NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584489 |
2mw5   |
25299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mw5
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 501
_Distance_constraint_stats_list.Viol_count 1144
_Distance_constraint_stats_list.Viol_total 9970.702
_Distance_constraint_stats_list.Viol_max 6.643
_Distance_constraint_stats_list.Viol_rms 0.6009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1990
_Distance_constraint_stats_list.Viol_average_violations_only 0.8716
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 25.074 3.484 7 5 "[* *.-+ *1]"
1 2 SER 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.747 0.362 8 0 "[ . 1]"
1 4 GLN 25.563 3.484 7 5 "[* *.-+ *1]"
1 5 GLU 1.236 0.362 8 0 "[ . 1]"
1 6 ALA 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 PRO 0.000 0.000 . 0 "[ . 1]"
1 9 SER 10.456 3.438 10 3 "[ - . * +]"
1 10 THR 3.217 0.780 8 1 "[ . + 1]"
1 11 GLU 0.031 0.017 2 0 "[ . 1]"
1 12 ASP 26.886 3.438 10 8 "[** *****+]"
1 13 LEU 13.764 3.154 8 8 "[** ***+*-]"
1 14 GLY 0.794 0.573 6 1 "[ .+ 1]"
1 15 ASP 8.485 2.614 2 4 "[ +- . * *1]"
1 16 LYS 5.997 1.437 10 6 "[ ** *- * +]"
1 17 LYS 3.875 1.419 2 2 "[ + - 1]"
1 18 GLU 7.966 2.614 2 4 "[ +- . * *1]"
1 19 GLY 9.964 1.437 10 5 "[ ** * - +]"
1 20 GLU 17.827 3.817 9 9 "[**-*** *+*]"
1 21 TYR 8.313 1.588 4 4 "[*- +. *1]"
1 22 ILE 37.434 2.995 2 9 "[*+***** *-]"
1 23 LYS 137.409 5.579 10 10 [*-*******+]
1 24 LEU 39.980 3.724 6 10 [***-*+****]
1 25 LYS 84.800 4.301 7 10 [******+*-*]
1 26 VAL 111.374 6.643 7 10 [*-****+***]
1 27 ILE 28.330 2.685 1 9 "[+-****** *]"
1 28 GLY 6.723 1.535 1 3 "[+- *. 1]"
1 29 GLN 4.361 0.747 1 2 "[+- . 1]"
1 30 ASP 0.557 0.257 1 0 "[ . 1]"
1 31 SER 5.760 0.910 4 3 "[*- +. 1]"
1 32 SER 7.327 1.535 1 4 "[+- *. *1]"
1 33 GLU 15.544 1.657 1 7 "[+- *.* ***]"
1 34 ILE 26.399 3.972 1 10 [+******-**]
1 35 HIS 10.175 2.437 7 7 "[*-* * +* *]"
1 36 PHE 16.997 2.839 1 6 "[+**-. * *1]"
1 37 LYS 52.742 3.620 1 7 "[+-**** *1]"
1 38 VAL 7.726 0.541 1 1 "[+ . 1]"
1 39 LYS 25.013 2.926 3 10 [*-+*******]
1 40 MET 38.877 4.511 5 10 [****+****-]
1 41 THR 28.342 4.094 2 9 "[ +********]"
1 42 THR 14.259 3.090 4 5 "[* +.* - *]"
1 43 HIS 10.824 3.561 2 4 "[*+ -. * 1]"
1 44 LEU 11.203 1.566 2 6 "[*+ -.* * *]"
1 45 LYS 23.017 2.125 1 10 [+*********]
1 46 LYS 2.844 0.537 1 1 "[+ . 1]"
1 47 LEU 37.312 3.090 4 10 [***+******]
1 48 LYS 5.414 1.545 2 4 "[ +**.- 1]"
1 49 GLU 21.105 4.301 10 6 "[ **-* *+]"
1 50 SER 9.179 1.525 2 3 "[ + * *1]"
1 51 TYR 93.536 6.643 7 10 [*****-+***]
1 52 CYS 22.046 1.888 4 8 "[***+*-** 1]"
1 53 GLN 12.054 1.198 4 7 "[ - +*****1]"
1 54 ARG 45.968 2.186 2 10 [*+****-***]
1 55 GLN 4.202 0.777 6 2 "[ *+ 1]"
1 56 GLY 4.534 0.725 8 4 "[ *.*-+ 1]"
1 57 VAL 25.042 1.786 6 8 "[ *-**+ ***]"
1 58 PRO 2.165 0.734 5 1 "[ + 1]"
1 59 MET 20.117 4.301 10 5 "[ *.-* *+]"
1 60 ASN 3.143 0.734 5 1 "[ + 1]"
1 61 SER 11.261 1.404 4 6 "[ **+.* * -]"
1 62 LEU 9.446 2.103 3 5 "[ -+ .** *]"
1 63 ARG 4.431 1.329 9 2 "[ .- +1]"
1 64 PHE 31.680 2.512 10 9 "[ ******-*+]"
1 65 LEU 38.847 2.231 2 10 [*+*******-]
1 66 PHE 22.513 2.839 4 9 "[* *+*-****]"
1 67 GLU 0.651 0.279 6 0 "[ . 1]"
1 68 GLY 7.068 2.231 2 2 "[-+ . 1]"
1 69 GLN 22.060 3.608 4 10 [***+*****-]
1 70 ARG 23.133 2.178 7 9 "[* ****+**-]"
1 71 ILE 51.376 3.608 4 10 [***+*-****]
1 72 ALA 4.304 1.092 2 2 "[ +- . 1]"
1 73 ASP 0.000 0.000 . 0 "[ . 1]"
1 74 ASN 2.780 0.988 3 2 "[ + - 1]"
1 75 HIS 38.181 5.932 9 8 "[***-* *+*]"
1 76 THR 35.460 5.077 9 8 "[-**** *+*]"
1 77 PRO 1.047 0.844 9 1 "[ . +1]"
1 78 LYS 24.351 4.511 5 7 "[ ***+* -*]"
1 79 GLU 16.528 1.642 9 4 "[ .- *+*]"
1 80 LEU 53.231 5.932 9 9 "[-***** *+*]"
1 81 GLY 1.392 0.615 3 1 "[ + . 1]"
1 82 MET 45.936 3.724 6 10 [*-***+****]
1 83 GLU 8.821 2.465 2 4 "[ +* .- *1]"
1 84 GLU 48.237 5.579 10 10 [***-*****+]
1 85 GLU 46.949 3.584 10 8 "[** ** -**+]"
1 86 ASP 25.154 4.366 3 9 [**+**-***1]
1 87 VAL 50.377 4.007 2 10 [*+******-*]
1 88 ILE 81.684 4.366 3 10 [**+**-****]
1 89 GLU 23.559 2.685 1 9 "[+**** ***-]"
1 90 VAL 10.998 1.751 9 6 "[ * *. *-+*]"
1 91 TYR 3.314 1.397 9 4 "[ **.- +1]"
1 92 GLN 6.398 1.708 10 5 "[ -* .** +]"
1 93 GLU 13.374 2.103 3 5 "[ *+ * **]"
1 94 GLN 0.000 0.000 . 0 "[ . 1]"
1 95 THR 0.000 0.000 . 0 "[ . 1]"
1 96 GLY 5.575 2.009 10 4 "[ * - *+]"
1 97 GLY 0.000 0.000 . 0 "[ . 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 1 MET CA 1 4 GLN N . . 6.500 6.152 5.013 7.595 1.095 6 1 "[ .+ 1]" 1
2 1 1 MET CB 1 3 ASP N . . 6.500 5.304 4.320 5.740 . 0 0 "[ . 1]" 1
3 1 1 MET N 1 4 GLN CA . . 6.500 7.309 5.576 9.693 3.193 7 5 "[- *.*+ *1]" 1
4 1 1 MET N 1 4 GLN CB . . 6.500 7.251 4.712 9.984 3.484 7 5 "[* -.*+ *1]" 1
5 1 2 SER CB 1 3 ASP N . . 6.500 3.353 3.169 3.700 . 0 0 "[ . 1]" 1
6 1 2 SER CB 1 4 GLN N . . 6.500 5.637 4.633 6.405 . 0 0 "[ . 1]" 1
7 1 2 SER N 1 3 ASP N . . 5.500 2.820 2.675 2.913 . 0 0 "[ . 1]" 1
8 1 3 ASP CA 1 5 GLU N . . 6.500 5.561 4.337 6.032 . 0 0 "[ . 1]" 1
9 1 3 ASP CB 1 5 GLU N . . 6.500 6.359 5.568 6.862 0.362 8 0 "[ . 1]" 1
10 1 3 ASP N 1 4 GLN N . . 5.500 3.065 2.745 3.610 . 0 0 "[ . 1]" 1
11 1 4 GLN CA 1 5 GLU N . . 6.500 2.441 2.428 2.457 . 0 0 "[ . 1]" 1
12 1 4 GLN CB 1 5 GLU N . . 6.500 3.228 3.053 3.422 . 0 0 "[ . 1]" 1
13 1 4 GLN CG 1 5 GLU N . . 6.500 4.099 3.506 4.768 . 0 0 "[ . 1]" 1
