NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542935 |
2llh   |
18048 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2llh
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 716
_Distance_constraint_stats_list.Viol_count 1519
_Distance_constraint_stats_list.Viol_total 4565.082
_Distance_constraint_stats_list.Viol_max 1.612
_Distance_constraint_stats_list.Viol_rms 0.0835
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.1503
_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 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 1.047 0.216 1 0 "[ . 1 . 2]"
1 9 LYS 1.047 0.216 1 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.486 0.176 10 0 "[ . 1 . 2]"
1 12 GLU 1.303 0.241 11 0 "[ . 1 . 2]"
1 13 LYS 0.817 0.241 11 0 "[ . 1 . 2]"
1 14 THR 0.107 0.097 9 0 "[ . 1 . 2]"
1 15 PRO 0.486 0.097 9 0 "[ . 1 . 2]"
1 16 LYS 1.393 0.239 1 0 "[ . 1 . 2]"
1 17 THR 2.009 1.027 15 1 "[ . 1 + 2]"
1 18 PRO 0.396 0.158 15 0 "[ . 1 . 2]"
1 19 LYS 2.404 1.027 15 1 "[ . 1 + 2]"
1 20 GLY 3.982 0.373 11 0 "[ . 1 . 2]"
1 21 PRO 12.040 1.436 13 6 "[ * .* 1 -+ . ** 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 4.306 0.780 2 4 "[ +- . 1* .* 2]"
1 24 VAL 3.004 0.266 5 0 "[ . 1 . 2]"
1 25 GLU 4.722 0.717 16 3 "[ - . 1* .+ 2]"
1 26 ASP 3.498 1.198 13 2 "[ - . 1 + . 2]"
1 27 ILE 16.860 1.436 13 8 "[ * *** 1 -+ . ** 2]"
1 28 LYS 13.820 0.721 5 3 "[ *+ 1 - 2]"
1 29 ALA 3.544 0.308 16 0 "[ . 1 . 2]"
1 30 LYS 11.706 0.681 5 3 "[ *+ 1 - 2]"
1 31 MET 6.462 0.616 18 3 "[ .* 1 . +-2]"
1 32 GLN 12.354 0.616 18 3 "[ .* 1 . +-2]"
1 33 ALA 4.536 0.460 16 0 "[ . 1 . 2]"
1 34 SER 10.803 0.935 20 9 "[ * .- ****** . +]"
1 35 ILE 4.652 0.723 1 1 "[+ . 1 . 2]"
1 36 GLU 8.988 0.806 11 4 "[* *. 1+ . -2]"
1 37 LYS 10.239 1.174 15 3 "[* . 1 + -2]"
1 38 GLY 13.681 0.935 20 12 "[* **.* ****** . -+]"
1 39 GLY 2.700 1.174 15 2 "[ . 1 + -2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.736 0.131 1 0 "[ . 1 . 2]"
1 43 LYS 1.758 0.366 14 0 "[ . 1 . 2]"
1 44 VAL 7.747 0.523 18 1 "[ . 1 . + 2]"
1 45 GLU 4.268 0.409 9 0 "[ . 1 . 2]"
1 46 ALA 2.798 0.199 6 0 "[ . 1 . 2]"
1 47 LYS 22.006 1.359 13 18 "[*****- **1**+*******]"
1 48 PHE 25.016 1.359 13 18 "[****** **1**+****-**]"
1 49 ILE 1.806 0.245 17 0 "[ . 1 . 2]"
1 50 ASN 7.300 0.323 3 0 "[ . 1 . 2]"
1 51 TYR 3.554 0.430 5 0 "[ . 1 . 2]"
1 52 VAL 3.669 0.364 1 0 "[ . 1 . 2]"
1 53 LYS 8.886 1.612 12 7 "[* *. * + * * -]"
1 54 ASN 23.570 0.922 18 12 "[ -* * ********+ 2]"
1 55 CYS 6.289 0.434 13 0 "[ . 1 . 2]"
1 56 PHE 22.899 1.113 9 14 "[ -***+********* 2]"
1 57 ARG 10.368 1.612 12 7 "[* *. * + * * -]"
1 58 MET 8.607 1.113 9 6 "[* . * +1 -* * 2]"
1 59 THR 1.425 0.334 20 0 "[ . 1 . 2]"
1 60 ASP 9.850 0.820 1 5 "[+ .-* 1 * * 2]"
1 61 GLN 2.848 0.334 20 0 "[ . 1 . 2]"
1 62 GLU 7.182 0.330 16 0 "[ . 1 . 2]"
1 63 ALA 6.472 0.708 2 4 "[*+ . 1 - * 2]"
1 64 ILE 12.401 0.601 18 3 "[ .-* 1 . + 2]"
1 65 GLN 2.573 0.130 15 0 "[ . 1 . 2]"
1 66 ASP 11.871 0.606 11 2 "[ . 1+ . - 2]"
1 67 LEU 14.169 0.837 12 8 "[** . **+ * *- 2]"
1 68 TRP 3.557 0.815 18 1 "[ . 1 . + 2]"
1 69 GLN 8.100 1.152 17 6 "[ * 1 *-**+ 2]"
1 70 TRP 2.606 0.242 13 0 "[ . 1 . 2]"
1 71 ARG 7.772 0.837 12 7 "[ *-. ** + *. *]"
1 72 LYS 10.437 1.055 10 9 "[ *-. ***+ *. * *]"
1 73 SER 11.563 1.152 17 9 "[ - * * ****+ *2]"
1 74 LEU 7.177 1.055 10 3 "[ - . + . *2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLU QB 1 7 SER H . . 5.080 3.347 2.397 4.036 . 0 0 "[ . 1 . 2]" 1
2 1 7 SER QB 1 8 PHE H . . 5.610 3.165 2.404 3.992 . 0 0 "[ . 1 . 2]" 1
3 1 8 PHE HA 1 9 LYS QB . . 5.450 4.255 3.159 5.478 0.028 11 0 "[ . 1 . 2]" 1
4 1 8 PHE HB3 1 9 LYS QB . . 4.900 4.674 3.714 5.116 0.216 1 0 "[ . 1 . 2]" 1
5 1 9 LYS H 1 9 LYS QG . . 4.920 3.419 2.384 4.253 . 0 0 "[ . 1 . 2]" 1
6 1 9 LYS QB 1 10 LYS H . . 5.800 2.894 1.897 3.938 . 0 0 "[ . 1 . 2]" 1
7 1 11 GLN HB3 1 12 GLU HA . . 5.680 5.011 4.207 5.856 0.176 10 0 "[ . 1 . 2]" 1
8 1 12 GLU HA 1 13 LYS HB2 . . 5.800 5.257 4.482 6.041 0.241 11 0 "[ . 1 . 2]" 1
9 1 12 GLU HA 1 13 LYS HG2 . . 5.430 4.724 3.557 5.484 0.054 4 0 "[ . 1 . 2]" 1
10 1 12 GLU QB 1 13 LYS H . . 4.680 3.159 2.287 3.946 . 0 0 "[ . 1 . 2]" 1
11 1 13 LYS HA 1 13 LYS HG2 . . 4.130 3.149 2.405 3.901 . 0 0 "[ . 1 . 2]" 1
12 1 13 LYS HA 1 14 THR MG . . 5.080 4.300 3.635 5.004 . 0 0 "[ . 1 . 2]" 1
13 1 13 LYS HB2 1 14 THR H . . 5.390 3.421 2.006 4.546 . 0 0 "[ . 1 . 2]" 1
14 1 13 LYS HB3 1 14 THR H . . 4.860 3.950 2.247 4.624 . 0 0 "[ . 1 . 2]" 1
15 1 14 THR H 1 15 PRO HA . . 5.800 5.012 4.295 5.897 0.097 9 0 "[ . 1 . 2]" 1
16 1 14 THR HA 1 15 PRO HD2 . . 4.020 2.629 2.274 3.088 . 0 0 "[ . 1 . 2]" 1
17 1 14 THR HA 1 15 PRO HD3 . . 3.980 2.720 1.968 3.457 . 0 0 "[ . 1 . 2]" 1
18 1 14 THR MG 1 15 PRO HD2 . . 4.970 4.277 3.043 4.934 . 0 0 "[ . 1 . 2]" 1
19 1 14 THR MG 1 15 PRO HD3 . . 4.890 4.277 3.147 4.870 . 0 0 "[ . 1 . 2]" 1
20 1 15 PRO HB2 1 16 LYS QE . . 5.800 5.266 4.045 5.885 0.085 18 0 "[ . 1 . 2]" 1
21 1 16 LYS H 1 16 LYS QD . . 4.620 3.845 2.009 4.859 0.239 1 0 "[ . 1 . 2]" 1
22 1 16 LYS HA 1 16 LYS QE . . 4.400 3.330 1.914 4.443 0.043 3 0 "[ . 1 . 2]" 1
23 1 16 LYS QB 1 17 THR HA . . 5.210 4.432 3.727 4.913 . 0 0 "[ . 1 . 2]" 1
24 1 17 THR H 1 19 LYS QD . . 5.800 5.264 4.229 6.827 1.027 15 1 "[ . 1 + 2]" 1
25 1 17 THR HA 1 18 PRO QG . . 5.800 4.065 3.947 4.206 . 0 0 "[ . 1 . 2]" 1
26 1 17 THR MG 1 19 LYS QD . . 3.390 2.989 2.139 3.446 0.056 10 0 "[ . 1 . 2]" 1
27 1 18 PRO HA 1 19 LYS QB . . 5.210 4.371 3.640 5.018 . 0 0 "[ . 1 . 2]" 1
28 1 18 PRO HA 1 19 LYS QD . . 4.770 3.661 2.554 4.928 0.158 15 0 "[ . 1 . 2]" 1
29 1 18 PRO HA 1 19 LYS QG . . 5.750 4.924 3.851 5.655 . 0 0 "[ . 1 . 2]" 1
30 1 18 PRO HB2 1 19 LYS QD . . 5.800 5.189 4.785 5.922 0.122 18 0 "[ . 1 . 2]" 1
31 1 18 PRO QG 1 19 LYS HA . . 5.650 4.883 4.217 5.692 0.042 14 0 "[ . 1 . 2]" 1
32 1 19 LYS H 1 19 LYS QG . . 4.980 3.560 2.302 4.429 . 0 0 "[ . 1 . 2]" 1
33 1 19 LYS HA 1 19 LYS QD . . 4.220 3.221 2.091 4.092 . 0 0 "[ . 1 . 2]" 1
34 1 19 LYS QB 1 19 LYS QD . . 3.490 2.445 2.081 2.931 . 0 0 "[ . 1 . 2]" 1
35 1 19 LYS QB 1 19 LYS QE . . 4.580 3.177 2.029 3.950 . 0 0 "[ . 1 . 2]" 1
36 1 19 LYS QG 1 20 GLY H . . 5.720 3.972 2.959 4.904 . 0 0 "[ . 1 . 2]" 1
37 1 20 GLY H 1 21 PRO HA . . 5.100 4.658 3.871 5.473 0.373 11 0 "[ . 1 . 2]" 1
38 1 20 GLY H 1 21 PRO QB . . 5.800 5.316 3.972 6.171 0.371 3 0 "[ . 1 . 2]" 1
39 1 20 GLY H 1 21 PRO QD . . 5.320 2.558 2.005 3.598 . 0 0 "[ . 1 . 2]" 1
40 1 20 GLY HA2 1 30 LYS QB . . 5.800 5.750 4.791 5.965 0.165 16 0 "[ . 1 . 2]" 1
41 1 20 GLY HA2 1 30 LYS HG2 . . 5.070 5.092 4.350 5.209 0.139 16 0 "[ . 1 . 2]" 1
42 1 21 PRO HA 1 26 ASP HB2 . . 4.280 4.256 4.049 4.436 0.156 13 0 "[ . 1 . 2]" 1
43 1 21 PRO QB 1 26 ASP HA . . 5.700 3.773 2.931 4.999 . 0 0 "[ . 1 . 2]" 1
44 1 21 PRO QB 1 26 ASP HB2 . . 4.270 2.816 2.119 4.127 . 0 0 "[ . 1 . 2]" 1
45 1 21 PRO QD 1 26 ASP H . . 4.470 3.867 3.133 5.668 1.198 13 1 "[ . 1 + . 2]" 1
46 1 21 PRO QD 1 26 ASP HB2 . . 5.800 2.735 2.124 3.365 . 0 0 "[ . 1 . 2]" 1
47 1 21 PRO QD 1 27 ILE H . . 5.650 5.292 4.922 6.537 0.887 13 1 "[ . 1 + . 2]" 1
48 1 21 PRO QG 1 22 SER H . . 4.920 4.272 4.023 4.680 . 0 0 "[ . 1 . 2]" 1
49 1 21 PRO QG 1 23 SER H . . 5.800 4.807 2.860 5.713 . 0 0 "[ . 1 . 2]" 1
50 1 21 PRO QG 1 26 ASP HA . . 5.390 3.611 2.874 4.713 . 0 0 "[ . 1 . 2]" 1
51 1 21 PRO QG 1 26 ASP HB2 . . 5.800 3.854 2.378 4.939 . 0 0 "[ . 1 . 2]" 1
52 1 21 PRO QG 1 27 ILE H . . 5.800 6.129 4.912 7.236 1.436 13 6 "[ * .* 1 -+ . ** 2]" 1
