NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567013 |
2me0   |
19511 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2me0
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 782
_Distance_constraint_stats_list.Viol_count 1973
_Distance_constraint_stats_list.Viol_total 3708.718
_Distance_constraint_stats_list.Viol_max 0.979
_Distance_constraint_stats_list.Viol_rms 0.0553
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0940
_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 8 ARG 6.469 0.667 12 4 "[-* . 1 + . *2]"
1 9 ARG 2.692 0.495 16 0 "[ . 1 . 2]"
1 10 ARG 13.484 0.925 13 10 "[ **- 1 *+**** *]"
1 11 ARG 14.224 0.925 13 9 "[ **- 1 *+ *** *]"
1 12 THR 6.280 0.129 13 0 "[ . 1 . 2]"
1 13 ALA 1.855 0.118 18 0 "[ . 1 . 2]"
1 14 PHE 9.666 0.106 14 0 "[ . 1 . 2]"
1 15 THR 5.537 0.120 20 0 "[ . 1 . 2]"
1 16 SER 15.796 0.955 17 9 "[ . ** 1* * **+- *]"
1 17 GLU 8.516 0.948 11 7 "[ . * 1+ * ** - *]"
1 18 GLN 0.956 0.098 17 0 "[ . 1 . 2]"
1 19 LEU 9.915 0.955 17 9 "[ . ** 1* * -*+* *]"
1 20 LEU 6.927 0.322 8 0 "[ . 1 . 2]"
1 21 GLU 3.385 0.367 16 0 "[ . 1 . 2]"
1 22 LEU 3.572 0.367 16 0 "[ . 1 . 2]"
1 23 GLU 4.187 0.101 11 0 "[ . 1 . 2]"
1 24 LYS 4.308 0.644 4 2 "[ +. 1 . -2]"
1 25 GLU 2.924 0.117 20 0 "[ . 1 . 2]"
1 26 PHE 1.834 0.110 1 0 "[ . 1 . 2]"
1 27 HIS 6.144 0.644 4 2 "[ +. 1 . -2]"
1 28 CYS 2.282 0.117 20 0 "[ . 1 . 2]"
1 29 LYS 5.096 0.107 13 0 "[ . 1 . 2]"
1 30 LYS 5.933 0.250 7 0 "[ . 1 . 2]"
1 31 TYR 3.690 0.250 7 0 "[ . 1 . 2]"
1 32 LEU 5.880 0.177 3 0 "[ . 1 . 2]"
1 33 SER 0.947 0.109 11 0 "[ . 1 . 2]"
1 34 LEU 1.060 0.098 8 0 "[ . 1 . 2]"
1 35 THR 3.977 0.687 2 3 "[ + . -1 . * 2]"
1 36 GLU 6.982 0.525 5 2 "[ + 1 - . 2]"
1 37 ARG 7.613 0.525 5 2 "[ + 1 - . 2]"
1 38 SER 0.530 0.098 4 0 "[ . 1 . 2]"
1 39 GLN 7.649 0.687 2 3 "[ + . -1 . * 2]"
1 40 ILE 6.432 0.282 9 0 "[ . 1 . 2]"
1 41 ALA 2.172 0.106 1 0 "[ . 1 . 2]"
1 42 HIS 1.114 0.091 6 0 "[ . 1 . 2]"
1 43 ALA 1.861 0.121 10 0 "[ . 1 . 2]"
1 44 LEU 9.569 0.979 3 4 "[ + . - 1 * . * 2]"
1 45 LYS 8.993 0.979 3 5 "[ + . * 1 *- . * 2]"
1 46 LEU 7.088 0.106 18 0 "[ . 1 . 2]"
1 47 SER 3.565 0.674 1 1 "[+ . 1 . 2]"