14 1 4 GLN N 1 5 GLU CG . . 6.500 6.104 5.253 6.820 0.320 5 0 "[ . 1]" 1
15 1 4 GLN N 1 5 GLU N . . 5.500 3.524 2.680 3.700 . 0 0 "[ . 1]" 1
16 1 5 GLU CA 1 6 ALA N . . 6.500 2.431 2.419 2.441 . 0 0 "[ . 1]" 1
17 1 5 GLU N 1 6 ALA CA . . 6.500 4.575 4.081 4.911 . 0 0 "[ . 1]" 1
18 1 5 GLU N 1 6 ALA N . . 5.500 3.260 2.666 3.689 . 0 0 "[ . 1]" 1
19 1 6 ALA N 1 7 LYS N . . 5.500 3.264 2.640 3.640 . 0 0 "[ . 1]" 1
20 1 7 LYS N 1 8 PRO CD . . 6.500 4.086 3.148 4.447 . 0 0 "[ . 1]" 1
21 1 8 PRO CB 1 10 THR N . . 6.500 5.066 4.114 5.857 . 0 0 "[ . 1]" 1
22 1 9 SER CA 1 10 THR N . . 6.500 2.431 2.414 2.453 . 0 0 "[ . 1]" 1
23 1 9 SER CA 1 11 GLU N . . 6.500 5.019 4.124 5.968 . 0 0 "[ . 1]" 1
24 1 9 SER CB 1 11 GLU N . . 6.500 5.763 4.042 6.517 0.017 2 0 "[ . 1]" 1
25 1 9 SER N 1 10 THR CG2 . . 6.700 5.591 4.679 6.506 . 0 0 "[ . 1]" 1
26 1 9 SER N 1 10 THR N . . 5.500 2.922 2.657 3.557 . 0 0 "[ . 1]" 1
27 1 9 SER N 1 12 ASP CB . . 6.500 6.913 3.725 9.938 3.438 10 3 "[ - . * +]" 1
28 1 10 THR CA 1 11 GLU N . . 6.500 2.428 2.407 2.445 . 0 0 "[ . 1]" 1
29 1 10 THR CA 1 12 ASP N . . 6.500 4.387 4.084 5.525 . 0 0 "[ . 1]" 1
30 1 10 THR CB 1 12 ASP N . . 5.300 5.231 3.971 5.792 0.492 8 0 "[ . 1]" 1
31 1 10 THR CG2 1 12 ASP N . . 6.500 6.200 3.900 7.280 0.780 8 1 "[ . + 1]" 1
32 1 10 THR N 1 11 GLU CA . . 6.500 4.503 4.105 4.845 . 0 0 "[ . 1]" 1
33 1 10 THR N 1 11 GLU N . . 5.500 3.184 2.685 3.620 . 0 0 "[ . 1]" 1
34 1 11 GLU CA 1 12 ASP N . . 6.500 2.425 2.391 2.466 . 0 0 "[ . 1]" 1
35 1 11 GLU CB 1 12 ASP N . . 6.500 3.479 3.187 3.740 . 0 0 "[ . 1]" 1
36 1 11 GLU N 1 12 ASP CB . . 6.500 4.949 4.390 6.026 . 0 0 "[ . 1]" 1
37 1 11 GLU N 1 12 ASP N . . 5.500 2.809 2.585 3.608 . 0 0 "[ . 1]" 1
38 1 12 ASP CA 1 13 LEU N . . 6.500 2.425 2.401 2.442 . 0 0 "[ . 1]" 1
39 1 12 ASP CA 1 14 GLY N . . 6.500 5.635 5.318 6.005 . 0 0 "[ . 1]" 1
40 1 12 ASP N 1 13 LEU CD2 . . 5.000 6.230 4.052 8.154 3.154 8 8 "[** ***+*-]" 1
41 1 12 ASP N 1 13 LEU N . . 5.500 2.905 2.547 3.617 . 0 0 "[ . 1]" 1
42 1 13 LEU CA 1 14 GLY N . . 6.500 2.434 2.415 2.462 . 0 0 "[ . 1]" 1
43 1 13 LEU CB 1 15 ASP N . . 6.500 5.418 4.340 6.838 0.338 7 0 "[ . 1]" 1
44 1 13 LEU N 1 14 GLY CA . . 6.500 4.825 4.735 4.903 . 0 0 "[ . 1]" 1
45 1 13 LEU N 1 14 GLY N . . 5.500 3.593 3.514 3.672 . 0 0 "[ . 1]" 1
46 1 14 GLY CA 1 15 ASP N . . 6.500 2.421 2.411 2.440 . 0 0 "[ . 1]" 1
47 1 14 GLY CA 1 16 LYS N . . 5.000 4.660 4.340 5.573 0.573 6 1 "[ .+ 1]" 1
48 1 14 GLY N 1 15 ASP CB . . 6.500 5.091 4.672 6.137 . 0 0 "[ . 1]" 1
49 1 14 GLY N 1 15 ASP N . . 5.500 2.947 2.701 3.692 . 0 0 "[ . 1]" 1
50 1 15 ASP CA 1 16 LYS N . . 6.500 2.438 2.417 2.468 . 0 0 "[ . 1]" 1
51 1 15 ASP CB 1 16 LYS N . . 6.500 3.322 2.977 3.731 . 0 0 "[ . 1]" 1
52 1 15 ASP CB 1 18 GLU N . . 5.000 5.463 3.810 7.614 2.614 2 4 "[ +- . * *1]" 1
53 1 15 ASP N 1 16 LYS N . . 5.500 2.991 2.721 3.609 . 0 0 "[ . 1]" 1
54 1 16 LYS CA 1 17 LYS N . . 6.500 2.441 2.428 2.479 . 0 0 "[ . 1]" 1
55 1 16 LYS CA 1 19 GLY N . . 6.500 6.514 4.496 7.937 1.437 10 5 "[ ** * - +]" 1
56 1 16 LYS N 1 17 LYS CA . . 6.500 4.242 4.102 4.403 . 0 0 "[ . 1]" 1
57 1 16 LYS N 1 17 LYS CB . . 6.500 5.027 4.711 5.270 . 0 0 "[ . 1]" 1
58 1 16 LYS N 1 17 LYS N . . 5.500 2.821 2.706 2.988 . 0 0 "[ . 1]" 1
59 1 17 LYS CA 1 18 GLU N . . 6.500 2.427 2.402 2.443 . 0 0 "[ . 1]" 1
60 1 17 LYS CB 1 19 GLY N . . 6.500 5.633 4.240 6.667 0.167 7 0 "[ . 1]" 1
61 1 17 LYS CG 1 19 GLY N . . 6.500 6.492 4.306 7.919 1.419 2 2 "[ + - 1]" 1
62 1 17 LYS N 1 18 GLU CA . . 6.500 4.268 4.160 4.788 . 0 0 "[ . 1]" 1
63 1 18 GLU N 1 19 GLY CA . . 5.000 4.560 4.201 4.944 . 0 0 "[ . 1]" 1
64 1 18 GLU N 1 19 GLY N . . 5.500 3.236 2.786 3.719 . 0 0 "[ . 1]" 1
65 1 19 GLY H 1 20 GLU N . . 5.000 3.583 2.783 4.339 . 0 0 "[ . 1]" 1
66 1 19 GLY N 1 20 GLU H . . 5.500 3.310 2.186 3.997 . 0 0 "[ . 1]" 1
67 1 19 GLY N 1 20 GLU N . . 5.500 3.295 2.644 3.700 . 0 0 "[ . 1]" 1
68 1 19 GLY N 1 21 TYR N . . 6.300 6.049 4.450 6.594 0.294 1 0 "[ . 1]" 1
69 1 20 GLU CB 1 21 TYR N . . 5.000 3.284 3.163 3.419 . 0 0 "[ . 1]" 1
70 1 20 GLU CG 1 21 TYR N . . 5.000 4.079 3.404 4.710 . 0 0 "[ . 1]" 1
71 1 20 GLU CG 1 40 MET N . . 5.000 6.685 4.027 8.817 3.817 9 9 "[**-*** *+*]" 1
72 1 20 GLU H 1 21 TYR N . . 5.000 4.017 3.073 4.429 . 0 0 "[ . 1]" 1
73 1 20 GLU N 1 21 TYR H . . 5.000 3.704 2.232 3.966 . 0 0 "[ . 1]" 1
74 1 20 GLU N 1 21 TYR N . . 5.000 3.473 2.661 3.671 . 0 0 "[ . 1]" 1
75 1 21 TYR N 1 22 ILE N . . 5.000 3.638 3.487 3.699 . 0 0 "[ . 1]" 1
76 1 21 TYR N 1 39 LYS CA . . 5.000 5.027 4.264 5.911 0.911 1 2 "[+ -. 1]" 1
77 1 21 TYR N 1 39 LYS CG . . 6.700 6.783 4.876 8.288 1.588 4 4 "[*- +. *1]" 1
78 1 22 ILE CD1 1 23 LYS N . . 5.200 4.854 4.648 5.035 . 0 0 "[ . 1]" 1
79 1 22 ILE CD1 1 82 MET N . . 6.900 7.809 5.552 9.895 2.995 2 6 "[-+ ** **]" 1
80 1 22 ILE CD1 1 83 GLU N . . 5.900 6.276 3.903 8.365 2.465 2 4 "[ +* .- *1]" 1
81 1 22 ILE CG1 1 23 LYS N . . 5.000 3.468 3.261 3.909 . 0 0 "[ . 1]" 1
82 1 22 ILE CG1 1 40 MET N . . 6.200 6.028 3.952 7.382 1.182 7 2 "[ . + -]" 1
83 1 22 ILE CG1 1 84 GLU N . . 6.200 5.805 3.925 8.050 1.850 3 4 "[ *+-. *1]" 1
84 1 22 ILE CG2 1 38 VAL N . . 6.300 5.554 4.008 6.792 0.492 6 0 "[ . 1]" 1
85 1 22 ILE CG2 1 40 MET N . . 5.700 4.668 4.173 5.836 0.136 1 0 "[ . 1]" 1