53 1 22 SER H 1 23 SER H . . 5.150 2.832 2.170 3.799 . 0 0 "[ . 1 . 2]" 1
54 1 22 SER QB 1 23 SER H . . 5.800 3.686 2.563 4.111 . 0 0 "[ . 1 . 2]" 1
55 1 23 SER H 1 26 ASP HB2 . . 5.050 3.639 2.085 5.511 0.461 2 0 "[ . 1 . 2]" 1
56 1 23 SER H 1 26 ASP HB3 . . 5.060 3.903 2.262 5.840 0.780 2 1 "[ + . 1 . 2]" 1
57 1 23 SER HB2 1 24 VAL MG2 . . 5.800 5.007 3.534 5.617 . 0 0 "[ . 1 . 2]" 1
58 1 23 SER HB2 1 25 GLU H . . 4.390 4.047 2.915 5.107 0.717 16 3 "[ - . 1* .+ 2]" 1
59 1 23 SER HB3 1 24 VAL MG1 . . 5.700 5.595 5.066 5.783 0.083 2 0 "[ . 1 . 2]" 1
60 1 24 VAL H 1 24 VAL MG1 . . 4.060 3.809 3.703 3.941 . 0 0 "[ . 1 . 2]" 1
61 1 24 VAL H 1 24 VAL MG2 . . 4.480 2.118 1.814 2.919 . 0 0 "[ . 1 . 2]" 1
62 1 24 VAL HA 1 26 ASP H . . 5.150 3.752 3.542 4.119 . 0 0 "[ . 1 . 2]" 1
63 1 24 VAL HA 1 27 ILE H . . 4.520 3.241 2.879 3.599 . 0 0 "[ . 1 . 2]" 1
64 1 24 VAL HA 1 27 ILE MD . . 5.800 3.943 2.126 5.475 . 0 0 "[ . 1 . 2]" 1
65 1 24 VAL HA 1 27 ILE MG . . 5.420 3.244 2.088 5.052 . 0 0 "[ . 1 . 2]" 1
66 1 24 VAL HA 1 28 LYS H . . 5.780 4.199 3.914 4.510 . 0 0 "[ . 1 . 2]" 1
67 1 24 VAL HB 1 25 GLU H . . 4.250 3.038 2.799 3.225 . 0 0 "[ . 1 . 2]" 1
68 1 24 VAL MG1 1 25 GLU H . . 4.590 3.821 3.282 4.150 . 0 0 "[ . 1 . 2]" 1
69 1 24 VAL MG1 1 25 GLU QG . . 5.210 4.697 4.138 5.235 0.025 19 0 "[ . 1 . 2]" 1
70 1 24 VAL MG1 1 26 ASP H . . 5.710 4.836 4.718 4.970 . 0 0 "[ . 1 . 2]" 1
71 1 24 VAL MG1 1 27 ILE H . . 4.980 4.210 3.894 4.544 . 0 0 "[ . 1 . 2]" 1
72 1 24 VAL MG1 1 27 ILE MD . . 4.560 3.791 2.359 4.611 0.051 11 0 "[ . 1 . 2]" 1
73 1 24 VAL MG1 1 27 ILE MG . . 3.940 2.827 2.217 3.950 0.010 12 0 "[ . 1 . 2]" 1
74 1 24 VAL MG1 1 66 ASP QB . . 5.050 4.114 2.820 4.876 . 0 0 "[ . 1 . 2]" 1
75 1 24 VAL MG1 1 67 LEU HG . . 3.810 3.305 2.371 4.076 0.266 5 0 "[ . 1 . 2]" 1
76 1 24 VAL MG2 1 25 GLU H . . 4.940 4.025 3.654 4.251 . 0 0 "[ . 1 . 2]" 1
77 1 24 VAL MG2 1 25 GLU HA . . 5.740 5.631 5.413 5.753 0.013 9 0 "[ . 1 . 2]" 1
78 1 24 VAL MG2 1 25 GLU QG . . 5.750 5.127 4.589 5.759 0.009 12 0 "[ . 1 . 2]" 1
79 1 24 VAL MG2 1 26 ASP H . . 5.800 5.300 5.182 5.534 . 0 0 "[ . 1 . 2]" 1
80 1 24 VAL MG2 1 27 ILE H . . 5.800 5.163 4.892 5.649 . 0 0 "[ . 1 . 2]" 1
81 1 24 VAL MG2 1 27 ILE MG . . 5.800 4.082 3.065 5.199 . 0 0 "[ . 1 . 2]" 1
82 1 24 VAL MG2 1 63 ALA HA . . 4.140 4.033 3.195 4.233 0.093 1 0 "[ . 1 . 2]" 1
83 1 24 VAL MG2 1 63 ALA MB . . 4.070 2.402 2.044 2.776 . 0 0 "[ . 1 . 2]" 1
84 1 24 VAL MG2 1 66 ASP QB . . 5.470 4.813 3.831 5.195 . 0 0 "[ . 1 . 2]" 1
85 1 24 VAL O 1 28 LYS H . . 2.000 2.010 1.863 2.123 0.123 16 0 "[ . 1 . 2]" 1
86 1 24 VAL O 1 28 LYS N . . 3.000 3.006 2.861 3.115 0.115 16 0 "[ . 1 . 2]" 1
87 1 25 GLU H 1 25 GLU QB . . 3.650 2.452 2.298 2.704 . 0 0 "[ . 1 . 2]" 1
88 1 25 GLU H 1 25 GLU QG . . 3.830 2.311 1.847 2.998 . 0 0 "[ . 1 . 2]" 1
89 1 25 GLU H 1 26 ASP H . . 3.700 2.908 2.778 3.041 . 0 0 "[ . 1 . 2]" 1
90 1 25 GLU QB 1 26 ASP H . . 4.230 3.051 2.651 3.762 . 0 0 "[ . 1 . 2]" 1
91 1 25 GLU QB 1 26 ASP HB2 . . 5.710 4.606 4.049 5.471 . 0 0 "[ . 1 . 2]" 1
92 1 25 GLU QB 1 29 ALA MB . . 4.500 4.058 3.568 4.470 . 0 0 "[ . 1 . 2]" 1
93 1 25 GLU QG 1 26 ASP H . . 5.370 4.105 2.603 4.630 . 0 0 "[ . 1 . 2]" 1
94 1 25 GLU O 1 29 ALA H . . 2.000 2.038 1.868 2.160 0.160 5 0 "[ . 1 . 2]" 1
95 1 25 GLU O 1 29 ALA N . . 3.000 3.013 2.851 3.132 0.132 5 0 "[ . 1 . 2]" 1
96 1 26 ASP H 1 26 ASP HB2 . . 3.840 2.632 2.397 2.869 . 0 0 "[ . 1 . 2]" 1
97 1 26 ASP HA 1 27 ILE HA . . 5.730 4.728 4.603 4.893 . 0 0 "[ . 1 . 2]" 1
98 1 26 ASP HA 1 29 ALA H . . 5.260 3.608 3.218 3.963 . 0 0 "[ . 1 . 2]" 1
99 1 26 ASP HA 1 29 ALA MB . . 3.780 2.814 2.309 3.321 . 0 0 "[ . 1 . 2]" 1
100 1 26 ASP HA 1 30 LYS H . . 4.830 3.886 3.677 4.162 . 0 0 "[ . 1 . 2]" 1
101 1 26 ASP HA 1 30 LYS QB . . 4.800 4.742 4.533 4.845 0.045 6 0 "[ . 1 . 2]" 1
102 1 26 ASP HA 1 30 LYS HD3 . . 5.070 3.613 2.881 4.487 . 0 0 "[ . 1 . 2]" 1
103 1 26 ASP HB2 1 27 ILE H . . 4.380 3.841 3.688 4.027 . 0 0 "[ . 1 . 2]" 1
104 1 26 ASP HB2 1 30 LYS HD3 . . 4.990 4.634 4.058 5.047 0.057 10 0 "[ . 1 . 2]" 1
105 1 26 ASP HB3 1 27 ILE H . . 4.760 2.458 2.179 2.733 . 0 0 "[ . 1 . 2]" 1
106 1 26 ASP HB3 1 27 ILE HA . . 5.800 4.463 4.268 4.822 . 0 0 "[ . 1 . 2]" 1
107 1 26 ASP HB3 1 29 ALA MB . . 5.800 5.365 4.826 5.799 . 0 0 "[ . 1 . 2]" 1
108 1 26 ASP O 1 30 LYS H . . 2.000 1.875 1.798 2.018 0.018 7 0 "[ . 1 . 2]" 1
109 1 26 ASP O 1 30 LYS N . . 3.000 2.873 2.797 2.981 . 0 0 "[ . 1 . 2]" 1
110 1 27 ILE H 1 27 ILE MD . . 4.210 3.913 1.899 4.507 0.297 3 0 "[ . 1 . 2]" 1
111 1 27 ILE H 1 27 ILE QG . . 4.130 3.271 2.020 4.064 . 0 0 "[ . 1 . 2]" 1
112 1 27 ILE H 1 27 ILE MG . . 4.530 2.931 1.994 3.820 . 0 0 "[ . 1 . 2]" 1
113 1 27 ILE H 1 28 LYS H . . 3.990 2.726 2.518 2.838 . 0 0 "[ . 1 . 2]" 1
114 1 27 ILE H 1 28 LYS HB2 . . 5.800 4.966 4.278 6.521 0.721 5 2 "[ -+ 1 . 2]" 1
115 1 27 ILE HA 1 27 ILE MD . . 3.950 3.737 3.331 3.987 0.037 19 0 "[ . 1 . 2]" 1
116 1 27 ILE HA 1 29 ALA H . . 5.800 4.641 4.420 4.820 . 0 0 "[ . 1 . 2]" 1
117 1 27 ILE HA 1 30 LYS H . . 4.930 3.496 3.225 3.771 . 0 0 "[ . 1 . 2]" 1
118 1 27 ILE HA 1 30 LYS QB . . 4.500 2.584 2.244 3.123 . 0 0 "[ . 1 . 2]" 1
119 1 27 ILE HA 1 30 LYS HD2 . . 5.320 5.145 4.569 5.476 0.156 19 0 "[ . 1 . 2]" 1
120 1 27 ILE HA 1 30 LYS HD3 . . 5.800 3.806 2.815 5.815 0.015 20 0 "[ . 1 . 2]" 1
121 1 27 ILE HA 1 31 MET H . . 5.800 3.767 3.456 4.065 . 0 0 "[ . 1 . 2]" 1
122 1 27 ILE MD 1 27 ILE MG . . 3.410 2.192 2.076 3.233 . 0 0 "[ . 1 . 2]" 1
123 1 27 ILE MD 1 28 LYS H . . 5.370 4.821 3.865 5.211 . 0 0 "[ . 1 . 2]" 1
124 1 27 ILE MD 1 56 PHE HA . . 5.800 4.431 3.938 4.949 . 0 0 "[ . 1 . 2]" 1
125 1 27 ILE MD 1 56 PHE HB2 . . 4.620 2.935 2.220 4.092 . 0 0 "[ . 1 . 2]" 1
126 1 27 ILE MD 1 56 PHE HB3 . . 5.090 2.338 2.070 3.131 . 0 0 "[ . 1 . 2]" 1
127 1 27 ILE MD 1 57 ARG QB . . 5.800 5.834 5.530 5.933 0.133 2 0 "[ . 1 . 2]" 1
128 1 27 ILE QG 1 56 PHE HB3 . . 4.820 3.433 2.150 4.891 0.071 12 0 "[ . 1 . 2]" 1
129 1 27 ILE MG 1 28 LYS H . . 5.000 2.827 2.318 3.645 . 0 0 "[ . 1 . 2]" 1
130 1 27 ILE MG 1 28 LYS HA . . 4.070 3.626 3.254 3.874 . 0 0 "[ . 1 . 2]" 1
131 1 27 ILE MG 1 28 LYS HB2 . . 5.720 4.510 3.432 5.542 . 0 0 "[ . 1 . 2]" 1
132 1 27 ILE MG 1 28 LYS QD . . 4.220 4.042 3.410 4.190 . 0 0 "[ . 1 . 2]" 1
133 1 27 ILE MG 1 30 LYS H . . 5.100 5.163 4.843 5.404 0.304 9 0 "[ . 1 . 2]" 1
134 1 27 ILE MG 1 31 MET H . . 5.440 4.629 3.784 5.236 . 0 0 "[ . 1 . 2]" 1
135 1 27 ILE MG 1 31 MET HB2 . . 5.800 4.583 3.791 5.325 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE MG 1 52 VAL MG2 . . 4.940 3.850 2.527 4.966 0.026 16 0 "[ . 1 . 2]" 1
137 1 27 ILE MG 1 56 PHE HB2 . . 5.800 4.776 3.616 5.821 0.021 4 0 "[ . 1 . 2]" 1
138 1 27 ILE MG 1 67 LEU HB3 . . 5.220 4.551 3.933 5.189 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE MG 1 67 LEU QD . . 4.040 2.093 1.852 2.261 . 0 0 "[ . 1 . 2]" 1
140 1 27 ILE O 1 31 MET H . . 2.000 1.976 1.845 2.146 0.146 9 0 "[ . 1 . 2]" 1
141 1 27 ILE O 1 31 MET N . . 3.000 2.922 2.803 3.034 0.034 20 0 "[ . 1 . 2]" 1
142 1 28 LYS H 1 28 LYS HB2 . . 3.780 2.537 2.218 3.733 . 0 0 "[ . 1 . 2]" 1
143 1 28 LYS H 1 28 LYS HB3 . . 3.960 3.319 2.582 3.647 . 0 0 "[ . 1 . 2]" 1
144 1 28 LYS H 1 28 LYS QD . . 5.330 3.783 2.446 4.304 . 0 0 "[ . 1 . 2]" 1
145 1 28 LYS H 1 28 LYS HG2 . . 4.610 3.109 2.265 4.585 . 0 0 "[ . 1 . 2]" 1
146 1 28 LYS H 1 28 LYS HG3 . . 4.710 3.629 2.365 4.588 . 0 0 "[ . 1 . 2]" 1
147 1 28 LYS H 1 29 ALA H . . 4.150 2.879 2.717 3.036 . 0 0 "[ . 1 . 2]" 1
