3.500 2.422 2.219 2.722 . 0 0 "[ . 1 ]" 1
687 1 87 TYR H 1 88 ILE H . . 2.800 3.035 2.827 3.242 0.442 3 0 "[ . 1 ]" 1
688 1 87 TYR H 1 89 ARG H . . 4.500 4.369 4.078 4.582 0.082 9 0 "[ . 1 ]" 1
689 1 87 TYR HA 1 88 ILE MD . . 6.500 5.377 5.251 5.662 . 0 0 "[ . 1 ]" 1
690 1 87 TYR HA 1 90 ASN H . . 3.500 3.361 3.145 3.592 0.092 11 0 "[ . 1 ]" 1
691 1 87 TYR HA 1 90 ASN QB . . 4.500 2.441 2.283 2.587 . 0 0 "[ . 1 ]" 1
692 1 87 TYR HA 1 91 PHE H . . 4.500 4.269 4.132 4.511 0.011 4 0 "[ . 1 ]" 1
693 1 87 TYR QB 1 88 ILE H . . 3.500 2.652 2.392 3.306 . 0 0 "[ . 1 ]" 1
694 1 87 TYR QB 1 91 PHE QB . . 6.700 4.254 3.783 4.733 . 0 0 "[ . 1 ]" 1
695 1 87 TYR O 1 91 PHE H . . 2.300 2.040 1.880 2.293 . 0 0 "[ . 1 ]" 1
696 1 87 TYR O 1 91 PHE N . 2.700 3.300 2.752 2.604 2.968 0.096 10 0 "[ . 1 ]" 1
697 1 88 ILE H 1 88 ILE HA . . 2.800 2.875 2.829 2.910 0.110 6 0 "[ . 1 ]" 1
698 1 88 ILE H 1 88 ILE HB . . 3.500 2.800 2.710 2.892 . 0 0 "[ . 1 ]" 1
699 1 88 ILE H 1 88 ILE MD . . 5.500 2.259 2.210 2.455 . 0 0 "[ . 1 ]" 1
700 1 88 ILE H 1 89 ARG H . . 3.500 2.656 2.538 2.839 . 0 0 "[ . 1 ]" 1
701 1 88 ILE HA 1 88 ILE MD . . 4.500 3.833 3.792 3.907 . 0 0 "[ . 1 ]" 1
702 1 88 ILE HA 1 91 PHE H . . 3.500 3.082 3.012 3.163 . 0 0 "[ . 1 ]" 1
703 1 88 ILE HA 1 91 PHE QB . . 3.500 3.267 3.211 3.353 . 0 0 "[ . 1 ]" 1
704 1 88 ILE HB 1 88 ILE MD . . 3.500 2.252 2.222 2.293 . 0 0 "[ . 1 ]" 1
705 1 88 ILE HB 1 89 ARG H . . 3.500 2.718 2.646 2.814 . 0 0 "[ . 1 ]" 1
706 1 88 ILE HB 1 89 ARG QD . . 5.500 5.112 4.904 5.363 . 0 0 "[ . 1 ]" 1
707 1 88 ILE MD 1 89 ARG H . . 5.500 3.613 3.482 3.761 . 0 0 "[ . 1 ]" 1
708 1 88 ILE MD 1 89 ARG HA . . 6.000 5.592 5.511 5.716 . 0 0 "[ . 1 ]" 1
709 1 88 ILE MD 1 89 ARG QB . . 6.500 5.264 5.084 5.506 . 0 0 "[ . 1 ]" 1
710 1 88 ILE MG 1 89 ARG QG . . 5.500 4.054 3.966 4.198 . 0 0 "[ . 1 ]" 1
711 1 88 ILE O 1 92 GLY H . . 2.300 2.726 2.542 2.829 0.529 3 1 "[ + . 1 ]" 1
712 1 88 ILE O 1 92 GLY N . 2.700 3.300 2.723 2.669 2.797 0.031 1 0 "[ . 1 ]" 1
713 1 89 ARG H 1 89 ARG HA . . 2.800 2.869 2.854 2.899 0.099 1 0 "[ . 1 ]" 1
714 1 89 ARG H 1 89 ARG QB . . 3.500 2.502 2.374 2.642 . 0 0 "[ . 1 ]" 1
715 1 89 ARG H 1 90 ASN H . . 3.500 2.694 2.622 2.755 . 0 0 "[ . 1 ]" 1
716 1 89 ARG HA 1 89 ARG QD . . 4.500 3.720 3.102 4.174 . 0 0 "[ . 1 ]" 1
717 1 89 ARG HA 1 89 ARG QG . . 3.500 2.461 2.370 2.542 . 0 0 "[ . 1 ]" 1
718 1 89 ARG HA 1 90 ASN H . . 3.500 3.589 3.567 3.606 0.106 7 0 "[ . 1 ]" 1
719 1 89 ARG QB 1 90 ASN H . . 4.500 2.893 2.812 2.990 . 0 0 "[ . 1 ]" 1
720 1 90 ASN H 1 90 ASN HA . . 2.800 2.924 2.913 2.939 0.139 3 0 "[ . 1 ]" 1
721 1 90 ASN H 1 90 ASN QB . . 2.800 2.271 2.243 2.295 . 0 0 "[ . 1 ]" 1
722 1 91 PHE H 1 91 PHE HA . . 2.800 3.012 3.006 3.022 0.222 4 0 "[ . 1 ]" 1
723 1 91 PHE HA 1 92 GLY H . . 2.800 2.948 2.887 3.123 0.323 4 0 "[ . 1 ]" 1
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