1 48 GLU 0.987 0.100 17 0 "[ . 1 . 2]"
1 49 VAL 2.083 0.349 11 0 "[ . 1 . 2]"
1 50 GLN 6.833 0.105 20 0 "[ . 1 . 2]"
1 51 VAL 6.602 0.674 1 1 "[+ . 1 . 2]"
1 52 LYS 1.669 0.124 13 0 "[ . 1 . 2]"
1 53 ILE 9.134 0.603 3 1 "[ + . 1 . 2]"
1 54 TRP 3.427 0.753 18 1 "[ . 1 . + 2]"
1 55 PHE 10.005 0.604 11 5 "[ * . - 1+ * * 2]"
1 56 GLN 2.583 0.282 16 0 "[ . 1 . 2]"
1 57 ASN 6.740 0.753 18 2 "[ * . 1 . + 2]"
1 58 ARG 0.670 0.095 18 0 "[ . 1 . 2]"
1 59 ARG 4.355 0.924 12 3 "[ . - 1 + . * 2]"
1 60 ALA 6.283 0.924 12 3 "[ . - 1 + . * 2]"
1 61 LYS 2.581 0.091 11 0 "[ . 1 . 2]"
1 62 TRP 2.955 0.092 7 0 "[ . 1 . 2]"
1 63 LYS 8.184 0.324 15 0 "[ . 1 . 2]"
1 64 ARG 5.347 0.375 8 0 "[ . 1 . 2]"
1 65 ILE 4.941 0.321 15 0 "[ . 1 . 2]"
1 66 LYS 2.665 0.120 8 0 "[ . 1 . 2]"
1 67 ALA 1.605 0.105 10 0 "[ . 1 . 2]"
1 68 GLY 0.870 0.105 10 0 "[ . 1 . 2]"
1 69 ASN 0.110 0.079 13 0 "[ . 1 . 2]"
1 70 VAL 0.146 0.079 13 0 "[ . 1 . 2]"
1 71 SER 0.035 0.025 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG HA 1 8 ARG QG . . 3.640 2.681 2.178 3.569 . 0 0 "[ . 1 . 2]" 1
2 1 8 ARG HA 1 9 ARG H . . 2.910 2.421 2.149 2.987 0.077 17 0 "[ . 1 . 2]" 1
3 1 8 ARG HB2 1 8 ARG QD . . 2.900 3.006 2.239 3.567 0.667 12 4 "[-* . 1 + . *2]" 1
4 1 8 ARG HB2 1 9 ARG H . . 4.630 4.189 2.335 4.735 0.105 18 0 "[ . 1 . 2]" 1
5 1 8 ARG QD 1 10 ARG H . . 4.790 4.494 3.185 4.888 0.098 18 0 "[ . 1 . 2]" 1
6 1 9 ARG H 1 9 ARG HB2 . . 3.140 2.723 2.011 3.635 0.495 16 0 "[ . 1 . 2]" 1
7 1 9 ARG H 1 9 ARG HB3 . . 4.110 3.498 2.543 3.879 . 0 0 "[ . 1 . 2]" 1
8 1 9 ARG H 1 9 ARG QD . . 5.000 4.292 2.521 5.075 0.075 4 0 "[ . 1 . 2]" 1
9 1 9 ARG H 1 9 ARG HG2 . . 4.770 3.582 1.907 4.481 . 0 0 "[ . 1 . 2]" 1
10 1 9 ARG H 1 9 ARG HG3 . . 4.670 3.392 2.232 4.686 0.016 6 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 10 ARG H . . 4.560 4.288 3.449 4.609 0.049 15 0 "[ . 1 . 2]" 1
12 1 9 ARG HA 1 9 ARG QD . . 4.060 3.731 2.432 4.154 0.094 17 0 "[ . 1 . 2]" 1
13 1 9 ARG HA 1 9 ARG HG2 . . 4.170 2.658 2.195 3.923 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG HA 1 9 ARG HG3 . . 4.120 3.360 2.701 4.128 0.008 20 0 "[ . 1 . 2]" 1