86 1 22 ILE N 1 37 LYS CB . . 5.000 5.538 4.568 6.132 1.132 5 6 "[-***+ *1]" 1
87 1 22 ILE N 1 38 VAL CA . . 5.000 4.882 4.300 5.136 0.136 1 0 "[ . 1]" 1
88 1 22 ILE N 1 38 VAL CB . . 5.600 5.851 5.630 6.141 0.541 1 1 "[+ . 1]" 1
89 1 22 ILE N 1 38 VAL CG1 . . 6.800 7.018 6.663 7.340 0.540 1 1 "[+ . 1]" 1
90 1 22 ILE N 1 38 VAL CG2 . . 5.700 5.476 4.983 5.793 0.093 1 0 "[ . 1]" 1
91 1 22 ILE N 1 38 VAL N . . 5.000 4.393 3.708 4.737 . 0 0 "[ . 1]" 1
92 1 22 ILE N 1 39 LYS CA . . 5.000 4.881 4.656 5.176 0.176 4 0 "[ . 1]" 1
93 1 23 LYS CA 1 37 LYS N . . 6.000 5.155 4.269 7.368 1.368 1 1 "[+ . 1]" 1
94 1 23 LYS CA 1 85 GLU N . . 5.300 6.404 5.112 8.286 2.986 4 6 "[-* +* **]" 1
95 1 23 LYS CB 1 24 LEU N . . 6.000 3.477 3.101 3.681 . 0 0 "[ . 1]" 1
96 1 23 LYS CB 1 37 LYS N . . 5.800 5.516 4.668 8.402 2.602 1 1 "[+ . 1]" 1
97 1 23 LYS CB 1 84 GLU N . . 5.000 6.368 5.194 7.995 2.995 10 8 "[ -****** +]" 1
98 1 23 LYS CB 1 85 GLU N . . 5.700 6.374 4.758 8.582 2.882 10 5 "[ * ** -+]" 1
99 1 23 LYS CD 1 37 LYS N . . 5.800 6.187 4.642 9.350 3.550 1 3 "[+- .* 1]" 1
100 1 23 LYS CD 1 85 GLU N . . 6.400 7.696 5.317 9.984 3.584 10 8 "[** ** *-*+]" 1
101 1 23 LYS CE 1 37 LYS N . . 5.800 6.645 4.381 9.420 3.620 1 5 "[+* -* *1]" 1
102 1 23 LYS CE 1 84 GLU N . . 5.300 8.232 4.516 10.879 5.579 10 9 "[* ******-+]" 1
103 1 23 LYS CG 1 37 LYS N . . 5.500 5.281 3.915 8.100 2.600 1 3 "[+* .- 1]" 1
104 1 23 LYS CG 1 85 GLU N . . 6.200 7.344 5.582 9.119 2.919 10 7 "[** ** - *+]" 1
105 1 23 LYS N 1 37 LYS CB . . 5.600 5.589 4.292 7.306 1.706 1 3 "[+- *. 1]" 1
106 1 23 LYS N 1 37 LYS CD . . 5.500 6.460 4.928 8.178 2.678 1 6 "[+***- *1]" 1
107 1 23 LYS N 1 37 LYS CG . . 5.200 5.379 3.888 7.269 2.069 1 4 "[+* *. -1]" 1
108 1 24 LEU CD1 1 82 MET N . . 6.800 8.681 6.102 10.524 3.724 6 7 "[ ***+-* *]" 1
109 1 24 LEU CG 1 86 ASP N . . 6.800 6.475 4.735 7.928 1.128 5 3 "[ * +- 1]" 1
110 1 24 LEU N 1 25 LYS N . . 5.000 3.515 3.374 3.649 . 0 0 "[ . 1]" 1
111 1 24 LEU N 1 36 PHE CB . . 6.500 7.284 5.813 9.339 2.839 1 5 "[+*- . * *1]" 1
112 1 24 LEU N 1 36 PHE N . . 5.000 5.679 4.580 7.372 2.372 1 6 "[+**-. * *1]" 1
113 1 25 LYS CA 1 27 ILE N . . 6.000 5.432 5.183 5.869 . 0 0 "[ . 1]" 1
114 1 25 LYS CB 1 26 VAL N . . 6.000 3.350 3.114 3.704 . 0 0 "[ . 1]" 1
115 1 25 LYS CB 1 27 ILE N . . 6.000 5.629 5.207 6.434 0.434 4 0 "[ . 1]" 1
116 1 25 LYS CB 1 87 VAL N . . 5.000 5.585 3.847 7.993 2.993 2 4 "[ + ** -]" 1
117 1 25 LYS CD 1 35 HIS N . . 5.700 6.606 5.485 8.137 2.437 7 7 "[*-* * +* *]" 1
118 1 25 LYS CD 1 87 VAL N . . 6.100 6.091 4.223 8.231 2.131 2 3 "[ + .* -1]" 1
119 1 25 LYS CE 1 87 VAL N . . 5.200 6.920 5.331 9.207 4.007 2 7 "[ +**-** *1]" 1
120 1 25 LYS N 1 26 VAL CA . . 6.000 4.738 4.361 4.915 . 0 0 "[ . 1]" 1
121 1 25 LYS N 1 26 VAL N . . 5.000 3.463 3.024 3.639 . 0 0 "[ . 1]" 1
122 1 25 LYS N 1 35 HIS CB . . 5.600 5.255 3.912 6.055 0.455 9 0 "[ . 1]" 1
123 1 25 LYS N 1 87 VAL CA . . 5.300 6.327 4.312 9.203 3.903 2 4 "[ + *- *]" 1
124 1 25 LYS N 1 88 ILE CD1 . . 5.000 6.906 4.118 9.301 4.301 7 8 "[* *** +**-]" 1
125 1 25 LYS N 1 88 ILE N . . 5.000 6.250 4.974 7.534 2.534 5 7 "[-* *+** *]" 1
126 1 26 VAL CA 1 27 ILE N . . 6.000 2.442 2.397 2.465 . 0 0 "[ . 1]" 1
127 1 26 VAL CA 1 88 ILE N . . 6.500 5.129 4.526 6.651 0.151 2 0 "[ . 1]" 1
128 1 26 VAL CB 1 28 GLY N . . 6.000 5.431 4.880 6.518 0.518 2 1 "[ + . 1]" 1
129 1 26 VAL CG1 1 34 ILE N . . 6.400 6.303 5.301 8.703 2.303 1 1 "[+ . 1]" 1
130 1 26 VAL CG1 1 51 TYR N . . 6.000 9.827 7.382 12.151 6.151 7 10 [*-****+***] 1
131 1 26 VAL CG2 1 34 ILE N . . 6.000 6.221 4.576 6.907 0.907 6 5 "[* *+ - *]" 1
132 1 26 VAL CG2 1 51 TYR N . . 6.600 9.924 6.598 13.243 6.643 7 9 "[ -****+***]" 1
133 1 26 VAL N 1 27 ILE CB . . 6.000 5.527 5.063 5.915 . 0 0 "[ . 1]" 1
134 1 26 VAL N 1 27 ILE CD1 . . 6.000 6.285 5.253 7.137 1.137 6 4 "[ *+- *]" 1
135 1 26 VAL N 1 27 ILE CG2 . . 6.900 6.874 6.393 7.234 0.334 6 0 "[ . 1]" 1
136 1 26 VAL N 1 27 ILE N . . 5.000 3.439 3.326 3.609 . 0 0 "[ . 1]" 1
137 1 26 VAL N 1 33 GLU CG . . 6.000 6.154 4.502 7.454 1.454 10 6 "[*- *.* *+]" 1
138 1 26 VAL N 1 34 ILE CA . . 6.000 4.962 4.646 6.608 0.608 1 1 "[+ . 1]" 1
139 1 26 VAL N 1 34 ILE CB . . 6.000 5.160 4.431 7.401 1.401 1 1 "[+ . 1]" 1
140 1 26 VAL N 1 34 ILE CD1 . . 5.400 6.574 5.467 9.372 3.972 1 8 "[+-**.*** *]" 1
141 1 26 VAL N 1 34 ILE CG1 . . 6.000 5.983 4.901 8.516 2.516 1 1 "[+ . 1]" 1
142 1 26 VAL N 1 88 ILE CB . . 6.500 5.792 5.144 6.645 0.145 4 0 "[ . 1]" 1
143 1 26 VAL N 1 88 ILE CD1 . . 6.600 6.742 5.290 8.235 1.635 4 4 "[ *+- * 1]" 1
144 1 27 ILE CD1 1 33 GLU N . . 6.500 5.954 5.063 6.804 0.304 10 0 "[ . 1]" 1
145 1 27 ILE CD1 1 89 GLU N . . 5.000 6.194 5.429 7.685 2.685 1 7 "[+***. ** -]" 1
146 1 27 ILE CG1 1 33 GLU N . . 5.000 5.027 4.402 5.762 0.762 10 1 "[ . +]" 1
147 1 27 ILE CG2 1 31 SER N . . 5.000 4.960 4.633 5.910 0.910 4 1 "[ +. 1]" 1
148 1 27 ILE CG2 1 32 SER N . . 6.000 4.347 3.873 4.839 . 0 0 "[ . 1]" 1
149 1 27 ILE CG2 1 33 GLU N . . 5.000 4.831 4.207 5.200 0.200 10 0 "[ . 1]" 1
150 1 27 ILE N 1 28 GLY N . . 5.000 3.352 3.209 3.607 . 0 0 "[ . 1]" 1
151 1 27 ILE N 1 33 GLU CA . . 5.000 5.030 4.555 5.942 0.942 1 1 "[+ . 1]" 1
152 1 27 ILE N 1 33 GLU CB . . 5.200 5.688 4.977 6.857 1.657 1 4 "[+- . * *]" 1