148 1 28 LYS HA 1 28 LYS QD . . 4.890 2.766 2.100 4.188 . 0 0 "[ . 1 . 2]" 1
149 1 28 LYS HA 1 31 MET H . . 4.840 3.678 3.298 4.049 . 0 0 "[ . 1 . 2]" 1
150 1 28 LYS HA 1 31 MET HB2 . . 4.110 2.848 2.403 3.272 . 0 0 "[ . 1 . 2]" 1
151 1 28 LYS HA 1 31 MET HB3 . . 5.650 4.461 4.002 4.914 . 0 0 "[ . 1 . 2]" 1
152 1 28 LYS HA 1 32 GLN H . . 5.570 4.164 3.490 4.541 . 0 0 "[ . 1 . 2]" 1
153 1 28 LYS HA 1 32 GLN HE22 . . 5.290 4.346 2.495 5.403 0.113 6 0 "[ . 1 . 2]" 1
154 1 28 LYS HB2 1 29 ALA H . . 4.090 2.892 2.268 4.088 . 0 0 "[ . 1 . 2]" 1
155 1 28 LYS HB3 1 29 ALA H . . 4.200 3.252 2.471 4.208 0.008 4 0 "[ . 1 . 2]" 1
156 1 28 LYS HB3 1 30 LYS H . . 5.360 5.563 5.056 6.041 0.681 5 3 "[ *+ 1 - 2]" 1
157 1 28 LYS HB3 1 32 GLN H . . 5.800 5.416 4.864 6.231 0.431 5 0 "[ . 1 . 2]" 1
158 1 28 LYS QD 1 29 ALA H . . 5.150 4.838 4.469 5.458 0.308 16 0 "[ . 1 . 2]" 1
159 1 28 LYS HG3 1 29 ALA H . . 5.540 4.363 2.924 4.863 . 0 0 "[ . 1 . 2]" 1
160 1 28 LYS HG3 1 29 ALA MB . . 5.800 5.369 3.795 5.931 0.131 15 0 "[ . 1 . 2]" 1
161 1 28 LYS HG3 1 67 LEU QD . . 4.720 4.159 2.365 5.214 0.494 1 0 "[ . 1 . 2]" 1
162 1 28 LYS O 1 32 GLN H . . 2.000 2.081 1.818 2.334 0.334 16 0 "[ . 1 . 2]" 1
163 1 28 LYS O 1 32 GLN N . . 3.000 3.025 2.827 3.195 0.195 5 0 "[ . 1 . 2]" 1
164 1 29 ALA H 1 29 ALA MB . . 3.150 2.193 2.142 2.243 . 0 0 "[ . 1 . 2]" 1
165 1 29 ALA H 1 30 LYS H . . 4.090 2.804 2.678 2.987 . 0 0 "[ . 1 . 2]" 1
166 1 29 ALA H 1 31 MET H . . 5.800 4.284 4.065 4.476 . 0 0 "[ . 1 . 2]" 1
167 1 29 ALA HA 1 31 MET H . . 5.800 4.535 4.314 4.903 . 0 0 "[ . 1 . 2]" 1
168 1 29 ALA HA 1 32 GLN H . . 4.940 3.436 2.924 3.900 . 0 0 "[ . 1 . 2]" 1
169 1 29 ALA HA 1 33 ALA MB . . 5.800 4.816 4.489 5.180 . 0 0 "[ . 1 . 2]" 1
170 1 29 ALA MB 1 30 LYS H . . 3.800 2.593 2.444 2.714 . 0 0 "[ . 1 . 2]" 1
171 1 29 ALA MB 1 32 GLN H . . 5.770 4.644 4.217 4.979 . 0 0 "[ . 1 . 2]" 1
172 1 29 ALA MB 1 33 ALA H . . 5.800 4.599 4.458 4.713 . 0 0 "[ . 1 . 2]" 1
173 1 29 ALA O 1 33 ALA H . . 2.000 2.000 1.813 2.116 0.116 4 0 "[ . 1 . 2]" 1
174 1 29 ALA O 1 33 ALA N . . 3.000 2.973 2.800 3.070 0.070 12 0 "[ . 1 . 2]" 1
175 1 30 LYS H 1 30 LYS QB . . 3.450 2.262 2.132 2.403 . 0 0 "[ . 1 . 2]" 1
176 1 30 LYS H 1 30 LYS HD2 . . 5.790 3.743 2.555 4.728 . 0 0 "[ . 1 . 2]" 1
177 1 30 LYS H 1 30 LYS HD3 . . 5.360 3.338 2.719 4.030 . 0 0 "[ . 1 . 2]" 1
178 1 30 LYS H 1 30 LYS HG2 . . 5.600 3.874 3.077 4.187 . 0 0 "[ . 1 . 2]" 1
179 1 30 LYS H 1 31 MET H . . 3.690 2.745 2.680 2.807 . 0 0 "[ . 1 . 2]" 1
180 1 30 LYS H 1 32 GLN H . . 5.800 4.207 3.897 4.546 . 0 0 "[ . 1 . 2]" 1
181 1 30 LYS H 1 33 ALA H . . 5.800 4.714 4.549 4.882 . 0 0 "[ . 1 . 2]" 1
182 1 30 LYS HA 1 30 LYS HD2 . . 4.820 3.790 2.446 4.805 . 0 0 "[ . 1 . 2]" 1
183 1 30 LYS HA 1 30 LYS HD3 . . 4.550 4.218 3.627 4.605 0.055 5 0 "[ . 1 . 2]" 1
184 1 30 LYS HA 1 30 LYS HG3 . . 3.710 2.658 2.322 3.467 . 0 0 "[ . 1 . 2]" 1
185 1 30 LYS HA 1 33 ALA H . . 4.650 3.284 2.983 3.635 . 0 0 "[ . 1 . 2]" 1
186 1 30 LYS HA 1 33 ALA MB . . 3.830 2.410 2.154 2.794 . 0 0 "[ . 1 . 2]" 1
187 1 30 LYS QB 1 31 MET H . . 3.820 2.868 2.661 2.997 . 0 0 "[ . 1 . 2]" 1
188 1 30 LYS QB 1 31 MET HA . . 5.680 4.242 4.072 4.340 . 0 0 "[ . 1 . 2]" 1
189 1 30 LYS HG2 1 31 MET H . . 5.800 5.305 4.728 5.462 . 0 0 "[ . 1 . 2]" 1
190 1 30 LYS O 1 34 SER H . . 2.000 2.014 1.877 2.164 0.164 9 0 "[ . 1 . 2]" 1
191 1 30 LYS O 1 34 SER N . . 3.000 2.971 2.851 3.063 0.063 16 0 "[ . 1 . 2]" 1
192 1 31 MET H 1 31 MET HB2 . . 3.860 2.389 2.325 2.446 . 0 0 "[ . 1 . 2]" 1
193 1 31 MET H 1 31 MET HB3 . . 4.200 3.616 3.571 3.649 . 0 0 "[ . 1 . 2]" 1
194 1 31 MET H 1 32 GLN H . . 4.030 2.797 2.671 2.981 . 0 0 "[ . 1 . 2]" 1
195 1 31 MET H 1 32 GLN HE22 . . 5.620 5.533 4.398 6.236 0.616 18 3 "[ .* 1 . +-2]" 1
196 1 31 MET HA 1 32 GLN HA . . 5.450 4.760 4.653 4.858 . 0 0 "[ . 1 . 2]" 1
197 1 31 MET HA 1 32 GLN HE22 . . 5.800 5.723 5.387 5.903 0.103 9 0 "[ . 1 . 2]" 1
198 1 31 MET HA 1 33 ALA H . . 5.800 4.528 4.335 4.687 . 0 0 "[ . 1 . 2]" 1
199 1 31 MET HA 1 35 ILE H . . 5.800 4.050 3.681 4.365 . 0 0 "[ . 1 . 2]" 1
200 1 31 MET HB2 1 32 GLN H . . 3.780 2.857 2.590 3.314 . 0 0 "[ . 1 . 2]" 1
201 1 31 MET HB2 1 34 SER H . . 5.800 5.591 5.391 5.724 . 0 0 "[ . 1 . 2]" 1
202 1 31 MET HB3 1 32 GLN H . . 5.510 3.577 3.295 4.005 . 0 0 "[ . 1 . 2]" 1
203 1 31 MET HB3 1 32 GLN HE22 . . 5.160 3.798 3.290 4.472 . 0 0 "[ . 1 . 2]" 1
204 1 31 MET HB3 1 33 ALA H . . 5.800 5.689 5.425 5.983 0.183 16 0 "[ . 1 . 2]" 1
205 1 31 MET O 1 35 ILE H . . 2.000 2.025 1.822 2.252 0.252 17 0 "[ . 1 . 2]" 1
206 1 31 MET O 1 35 ILE N . . 3.000 2.985 2.830 3.116 0.116 4 0 "[ . 1 . 2]" 1
207 1 32 GLN H 1 32 GLN HB3 . . 3.890 3.644 3.500 3.725 . 0 0 "[ . 1 . 2]" 1
208 1 32 GLN H 1 32 GLN HE21 . . 5.710 2.969 2.357 4.419 . 0 0 "[ . 1 . 2]" 1
209 1 32 GLN H 1 32 GLN HE22 . . 4.790 3.824 2.883 4.372 . 0 0 "[ . 1 . 2]" 1
210 1 32 GLN H 1 32 GLN HG3 . . 5.050 4.028 3.841 4.317 . 0 0 "[ . 1 . 2]" 1
211 1 32 GLN H 1 33 ALA H . . 3.840 2.783 2.614 2.944 . 0 0 "[ . 1 . 2]" 1
212 1 32 GLN H 1 33 ALA MB . . 5.210 4.389 4.205 4.539 . 0 0 "[ . 1 . 2]" 1
213 1 32 GLN H 1 34 SER H . . 5.520 4.238 4.030 4.435 . 0 0 "[ . 1 . 2]" 1
214 1 32 GLN HA 1 32 GLN HE22 . . 5.680 3.752 3.133 4.707 . 0 0 "[ . 1 . 2]" 1
215 1 32 GLN HA 1 32 GLN HG3 . . 4.200 3.316 2.353 3.768 . 0 0 "[ . 1 . 2]" 1
216 1 32 GLN HA 1 35 ILE H . . 4.670 3.329 2.797 3.632 . 0 0 "[ . 1 . 2]" 1
217 1 32 GLN HA 1 35 ILE HB . . 4.340 3.378 2.252 4.385 0.045 4 0 "[ . 1 . 2]" 1
218 1 32 GLN HA 1 35 ILE QG . . 5.260 4.426 2.926 5.302 0.042 1 0 "[ . 1 . 2]" 1
219 1 32 GLN HA 1 35 ILE MG . . 5.340 3.011 2.000 4.367 . 0 0 "[ . 1 . 2]" 1
220 1 32 GLN QB 1 33 ALA H . . 4.500 2.673 2.552 2.987 . 0 0 "[ . 1 . 2]" 1
221 1 32 GLN QB 1 33 ALA HA . . 4.520 4.037 3.862 4.207 . 0 0 "[ . 1 . 2]" 1
222 1 32 GLN QB 1 33 ALA MB . . 5.800 3.955 3.787 4.214 . 0 0 "[ . 1 . 2]" 1
223 1 32 GLN HB2 1 32 GLN HE22 . . 5.510 4.751 3.369 5.202 . 0 0 "[ . 1 . 2]" 1
224 1 32 GLN HB2 1 33 ALA H . . 4.030 2.765 2.599 3.134 . 0 0 "[ . 1 . 2]" 1
225 1 32 GLN HB2 1 33 ALA HA . . 4.780 4.593 4.223 4.881 0.101 7 0 "[ . 1 . 2]" 1
226 1 32 GLN HE22 1 74 LEU MD1 . . 4.570 3.853 2.155 4.606 0.036 2 0 "[ . 1 . 2]" 1
227 1 32 GLN HE22 1 74 LEU MD2 . . 4.620 3.726 2.020 4.691 0.071 7 0 "[ . 1 . 2]" 1
228 1 32 GLN HG2 1 33 ALA H . . 5.800 4.696 4.178 5.505 . 0 0 "[ . 1 . 2]" 1
229 1 32 GLN HG3 1 33 ALA H . . 5.770 5.188 5.019 5.388 . 0 0 "[ . 1 . 2]" 1
230 1 32 GLN O 1 36 GLU H . . 2.000 2.078 1.841 2.399 0.399 19 0 "[ . 1 . 2]" 1
231 1 32 GLN O 1 36 GLU N . . 3.000 3.028 2.820 3.192 0.192 12 0 "[ . 1 . 2]" 1
232 1 33 ALA H 1 33 ALA MB . . 3.080 2.217 2.182 2.259 . 0 0 "[ . 1 . 2]" 1
233 1 33 ALA H 1 34 SER H . . 4.210 2.866 2.792 2.941 . 0 0 "[ . 1 . 2]" 1
234 1 33 ALA HA 1 36 GLU H . . 4.750 3.580 3.106 3.984 . 0 0 "[ . 1 . 2]" 1
235 1 33 ALA HA 1 37 LYS H . . 5.110 3.958 3.216 4.519 . 0 0 "[ . 1 . 2]" 1
236 1 33 ALA HA 1 37 LYS HB2 . . 5.710 4.535 3.039 5.773 0.063 7 0 "[ . 1 . 2]" 1
237 1 33 ALA HA 1 37 LYS HG2 . . 5.800 4.746 3.227 5.830 0.030 20 0 "[ . 1 . 2]" 1
238 1 33 ALA MB 1 34 SER H . . 3.630 2.565 2.398 2.680 . 0 0 "[ . 1 . 2]" 1
239 1 33 ALA MB 1 34 SER HA . . 5.800 4.011 3.911 4.120 . 0 0 "[ . 1 . 2]" 1
240 1 33 ALA MB 1 34 SER QB . . 5.800 4.378 3.848 4.708 . 0 0 "[ . 1 . 2]" 1
241 1 33 ALA O 1 37 LYS H . . 2.000 2.085 1.835 2.460 0.460 16 0 "[ . 1 . 2]" 1
242 1 33 ALA O 1 37 LYS N . . 3.000 2.935 2.763 3.113 0.113 11 0 "[ . 1 . 2]" 1