15 1 9 ARG HA 1 10 ARG H . . 2.720 2.318 2.131 2.802 0.082 16 0 "[ . 1 . 2]" 1
16 1 9 ARG HB3 1 9 ARG QD . . 3.670 2.410 2.148 2.854 . 0 0 "[ . 1 . 2]" 1
17 1 9 ARG HB3 1 10 ARG H . . 4.530 3.492 2.299 4.684 0.154 16 0 "[ . 1 . 2]" 1
18 1 9 ARG HG2 1 10 ARG H . . 5.500 4.351 3.422 5.273 . 0 0 "[ . 1 . 2]" 1
19 1 10 ARG H 1 10 ARG HB2 . . 2.880 2.704 2.164 3.570 0.690 20 4 "[ . 1 * -.* +]" 1
20 1 10 ARG H 1 10 ARG HB3 . . 3.490 2.919 2.353 3.571 0.081 17 0 "[ . 1 . 2]" 1
21 1 10 ARG H 1 10 ARG QD . . 4.640 4.127 2.118 4.701 0.061 19 0 "[ . 1 . 2]" 1
22 1 10 ARG H 1 10 ARG HG3 . . 4.460 3.751 2.336 4.551 0.091 10 0 "[ . 1 . 2]" 1
23 1 10 ARG H 1 11 ARG H . . 4.080 3.847 3.249 4.172 0.092 3 0 "[ . 1 . 2]" 1
24 1 10 ARG HA 1 10 ARG QD . . 4.680 3.533 2.207 4.509 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG HA 1 10 ARG HG2 . . 3.890 3.211 2.241 3.945 0.055 20 0 "[ . 1 . 2]" 1
26 1 10 ARG HA 1 10 ARG HG3 . . 3.860 3.092 2.318 3.818 . 0 0 "[ . 1 . 2]" 1
27 1 10 ARG HA 1 11 ARG H . . 2.810 2.414 1.988 2.766 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 11 ARG HB3 . . 5.260 5.436 4.620 6.185 0.925 13 9 "[ **- 1 *+ *** *]" 1
29 1 10 ARG HA 1 12 THR H . . 3.660 3.549 3.099 3.743 0.083 20 0 "[ . 1 . 2]" 1
30 1 10 ARG HB2 1 11 ARG H . . 5.070 4.551 4.390 4.700 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG QD 1 10 ARG HG2 . . 2.720 2.392 2.186 2.555 . 0 0 "[ . 1 . 2]" 1
32 1 10 ARG QD 1 12 THR H . . 5.500 4.768 2.791 5.592 0.092 4 0 "[ . 1 . 2]" 1
33 1 11 ARG H 1 11 ARG HA . . 2.920 2.950 2.841 2.992 0.072 3 0 "[ . 1 . 2]" 1
34 1 11 ARG H 1 11 ARG HB3 . . 3.220 3.208 2.387 3.905 0.685 17 4 "[ ** 1 - . + 2]" 1
35 1 11 ARG H 1 12 THR H . . 4.710 2.924 2.004 3.567 . 0 0 "[ . 1 . 2]" 1
36 1 11 ARG HA 1 11 ARG QG . . 3.150 2.581 2.099 3.266 0.116 11 0 "[ . 1 . 2]" 1
37 1 11 ARG HA 1 12 THR H . . 3.370 2.870 2.433 3.322 . 0 0 "[ . 1 . 2]" 1
38 1 11 ARG HB3 1 12 THR H . . 4.460 4.373 3.832 4.589 0.129 13 0 "[ . 1 . 2]" 1
39 1 12 THR H 1 12 THR HB . . 3.510 2.877 2.481 3.517 0.007 7 0 "[ . 1 . 2]" 1
40 1 12 THR H 1 12 THR MG . . 4.760 3.528 2.282 4.022 . 0 0 "[ . 1 . 2]" 1
41 1 12 THR HA 1 12 THR MG . . 3.210 2.506 2.216 3.273 0.063 7 0 "[ . 1 . 2]" 1