153 1 27 ILE N 1 89 GLU CB . . 5.800 5.240 4.690 5.888 0.088 8 0 "[ . 1]" 1
154 1 27 ILE N 1 89 GLU CG . . 6.200 5.417 4.893 6.201 0.001 10 0 "[ . 1]" 1
155 1 28 GLY CA 1 29 GLN N . . 5.000 2.421 2.400 2.447 . 0 0 "[ . 1]" 1
156 1 28 GLY CA 1 30 ASP N . . 5.000 4.346 4.079 4.631 . 0 0 "[ . 1]" 1
157 1 28 GLY CA 1 31 SER N . . 5.000 4.712 4.458 4.896 . 0 0 "[ . 1]" 1
158 1 28 GLY CA 1 32 SER N . . 6.000 5.074 4.605 6.336 0.336 1 0 "[ . 1]" 1
159 1 28 GLY CA 1 90 VAL N . . 6.500 4.956 4.279 5.654 . 0 0 "[ . 1]" 1
160 1 28 GLY N 1 29 GLN N . . 5.000 3.666 3.613 3.703 . 0 0 "[ . 1]" 1
161 1 28 GLY N 1 31 SER N . . 5.000 4.806 4.568 5.064 0.064 4 0 "[ . 1]" 1
162 1 28 GLY N 1 32 SER CB . . 5.500 5.862 5.103 7.035 1.535 1 3 "[+- *. 1]" 1
163 1 28 GLY N 1 90 VAL CG1 . . 6.200 6.110 5.263 7.080 0.880 2 1 "[ + . 1]" 1
164 1 29 GLN CA 1 31 SER N . . 5.000 4.161 3.938 4.410 . 0 0 "[ . 1]" 1
165 1 29 GLN CB 1 30 ASP N . . 5.000 3.313 3.121 3.498 . 0 0 "[ . 1]" 1
166 1 29 GLN CB 1 31 SER N . . 5.400 5.483 5.324 5.628 0.228 10 0 "[ . 1]" 1
167 1 29 GLN CG 1 31 SER N . . 5.900 6.246 5.909 6.647 0.747 1 2 "[+- . 1]" 1
168 1 29 GLN N 1 30 ASP CB . . 5.500 4.994 4.758 5.468 . 0 0 "[ . 1]" 1
169 1 29 GLN N 1 30 ASP N . . 5.000 2.791 2.685 3.079 . 0 0 "[ . 1]" 1
170 1 30 ASP CA 1 32 SER N . . 6.000 4.356 4.206 4.584 . 0 0 "[ . 1]" 1
171 1 30 ASP CB 1 32 SER N . . 6.000 4.647 4.477 4.887 . 0 0 "[ . 1]" 1
172 1 30 ASP N 1 31 SER CA . . 5.000 4.081 3.976 4.170 . 0 0 "[ . 1]" 1
173 1 30 ASP N 1 31 SER CB . . 5.000 4.950 4.717 5.071 0.071 3 0 "[ . 1]" 1
174 1 30 ASP N 1 31 SER N . . 5.000 2.656 2.588 2.747 . 0 0 "[ . 1]" 1
175 1 30 ASP N 1 32 SER N . . 5.000 4.684 4.211 5.257 0.257 1 0 "[ . 1]" 1
176 1 31 SER N 1 32 SER CA . . 5.000 4.237 4.130 4.320 . 0 0 "[ . 1]" 1
177 1 31 SER N 1 32 SER CB . . 5.000 4.793 4.515 5.014 0.014 10 0 "[ . 1]" 1
178 1 31 SER N 1 32 SER N . . 5.000 2.806 2.747 2.862 . 0 0 "[ . 1]" 1
179 1 32 SER N 1 33 GLU N . . 5.000 3.533 3.412 3.630 . 0 0 "[ . 1]" 1
180 1 32 SER N 1 34 ILE CG1 . . 6.500 6.647 5.973 7.573 1.073 2 2 "[ + . -1]" 1
181 1 33 GLU CA 1 34 ILE N . . 6.000 2.423 2.408 2.437 . 0 0 "[ . 1]" 1
182 1 33 GLU N 1 34 ILE CD1 . . 6.500 6.238 5.481 6.778 0.278 9 0 "[ . 1]" 1
183 1 33 GLU N 1 34 ILE CG1 . . 6.000 5.154 4.507 5.679 . 0 0 "[ . 1]" 1
184 1 33 GLU N 1 34 ILE N . . 5.000 3.437 2.712 3.637 . 0 0 "[ . 1]" 1
185 1 34 ILE CA 1 35 HIS N . . 6.000 2.441 2.426 2.466 . 0 0 "[ . 1]" 1
186 1 34 ILE CB 1 35 HIS N . . 6.000 3.486 3.426 3.552 . 0 0 "[ . 1]" 1
187 1 36 PHE CB 1 37 LYS N . . 6.000 3.204 3.076 3.328 . 0 0 "[ . 1]" 1
188 1 36 PHE N 1 37 LYS N . . 5.000 3.625 3.580 3.672 . 0 0 "[ . 1]" 1
189 1 37 LYS N 1 38 VAL N . . 5.000 3.343 2.916 3.492 . 0 0 "[ . 1]" 1
190 1 38 VAL CG2 1 39 LYS N . . 5.000 3.820 3.724 3.898 . 0 0 "[ . 1]" 1
191 1 38 VAL CG2 1 40 MET N . . 5.600 5.722 5.528 6.055 0.455 7 0 "[ . 1]" 1
192 1 38 VAL N 1 39 LYS N . . 5.000 3.638 3.602 3.679 . 0 0 "[ . 1]" 1
193 1 39 LYS CA 1 41 THR N . . 5.300 5.153 4.335 5.522 0.222 10 0 "[ . 1]" 1
194 1 39 LYS CB 1 41 THR N . . 5.800 5.496 4.346 6.042 0.242 2 0 "[ . 1]" 1
195 1 39 LYS CD 1 41 THR N . . 5.200 6.334 4.944 8.126 2.926 3 8 "[ *+ ***-**]" 1
196 1 39 LYS CG 1 41 THR N . . 5.300 5.444 4.152 7.323 2.023 3 2 "[ -+ . 1]" 1
197 1 40 MET CA 1 41 THR N . . 5.000 2.427 2.407 2.446 . 0 0 "[ . 1]" 1
198 1 40 MET CB 1 41 THR N . . 5.000 3.354 3.161 3.541 . 0 0 "[ . 1]" 1
199 1 40 MET CG 1 41 THR N . . 5.000 4.349 3.523 4.836 . 0 0 "[ . 1]" 1
200 1 40 MET CG 1 78 LYS N . . 5.700 6.814 4.640 10.211 4.511 5 5 "[ *-*+ *]" 1
201 1 40 MET N 1 41 THR CG2 . . 5.400 5.400 4.655 6.240 0.840 10 1 "[ . +]" 1
202 1 40 MET N 1 41 THR N . . 5.000 3.374 2.741 3.614 . 0 0 "[ . 1]" 1
203 1 40 MET N 1 42 THR N . . 6.700 6.203 4.469 7.011 0.311 2 0 "[ . 1]" 1
204 1 41 THR CA 1 42 THR N . . 5.000 2.424 2.394 2.467 . 0 0 "[ . 1]" 1
205 1 41 THR CG2 1 42 THR N . . 5.000 4.504 4.311 4.878 . 0 0 "[ . 1]" 1
206 1 41 THR N 1 42 THR N . . 5.000 3.399 2.744 3.691 . 0 0 "[ . 1]" 1
207 1 41 THR N 1 76 THR CB . . 6.200 6.792 5.190 10.294 4.094 2 6 "[ + -* ***]" 1
208 1 42 THR CA 1 47 LEU N . . 5.900 5.969 5.328 7.568 1.668 4 2 "[- +. 1]" 1
209 1 42 THR CG2 1 44 LEU N . . 6.500 6.283 5.273 7.328 0.828 6 4 "[* .+ - *]" 1
210 1 42 THR CG2 1 47 LEU N . . 5.900 4.778 3.529 7.509 1.609 1 1 "[+ . 1]" 1
211 1 42 THR N 1 43 HIS CA . . 5.000 4.872 4.788 4.964 . 0 0 "[ . 1]" 1
212 1 42 THR N 1 43 HIS CB . . 6.100 6.035 5.704 6.184 0.084 9 0 "[ . 1]" 1
213 1 42 THR N 1 47 LEU CB . . 6.800 6.377 4.804 9.890 3.090 4 2 "[- +. 1]" 1
214 1 43 HIS CA 1 44 LEU N . . 5.000 2.424 2.400 2.448 . 0 0 "[ . 1]" 1
215 1 43 HIS N 1 75 HIS N . . 6.200 6.773 6.302 9.061 2.861 2 3 "[*+ -. 1]" 1
216 1 43 HIS N 1 76 THR CG2 . . 5.000 4.879 3.709 8.561 3.561 2 2 "[ + . - 1]" 1
217 1 44 LEU CB 1 45 LYS N . . 5.000 3.279 3.198 3.424 . 0 0 "[ . 1]" 1
218 1 44 LEU CB 1 46 LYS N . . 5.900 5.662 5.574 5.776 . 0 0 "[ . 1]" 1
219 1 44 LEU CB 1 75 HIS N . . 5.000 4.458 3.877 5.042 0.042 1 0 "[ . 1]" 1
220 1 44 LEU CB 1 76 THR N . . 6.200 5.812 5.444 6.072 . 0 0 "[ . 1]" 1
221 1 44 LEU CD1 1 45 LYS N . . 5.000 4.355 3.814 5.367 0.367 1 0 "[ . 1]" 1
222 1 44 LEU CD1 1 46 LYS N . . 6.400 6.448 6.247 6.822 0.422 1 0 "[ . 1]" 1