243 1 34 SER H 1 35 ILE HB . . 5.790 5.134 4.823 5.701 . 0 0 "[ . 1 . 2]" 1
244 1 34 SER H 1 36 GLU H . . 5.230 4.392 4.037 4.784 . 0 0 "[ . 1 . 2]" 1
245 1 34 SER HA 1 35 ILE HA . . 5.800 4.740 4.621 4.854 . 0 0 "[ . 1 . 2]" 1
246 1 34 SER HA 1 38 GLY H . . 4.680 3.828 2.874 4.965 0.285 20 0 "[ . 1 . 2]" 1
247 1 34 SER O 1 38 GLY H . . 2.000 2.401 1.868 2.935 0.935 20 9 "[ * .- ****** . +]" 1
248 1 34 SER O 1 38 GLY N . . 3.000 3.012 2.755 3.155 0.155 8 0 "[ . 1 . 2]" 1
249 1 35 ILE H 1 35 ILE HB . . 3.570 2.458 2.301 2.740 . 0 0 "[ . 1 . 2]" 1
250 1 35 ILE H 1 35 ILE MD . . 4.880 3.959 3.404 4.532 . 0 0 "[ . 1 . 2]" 1
251 1 35 ILE H 1 35 ILE QG . . 4.080 3.167 2.205 4.087 0.007 4 0 "[ . 1 . 2]" 1
252 1 35 ILE H 1 35 ILE MG . . 4.070 3.008 1.960 3.818 . 0 0 "[ . 1 . 2]" 1
253 1 35 ILE H 1 36 GLU H . . 4.260 2.755 2.635 2.973 . 0 0 "[ . 1 . 2]" 1
254 1 35 ILE HA 1 35 ILE MD . . 4.660 3.784 3.612 3.874 . 0 0 "[ . 1 . 2]" 1
255 1 35 ILE HA 1 35 ILE MG . . 3.700 2.880 2.462 3.245 . 0 0 "[ . 1 . 2]" 1
256 1 35 ILE HB 1 36 GLU H . . 4.380 3.484 2.668 4.282 . 0 0 "[ . 1 . 2]" 1
257 1 35 ILE HB 1 37 LYS H . . 5.800 5.537 4.912 6.523 0.723 1 1 "[+ . 1 . 2]" 1
258 1 35 ILE MD 1 35 ILE MG . . 3.840 2.122 2.031 2.184 . 0 0 "[ . 1 . 2]" 1
259 1 35 ILE MD 1 36 GLU H . . 5.760 4.895 4.545 5.347 . 0 0 "[ . 1 . 2]" 1
260 1 35 ILE MD 1 36 GLU HG2 . . 5.800 5.454 5.002 5.921 0.121 6 0 "[ . 1 . 2]" 1
261 1 35 ILE MD 1 74 LEU MD1 . . 3.970 2.429 2.029 3.655 . 0 0 "[ . 1 . 2]" 1
262 1 35 ILE MD 1 74 LEU MD2 . . 4.890 3.303 2.072 4.901 0.011 12 0 "[ . 1 . 2]" 1
263 1 35 ILE QG 1 36 GLU H . . 5.800 4.196 3.642 4.374 . 0 0 "[ . 1 . 2]" 1
264 1 35 ILE QG 1 36 GLU HG2 . . 5.700 5.232 3.906 5.853 0.153 10 0 "[ . 1 . 2]" 1
265 1 35 ILE MG 1 36 GLU H . . 4.350 2.933 2.224 3.728 . 0 0 "[ . 1 . 2]" 1
266 1 35 ILE MG 1 36 GLU HA . . 4.680 3.676 3.405 3.940 . 0 0 "[ . 1 . 2]" 1
267 1 35 ILE MG 1 36 GLU QB . . 5.800 3.913 2.847 4.835 . 0 0 "[ . 1 . 2]" 1
268 1 35 ILE MG 1 36 GLU HG2 . . 5.800 3.479 2.435 4.877 . 0 0 "[ . 1 . 2]" 1
269 1 35 ILE MG 1 37 LYS H . . 5.750 4.801 4.329 5.258 . 0 0 "[ . 1 . 2]" 1
270 1 35 ILE MG 1 74 LEU MD1 . . 3.800 3.249 2.309 3.827 0.027 16 0 "[ . 1 . 2]" 1
271 1 36 GLU H 1 36 GLU HG2 . . 3.860 2.546 1.944 3.528 . 0 0 "[ . 1 . 2]" 1
272 1 36 GLU H 1 36 GLU HG3 . . 4.040 3.384 2.490 3.978 . 0 0 "[ . 1 . 2]" 1
273 1 36 GLU H 1 37 LYS H . . 3.920 2.592 2.342 2.750 . 0 0 "[ . 1 . 2]" 1
274 1 36 GLU HA 1 36 GLU HG3 . . 4.100 3.710 3.229 3.840 . 0 0 "[ . 1 . 2]" 1
275 1 36 GLU HA 1 37 LYS HG2 . . 5.800 5.499 4.285 5.883 0.083 14 0 "[ . 1 . 2]" 1
276 1 36 GLU HA 1 38 GLY H . . 4.510 4.422 3.604 5.316 0.806 11 4 "[* *. 1+ . -2]" 1
277 1 36 GLU QB 1 37 LYS H . . 3.780 3.307 2.343 3.997 0.217 16 0 "[ . 1 . 2]" 1
278 1 36 GLU HG3 1 37 LYS HG3 . . 5.800 4.798 2.692 5.862 0.062 19 0 "[ . 1 . 2]" 1
279 1 37 LYS H 1 37 LYS HB3 . . 3.680 3.718 3.587 3.904 0.224 18 0 "[ . 1 . 2]" 1
280 1 37 LYS H 1 37 LYS QD . . 5.140 4.129 3.265 4.762 . 0 0 "[ . 1 . 2]" 1
281 1 37 LYS H 1 37 LYS QE . . 5.800 4.688 3.556 5.605 . 0 0 "[ . 1 . 2]" 1
282 1 37 LYS H 1 37 LYS HG2 . . 3.840 3.486 2.579 4.071 0.231 16 0 "[ . 1 . 2]" 1
283 1 37 LYS H 1 37 LYS HG3 . . 4.960 3.101 2.207 4.364 . 0 0 "[ . 1 . 2]" 1
284 1 37 LYS H 1 38 GLY H . . 3.270 2.414 2.021 2.747 . 0 0 "[ . 1 . 2]" 1
285 1 37 LYS H 1 39 GLY H . . 4.520 4.022 3.218 5.694 1.174 15 2 "[ . 1 + -2]" 1
286 1 37 LYS HB2 1 38 GLY H . . 5.760 3.368 2.588 3.967 . 0 0 "[ . 1 . 2]" 1
287 1 37 LYS HB3 1 38 GLY H . . 5.200 4.127 3.692 4.511 . 0 0 "[ . 1 . 2]" 1
288 1 37 LYS HG2 1 38 GLY H . . 5.800 5.084 4.728 5.378 . 0 0 "[ . 1 . 2]" 1
289 1 38 GLY H 1 39 GLY H . . 3.420 2.507 1.913 3.556 0.136 19 0 "[ . 1 . 2]" 1
290 1 39 GLY H 1 40 SER H . . 4.930 3.649 2.379 4.677 . 0 0 "[ . 1 . 2]" 1
291 1 40 SER H 1 40 SER QB . . 3.870 2.800 2.187 3.476 . 0 0 "[ . 1 . 2]" 1
292 1 40 SER H 1 41 LEU H . . 5.440 4.027 1.741 4.636 . 0 0 "[ . 1 . 2]" 1
293 1 40 SER HA 1 41 LEU H . . 3.490 2.501 2.107 3.405 . 0 0 "[ . 1 . 2]" 1
294 1 40 SER QB 1 41 LEU H . . 4.400 3.081 1.959 4.075 . 0 0 "[ . 1 . 2]" 1
295 1 42 PRO HA 1 43 LYS HB3 . . 5.190 4.544 4.056 5.314 0.124 13 0 "[ . 1 . 2]" 1
296 1 42 PRO HA 1 48 PHE HA . . 5.800 5.518 4.951 5.884 0.084 19 0 "[ . 1 . 2]" 1
297 1 42 PRO QB 1 44 VAL H . . 5.570 3.225 2.795 3.724 . 0 0 "[ . 1 . 2]" 1
298 1 42 PRO HD3 1 48 PHE HA . . 4.790 4.428 3.701 4.921 0.131 1 0 "[ . 1 . 2]" 1
299 1 42 PRO HG3 1 48 PHE HA . . 4.990 3.526 2.119 4.704 . 0 0 "[ . 1 . 2]" 1
300 1 42 PRO HG3 1 51 TYR QB . . 3.710 2.922 2.182 3.708 . 0 0 "[ . 1 . 2]" 1
301 1 43 LYS H 1 43 LYS QD . . 4.920 4.470 3.255 5.046 0.126 3 0 "[ . 1 . 2]" 1
302 1 43 LYS H 1 43 LYS QE . . 5.800 4.729 3.688 6.149 0.349 14 0 "[ . 1 . 2]" 1
303 1 43 LYS H 1 44 VAL H . . 3.550 2.361 1.950 3.916 0.366 14 0 "[ . 1 . 2]" 1
304 1 43 LYS H 1 44 VAL QG . . 5.800 3.660 3.289 5.161 . 0 0 "[ . 1 . 2]" 1
305 1 43 LYS HB2 1 44 VAL H . . 5.800 4.045 2.591 4.513 . 0 0 "[ . 1 . 2]" 1
306 1 43 LYS HB3 1 44 VAL H . . 5.800 3.424 2.461 4.627 . 0 0 "[ . 1 . 2]" 1
307 1 43 LYS QE 1 44 VAL MG1 . . 5.600 5.235 4.196 5.661 0.061 11 0 "[ . 1 . 2]" 1
308 1 43 LYS HG2 1 44 VAL H . . 5.800 4.033 2.525 5.456 . 0 0 "[ . 1 . 2]" 1
309 1 44 VAL H 1 44 VAL HB . . 3.550 2.755 2.408 3.312 . 0 0 "[ . 1 . 2]" 1
310 1 44 VAL H 1 44 VAL QG . . 3.660 2.233 1.949 2.541 . 0 0 "[ . 1 . 2]" 1
311 1 44 VAL H 1 44 VAL MG2 . . 4.200 3.421 1.987 4.048 . 0 0 "[ . 1 . 2]" 1
312 1 44 VAL H 1 45 GLU H . . 5.460 4.571 4.351 4.694 . 0 0 "[ . 1 . 2]" 1
313 1 44 VAL H 1 48 PHE HA . . 5.800 5.806 5.003 6.323 0.523 18 1 "[ . 1 . + 2]" 1
314 1 44 VAL H 1 48 PHE HB3 . . 5.800 5.471 4.523 6.011 0.211 18 0 "[ . 1 . 2]" 1
315 1 44 VAL HA 1 44 VAL MG2 . . 3.740 2.345 2.208 2.515 . 0 0 "[ . 1 . 2]" 1
316 1 44 VAL HA 1 45 GLU H . . 3.570 2.210 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
317 1 44 VAL HA 1 45 GLU HB2 . . 5.800 5.240 4.114 5.804 0.004 14 0 "[ . 1 . 2]" 1
318 1 44 VAL HA 1 48 PHE H . . 5.440 5.174 5.026 5.294 . 0 0 "[ . 1 . 2]" 1
319 1 44 VAL HA 1 48 PHE HB3 . . 5.800 5.590 5.211 5.841 0.041 2 0 "[ . 1 . 2]" 1
320 1 44 VAL HB 1 45 GLU H . . 4.470 4.105 3.832 4.277 . 0 0 "[ . 1 . 2]" 1
321 1 44 VAL MG1 1 45 GLU H . . 3.530 3.417 2.255 3.939 0.409 9 0 "[ . 1 . 2]" 1
322 1 44 VAL MG1 1 45 GLU HB3 . . 5.710 5.172 3.844 5.742 0.032 9 0 "[ . 1 . 2]" 1
323 1 44 VAL MG1 1 48 PHE HB3 . . 5.800 5.399 4.917 5.805 0.005 18 0 "[ . 1 . 2]" 1
324 1 44 VAL MG2 1 45 GLU H . . 5.190 2.863 2.264 4.081 . 0 0 "[ . 1 . 2]" 1
325 1 44 VAL O 1 48 PHE H . . 2.000 1.976 1.867 2.097 0.097 12 0 "[ . 1 . 2]" 1
326 1 44 VAL O 1 48 PHE N . . 3.000 2.941 2.827 3.055 0.055 10 0 "[ . 1 . 2]" 1
327 1 45 GLU H 1 45 GLU HB2 . . 4.080 3.219 2.257 3.665 . 0 0 "[ . 1 . 2]" 1
328 1 45 GLU H 1 46 ALA H . . 4.610 3.202 2.998 3.470 . 0 0 "[ . 1 . 2]" 1
329 1 45 GLU H 1 46 ALA HA . . 5.800 5.686 5.557 5.843 0.043 14 0 "[ . 1 . 2]" 1
330 1 45 GLU H 1 46 ALA MB . . 5.800 4.808 4.588 5.060 . 0 0 "[ . 1 . 2]" 1
331 1 45 GLU HA 1 48 PHE HB3 . . 3.550 2.477 2.093 2.856 . 0 0 "[ . 1 . 2]" 1
332 1 45 GLU HA 1 49 ILE MD . . 5.800 4.251 3.825 4.584 . 0 0 "[ . 1 . 2]" 1
333 1 45 GLU HB2 1 46 ALA H . . 5.010 3.836 3.495 4.113 . 0 0 "[ . 1 . 2]" 1
334 1 45 GLU HB2 1 48 PHE H . . 5.800 5.506 5.091 5.873 0.073 15 0 "[ . 1 . 2]" 1
335 1 45 GLU HB2 1 68 TRP HE1 . . 4.470 4.099 2.895 4.568 0.098 2 0 "[ . 1 . 2]" 1