42 1 12 THR HA 1 13 ALA H . . 2.810 2.333 2.035 2.720 . 0 0 "[ . 1 . 2]" 1
43 1 12 THR HA 1 13 ALA MB . . 3.970 3.939 3.752 4.052 0.082 2 0 "[ . 1 . 2]" 1
44 1 12 THR HB 1 13 ALA H . . 4.120 3.724 2.842 4.174 0.054 13 0 "[ . 1 . 2]" 1
45 1 12 THR HB 1 14 PHE QE . . 5.120 5.067 3.988 5.218 0.098 18 0 "[ . 1 . 2]" 1
46 1 12 THR MG 1 13 ALA H . . 3.310 2.525 1.780 3.251 . 0 0 "[ . 1 . 2]" 1
47 1 12 THR MG 1 13 ALA MB . . 4.370 4.017 3.221 4.488 0.118 18 0 "[ . 1 . 2]" 1
48 1 12 THR MG 1 14 PHE H . . 4.130 2.623 1.962 3.297 . 0 0 "[ . 1 . 2]" 1
49 1 12 THR MG 1 14 PHE HD1 . . 5.030 4.381 3.800 4.804 . 0 0 "[ . 1 . 2]" 1
50 1 12 THR MG 1 14 PHE HD2 . . 4.690 2.353 2.077 3.073 . 0 0 "[ . 1 . 2]" 1
51 1 12 THR MG 1 14 PHE QE . . 4.770 2.838 2.409 4.241 . 0 0 "[ . 1 . 2]" 1
52 1 12 THR MG 1 15 THR H . . 5.500 5.545 5.318 5.608 0.108 13 0 "[ . 1 . 2]" 1
53 1 12 THR MG 1 50 GLN HE21 . . 3.960 2.820 2.104 3.988 0.028 7 0 "[ . 1 . 2]" 1
54 1 12 THR MG 1 50 GLN HE22 . . 3.550 2.421 1.747 3.637 0.087 15 0 "[ . 1 . 2]" 1
55 1 12 THR MG 1 50 GLN HG3 . . 4.530 4.435 3.647 4.635 0.105 20 0 "[ . 1 . 2]" 1
56 1 13 ALA H 1 13 ALA MB . . 3.000 2.439 2.159 2.748 . 0 0 "[ . 1 . 2]" 1
57 1 13 ALA H 1 14 PHE H . . 4.780 3.035 2.133 3.677 . 0 0 "[ . 1 . 2]" 1
58 1 13 ALA H 1 14 PHE HB2 . . 5.320 4.939 4.315 5.383 0.063 14 0 "[ . 1 . 2]" 1
59 1 13 ALA H 1 14 PHE HD1 . . 5.160 4.653 3.873 5.226 0.066 16 0 "[ . 1 . 2]" 1
60 1 13 ALA HA 1 14 PHE H . . 2.950 2.707 2.189 3.048 0.098 16 0 "[ . 1 . 2]" 1
61 1 13 ALA MB 1 14 PHE H . . 3.900 3.675 3.378 3.808 . 0 0 "[ . 1 . 2]" 1
62 1 14 PHE H 1 14 PHE HB2 . . 3.500 2.720 2.452 2.927 . 0 0 "[ . 1 . 2]" 1
63 1 14 PHE H 1 14 PHE HB3 . . 3.930 3.803 3.639 3.936 0.006 20 0 "[ . 1 . 2]" 1
64 1 14 PHE H 1 14 PHE HD1 . . 4.370 4.132 3.575 4.424 0.054 13 0 "[ . 1 . 2]" 1
65 1 14 PHE H 1 14 PHE HD2 . . 4.100 4.061 3.671 4.171 0.071 4 0 "[ . 1 . 2]" 1
66 1 14 PHE H 1 15 THR H . . 4.580 4.380 4.152 4.603 0.023 16 0 "[ . 1 . 2]" 1
67 1 14 PHE H 1 19 LEU QD . . 5.040 4.142 3.948 4.454 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE HA 1 14 PHE HD1 . . 4.300 2.384 2.244 2.607 . 0 0 "[ . 1 . 2]" 1