223 1 44 LEU CG 1 45 LYS N . . 5.000 4.218 3.928 4.863 . 0 0 "[ . 1]" 1
224 1 44 LEU CG 1 75 HIS N . . 5.700 5.426 4.813 6.133 0.433 4 0 "[ . 1]" 1
225 1 44 LEU N 1 45 LYS CB . . 5.000 5.050 4.870 5.302 0.302 2 0 "[ . 1]" 1
226 1 44 LEU N 1 45 LYS N . . 5.000 2.897 2.768 2.985 . 0 0 "[ . 1]" 1
227 1 44 LEU N 1 47 LEU CA . . 5.800 5.513 5.123 6.311 0.511 4 1 "[ +. 1]" 1
228 1 44 LEU N 1 47 LEU CB . . 5.400 4.824 4.291 5.849 0.449 4 0 "[ . 1]" 1
229 1 44 LEU N 1 75 HIS CA . . 5.000 5.011 4.614 6.566 1.566 2 1 "[ + . 1]" 1
230 1 44 LEU N 1 76 THR CG2 . . 6.300 5.852 4.842 7.704 1.404 2 2 "[ + . - 1]" 1
231 1 45 LYS CA 1 47 LEU N . . 5.000 4.419 4.280 4.565 . 0 0 "[ . 1]" 1
232 1 45 LYS CA 1 48 LYS N . . 5.000 4.707 4.441 5.203 0.203 10 0 "[ . 1]" 1
233 1 45 LYS CB 1 46 LYS N . . 5.000 3.202 3.094 3.405 . 0 0 "[ . 1]" 1
234 1 45 LYS CB 1 47 LEU N . . 5.900 5.651 5.562 5.798 . 0 0 "[ . 1]" 1
235 1 45 LYS CB 1 48 LYS N . . 6.500 6.164 5.864 6.688 0.188 10 0 "[ . 1]" 1
236 1 45 LYS CB 1 74 ASN N . . 5.800 5.605 5.180 5.970 0.170 3 0 "[ . 1]" 1
237 1 45 LYS CD 1 46 LYS N . . 5.000 5.043 4.801 5.537 0.537 1 1 "[+ . 1]" 1
238 1 45 LYS CD 1 47 LEU N . . 6.000 7.703 7.453 8.125 2.125 1 10 [+****-****] 1
239 1 45 LYS CG 1 46 LYS N . . 5.000 3.832 3.355 4.576 . 0 0 "[ . 1]" 1
240 1 45 LYS CG 1 74 ASN N . . 6.300 6.251 4.460 7.288 0.988 3 2 "[ + - 1]" 1
241 1 45 LYS N 1 46 LYS CA . . 5.000 4.271 4.221 4.351 . 0 0 "[ . 1]" 1
242 1 45 LYS N 1 46 LYS CG . . 6.500 6.377 5.414 6.668 0.168 5 0 "[ . 1]" 1
243 1 45 LYS N 1 46 LYS N . . 5.000 2.857 2.808 2.929 . 0 0 "[ . 1]" 1
244 1 45 LYS N 1 47 LEU CA . . 5.600 5.282 5.102 5.458 . 0 0 "[ . 1]" 1
245 1 45 LYS N 1 47 LEU CB . . 5.900 5.274 5.060 5.566 . 0 0 "[ . 1]" 1
246 1 45 LYS N 1 73 ASP CB . . 5.200 4.396 4.012 4.755 . 0 0 "[ . 1]" 1
247 1 46 LYS CA 1 47 LEU N . . 5.000 2.436 2.415 2.460 . 0 0 "[ . 1]" 1
248 1 46 LYS CA 1 50 SER N . . 5.900 5.164 4.924 5.481 . 0 0 "[ . 1]" 1
249 1 46 LYS CG 1 50 SER N . . 6.900 6.070 5.520 7.364 0.464 7 0 "[ . 1]" 1
250 1 46 LYS N 1 47 LEU CB . . 5.200 4.890 4.780 5.064 . 0 0 "[ . 1]" 1
251 1 46 LYS N 1 47 LEU N . . 5.000 2.753 2.681 2.827 . 0 0 "[ . 1]" 1
252 1 47 LEU CA 1 49 GLU N . . 5.000 4.349 4.267 4.544 . 0 0 "[ . 1]" 1
253 1 47 LEU CD1 1 51 TYR N . . 5.900 6.577 5.477 8.518 2.618 8 4 "[ **- + 1]" 1
254 1 47 LEU CG 1 51 TYR N . . 6.700 6.159 5.528 7.383 0.683 8 1 "[ . + 1]" 1
255 1 47 LEU N 1 48 LYS N . . 5.000 2.791 2.764 2.886 . 0 0 "[ . 1]" 1
256 1 47 LEU N 1 49 GLU CB . . 5.500 5.369 5.202 5.908 0.408 4 0 "[ . 1]" 1
257 1 47 LEU N 1 49 GLU N . . 5.000 4.258 4.147 4.459 . 0 0 "[ . 1]" 1
258 1 48 LYS CG 1 52 CYS N . . 6.200 6.558 5.553 7.745 1.545 2 4 "[ +**.- 1]" 1
259 1 48 LYS N 1 49 GLU CA . . 5.000 4.198 4.142 4.321 . 0 0 "[ . 1]" 1
260 1 48 LYS N 1 49 GLU CB . . 5.000 4.990 4.878 5.229 0.229 4 0 "[ . 1]" 1
261 1 48 LYS N 1 49 GLU CG . . 6.400 5.894 5.289 6.462 0.062 9 0 "[ . 1]" 1
262 1 48 LYS N 1 49 GLU N . . 5.000 2.800 2.740 2.922 . 0 0 "[ . 1]" 1
263 1 49 GLU CA 1 51 TYR N . . 5.000 4.373 4.289 4.462 . 0 0 "[ . 1]" 1
264 1 49 GLU CA 1 52 CYS N . . 5.000 4.577 4.418 4.853 . 0 0 "[ . 1]" 1
265 1 49 GLU CB 1 52 CYS N . . 6.500 6.001 5.832 6.346 . 0 0 "[ . 1]" 1
266 1 49 GLU CB 1 53 GLN N . . 6.400 6.266 5.823 7.328 0.928 5 1 "[ + 1]" 1
267 1 49 GLU CG 1 59 MET N . . 6.900 6.836 5.356 9.579 2.679 4 3 "[ +.- *1]" 1
268 1 49 GLU N 1 50 SER N . . 5.000 2.816 2.755 2.897 . 0 0 "[ . 1]" 1
269 1 49 GLU N 1 51 TYR N . . 5.000 4.317 4.176 4.464 . 0 0 "[ . 1]" 1
270 1 49 GLU N 1 59 MET CB . . 5.000 5.141 4.224 7.120 2.120 10 4 "[ *. * -+]" 1
271 1 49 GLU N 1 59 MET CE . . 5.200 5.888 4.301 9.501 4.301 10 4 "[ .-* *+]" 1
272 1 50 SER CA 1 52 CYS N . . 5.000 4.424 4.307 4.509 . 0 0 "[ . 1]" 1
273 1 50 SER CA 1 53 GLN N . . 5.000 4.718 4.415 5.060 0.060 5 0 "[ . 1]" 1
274 1 50 SER CA 1 54 ARG N . . 5.300 5.616 5.047 6.825 1.525 2 2 "[ + - 1]" 1
275 1 50 SER CB 1 53 GLN N . . 6.700 6.146 5.849 6.381 . 0 0 "[ . 1]" 1
276 1 50 SER N 1 51 TYR CB . . 5.000 4.979 4.861 5.067 0.067 1 0 "[ . 1]" 1
277 1 50 SER N 1 51 TYR N . . 5.000 2.807 2.760 2.842 . 0 0 "[ . 1]" 1
278 1 50 SER N 1 52 CYS N . . 5.000 4.359 4.251 4.530 . 0 0 "[ . 1]" 1
279 1 50 SER N 1 53 GLN CB . . 5.000 5.275 4.833 5.973 0.973 5 2 "[ - + 1]" 1
280 1 50 SER N 1 53 GLN CG . . 5.000 5.047 4.651 6.059 1.059 9 1 "[ . +1]" 1
281 1 51 TYR CA 1 54 ARG N . . 5.000 4.841 4.395 6.228 1.228 2 1 "[ + . 1]" 1
282 1 51 TYR N 1 52 CYS N . . 5.000 2.833 2.767 2.896 . 0 0 "[ . 1]" 1
283 1 51 TYR N 1 54 ARG CA . . 5.900 6.075 5.515 7.775 1.875 2 2 "[ + - 1]" 1
284 1 51 TYR N 1 54 ARG CG . . 5.000 5.869 4.674 7.186 2.186 2 7 "[-+ ***** 1]" 1
285 1 52 CYS CA 1 54 ARG N . . 5.000 4.359 4.239 4.510 . 0 0 "[ . 1]" 1
286 1 52 CYS CA 1 55 GLN N . . 5.000 4.616 4.395 4.737 . 0 0 "[ . 1]" 1
287 1 52 CYS CA 1 56 GLY N . . 5.800 5.174 4.975 5.367 . 0 0 "[ . 1]" 1
288 1 52 CYS CA 1 57 VAL N . . 5.000 4.956 4.772 5.323 0.323 2 0 "[ . 1]" 1
289 1 52 CYS CB 1 54 ARG N . . 5.700 5.671 5.577 5.814 0.114 10 0 "[ . 1]" 1
290 1 52 CYS CB 1 56 GLY N . . 6.800 5.995 5.306 6.165 . 0 0 "[ . 1]" 1
291 1 52 CYS CB 1 57 VAL N . . 5.400 5.077 4.739 5.475 0.075 6 0 "[ . 1]" 1
292 1 52 CYS N 1 53 GLN CB . . 5.000 4.959 4.865 5.151 0.151 7 0 "[ . 1]" 1