336 1 45 GLU HB3 1 46 ALA H . . 4.250 3.642 2.501 4.218 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLU HB3 1 48 PHE H . . 5.800 5.666 5.373 5.926 0.126 20 0 "[ . 1 . 2]" 1
338 1 45 GLU O 1 49 ILE H . . 2.000 1.907 1.835 2.008 0.008 5 0 "[ . 1 . 2]" 1
339 1 45 GLU O 1 49 ILE N . . 3.000 2.907 2.844 3.007 0.007 20 0 "[ . 1 . 2]" 1
340 1 46 ALA H 1 46 ALA MB . . 3.180 2.212 2.154 2.264 . 0 0 "[ . 1 . 2]" 1
341 1 46 ALA H 1 47 LYS H . . 3.970 2.814 2.655 2.953 . 0 0 "[ . 1 . 2]" 1
342 1 46 ALA H 1 47 LYS QG . . 5.490 4.509 4.005 4.989 . 0 0 "[ . 1 . 2]" 1
343 1 46 ALA H 1 49 ILE MD . . 5.640 4.366 4.064 4.905 . 0 0 "[ . 1 . 2]" 1
344 1 46 ALA HA 1 47 LYS QG . . 5.690 5.289 5.062 5.493 . 0 0 "[ . 1 . 2]" 1
345 1 46 ALA HA 1 49 ILE H . . 4.790 3.524 3.290 3.852 . 0 0 "[ . 1 . 2]" 1
346 1 46 ALA HA 1 49 ILE HB . . 3.800 2.783 2.339 3.168 . 0 0 "[ . 1 . 2]" 1
347 1 46 ALA HA 1 49 ILE MD . . 4.090 2.759 2.372 3.619 . 0 0 "[ . 1 . 2]" 1
348 1 46 ALA HA 1 49 ILE QG . . 4.810 3.926 3.384 4.285 . 0 0 "[ . 1 . 2]" 1
349 1 46 ALA HA 1 49 ILE MG . . 5.220 4.122 3.605 4.436 . 0 0 "[ . 1 . 2]" 1
350 1 46 ALA HA 1 50 ASN H . . 5.620 4.070 3.874 4.285 . 0 0 "[ . 1 . 2]" 1
351 1 46 ALA MB 1 47 LYS H . . 3.860 2.658 2.505 2.840 . 0 0 "[ . 1 . 2]" 1
352 1 46 ALA MB 1 47 LYS HA . . 5.160 4.067 3.965 4.151 . 0 0 "[ . 1 . 2]" 1
353 1 46 ALA MB 1 48 PHE H . . 5.600 4.575 4.420 4.727 . 0 0 "[ . 1 . 2]" 1
354 1 46 ALA MB 1 49 ILE H . . 5.800 4.750 4.540 4.940 . 0 0 "[ . 1 . 2]" 1
355 1 46 ALA MB 1 49 ILE MD . . 5.800 3.951 3.571 4.710 . 0 0 "[ . 1 . 2]" 1
356 1 46 ALA MB 1 49 ILE QG . . 5.370 5.139 4.734 5.400 0.030 13 0 "[ . 1 . 2]" 1
357 1 46 ALA MB 1 50 ASN QB . . 5.800 4.486 4.271 5.069 . 0 0 "[ . 1 . 2]" 1
358 1 46 ALA O 1 50 ASN H . . 2.000 2.068 1.923 2.199 0.199 6 0 "[ . 1 . 2]" 1
359 1 46 ALA O 1 50 ASN N . . 3.000 3.051 2.922 3.138 0.138 19 0 "[ . 1 . 2]" 1
360 1 47 LYS H 1 47 LYS QB . . 3.440 2.494 2.344 2.693 . 0 0 "[ . 1 . 2]" 1
361 1 47 LYS H 1 47 LYS QE . . 5.800 4.465 3.731 5.014 . 0 0 "[ . 1 . 2]" 1
362 1 47 LYS H 1 47 LYS QG . . 4.070 2.345 2.122 2.669 . 0 0 "[ . 1 . 2]" 1
363 1 47 LYS H 1 48 PHE H . . 3.410 2.571 2.372 2.714 . 0 0 "[ . 1 . 2]" 1
364 1 47 LYS H 1 48 PHE HA . . 5.800 5.216 5.064 5.342 . 0 0 "[ . 1 . 2]" 1
365 1 47 LYS H 1 49 ILE H . . 5.520 4.235 3.881 4.516 . 0 0 "[ . 1 . 2]" 1
366 1 47 LYS H 1 49 ILE QG . . 5.750 5.729 5.441 5.995 0.245 17 0 "[ . 1 . 2]" 1
367 1 47 LYS HA 1 50 ASN HD21 . . 4.880 3.232 2.457 4.732 . 0 0 "[ . 1 . 2]" 1
368 1 47 LYS QB 1 48 PHE H . . 3.910 2.695 2.516 3.654 . 0 0 "[ . 1 . 2]" 1
369 1 47 LYS QB 1 48 PHE HA . . 5.750 3.980 3.790 4.729 . 0 0 "[ . 1 . 2]" 1
370 1 47 LYS QB 1 50 ASN HD21 . . 5.490 3.910 3.063 5.489 . 0 0 "[ . 1 . 2]" 1
371 1 47 LYS QB 1 50 ASN HD22 . . 5.700 5.043 3.826 5.796 0.096 3 0 "[ . 1 . 2]" 1
372 1 47 LYS QE 1 48 PHE H . . 5.120 6.029 5.117 6.479 1.359 13 18 "[*****- **1**+*******]" 1
373 1 47 LYS QG 1 48 PHE H . . 5.800 4.010 2.543 4.261 . 0 0 "[ . 1 . 2]" 1
374 1 47 LYS QG 1 48 PHE HA . . 5.690 5.715 3.979 5.881 0.191 2 0 "[ . 1 . 2]" 1
375 1 47 LYS O 1 51 TYR H . . 2.000 1.966 1.863 2.125 0.125 7 0 "[ . 1 . 2]" 1
376 1 47 LYS O 1 51 TYR N . . 3.000 2.924 2.809 3.089 0.089 7 0 "[ . 1 . 2]" 1
377 1 48 PHE H 1 48 PHE HB2 . . 3.870 2.521 2.300 2.606 . 0 0 "[ . 1 . 2]" 1
378 1 48 PHE H 1 48 PHE HB3 . . 4.100 2.464 2.275 2.566 . 0 0 "[ . 1 . 2]" 1
379 1 48 PHE H 1 49 ILE QG . . 5.720 4.604 4.430 4.779 . 0 0 "[ . 1 . 2]" 1
380 1 48 PHE HA 1 51 TYR H . . 5.120 3.398 3.112 3.648 . 0 0 "[ . 1 . 2]" 1
381 1 48 PHE HA 1 51 TYR QB . . 4.760 2.605 2.178 3.015 . 0 0 "[ . 1 . 2]" 1
382 1 48 PHE HA 1 52 VAL H . . 5.380 3.979 3.830 4.187 . 0 0 "[ . 1 . 2]" 1
383 1 48 PHE HA 1 52 VAL HB . . 5.800 5.512 5.328 5.790 . 0 0 "[ . 1 . 2]" 1
384 1 48 PHE HA 1 52 VAL MG2 . . 5.800 4.027 3.773 4.177 . 0 0 "[ . 1 . 2]" 1
385 1 48 PHE HB2 1 49 ILE H . . 4.340 3.940 3.737 4.066 . 0 0 "[ . 1 . 2]" 1
386 1 48 PHE HB2 1 49 ILE QG . . 5.800 5.033 4.738 5.257 . 0 0 "[ . 1 . 2]" 1
387 1 48 PHE HB3 1 49 ILE H . . 5.450 2.619 2.425 2.832 . 0 0 "[ . 1 . 2]" 1
388 1 48 PHE O 1 52 VAL H . . 2.000 1.910 1.832 2.007 0.007 13 0 "[ . 1 . 2]" 1
389 1 48 PHE O 1 52 VAL N . . 3.000 2.902 2.809 3.013 0.013 16 0 "[ . 1 . 2]" 1
390 1 49 ILE H 1 49 ILE HB . . 3.220 2.401 2.305 2.563 . 0 0 "[ . 1 . 2]" 1
391 1 49 ILE H 1 49 ILE MD . . 4.390 3.441 3.259 3.670 . 0 0 "[ . 1 . 2]" 1
392 1 49 ILE H 1 49 ILE QG . . 3.990 2.262 2.105 2.381 . 0 0 "[ . 1 . 2]" 1
393 1 49 ILE H 1 49 ILE MG . . 4.660 3.776 3.728 3.812 . 0 0 "[ . 1 . 2]" 1
394 1 49 ILE H 1 50 ASN H . . 3.950 2.869 2.786 2.990 . 0 0 "[ . 1 . 2]" 1
395 1 49 ILE H 1 50 ASN QB . . 5.800 4.524 4.292 5.324 . 0 0 "[ . 1 . 2]" 1
396 1 49 ILE H 1 51 TYR H . . 5.800 4.268 4.166 4.364 . 0 0 "[ . 1 . 2]" 1
397 1 49 ILE H 1 51 TYR QB . . 5.320 5.002 4.743 5.305 . 0 0 "[ . 1 . 2]" 1
398 1 49 ILE HA 1 49 ILE MD . . 4.340 3.862 3.801 3.927 . 0 0 "[ . 1 . 2]" 1
399 1 49 ILE HA 1 49 ILE QG . . 3.790 2.362 2.268 2.478 . 0 0 "[ . 1 . 2]" 1
400 1 49 ILE HA 1 51 TYR H . . 5.800 4.482 4.300 4.669 . 0 0 "[ . 1 . 2]" 1
401 1 49 ILE HA 1 52 VAL H . . 5.630 3.470 3.197 3.744 . 0 0 "[ . 1 . 2]" 1
402 1 49 ILE HA 1 52 VAL HB . . 4.790 2.620 2.223 3.037 . 0 0 "[ . 1 . 2]" 1
403 1 49 ILE HA 1 52 VAL MG2 . . 4.470 3.421 2.860 3.752 . 0 0 "[ . 1 . 2]" 1
404 1 49 ILE HA 1 64 ILE MD . . 4.580 4.484 3.714 4.646 0.066 9 0 "[ . 1 . 2]" 1
405 1 49 ILE HB 1 49 ILE MD . . 3.520 2.381 2.324 2.490 . 0 0 "[ . 1 . 2]" 1
406 1 49 ILE HB 1 50 ASN H . . 3.600 2.721 2.534 2.924 . 0 0 "[ . 1 . 2]" 1
407 1 49 ILE HB 1 50 ASN HA . . 5.790 4.722 4.519 4.860 . 0 0 "[ . 1 . 2]" 1
408 1 49 ILE HB 1 50 ASN QB . . 5.700 4.348 4.081 4.636 . 0 0 "[ . 1 . 2]" 1
409 1 49 ILE HB 1 51 TYR H . . 5.800 5.251 5.108 5.427 . 0 0 "[ . 1 . 2]" 1
410 1 49 ILE MD 1 50 ASN H . . 5.420 4.661 4.432 4.884 . 0 0 "[ . 1 . 2]" 1
411 1 49 ILE MG 1 50 ASN H . . 4.240 3.274 3.115 3.491 . 0 0 "[ . 1 . 2]" 1
412 1 49 ILE MG 1 50 ASN HA . . 4.870 3.559 3.377 3.718 . 0 0 "[ . 1 . 2]" 1
413 1 49 ILE MG 1 53 LYS QE . . 4.110 2.902 1.896 4.090 . 0 0 "[ . 1 . 2]" 1
414 1 49 ILE MG 1 64 ILE MD . . 3.750 2.962 2.393 3.774 0.024 6 0 "[ . 1 . 2]" 1
415 1 49 ILE O 1 53 LYS H . . 2.000 1.969 1.899 2.047 0.047 19 0 "[ . 1 . 2]" 1
416 1 49 ILE O 1 53 LYS N . . 3.000 2.974 2.893 3.054 0.054 2 0 "[ . 1 . 2]" 1
417 1 50 ASN H 1 50 ASN QB . . 3.350 2.164 2.015 2.604 . 0 0 "[ . 1 . 2]" 1
418 1 50 ASN H 1 51 TYR H . . 3.950 2.891 2.761 2.982 . 0 0 "[ . 1 . 2]" 1
419 1 50 ASN H 1 52 VAL H . . 5.800 4.434 4.255 4.606 . 0 0 "[ . 1 . 2]" 1
420 1 50 ASN H 1 52 VAL HB . . 5.800 5.313 5.013 5.665 . 0 0 "[ . 1 . 2]" 1
421 1 50 ASN HA 1 53 LYS H . . 4.800 3.664 3.192 3.900 . 0 0 "[ . 1 . 2]" 1
422 1 50 ASN HA 1 53 LYS HB2 . . 4.490 2.817 2.452 3.190 . 0 0 "[ . 1 . 2]" 1
423 1 50 ASN QB 1 51 TYR H . . 4.010 2.868 2.598 3.688 . 0 0 "[ . 1 . 2]" 1
424 1 50 ASN QB 1 51 TYR HA . . 5.690 4.604 4.385 4.818 . 0 0 "[ . 1 . 2]" 1
425 1 50 ASN QB 1 52 VAL H . . 5.330 5.081 4.907 5.383 0.053 18 0 "[ . 1 . 2]" 1
426 1 50 ASN HD22 1 51 TYR H . . 4.780 4.070 3.610 4.427 . 0 0 "[ . 1 . 2]" 1
427 1 50 ASN HD22 1 51 TYR QB . . 4.130 3.962 3.233 4.233 0.103 7 0 "[ . 1 . 2]" 1
428 1 50 ASN O 1 54 ASN H . . 2.000 2.134 1.861 2.323 0.323 3 0 "[ . 1 . 2]" 1
429 1 50 ASN O 1 54 ASN N . . 3.000 2.992 2.803 3.094 0.094 11 0 "[ . 1 . 2]" 1
430 1 51 TYR H 1 51 TYR QB . . 3.710 2.192 2.084 2.276 . 0 0 "[ . 1 . 2]" 1
431 1 51 TYR H 1 52 VAL H . . 4.140 2.777 2.641 2.882 . 0 0 "[ . 1 . 2]" 1
432 1 51 TYR H 1 52 VAL MG2 . . 5.260 4.546 4.394 4.765 . 0 0 "[ . 1 . 2]" 1