69 1 14 PHE HA 1 15 THR H . . 3.140 2.593 2.225 2.857 . 0 0 "[ . 1 . 2]" 1
70 1 14 PHE HA 1 15 THR MG . . 3.010 3.034 2.836 3.116 0.106 7 0 "[ . 1 . 2]" 1
71 1 14 PHE HB2 1 15 THR H . . 4.280 3.097 2.512 3.883 . 0 0 "[ . 1 . 2]" 1
72 1 14 PHE HB2 1 19 LEU QD . . 3.530 2.273 2.072 2.736 . 0 0 "[ . 1 . 2]" 1
73 1 14 PHE HB3 1 15 THR H . . 4.000 2.176 1.883 2.832 . 0 0 "[ . 1 . 2]" 1
74 1 14 PHE HB3 1 19 LEU H . . 4.710 4.480 3.876 4.785 0.075 20 0 "[ . 1 . 2]" 1
75 1 14 PHE HB3 1 19 LEU QD . . 3.800 2.596 2.110 3.320 . 0 0 "[ . 1 . 2]" 1
76 1 14 PHE HB3 1 46 LEU HG . . 3.930 3.971 3.682 4.022 0.092 20 0 "[ . 1 . 2]" 1
77 1 14 PHE HD1 1 15 THR MG . . 4.770 4.766 4.456 4.876 0.106 14 0 "[ . 1 . 2]" 1
78 1 14 PHE HD1 1 46 LEU MD1 . . 4.250 4.174 3.863 4.354 0.104 12 0 "[ . 1 . 2]" 1
79 1 14 PHE HD1 1 46 LEU MD2 . . 3.670 3.575 3.391 3.761 0.091 1 0 "[ . 1 . 2]" 1
80 1 14 PHE HD1 1 46 LEU HG . . 4.890 2.758 2.495 2.972 . 0 0 "[ . 1 . 2]" 1
81 1 14 PHE HD1 1 47 SER H . . 5.280 4.830 4.052 5.360 0.080 13 0 "[ . 1 . 2]" 1
82 1 14 PHE HD1 1 50 GLN HE21 . . 5.260 4.504 3.484 5.330 0.070 15 0 "[ . 1 . 2]" 1
83 1 14 PHE HD1 1 50 GLN HG3 . . 4.820 4.678 3.868 4.902 0.082 12 0 "[ . 1 . 2]" 1
84 1 14 PHE HD2 1 19 LEU QD . . 3.650 2.303 1.975 2.919 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE HD2 1 22 LEU QD . . 4.750 3.396 2.926 4.097 . 0 0 "[ . 1 . 2]" 1
86 1 14 PHE HD2 1 46 LEU HG . . 5.310 5.281 4.944 5.386 0.076 2 0 "[ . 1 . 2]" 1
87 1 14 PHE HD2 1 50 GLN HE22 . . 4.990 4.698 3.510 5.061 0.071 17 0 "[ . 1 . 2]" 1
88 1 14 PHE QE 1 22 LEU QD . . 4.570 3.264 2.769 3.927 . 0 0 "[ . 1 . 2]" 1
89 1 14 PHE QE 1 46 LEU MD2 . . 4.520 2.803 2.629 2.993 . 0 0 "[ . 1 . 2]" 1
90 1 14 PHE QE 1 50 GLN HG2 . . 4.980 4.672 4.152 4.975 . 0 0 "[ . 1 . 2]" 1
91 1 14 PHE QE 1 51 VAL MG2 . . 4.630 3.321 2.529 4.267 . 0 0 "[ . 1 . 2]" 1
92 1 15 THR H 1 15 THR MG . . 3.020 2.480 1.869 2.983 . 0 0 "[ . 1 . 2]" 1
93 1 15 THR H 1 18 GLN H . . 4.380 3.437 3.083 3.798 . 0 0 "[ . 1 . 2]" 1
94 1 15 THR H 1 18 GLN QB . . 3.570 2.352 1.668 3.544 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR H 1 19 LEU H . . 4.680 4.083 3.496 4.743 0.063 11 0 "[ . 1 . 2]" 1