293 1 52 CYS N 1 53 GLN N . . 5.000 2.793 2.738 2.862 . 0 0 "[ . 1]" 1
294 1 52 CYS N 1 54 ARG CA . . 5.300 5.482 5.182 6.147 0.847 2 1 "[ + . 1]" 1
295 1 52 CYS N 1 54 ARG CG . . 5.000 5.889 4.924 6.888 1.888 4 6 "[-* +.*** 1]" 1
296 1 52 CYS N 1 55 GLN CA . . 5.900 5.944 5.688 6.529 0.629 5 1 "[ + 1]" 1
297 1 52 CYS N 1 57 VAL CG2 . . 5.200 5.577 5.103 6.962 1.762 6 3 "[ * -+ 1]" 1
298 1 52 CYS N 1 62 LEU CD1 . . 6.500 4.724 3.704 6.490 . 0 0 "[ . 1]" 1
299 1 53 GLN CB 1 55 GLN N . . 5.600 5.612 5.465 5.802 0.202 6 0 "[ . 1]" 1
300 1 53 GLN CB 1 56 GLY N . . 6.100 5.869 5.584 6.255 0.155 6 0 "[ . 1]" 1
301 1 53 GLN N 1 54 ARG CG . . 5.300 5.752 4.994 6.498 1.198 4 4 "[ +.-** 1]" 1
302 1 53 GLN N 1 54 ARG N . . 5.000 2.819 2.747 2.886 . 0 0 "[ . 1]" 1
303 1 53 GLN N 1 56 GLY N . . 5.000 4.743 4.604 4.872 . 0 0 "[ . 1]" 1
304 1 54 ARG CA 1 56 GLY N . . 5.000 4.404 4.207 4.574 . 0 0 "[ . 1]" 1
305 1 54 ARG CG 1 56 GLY N . . 5.800 6.229 6.000 6.525 0.725 8 4 "[ *.*-+ 1]" 1
306 1 54 ARG N 1 55 GLN CA . . 5.000 4.206 4.146 4.294 . 0 0 "[ . 1]" 1
307 1 54 ARG N 1 55 GLN N . . 5.000 2.779 2.714 2.862 . 0 0 "[ . 1]" 1
308 1 54 ARG N 1 56 GLY N . . 5.000 4.269 4.034 4.442 . 0 0 "[ . 1]" 1
309 1 54 ARG N 1 57 VAL CG2 . . 6.300 7.071 6.639 8.086 1.786 6 8 "[ *-**+ ***]" 1
310 1 55 GLN CA 1 57 VAL N . . 5.000 4.468 4.389 4.552 . 0 0 "[ . 1]" 1
311 1 55 GLN CB 1 57 VAL N . . 5.000 4.514 4.370 4.755 . 0 0 "[ . 1]" 1
312 1 55 GLN N 1 56 GLY CA . . 5.000 4.165 4.125 4.223 . 0 0 "[ . 1]" 1
313 1 55 GLN N 1 56 GLY N . . 5.000 2.727 2.692 2.789 . 0 0 "[ . 1]" 1
314 1 55 GLN N 1 57 VAL CG1 . . 6.300 6.177 5.901 7.077 0.777 6 1 "[ .+ 1]" 1
315 1 55 GLN N 1 57 VAL CG2 . . 5.400 5.539 5.339 5.961 0.561 6 1 "[ .+ 1]" 1
316 1 55 GLN N 1 57 VAL N . . 5.000 4.931 4.860 5.050 0.050 2 0 "[ . 1]" 1
317 1 56 GLY N 1 57 VAL CG1 . . 5.000 4.655 4.514 5.087 0.087 6 0 "[ . 1]" 1
318 1 56 GLY N 1 57 VAL CG2 . . 5.000 4.723 4.534 4.844 . 0 0 "[ . 1]" 1
319 1 56 GLY N 1 57 VAL N . . 5.000 2.788 2.741 2.841 . 0 0 "[ . 1]" 1
320 1 57 VAL CG1 1 61 SER N . . 6.900 7.230 6.961 7.600 0.700 4 2 "[ +.- 1]" 1
321 1 57 VAL CG2 1 61 SER N . . 6.500 5.712 5.323 6.269 . 0 0 "[ . 1]" 1
322 1 57 VAL CG2 1 62 LEU N . . 6.500 5.685 5.217 6.209 . 0 0 "[ . 1]" 1
323 1 57 VAL N 1 58 PRO CD . . 5.000 4.456 4.381 4.514 . 0 0 "[ . 1]" 1
324 1 57 VAL N 1 61 SER CB . . 5.900 6.562 6.120 7.304 1.404 4 5 "[ * +.* * -]" 1
325 1 58 PRO CA 1 59 MET N . . 5.000 2.442 2.411 2.462 . 0 0 "[ . 1]" 1
326 1 58 PRO CB 1 59 MET N . . 5.000 3.219 3.098 3.334 . 0 0 "[ . 1]" 1
327 1 58 PRO CB 1 60 ASN N . . 5.000 4.497 4.117 5.131 0.131 7 0 "[ . 1]" 1
328 1 58 PRO CG 1 59 MET N . . 5.000 4.241 4.119 4.569 . 0 0 "[ . 1]" 1
329 1 58 PRO CG 1 60 ASN N . . 5.000 5.064 4.527 5.734 0.734 5 1 "[ + 1]" 1
330 1 58 PRO CG 1 61 SER N . . 6.500 5.033 4.432 5.591 . 0 0 "[ . 1]" 1
331 1 59 MET CB 1 61 SER N . . 6.500 5.614 5.446 5.902 . 0 0 "[ . 1]" 1
332 1 59 MET CE 1 60 ASN N . . 5.800 5.774 5.452 6.265 0.465 4 0 "[ . 1]" 1
333 1 59 MET N 1 60 ASN N . . 5.000 2.842 2.738 2.970 . 0 0 "[ . 1]" 1
334 1 60 ASN CB 1 62 LEU N . . 6.500 5.727 5.450 6.112 . 0 0 "[ . 1]" 1
335 1 60 ASN N 1 61 SER CB . . 5.000 4.827 4.655 4.950 . 0 0 "[ . 1]" 1
336 1 60 ASN N 1 61 SER N . . 5.000 2.740 2.691 2.803 . 0 0 "[ . 1]" 1
337 1 61 SER CA 1 93 GLU N . . 6.500 5.068 4.332 6.657 0.157 3 0 "[ . 1]" 1
338 1 61 SER N 1 62 LEU CB . . 6.500 4.978 4.688 5.172 . 0 0 "[ . 1]" 1
339 1 61 SER N 1 62 LEU CG . . 6.500 5.265 4.826 5.774 . 0 0 "[ . 1]" 1
340 1 61 SER N 1 62 LEU N . . 5.000 2.763 2.649 2.926 . 0 0 "[ . 1]" 1
341 1 61 SER N 1 93 GLU CG . . 6.500 5.355 4.489 7.681 1.181 3 1 "[ + . 1]" 1
342 1 62 LEU CA 1 92 GLN N . . 6.500 5.116 4.815 5.479 . 0 0 "[ . 1]" 1
343 1 62 LEU CA 1 93 GLU N . . 6.500 4.562 4.040 6.070 . 0 0 "[ . 1]" 1
344 1 62 LEU CB 1 93 GLU N . . 6.500 5.794 5.277 7.241 0.741 3 1 "[ + . 1]" 1
345 1 62 LEU CG 1 92 GLN N . . 6.500 6.105 5.258 6.942 0.442 10 0 "[ . 1]" 1
346 1 62 LEU N 1 63 ARG N . . 5.000 3.606 3.527 3.675 . 0 0 "[ . 1]" 1
347 1 62 LEU N 1 92 GLN CA . . 6.500 5.203 4.822 5.993 . 0 0 "[ . 1]" 1
348 1 62 LEU N 1 92 GLN CB . . 5.400 5.983 5.437 7.108 1.708 10 5 "[ -* .** +]" 1
349 1 62 LEU N 1 93 GLU CB . . 5.000 4.841 3.999 7.103 2.103 3 1 "[ + . 1]" 1
350 1 63 ARG CB 1 91 TYR N . . 6.500 5.176 4.384 5.558 . 0 0 "[ . 1]" 1
351 1 63 ARG CG 1 65 LEU N . . 6.500 5.960 5.276 6.791 0.291 8 0 "[ . 1]" 1
352 1 63 ARG CG 1 91 TYR N . . 6.500 5.561 4.681 7.000 0.500 6 1 "[ .+ 1]" 1
353 1 63 ARG CG 1 93 GLU N . . 6.500 5.529 4.070 6.964 0.464 3 0 "[ . 1]" 1
354 1 63 ARG N 1 64 PHE CA . . 6.500 4.773 4.636 4.887 . 0 0 "[ . 1]" 1
355 1 63 ARG N 1 91 TYR CA . . 6.500 4.900 4.689 5.149 . 0 0 "[ . 1]" 1
356 1 63 ARG N 1 91 TYR CB . . 6.500 5.340 4.998 5.903 . 0 0 "[ . 1]" 1
357 1 63 ARG N 1 91 TYR N . . 5.000 4.570 4.281 4.850 . 0 0 "[ . 1]" 1
358 1 63 ARG N 1 93 GLU CB . . 6.500 5.615 4.232 6.735 0.235 7 0 "[ . 1]" 1
359 1 63 ARG N 1 93 GLU CG . . 6.500 5.260 3.990 7.829 1.329 9 1 "[ . +1]" 1
360 1 63 ARG N 1 93 GLU N . . 5.700 4.998 4.316 5.984 0.284 3 0 "[ . 1]" 1
361 1 64 PHE CB 1 71 ILE N . . 6.000 6.774 5.561 7.963 1.963 10 7 "[ * *-***+]" 1
362 1 64 PHE CB 1 90 VAL N . . 6.700 5.728 5.417 6.185 . 0 0 "[ . 1]" 1