433 1 51 TYR H 1 53 LYS HB2 . . 5.800 5.286 4.991 5.615 . 0 0 "[ . 1 . 2]" 1
434 1 51 TYR H 1 54 ASN H . . 5.800 4.734 4.612 4.933 . 0 0 "[ . 1 . 2]" 1
435 1 51 TYR HA 1 54 ASN HB3 . . 4.960 2.678 2.125 4.786 . 0 0 "[ . 1 . 2]" 1
436 1 51 TYR QB 1 52 VAL H . . 4.010 2.684 2.444 2.912 . 0 0 "[ . 1 . 2]" 1
437 1 51 TYR QB 1 52 VAL HB . . 5.280 4.815 4.543 5.047 . 0 0 "[ . 1 . 2]" 1
438 1 51 TYR QB 1 52 VAL MG2 . . 5.460 3.574 3.278 3.908 . 0 0 "[ . 1 . 2]" 1
439 1 51 TYR QB 1 53 LYS H . . 5.800 4.978 4.874 5.117 . 0 0 "[ . 1 . 2]" 1
440 1 51 TYR O 1 55 CYS H . . 2.000 2.073 1.883 2.430 0.430 5 0 "[ . 1 . 2]" 1
441 1 51 TYR O 1 55 CYS N . . 3.000 2.949 2.809 3.101 0.101 5 0 "[ . 1 . 2]" 1
442 1 52 VAL H 1 52 VAL HB . . 3.790 2.389 2.321 2.514 . 0 0 "[ . 1 . 2]" 1
443 1 52 VAL H 1 52 VAL MG2 . . 3.640 2.370 2.221 2.508 . 0 0 "[ . 1 . 2]" 1
444 1 52 VAL H 1 53 LYS H . . 4.960 2.850 2.721 2.993 . 0 0 "[ . 1 . 2]" 1
445 1 52 VAL H 1 53 LYS HB2 . . 5.800 4.918 4.708 5.086 . 0 0 "[ . 1 . 2]" 1
446 1 52 VAL HA 1 54 ASN HD21 . . 5.360 5.059 4.308 5.495 0.135 14 0 "[ . 1 . 2]" 1
447 1 52 VAL HA 1 55 CYS H . . 5.680 3.335 2.877 4.091 . 0 0 "[ . 1 . 2]" 1
448 1 52 VAL HA 1 56 PHE H . . 4.210 3.785 3.183 4.200 . 0 0 "[ . 1 . 2]" 1
449 1 52 VAL HA 1 56 PHE HB3 . . 5.800 5.102 3.431 5.841 0.041 7 0 "[ . 1 . 2]" 1
450 1 52 VAL HB 1 53 LYS H . . 4.080 2.681 2.534 2.852 . 0 0 "[ . 1 . 2]" 1
451 1 52 VAL HB 1 53 LYS HA . . 5.640 4.697 4.530 4.831 . 0 0 "[ . 1 . 2]" 1
452 1 52 VAL HB 1 53 LYS QG . . 3.930 3.599 3.328 3.790 . 0 0 "[ . 1 . 2]" 1
453 1 52 VAL HB 1 56 PHE H . . 5.800 5.822 5.531 6.164 0.364 1 0 "[ . 1 . 2]" 1
454 1 52 VAL MG1 1 53 LYS H . . 5.600 3.177 3.019 3.416 . 0 0 "[ . 1 . 2]" 1
455 1 52 VAL MG1 1 53 LYS HA . . 5.800 3.408 3.204 3.623 . 0 0 "[ . 1 . 2]" 1
456 1 52 VAL MG1 1 53 LYS HD2 . . 5.490 5.350 4.618 5.532 0.042 12 0 "[ . 1 . 2]" 1
457 1 52 VAL MG1 1 56 PHE H . . 5.800 3.917 3.585 4.328 . 0 0 "[ . 1 . 2]" 1
458 1 52 VAL MG1 1 56 PHE HA . . 5.800 5.663 5.074 5.884 0.084 3 0 "[ . 1 . 2]" 1
459 1 52 VAL MG1 1 56 PHE HB2 . . 5.800 4.847 2.890 5.825 0.025 6 0 "[ . 1 . 2]" 1
460 1 52 VAL MG1 1 58 MET HB2 . . 3.870 3.014 2.193 4.011 0.141 16 0 "[ . 1 . 2]" 1
461 1 52 VAL MG1 1 64 ILE MD . . 4.580 3.734 3.030 4.597 0.017 8 0 "[ . 1 . 2]" 1
462 1 52 VAL MG2 1 53 LYS H . . 4.230 4.058 3.987 4.152 . 0 0 "[ . 1 . 2]" 1
463 1 52 VAL MG2 1 54 ASN H . . 5.800 5.456 5.213 5.923 0.123 16 0 "[ . 1 . 2]" 1
464 1 52 VAL O 1 56 PHE H . . 2.000 1.987 1.798 2.180 0.180 1 0 "[ . 1 . 2]" 1
465 1 52 VAL O 1 56 PHE N . . 3.000 2.943 2.809 3.085 0.085 2 0 "[ . 1 . 2]" 1
466 1 53 LYS H 1 53 LYS HB2 . . 3.720 2.387 2.353 2.453 . 0 0 "[ . 1 . 2]" 1
467 1 53 LYS H 1 53 LYS QE . . 5.520 4.531 3.722 4.969 . 0 0 "[ . 1 . 2]" 1
468 1 53 LYS H 1 54 ASN H . . 3.670 2.771 2.656 2.922 . 0 0 "[ . 1 . 2]" 1
469 1 53 LYS H 1 55 CYS H . . 5.800 4.240 4.037 4.543 . 0 0 "[ . 1 . 2]" 1
470 1 53 LYS HA 1 53 LYS HD2 . . 4.750 4.481 3.124 4.800 0.050 8 0 "[ . 1 . 2]" 1
471 1 53 LYS HA 1 53 LYS HD3 . . 5.470 4.269 2.209 4.662 . 0 0 "[ . 1 . 2]" 1
472 1 53 LYS HA 1 56 PHE H . . 5.440 3.722 3.065 4.587 . 0 0 "[ . 1 . 2]" 1
473 1 53 LYS HA 1 57 ARG H . . 4.870 4.571 2.535 6.482 1.612 12 7 "[* *. * + * * -]" 1
474 1 53 LYS HB2 1 54 ASN H . . 4.410 3.021 2.509 3.446 . 0 0 "[ . 1 . 2]" 1
475 1 53 LYS HB3 1 53 LYS QE . . 5.130 3.256 2.080 4.207 . 0 0 "[ . 1 . 2]" 1
476 1 53 LYS QE 1 64 ILE MD . . 4.570 3.678 1.968 4.601 0.031 2 0 "[ . 1 . 2]" 1
477 1 54 ASN H 1 54 ASN HB2 . . 3.990 3.085 2.682 3.753 . 0 0 "[ . 1 . 2]" 1
478 1 54 ASN H 1 55 CYS H . . 4.030 2.654 2.288 2.877 . 0 0 "[ . 1 . 2]" 1
479 1 54 ASN H 1 55 CYS HB2 . . 4.630 4.800 4.473 5.064 0.434 13 0 "[ . 1 . 2]" 1
480 1 54 ASN H 1 56 PHE H . . 4.770 4.362 3.935 4.711 . 0 0 "[ . 1 . 2]" 1
481 1 54 ASN HA 1 54 ASN HD21 . . 4.300 4.192 3.994 4.356 0.056 17 0 "[ . 1 . 2]" 1
482 1 54 ASN HA 1 54 ASN HD22 . . 5.110 4.860 4.614 5.131 0.021 12 0 "[ . 1 . 2]" 1
483 1 54 ASN HB2 1 55 CYS H . . 4.780 4.293 4.095 4.588 . 0 0 "[ . 1 . 2]" 1
484 1 54 ASN HB3 1 55 CYS H . . 4.480 3.264 2.847 4.123 . 0 0 "[ . 1 . 2]" 1
485 1 54 ASN HB3 1 55 CYS HA . . 5.800 5.151 4.684 5.854 0.054 12 0 "[ . 1 . 2]" 1
486 1 54 ASN HB3 1 56 PHE H . . 5.360 5.633 5.272 6.108 0.748 11 5 "[ - 1+* *.* 2]" 1
487 1 54 ASN HD21 1 55 CYS H . . 4.200 2.901 2.421 3.349 . 0 0 "[ . 1 . 2]" 1
488 1 54 ASN HD21 1 55 CYS HB2 . . 5.300 3.934 2.402 4.835 . 0 0 "[ . 1 . 2]" 1
489 1 54 ASN HD21 1 55 CYS HB3 . . 5.590 4.724 3.480 5.664 0.074 12 0 "[ . 1 . 2]" 1
490 1 54 ASN HD21 1 56 PHE H . . 4.900 5.393 4.989 5.822 0.922 18 8 "[ .* * * ** * -+ 2]" 1
491 1 55 CYS H 1 55 CYS HB2 . . 3.830 2.486 2.361 2.849 . 0 0 "[ . 1 . 2]" 1
492 1 55 CYS H 1 56 PHE H . . 3.790 2.627 2.194 3.038 . 0 0 "[ . 1 . 2]" 1
493 1 55 CYS HB2 1 56 PHE H . . 4.830 3.139 2.468 4.019 . 0 0 "[ . 1 . 2]" 1
494 1 56 PHE HA 1 57 ARG QG . . 5.800 4.689 2.842 5.919 0.119 20 0 "[ . 1 . 2]" 1
495 1 56 PHE HA 1 58 MET H . . 5.140 5.007 4.102 6.253 1.113 9 4 "[ . * +1 -. * 2]" 1
496 1 56 PHE HB2 1 57 ARG H . . 5.800 4.011 3.511 4.613 . 0 0 "[ . 1 . 2]" 1
497 1 56 PHE HB3 1 58 MET H . . 5.200 4.208 3.479 5.849 0.649 7 1 "[ . + 1 . 2]" 1
498 1 57 ARG H 1 57 ARG QD . . 5.800 4.345 3.343 5.144 . 0 0 "[ . 1 . 2]" 1
499 1 57 ARG H 1 57 ARG QG . . 4.010 3.269 2.016 4.273 0.263 18 0 "[ . 1 . 2]" 1
500 1 57 ARG H 1 58 MET H . . 4.170 3.407 2.349 4.626 0.456 7 0 "[ . 1 . 2]" 1
501 1 57 ARG QB 1 58 MET H . . 5.120 3.640 1.921 4.089 . 0 0 "[ . 1 . 2]" 1
502 1 57 ARG QG 1 58 MET H . . 5.700 4.048 2.232 4.741 . 0 0 "[ . 1 . 2]" 1
503 1 58 MET H 1 58 MET HB2 . . 4.050 2.704 2.199 3.711 . 0 0 "[ . 1 . 2]" 1
504 1 58 MET H 1 59 THR H . . 5.800 3.809 1.940 4.648 . 0 0 "[ . 1 . 2]" 1
505 1 58 MET HA 1 59 THR MG . . 5.420 4.201 3.681 5.567 0.147 9 0 "[ . 1 . 2]" 1
506 1 58 MET HB2 1 59 THR H . . 5.800 3.879 2.756 4.633 . 0 0 "[ . 1 . 2]" 1
507 1 58 MET HB2 1 60 ASP H . . 4.970 4.670 3.173 5.790 0.820 1 2 "[+ . 1 - 2]" 1
508 1 58 MET HB3 1 64 ILE MD . . 5.800 3.840 2.342 4.945 . 0 0 "[ . 1 . 2]" 1
509 1 58 MET HB3 1 64 ILE QG . . 4.410 3.481 2.408 4.480 0.070 16 0 "[ . 1 . 2]" 1
510 1 59 THR H 1 59 THR MG . . 4.670 3.074 2.306 4.052 . 0 0 "[ . 1 . 2]" 1
511 1 59 THR H 1 60 ASP H . . 4.210 2.492 1.716 3.824 . 0 0 "[ . 1 . 2]" 1
512 1 59 THR H 1 60 ASP QB . . 5.800 4.453 3.790 5.862 0.062 15 0 "[ . 1 . 2]" 1
513 1 59 THR H 1 64 ILE MD . . 5.800 4.072 2.488 5.010 . 0 0 "[ . 1 . 2]" 1
514 1 59 THR HA 1 59 THR MG . . 3.160 2.534 2.277 3.231 0.071 4 0 "[ . 1 . 2]" 1
515 1 59 THR HA 1 61 GLN H . . 5.800 5.434 4.817 6.134 0.334 20 0 "[ . 1 . 2]" 1
516 1 59 THR HA 1 64 ILE MD . . 4.110 3.237 2.162 4.139 0.029 8 0 "[ . 1 . 2]" 1
517 1 59 THR MG 1 60 ASP H . . 5.430 3.904 2.716 4.422 . 0 0 "[ . 1 . 2]" 1
518 1 60 ASP H 1 60 ASP QB . . 3.870 2.387 2.253 2.535 . 0 0 "[ . 1 . 2]" 1
519 1 60 ASP H 1 61 GLN H . . 5.640 4.419 4.228 4.603 . 0 0 "[ . 1 . 2]" 1
520 1 60 ASP H 1 64 ILE HB . . 5.750 5.986 5.100 6.351 0.601 18 3 "[ .-* 1 . + 2]" 1
521 1 60 ASP H 1 64 ILE MD . . 5.680 3.841 2.861 4.330 . 0 0 "[ . 1 . 2]" 1
522 1 60 ASP HA 1 61 GLN H . . 3.390 2.200 2.117 2.331 . 0 0 "[ . 1 . 2]" 1
523 1 60 ASP HA 1 61 GLN HA . . 5.370 4.447 4.278 4.551 . 0 0 "[ . 1 . 2]" 1
524 1 60 ASP HA 1 61 GLN QB . . 5.310 4.144 4.004 4.448 . 0 0 "[ . 1 . 2]" 1
525 1 60 ASP HA 1 62 GLU H . . 5.600 3.823 3.414 4.145 . 0 0 "[ . 1 . 2]" 1
526 1 60 ASP HA 1 64 ILE MD . . 5.710 4.472 3.978 4.980 . 0 0 "[ . 1 . 2]" 1
527 1 60 ASP QB 1 61 GLN H . . 4.970 3.511 3.192 3.808 . 0 0 "[ . 1 . 2]" 1
528 1 60 ASP QB 1 62 GLU H . . 5.530 3.224 2.723 3.779 . 0 0 "[ . 1 . 2]" 1
529 1 60 ASP QB 1 63 ALA H . . 4.710 2.549 2.026 3.170 . 0 0 "[ . 1 . 2]" 1
530 1 60 ASP QB 1 63 ALA MB . . 3.890 2.399 2.078 3.116 . 0 0 "[ . 1 . 2]" 1
531 1 60 ASP QB 1 64 ILE HB . . 5.800 5.340 5.158 5.470 . 0 0 "[ . 1 . 2]" 1
532 1 60 ASP O 1 64 ILE H . . 2.000 2.008 1.894 2.134 0.134 9 0 "[ . 1 . 2]" 1
533 1 60 ASP O 1 64 ILE N . . 3.000 2.995 2.893 3.121 0.121 9 0 "[ . 1 . 2]" 1
534 1 61 GLN H 1 61 GLN HB2 . . 3.330 2.324 2.064 2.608 . 0 0 "[ . 1 . 2]" 1
535 1 61 GLN H 1 61 GLN HG2 . . 4.690 3.986 2.411 4.640 . 0 0 "[ . 1 . 2]" 1
536 1 61 GLN H 1 61 GLN HG3 . . 5.270 4.357 3.849 4.586 . 0 0 "[ . 1 . 2]" 1
537 1 61 GLN H 1 62 GLU H . . 4.170 2.818 2.599 3.013 . 0 0 "[ . 1 . 2]" 1
538 1 61 GLN H 1 63 ALA H . . 5.740 4.411 4.142 4.681 . 0 0 "[ . 1 . 2]" 1
539 1 61 GLN H 1 64 ILE H . . 5.580 4.769 4.679 4.869 . 0 0 "[ . 1 . 2]" 1
540 1 61 GLN H 1 64 ILE MD . . 5.800 3.794 3.498 4.256 . 0 0 "[ . 1 . 2]" 1
541 1 61 GLN HA 1 61 GLN HE21 . . 5.190 3.194 2.603 4.088 . 0 0 "[ . 1 . 2]" 1
542 1 61 GLN HA 1 63 ALA H . . 5.800 4.187 3.914 4.382 . 0 0 "[ . 1 . 2]" 1
543 1 61 GLN HA 1 64 ILE H . . 4.780 3.151 2.797 3.373 . 0 0 "[ . 1 . 2]" 1
544 1 61 GLN HA 1 64 ILE HB . . 3.960 2.154 2.020 2.333 . 0 0 "[ . 1 . 2]" 1
545 1 61 GLN HA 1 64 ILE MD . . 4.060 2.242 2.097 2.470 . 0 0 "[ . 1 . 2]" 1
546 1 61 GLN HA 1 64 ILE QG . . 5.800 3.386 3.150 3.673 . 0 0 "[ . 1 . 2]" 1
547 1 61 GLN HA 1 65 GLN H . . 5.210 3.759 3.557 4.109 . 0 0 "[ . 1 . 2]" 1
548 1 61 GLN HA 1 65 GLN HG2 . . 5.730 5.610 5.216 5.820 0.090 1 0 "[ . 1 . 2]" 1
549 1 61 GLN HE22 1 64 ILE HA . . 5.470 5.524 5.277 5.605 0.135 12 0 "[ . 1 . 2]" 1
550 1 61 GLN HG3 1 64 ILE MD . . 4.780 4.579 3.916 4.864 0.084 15 0 "[ . 1 . 2]" 1
551 1 61 GLN O 1 65 GLN H . . 2.000 1.924 1.801 2.046 0.046 19 0 "[ . 1 . 2]" 1
552 1 61 GLN O 1 65 GLN N . . 3.000 2.926 2.814 3.042 0.042 19 0 "[ . 1 . 2]" 1
553 1 62 GLU H 1 62 GLU HB2 . . 4.020 3.351 2.443 3.661 . 0 0 "[ . 1 . 2]" 1
554 1 62 GLU H 1 62 GLU QB . . 3.180 2.482 2.123 2.719 . 0 0 "[ . 1 . 2]" 1
555 1 62 GLU H 1 62 GLU HB3 . . 3.970 2.575 2.291 2.811 . 0 0 "[ . 1 . 2]" 1
556 1 62 GLU H 1 62 GLU HG2 . . 5.180 2.703 1.842 4.600 . 0 0 "[ . 1 . 2]" 1
557 1 62 GLU H 1 63 ALA H . . 3.690 2.874 2.710 2.987 . 0 0 "[ . 1 . 2]" 1
558 1 62 GLU H 1 63 ALA MB . . 5.190 4.616 4.415 4.762 . 0 0 "[ . 1 . 2]" 1
559 1 62 GLU HA 1 65 GLN H . . 4.760 3.775 3.588 4.021 . 0 0 "[ . 1 . 2]" 1
560 1 62 GLU HA 1 65 GLN HE22 . . 4.490 4.254 3.738 4.507 0.017 3 0 "[ . 1 . 2]" 1
561 1 62 GLU HA 1 65 GLN HG2 . . 5.800 3.056 2.854 3.491 . 0 0 "[ . 1 . 2]" 1
562 1 62 GLU HA 1 65 GLN HG3 . . 5.750 2.355 2.188 2.627 . 0 0 "[ . 1 . 2]" 1
563 1 62 GLU QB 1 63 ALA H . . 3.710 3.294 2.420 3.635 . 0 0 "[ . 1 . 2]" 1
564 1 62 GLU QB 1 64 ILE H . . 5.200 5.105 4.568 5.349 0.149 14 0 "[ . 1 . 2]" 1
565 1 62 GLU HB2 1 63 ALA H . . 4.660 3.868 3.650 4.057 . 0 0 "[ . 1 . 2]" 1
566 1 62 GLU HB3 1 63 ALA H . . 4.720 3.779 2.445 4.258 . 0 0 "[ . 1 . 2]" 1
567 1 62 GLU HG2 1 63 ALA MB . . 4.790 4.326 3.067 4.866 0.076 17 0 "[ . 1 . 2]" 1
568 1 62 GLU HG3 1 63 ALA H . . 4.850 2.801 2.103 3.800 . 0 0 "[ . 1 . 2]" 1
569 1 62 GLU HG3 1 63 ALA HA . . 5.800 3.971 3.396 5.088 . 0 0 "[ . 1 . 2]" 1
570 1 62 GLU HG3 1 63 ALA MB . . 4.070 3.448 3.008 4.118 0.048 2 0 "[ . 1 . 2]" 1
571 1 62 GLU O 1 66 ASP H . . 2.000 2.196 2.021 2.330 0.330 16 0 "[ . 1 . 2]" 1
572 1 62 GLU O 1 66 ASP N . . 3.000 3.099 2.944 3.220 0.220 8 0 "[ . 1 . 2]" 1
573 1 63 ALA H 1 63 ALA MB . . 3.270 2.292 2.242 2.329 . 0 0 "[ . 1 . 2]" 1
574 1 63 ALA H 1 64 ILE H . . 3.360 2.454 2.283 2.597 . 0 0 "[ . 1 . 2]" 1
575 1 63 ALA H 1 64 ILE HB . . 5.020 4.473 4.309 4.687 . 0 0 "[ . 1 . 2]" 1
576 1 63 ALA H 1 65 GLN H . . 5.690 4.209 3.954 4.376 . 0 0 "[ . 1 . 2]" 1
577 1 63 ALA HA 1 66 ASP H . . 4.240 3.210 2.996 3.483 . 0 0 "[ . 1 . 2]" 1
578 1 63 ALA HA 1 66 ASP QB . . 4.020 2.338 2.125 2.953 . 0 0 "[ . 1 . 2]" 1
579 1 63 ALA HA 1 67 LEU H . . 4.930 3.766 3.623 4.039 . 0 0 "[ . 1 . 2]" 1
580 1 63 ALA HA 1 67 LEU QD . . 5.610 4.800 2.856 5.824 0.214 17 0 "[ . 1 . 2]" 1
581 1 63 ALA MB 1 64 ILE H . . 3.920 2.705 2.621 2.768 . 0 0 "[ . 1 . 2]" 1
582 1 63 ALA MB 1 64 ILE HA . . 5.480 4.028 3.940 4.117 . 0 0 "[ . 1 . 2]" 1
583 1 63 ALA MB 1 64 ILE QG . . 4.210 3.389 3.155 3.577 . 0 0 "[ . 1 . 2]" 1
584 1 63 ALA MB 1 66 ASP H . . 5.160 4.493 4.334 4.742 . 0 0 "[ . 1 . 2]" 1
585 1 63 ALA MB 1 67 LEU HA . . 5.770 5.874 5.828 5.929 0.159 2 0 "[ . 1 . 2]" 1
586 1 63 ALA MB 1 67 LEU QD . . 4.330 3.812 2.661 5.038 0.708 2 4 "[*+ . 1 - * 2]" 1
587 1 63 ALA O 1 67 LEU H . . 2.000 1.885 1.821 1.972 . 0 0 "[ . 1 . 2]" 1
588 1 63 ALA O 1 67 LEU N . . 3.000 2.851 2.814 2.896 . 0 0 "[ . 1 . 2]" 1
589 1 64 ILE H 1 64 ILE HB . . 3.340 2.367 2.261 2.462 . 0 0 "[ . 1 . 2]" 1
590 1 64 ILE H 1 64 ILE MD . . 4.510 3.448 3.309 3.624 . 0 0 "[ . 1 . 2]" 1
591 1 64 ILE H 1 64 ILE QG . . 4.110 2.271 2.159 2.390 . 0 0 "[ . 1 . 2]" 1
592 1 64 ILE H 1 65 GLN H . . 3.760 2.883 2.763 2.967 . 0 0 "[ . 1 . 2]" 1
593 1 64 ILE H 1 65 GLN QB . . 5.800 5.141 5.005 5.353 . 0 0 "[ . 1 . 2]" 1
594 1 64 ILE HA 1 64 ILE QG . . 3.570 2.352 2.265 2.460 . 0 0 "[ . 1 . 2]" 1
595 1 64 ILE HA 1 65 GLN HA . . 5.800 4.674 4.612 4.705 . 0 0 "[ . 1 . 2]" 1
596 1 64 ILE HA 1 67 LEU HB3 . . 5.800 3.471 2.640 4.661 . 0 0 "[ . 1 . 2]" 1
597 1 64 ILE HA 1 68 TRP H . . 5.800 4.113 3.981 4.224 . 0 0 "[ . 1 . 2]" 1
598 1 64 ILE HB 1 65 GLN H . . 3.840 2.675 2.592 2.804 . 0 0 "[ . 1 . 2]" 1
599 1 64 ILE MD 1 64 ILE MG . . 3.650 2.104 2.069 2.134 . 0 0 "[ . 1 . 2]" 1
600 1 64 ILE MD 1 65 GLN H . . 5.590 4.602 4.522 4.770 . 0 0 "[ . 1 . 2]" 1
601 1 64 ILE MD 1 65 GLN QB . . 5.800 5.630 5.477 5.839 0.039 11 0 "[ . 1 . 2]" 1
602 1 64 ILE MD 1 65 GLN QG . . 5.700 5.743 5.628 5.805 0.105 20 0 "[ . 1 . 2]" 1
603 1 64 ILE QG 1 65 GLN H . . 5.800 4.257 4.195 4.336 . 0 0 "[ . 1 . 2]" 1
604 1 64 ILE QG 1 65 GLN QG . . 5.750 5.744 5.582 5.806 0.056 12 0 "[ . 1 . 2]" 1
605 1 64 ILE MG 1 65 GLN H . . 4.640 3.200 3.028 3.415 . 0 0 "[ . 1 . 2]" 1
606 1 64 ILE MG 1 65 GLN HA . . 5.070 3.421 3.286 3.661 . 0 0 "[ . 1 . 2]" 1
607 1 64 ILE MG 1 66 ASP H . . 5.730 5.079 4.970 5.295 . 0 0 "[ . 1 . 2]" 1
608 1 64 ILE MG 1 68 TRP H . . 5.440 4.233 4.014 4.484 . 0 0 "[ . 1 . 2]" 1
609 1 64 ILE MG 1 68 TRP HB3 . . 5.800 4.728 4.214 5.678 . 0 0 "[ . 1 . 2]" 1
610 1 64 ILE O 1 68 TRP H . . 2.000 2.006 1.877 2.175 0.175 11 0 "[ . 1 . 2]" 1
611 1 64 ILE O 1 68 TRP N . . 3.000 2.946 2.796 3.062 0.062 11 0 "[ . 1 . 2]" 1
612 1 65 GLN H 1 65 GLN QB . . 3.260 2.533 2.462 2.697 . 0 0 "[ . 1 . 2]" 1
613 1 65 GLN H 1 65 GLN HG2 . . 3.890 3.470 3.219 3.585 . 0 0 "[ . 1 . 2]" 1
614 1 65 GLN H 1 65 GLN QG . . 4.390 2.206 1.980 2.322 . 0 0 "[ . 1 . 2]" 1
615 1 65 GLN H 1 65 GLN HG3 . . 4.750 2.231 1.999 2.358 . 0 0 "[ . 1 . 2]" 1
616 1 65 GLN HA 1 69 GLN H . . 5.670 3.841 3.592 4.170 . 0 0 "[ . 1 . 2]" 1
617 1 65 GLN HA 1 69 GLN QE . . 4.710 3.196 2.779 3.525 . 0 0 "[ . 1 . 2]" 1
618 1 65 GLN QB 1 66 ASP H . . 4.420 3.714 3.595 3.810 . 0 0 "[ . 1 . 2]" 1
619 1 65 GLN QB 1 66 ASP HA . . 5.120 4.717 4.559 4.890 . 0 0 "[ . 1 . 2]" 1
620 1 65 GLN QB 1 69 GLN H . . 5.800 4.593 4.224 4.848 . 0 0 "[ . 1 . 2]" 1
621 1 65 GLN QB 1 69 GLN QE . . 4.440 2.651 2.099 3.032 . 0 0 "[ . 1 . 2]" 1