363 1 64 PHE N 1 71 ILE CD1 . . 5.900 6.295 5.507 7.553 1.653 4 3 "[ - +. *]" 1
364 1 64 PHE N 1 88 ILE CG2 . . 6.800 7.775 6.227 9.312 2.512 10 6 "[ ** *-* +]" 1
365 1 64 PHE N 1 90 VAL CG1 . . 5.000 5.566 4.656 6.751 1.751 9 6 "[ * *. *-+*]" 1
366 1 64 PHE N 1 90 VAL N . . 5.800 5.884 5.647 6.203 0.403 9 0 "[ . 1]" 1
367 1 65 LEU CA 1 70 ARG N . . 5.000 4.987 4.396 5.412 0.412 3 0 "[ . 1]" 1
368 1 65 LEU CA 1 89 GLU N . . 5.500 4.919 4.700 5.215 . 0 0 "[ . 1]" 1
369 1 65 LEU CB 1 68 GLY N . . 5.400 4.936 4.241 5.735 0.335 1 0 "[ . 1]" 1
370 1 65 LEU CB 1 70 ARG N . . 5.200 4.657 3.934 5.180 . 0 0 "[ . 1]" 1
371 1 65 LEU CB 1 89 GLU N . . 6.500 5.589 4.725 6.187 . 0 0 "[ . 1]" 1
372 1 65 LEU CD1 1 68 GLY N . . 5.000 5.074 4.026 7.231 2.231 2 2 "[-+ . 1]" 1
373 1 65 LEU CD1 1 70 ARG N . . 5.700 5.460 4.612 6.566 0.866 8 1 "[ . + 1]" 1
374 1 65 LEU CD1 1 89 GLU N . . 6.500 6.974 5.422 8.053 1.553 9 6 "[ *** * +-]" 1
375 1 65 LEU CD1 1 91 TYR N . . 6.500 6.175 5.008 7.897 1.397 9 3 "[ *-. +1]" 1
376 1 65 LEU CD2 1 68 GLY N . . 6.500 6.036 4.916 7.187 0.687 1 1 "[+ . 1]" 1
377 1 65 LEU CD2 1 70 ARG N . . 5.400 5.270 3.790 7.578 2.178 7 4 "[- *. + *1]" 1
378 1 65 LEU CG 1 68 GLY N . . 5.300 5.246 4.479 5.763 0.463 1 0 "[ . 1]" 1
379 1 65 LEU CG 1 70 ARG N . . 5.200 5.156 3.770 6.187 0.987 7 2 "[ . +- 1]" 1
380 1 65 LEU CG 1 89 GLU N . . 6.500 6.185 5.391 6.666 0.166 3 0 "[ . 1]" 1
381 1 65 LEU N 1 70 ARG CA . . 6.500 5.657 4.638 6.243 . 0 0 "[ . 1]" 1
382 1 65 LEU N 1 70 ARG CB . . 6.100 6.566 4.801 7.384 1.284 3 6 "[ + -*** *]" 1
383 1 65 LEU N 1 70 ARG CG . . 6.700 6.941 5.454 8.402 1.702 5 5 "[ * + ** -]" 1
384 1 65 LEU N 1 88 ILE CA . . 6.500 5.846 5.177 6.300 . 0 0 "[ . 1]" 1
385 1 65 LEU N 1 89 GLU CA . . 6.500 4.871 4.744 5.031 . 0 0 "[ . 1]" 1
386 1 65 LEU N 1 89 GLU CB . . 6.500 5.237 4.969 5.463 . 0 0 "[ . 1]" 1
387 1 65 LEU N 1 89 GLU CG . . 6.800 6.182 4.325 6.849 0.049 2 0 "[ . 1]" 1
388 1 66 PHE CA 1 69 GLN N . . 5.000 4.711 4.602 4.855 . 0 0 "[ . 1]" 1
389 1 66 PHE CB 1 69 GLN N . . 5.700 5.724 5.230 6.015 0.315 1 0 "[ . 1]" 1
390 1 66 PHE CB 1 88 ILE N . . 5.700 5.440 4.350 5.969 0.269 3 0 "[ . 1]" 1
391 1 66 PHE N 1 67 GLU N . . 5.000 3.461 3.311 3.574 . 0 0 "[ . 1]" 1
392 1 66 PHE N 1 69 GLN CA . . 6.500 4.797 4.671 5.003 . 0 0 "[ . 1]" 1
393 1 66 PHE N 1 69 GLN CB . . 6.500 5.364 4.792 5.735 . 0 0 "[ . 1]" 1
394 1 66 PHE N 1 69 GLN CG . . 6.500 6.434 5.688 6.845 0.345 8 0 "[ . 1]" 1
395 1 66 PHE N 1 69 GLN N . . 5.000 4.252 4.068 4.425 . 0 0 "[ . 1]" 1
396 1 66 PHE N 1 70 ARG N . . 5.500 5.197 4.935 5.502 0.002 3 0 "[ . 1]" 1
397 1 66 PHE N 1 71 ILE CD1 . . 5.000 5.484 4.441 7.839 2.839 4 3 "[* +. -1]" 1
398 1 66 PHE N 1 71 ILE CG2 . . 5.700 4.872 3.814 7.527 1.827 9 2 "[ -. +1]" 1
399 1 66 PHE N 1 88 ILE CG1 . . 5.800 5.966 4.774 7.022 1.222 10 4 "[ .- **+]" 1
400 1 66 PHE N 1 88 ILE CG2 . . 5.400 5.858 4.058 7.710 2.310 7 3 "[ * - + 1]" 1
401 1 67 GLU CB 1 69 GLN N . . 5.600 4.976 4.821 5.249 . 0 0 "[ . 1]" 1
402 1 67 GLU CG 1 69 GLN N . . 6.200 6.209 5.878 6.479 0.279 6 0 "[ . 1]" 1
403 1 67 GLU H 1 68 GLY N . . 5.000 3.370 3.285 3.470 . 0 0 "[ . 1]" 1
404 1 67 GLU N 1 68 GLY CA . . 6.500 4.180 4.130 4.219 . 0 0 "[ . 1]" 1
405 1 67 GLU N 1 68 GLY H . . 5.000 2.390 2.324 2.456 . 0 0 "[ . 1]" 1
406 1 67 GLU N 1 68 GLY N . . 5.000 2.767 2.725 2.805 . 0 0 "[ . 1]" 1
407 1 67 GLU N 1 69 GLN CG . . 6.500 5.975 5.281 6.536 0.036 4 0 "[ . 1]" 1
408 1 67 GLU N 1 69 GLN N . . 5.000 4.376 4.279 4.495 . 0 0 "[ . 1]" 1
409 1 68 GLY H 1 69 GLN N . . 5.000 3.325 3.252 3.371 . 0 0 "[ . 1]" 1
410 1 68 GLY N 1 69 GLN CA . . 5.000 4.240 4.158 4.348 . 0 0 "[ . 1]" 1
411 1 68 GLY N 1 69 GLN CB . . 5.000 4.904 4.780 5.066 0.066 5 0 "[ . 1]" 1
412 1 68 GLY N 1 69 GLN CG . . 5.000 4.993 4.788 5.320 0.320 4 0 "[ . 1]" 1
413 1 68 GLY N 1 69 GLN H . . 5.000 2.362 2.269 2.488 . 0 0 "[ . 1]" 1
414 1 68 GLY N 1 69 GLN N . . 5.000 2.787 2.715 2.880 . 0 0 "[ . 1]" 1
415 1 69 GLN N 1 70 ARG N . . 5.000 3.541 3.295 3.655 . 0 0 "[ . 1]" 1
416 1 69 GLN N 1 71 ILE CD1 . . 6.600 8.490 7.715 10.208 3.608 4 10 [***+*****-] 1
417 1 70 ARG N 1 71 ILE N . . 5.000 3.583 3.486 3.640 . 0 0 "[ . 1]" 1
418 1 71 ILE CA 1 75 HIS N . . 6.700 7.062 6.480 7.898 1.198 2 3 "[*+ . - 1]" 1
419 1 71 ILE N 1 75 HIS CB . . 6.500 7.061 6.186 8.414 1.914 2 3 "[*+ . - 1]" 1
420 1 72 ALA CA 1 74 ASN N . . 5.000 4.385 4.138 4.709 . 0 0 "[ . 1]" 1
421 1 72 ALA CA 1 75 HIS N . . 5.000 4.946 4.461 6.092 1.092 2 1 "[ + . 1]" 1
422 1 72 ALA CB 1 73 ASP N . . 5.000 3.186 3.043 3.409 . 0 0 "[ . 1]" 1
423 1 72 ALA CB 1 74 ASN N . . 5.000 4.356 3.911 4.961 . 0 0 "[ . 1]" 1
424 1 72 ALA CB 1 75 HIS N . . 5.000 4.832 4.002 6.069 1.069 2 2 "[ +- . 1]" 1
425 1 73 ASP N 1 74 ASN N . . 5.000 2.793 2.673 2.996 . 0 0 "[ . 1]" 1
426 1 73 ASP N 1 75 HIS N . . 5.000 4.444 4.218 4.964 . 0 0 "[ . 1]" 1
427 1 74 ASN CA 1 76 THR N . . 5.700 5.439 5.268 5.600 . 0 0 "[ . 1]" 1
428 1 74 ASN N 1 75 HIS CB . . 5.000 4.840 4.755 4.935 . 0 0 "[ . 1]" 1
429 1 74 ASN N 1 75 HIS N . . 5.000 2.746 2.717 2.768 . 0 0 "[ . 1]" 1
430 1 75 HIS N 1 76 THR CG2 . . 5.800 5.412 4.892 5.946 0.146 2 0 "[ . 1]" 1
431 1 75 HIS N 1 76 THR N . . 5.000 3.569 3.502 3.625 . 0 0 "[ . 1]" 1
432 1 75 HIS N 1 80 LEU CG . . 6.800 8.235 6.433 12.732 5.932 9 6 "[ *** *+-]" 1
433 1 76 THR CB 1 78 LYS N . . 5.000 4.084 3.623 4.582 . 0 0 "[ . 1]" 1
434 1 76 THR CG2 1 78 LYS N . . 5.500 5.302 4.239 6.079 0.579 5 1 "[ + 1]" 1
435 1 76 THR CG2 1 79 GLU N . . 6.000 5.365 4.254 6.347 0.347 5 0 "[ . 1]" 1
436 1 76 THR N 1 78 LYS N . . 5.400 5.228 4.948 5.608 0.208 10 0 "[ . 1]" 1
437 1 76 THR N 1 79 GLU CB . . 5.000 4.678 3.593 6.162 1.162 8 1 "[ . + 1]" 1
438 1 76 THR N 1 79 GLU CG . . 5.000 4.551 3.568 6.094 1.094 8 2 "[ . + -]" 1
439 1 76 THR N 1 79 GLU N . . 5.200 5.106 4.415 6.109 0.909 8 1 "[ . + 1]" 1
440 1 76 THR N 1 80 LEU CG . . 5.300 6.450 4.696 10.377 5.077 9 6 "[- *** *+1]" 1
441 1 77 PRO CA 1 78 LYS N . . 5.000 2.453 2.439 2.466 . 0 0 "[ . 1]" 1
442 1 77 PRO CA 1 80 LEU N . . 5.000 4.728 4.143 5.844 0.844 9 1 "[ . +1]" 1
443 1 78 LYS CA 1 80 LEU N . . 5.000 4.271 4.151 4.498 . 0 0 "[ . 1]" 1
444 1 78 LYS CB 1 80 LEU N . . 5.700 5.579 5.502 5.721 0.021 9 0 "[ . 1]" 1
445 1 78 LYS CG 1 80 LEU N . . 6.500 6.461 6.029 7.031 0.531 9 1 "[ . +1]" 1
446 1 78 LYS N 1 79 GLU CB . . 5.000 4.959 4.903 5.021 0.021 7 0 "[ . 1]" 1
447 1 78 LYS N 1 79 GLU CG . . 5.200 5.541 5.037 6.444 1.244 6 2 "[ .+ -]" 1
448 1 78 LYS N 1 79 GLU N . . 5.000 2.790 2.764 2.816 . 0 0 "[ . 1]" 1
449 1 78 LYS N 1 80 LEU CB . . 5.800 5.661 5.294 6.849 1.049 9 1 "[ . +1]" 1
450 1 78 LYS N 1 80 LEU CG . . 6.100 6.223 5.657 8.252 2.152 9 1 "[ . +1]" 1
451 1 79 GLU CA 1 81 GLY N . . 5.000 4.401 4.187 4.785 . 0 0 "[ . 1]" 1
452 1 79 GLU CB 1 81 GLY N . . 5.900 5.638 5.487 5.900 0.000 7 0 "[ . 1]" 1
453 1 79 GLU N 1 80 LEU CD1 . . 6.400 6.376 5.977 7.240 0.840 9 1 "[ . +1]" 1
454 1 79 GLU N 1 80 LEU CD2 . . 6.100 6.240 5.783 7.584 1.484 9 2 "[ .- +1]" 1
455 1 79 GLU N 1 80 LEU CG . . 5.000 5.369 4.947 6.642 1.642 9 2 "[ .- +1]" 1
456 1 79 GLU N 1 80 LEU N . . 5.000 2.738 2.704 2.802 . 0 0 "[ . 1]" 1
457 1 79 GLU N 1 81 GLY N . . 5.000 4.257 4.008 4.697 . 0 0 "[ . 1]" 1
458 1 80 LEU CA 1 82 MET N . . 5.000 4.634 4.170 5.916 0.916 3 1 "[ + . 1]" 1
459 1 80 LEU CB 1 82 MET N . . 5.000 4.834 4.262 6.566 1.566 3 1 "[ + . 1]" 1
460 1 80 LEU CD1 1 82 MET N . . 6.700 6.722 6.100 8.734 2.034 3 1 "[ + . 1]" 1
461 1 80 LEU N 1 81 GLY CA . . 5.000 4.127 4.050 4.260 . 0 0 "[ . 1]" 1
462 1 80 LEU N 1 81 GLY N . . 5.000 2.709 2.612 2.829 . 0 0 "[ . 1]" 1
463 1 80 LEU N 1 82 MET CG . . 5.800 6.034 5.369 7.265 1.465 4 4 "[ **+. -1]" 1
464 1 80 LEU N 1 82 MET N . . 5.000 5.146 4.519 6.149 1.149 3 2 "[ -+ . 1]" 1
465 1 81 GLY N 1 82 MET CA . . 5.000 4.327 4.103 4.934 . 0 0 "[ . 1]" 1
466 1 81 GLY N 1 82 MET CB . . 5.000 4.923 4.584 5.615 0.615 3 1 "[ + . 1]" 1
467 1 81 GLY N 1 82 MET CG . . 5.000 4.767 4.304 5.285 0.285 4 0 "[ . 1]" 1
468 1 81 GLY N 1 82 MET N . . 5.000 2.919 2.666 3.667 . 0 0 "[ . 1]" 1
469 1 82 MET N 1 83 GLU CG . . 5.000 4.869 4.234 6.244 1.244 6 1 "[ .+ 1]" 1
470 1 82 MET N 1 83 GLU N . . 5.000 2.889 2.651 3.625 . 0 0 "[ . 1]" 1
471 1 83 GLU CA 1 84 GLU N . . 5.000 2.457 2.442 2.486 . 0 0 "[ . 1]" 1
472 1 83 GLU CB 1 84 GLU N . . 5.000 3.251 2.911 3.465 . 0 0 "[ . 1]" 1
473 1 83 GLU CG 1 84 GLU N . . 5.000 4.583 3.971 4.799 . 0 0 "[ . 1]" 1
474 1 83 GLU N 1 84 GLU CA . . 5.000 4.438 4.170 4.968 . 0 0 "[ . 1]" 1
475 1 83 GLU N 1 84 GLU CB . . 6.200 5.398 5.082 6.186 . 0 0 "[ . 1]" 1
476 1 84 GLU CG 1 85 GLU N . . 5.000 3.971 3.526 4.597 . 0 0 "[ . 1]" 1
477 1 85 GLU N 1 86 ASP CB . . 5.800 5.454 4.846 5.939 0.139 1 0 "[ . 1]" 1
478 1 85 GLU N 1 86 ASP N . . 5.000 3.411 2.794 3.753 . 0 0 "[ . 1]" 1
479 1 86 ASP N 1 87 VAL CB . . 5.400 5.696 5.118 6.175 0.775 8 3 "[ * .- + 1]" 1
480 1 86 ASP N 1 87 VAL N . . 5.000 3.412 2.789 3.713 . 0 0 "[ . 1]" 1
481 1 86 ASP N 1 88 ILE CD1 . . 5.800 7.299 3.816 10.166 4.366 3 7 "[- +** ***1]" 1
482 1 87 VAL CG1 1 89 GLU N . . 5.400 5.762 4.234 7.855 2.455 10 3 "[- * +]" 1
483 1 87 VAL N 1 88 ILE N . . 5.000 3.336 2.816 3.575 . 0 0 "[ . 1]" 1
484 1 88 ILE CG2 1 90 VAL N . . 6.500 6.272 5.147 7.688 1.188 10 2 "[ . -+]" 1
485 1 88 ILE N 1 89 GLU N . . 5.000 3.509 3.365 3.612 . 0 0 "[ . 1]" 1
486 1 89 GLU CA 1 91 TYR N . . 6.500 5.549 5.237 5.935 . 0 0 "[ . 1]" 1
487 1 89 GLU N 1 90 VAL CA . . 6.500 4.840 4.719 4.937 . 0 0 "[ . 1]" 1
488 1 89 GLU N 1 90 VAL N . . 5.000 3.591 3.484 3.662 . 0 0 "[ . 1]" 1
489 1 91 TYR N 1 92 GLN CB . . 6.500 5.864 5.593 6.109 . 0 0 "[ . 1]" 1
490 1 91 TYR N 1 92 GLN N . . 5.000 3.593 3.537 3.662 . 0 0 "[ . 1]" 1
491 1 92 GLN N 1 93 GLU N . . 5.000 3.604 3.430 3.664 . 0 0 "[ . 1]" 1
492 1 93 GLU CB 1 96 GLY N . . 5.000 5.277 3.938 7.009 2.009 10 4 "[ * - *+]" 1
493 1 93 GLU N 1 94 GLN CB . . 6.500 5.778 5.212 6.144 . 0 0 "[ . 1]" 1
494 1 93 GLU N 1 94 GLN N . . 5.000 3.548 3.187 3.667 . 0 0 "[ . 1]" 1
495 1 94 GLN CA 1 96 GLY N . . 5.000 4.377 4.155 4.572 . 0 0 "[ . 1]" 1
496 1 94 GLN N 1 95 THR CA . . 5.000 4.194 4.073 4.412 . 0 0 "[ . 1]" 1
497 1 94 GLN N 1 95 THR N . . 5.000 2.764 2.639 2.950 . 0 0 "[ . 1]" 1
498 1 95 THR N 1 96 GLY CA . . 5.000 4.197 4.077 4.287 . 0 0 "[ . 1]" 1
499 1 95 THR N 1 96 GLY N . . 5.000 2.777 2.655 2.882 . 0 0 "[ . 1]" 1
500 1 96 GLY N 1 97 GLY CA . . 5.000 4.554 4.146 4.942 . 0 0 "[ . 1]" 1
501 1 96 GLY N 1 97 GLY N . . 5.000 3.213 2.702 3.696 . 0 0 "[ . 1]" 1
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