622 1 65 GLN HE21 1 66 ASP QB . . 5.800 2.622 2.371 3.153 . 0 0 "[ . 1 . 2]" 1
623 1 65 GLN HE22 1 66 ASP QB . . 5.160 3.091 2.861 3.400 . 0 0 "[ . 1 . 2]" 1
624 1 65 GLN HG3 1 66 ASP H . . 4.830 2.666 2.276 2.963 . 0 0 "[ . 1 . 2]" 1
625 1 65 GLN O 1 69 GLN H . . 2.000 1.980 1.851 2.130 0.130 15 0 "[ . 1 . 2]" 1
626 1 65 GLN O 1 69 GLN N . . 3.000 2.959 2.856 3.064 0.064 13 0 "[ . 1 . 2]" 1
627 1 66 ASP H 1 66 ASP QB . . 3.500 2.229 2.124 2.304 . 0 0 "[ . 1 . 2]" 1
628 1 66 ASP H 1 67 LEU H . . 3.790 2.688 2.594 2.781 . 0 0 "[ . 1 . 2]" 1
629 1 66 ASP H 1 67 LEU HB2 . . 5.800 4.672 4.279 5.013 . 0 0 "[ . 1 . 2]" 1
630 1 66 ASP H 1 67 LEU HB3 . . 5.620 5.447 4.543 6.226 0.606 11 2 "[ . 1+ . - 2]" 1
631 1 66 ASP H 1 67 LEU QD . . 5.780 5.161 4.101 5.726 . 0 0 "[ . 1 . 2]" 1
632 1 66 ASP H 1 68 TRP H . . 5.710 4.112 3.849 4.307 . 0 0 "[ . 1 . 2]" 1
633 1 66 ASP H 1 69 GLN QE . . 5.800 4.757 4.001 5.733 . 0 0 "[ . 1 . 2]" 1
634 1 66 ASP HA 1 68 TRP H . . 5.800 4.511 4.305 4.752 . 0 0 "[ . 1 . 2]" 1
635 1 66 ASP HA 1 69 GLN HB2 . . 4.840 3.014 2.605 4.958 0.118 13 0 "[ . 1 . 2]" 1
636 1 66 ASP HA 1 69 GLN HB3 . . 5.110 4.399 3.923 4.903 . 0 0 "[ . 1 . 2]" 1
637 1 66 ASP HA 1 70 TRP HB2 . . 5.800 5.088 4.636 5.541 . 0 0 "[ . 1 . 2]" 1
638 1 66 ASP QB 1 67 LEU H . . 4.160 2.608 2.366 2.891 . 0 0 "[ . 1 . 2]" 1
639 1 66 ASP QB 1 67 LEU HB2 . . 5.800 4.230 4.066 4.448 . 0 0 "[ . 1 . 2]" 1
640 1 66 ASP QB 1 67 LEU QD . . 5.540 4.351 2.543 5.068 . 0 0 "[ . 1 . 2]" 1
641 1 66 ASP QB 1 69 GLN H . . 5.800 5.114 4.786 5.324 . 0 0 "[ . 1 . 2]" 1
642 1 66 ASP O 1 70 TRP H . . 2.000 2.077 1.937 2.242 0.242 13 0 "[ . 1 . 2]" 1
643 1 66 ASP O 1 70 TRP N . . 3.000 3.006 2.857 3.096 0.096 13 0 "[ . 1 . 2]" 1
644 1 67 LEU H 1 67 LEU HB2 . . 3.740 2.253 2.110 2.508 . 0 0 "[ . 1 . 2]" 1
645 1 67 LEU H 1 67 LEU HG . . 4.780 3.822 2.563 4.532 . 0 0 "[ . 1 . 2]" 1
646 1 67 LEU H 1 68 TRP H . . 3.610 2.723 2.598 2.893 . 0 0 "[ . 1 . 2]" 1
647 1 67 LEU H 1 68 TRP HB2 . . 5.760 4.900 4.421 5.151 . 0 0 "[ . 1 . 2]" 1
648 1 67 LEU HA 1 67 LEU QD . . 3.640 2.229 1.941 2.920 . 0 0 "[ . 1 . 2]" 1
649 1 67 LEU HA 1 69 GLN H . . 5.090 4.596 4.307 4.842 . 0 0 "[ . 1 . 2]" 1
650 1 67 LEU HA 1 70 TRP H . . 4.350 3.325 3.024 3.766 . 0 0 "[ . 1 . 2]" 1
651 1 67 LEU HA 1 70 TRP HB2 . . 4.290 3.026 2.411 3.952 . 0 0 "[ . 1 . 2]" 1
652 1 67 LEU HA 1 70 TRP HB3 . . 4.720 2.847 2.311 4.042 . 0 0 "[ . 1 . 2]" 1
653 1 67 LEU HA 1 71 ARG H . . 5.340 4.228 3.703 5.103 . 0 0 "[ . 1 . 2]" 1
654 1 67 LEU HB2 1 68 TRP H . . 4.240 3.381 2.556 3.997 . 0 0 "[ . 1 . 2]" 1
655 1 67 LEU HB3 1 68 TRP H . . 4.770 3.033 2.409 3.638 . 0 0 "[ . 1 . 2]" 1
656 1 67 LEU QD 1 68 TRP H . . 5.800 3.824 3.099 4.250 . 0 0 "[ . 1 . 2]" 1
657 1 67 LEU HG 1 68 TRP H . . 5.650 4.947 3.751 5.415 . 0 0 "[ . 1 . 2]" 1
658 1 67 LEU O 1 71 ARG H . . 2.000 2.102 1.835 2.837 0.837 12 2 "[ . - + . 2]" 1
659 1 67 LEU O 1 71 ARG N . . 3.000 2.956 2.799 3.100 0.100 12 0 "[ . 1 . 2]" 1
660 1 68 TRP H 1 68 TRP HB2 . . 3.660 2.367 2.151 2.542 . 0 0 "[ . 1 . 2]" 1
661 1 68 TRP H 1 68 TRP HB3 . . 3.940 2.752 2.286 3.622 . 0 0 "[ . 1 . 2]" 1
662 1 68 TRP H 1 69 GLN H . . 4.030 2.855 2.707 2.989 . 0 0 "[ . 1 . 2]" 1
663 1 68 TRP H 1 69 GLN QE . . 5.010 4.356 4.000 4.906 . 0 0 "[ . 1 . 2]" 1
664 1 68 TRP H 1 70 TRP H . . 5.550 4.134 3.832 4.372 . 0 0 "[ . 1 . 2]" 1
665 1 68 TRP H 1 71 ARG H . . 5.800 4.743 4.596 5.067 . 0 0 "[ . 1 . 2]" 1
666 1 68 TRP HA 1 70 TRP H . . 5.800 4.414 4.226 4.739 . 0 0 "[ . 1 . 2]" 1
667 1 68 TRP HA 1 72 LYS H . . 5.160 4.209 3.852 4.877 . 0 0 "[ . 1 . 2]" 1
668 1 68 TRP HB2 1 69 GLN H . . 4.700 3.688 2.734 3.982 . 0 0 "[ . 1 . 2]" 1
669 1 68 TRP HB2 1 69 GLN QE . . 4.770 4.050 2.418 4.632 . 0 0 "[ . 1 . 2]" 1
670 1 68 TRP HB3 1 69 GLN H . . 5.120 2.676 2.334 3.514 . 0 0 "[ . 1 . 2]" 1
671 1 68 TRP HB3 1 69 GLN QE . . 4.930 2.828 2.397 3.512 . 0 0 "[ . 1 . 2]" 1
672 1 68 TRP O 1 72 LYS H . . 2.000 2.079 1.834 2.815 0.815 18 1 "[ . 1 . + 2]" 1
673 1 68 TRP O 1 72 LYS N . . 3.000 2.956 2.805 3.153 0.153 18 0 "[ . 1 . 2]" 1
674 1 69 GLN H 1 69 GLN HB2 . . 3.500 2.454 2.102 3.665 0.165 13 0 "[ . 1 . 2]" 1
675 1 69 GLN H 1 69 GLN QE . . 4.960 2.712 2.356 3.417 . 0 0 "[ . 1 . 2]" 1
676 1 69 GLN H 1 69 GLN QG . . 4.450 3.154 2.014 3.738 . 0 0 "[ . 1 . 2]" 1
677 1 69 GLN H 1 70 TRP H . . 4.090 2.763 2.642 2.864 . 0 0 "[ . 1 . 2]" 1
678 1 69 GLN HA 1 69 GLN QE . . 5.710 3.569 2.633 4.298 . 0 0 "[ . 1 . 2]" 1
679 1 69 GLN HA 1 71 ARG H . . 5.800 4.275 3.629 4.787 . 0 0 "[ . 1 . 2]" 1
680 1 69 GLN HA 1 72 LYS H . . 5.450 3.214 2.854 3.792 . 0 0 "[ . 1 . 2]" 1
681 1 69 GLN HA 1 72 LYS HB3 . . 5.800 3.606 2.186 5.701 . 0 0 "[ . 1 . 2]" 1
682 1 69 GLN HA 1 72 LYS QG . . 5.800 3.684 2.080 4.654 . 0 0 "[ . 1 . 2]" 1
683 1 69 GLN HB2 1 70 TRP H . . 4.940 3.003 2.572 4.079 . 0 0 "[ . 1 . 2]" 1
684 1 69 GLN HB2 1 70 TRP HA . . 5.800 4.807 4.242 5.215 . 0 0 "[ . 1 . 2]" 1
685 1 69 GLN HB3 1 70 TRP H . . 4.840 3.628 3.114 4.373 . 0 0 "[ . 1 . 2]" 1
686 1 69 GLN QG 1 70 TRP H . . 4.790 4.421 2.742 4.819 0.029 9 0 "[ . 1 . 2]" 1
687 1 69 GLN O 1 73 SER H . . 2.000 2.298 1.791 3.152 1.152 17 6 "[ * 1 *-**+ 2]" 1
688 1 69 GLN O 1 73 SER N . . 3.000 3.009 2.801 3.139 0.139 2 0 "[ . 1 . 2]" 1
689 1 70 TRP H 1 70 TRP HB2 . . 3.590 2.335 2.081 2.674 . 0 0 "[ . 1 . 2]" 1
690 1 70 TRP H 1 70 TRP HB3 . . 3.720 2.815 2.421 3.507 . 0 0 "[ . 1 . 2]" 1
691 1 70 TRP H 1 71 ARG H . . 3.540 2.785 2.644 2.983 . 0 0 "[ . 1 . 2]" 1
692 1 70 TRP HB2 1 71 ARG H . . 4.030 3.867 3.178 4.143 0.113 12 0 "[ . 1 . 2]" 1
693 1 70 TRP HB3 1 71 ARG H . . 4.840 2.976 2.465 4.306 . 0 0 "[ . 1 . 2]" 1
694 1 71 ARG H 1 72 LYS H . . 4.130 2.623 2.034 2.922 . 0 0 "[ . 1 . 2]" 1
695 1 71 ARG H 1 72 LYS HB3 . . 5.800 5.566 4.396 6.486 0.686 9 5 "[ *-. +1 *. *]" 1
696 1 71 ARG H 1 73 SER H . . 5.590 4.041 3.612 4.401 . 0 0 "[ . 1 . 2]" 1
697 1 72 LYS H 1 72 LYS QE . . 5.520 4.992 3.567 6.155 0.635 8 3 "[ . -+ 1 . * 2]" 1
698 1 72 LYS H 1 72 LYS QG . . 4.220 3.120 2.206 4.138 . 0 0 "[ . 1 . 2]" 1
699 1 72 LYS H 1 73 SER H . . 3.930 2.627 2.233 3.045 . 0 0 "[ . 1 . 2]" 1
700 1 72 LYS HA 1 72 LYS QE . . 4.930 4.043 2.421 4.722 . 0 0 "[ . 1 . 2]" 1
701 1 72 LYS HA 1 74 LEU H . . 5.520 4.079 3.393 6.575 1.055 10 1 "[ . + . 2]" 1
702 1 72 LYS HB2 1 72 LYS QE . . 4.440 3.486 2.101 4.411 . 0 0 "[ . 1 . 2]" 1
703 1 72 LYS HB2 1 73 SER H . . 5.800 3.742 2.870 4.514 . 0 0 "[ . 1 . 2]" 1
704 1 72 LYS HB3 1 73 SER H . . 5.330 3.655 2.242 4.682 . 0 0 "[ . 1 . 2]" 1
705 1 73 SER H 1 74 LEU H . . 4.010 3.006 2.108 4.140 0.130 10 0 "[ . 1 . 2]" 1
706 1 73 SER H 1 74 LEU QB . . 5.800 4.644 3.583 5.598 . 0 0 "[ . 1 . 2]" 1
707 1 73 SER H 1 74 LEU MD1 . . 5.230 5.267 3.730 6.061 0.831 10 3 "[ - . + . *2]" 1
708 1 73 SER HA 1 74 LEU HA . . 5.800 4.655 4.378 5.371 . 0 0 "[ . 1 . 2]" 1
709 1 73 SER HA 1 74 LEU QB . . 5.160 4.820 3.859 5.255 0.095 20 0 "[ . 1 . 2]" 1
710 1 73 SER HB2 1 74 LEU H . . 5.800 4.014 2.476 4.511 . 0 0 "[ . 1 . 2]" 1
711 1 73 SER HB3 1 74 LEU H . . 5.610 4.324 3.250 4.577 . 0 0 "[ . 1 . 2]" 1
712 1 74 LEU H 1 74 LEU QB . . 3.420 2.505 2.237 3.354 . 0 0 "[ . 1 . 2]" 1
713 1 74 LEU H 1 74 LEU MD1 . . 4.630 3.982 3.519 4.514 . 0 0 "[ . 1 . 2]" 1
714 1 74 LEU H 1 74 LEU MD2 . . 4.700 3.757 2.299 4.387 . 0 0 "[ . 1 . 2]" 1
715 1 74 LEU H 1 74 LEU HG . . 4.230 3.173 2.308 4.540 0.310 10 0 "[ . 1 . 2]" 1
716 1 74 LEU HA 1 74 LEU MD2 . . 3.620 2.489 2.102 3.747 0.127 4 0 "[ . 1 . 2]" 1
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