96 1 15 THR H 1 19 LEU QD . . 5.110 3.209 2.539 3.926 . 0 0 "[ . 1 . 2]" 1
97 1 15 THR HA 1 15 THR MG . . 3.040 2.736 2.394 3.160 0.120 20 0 "[ . 1 . 2]" 1
98 1 15 THR HA 1 16 SER H . . 3.080 2.480 2.224 2.656 . 0 0 "[ . 1 . 2]" 1
99 1 15 THR HA 1 17 GLU H . . 4.440 4.193 3.828 4.507 0.067 18 0 "[ . 1 . 2]" 1
100 1 15 THR HA 1 18 GLN H . . 4.980 4.654 4.467 4.823 . 0 0 "[ . 1 . 2]" 1
101 1 15 THR HA 1 19 LEU QD . . 5.500 3.827 3.444 4.542 . 0 0 "[ . 1 . 2]" 1
102 1 15 THR HB 1 16 SER H . . 3.570 2.920 2.371 3.646 0.076 12 0 "[ . 1 . 2]" 1
103 1 15 THR HB 1 17 GLU H . . 3.710 3.372 2.683 3.805 0.095 1 0 "[ . 1 . 2]" 1
104 1 15 THR HB 1 18 GLN H . . 4.710 4.246 3.675 4.788 0.078 20 0 "[ . 1 . 2]" 1
105 1 15 THR MG 1 16 SER H . . 4.490 4.010 3.741 4.201 . 0 0 "[ . 1 . 2]" 1
106 1 15 THR MG 1 17 GLU H . . 5.040 3.966 2.674 4.724 . 0 0 "[ . 1 . 2]" 1
107 1 15 THR MG 1 18 GLN H . . 4.550 3.627 1.952 4.411 . 0 0 "[ . 1 . 2]" 1
108 1 15 THR MG 1 18 GLN QB . . 4.690 3.189 2.194 4.028 . 0 0 "[ . 1 . 2]" 1
109 1 16 SER H 1 16 SER HB2 . . 3.520 2.836 2.058 3.562 0.042 9 0 "[ . 1 . 2]" 1
110 1 16 SER H 1 16 SER HB3 . . 4.110 2.802 2.095 3.550 . 0 0 "[ . 1 . 2]" 1
111 1 16 SER H 1 17 GLU H . . 3.920 2.655 2.196 3.069 . 0 0 "[ . 1 . 2]" 1
112 1 16 SER H 1 17 GLU QG . . 5.500 5.177 3.428 5.599 0.099 18 0 "[ . 1 . 2]" 1
113 1 16 SER HA 1 18 GLN H . . 4.620 4.139 3.617 4.635 0.015 1 0 "[ . 1 . 2]" 1
114 1 16 SER HA 1 19 LEU HB2 . . 3.240 2.407 2.010 3.299 0.059 7 0 "[ . 1 . 2]" 1
115 1 16 SER HB2 1 17 GLU H . . 5.210 3.776 2.788 4.294 . 0 0 "[ . 1 . 2]" 1
116 1 16 SER HB2 1 17 GLU QB . . 5.120 5.257 4.148 6.068 0.948 11 7 "[ . * 1+ * ** - *]" 1
117 1 16 SER HB2 1 19 LEU QD . . 5.340 4.331 3.770 4.948 . 0 0 "[ . 1 . 2]" 1
118 1 16 SER HB3 1 19 LEU QD . . 3.980 4.401 3.917 4.935 0.955 17 9 "[ . ** 1* * -*+* *]" 1
119 1 17 GLU H 1 17 GLU QB . . 3.380 2.111 1.902 2.541 . 0 0 "[ . 1 . 2]" 1
120 1 17 GLU H 1 17 GLU QG . . 3.760 3.106 1.734 3.753 . 0 0 "[ . 1 . 2]" 1
121 1 17 GLU H 1 18 GLN H . . 3.520 2.577 2.186 2.851 . 0 0 "[ . 1 . 2]" 1
122 1 17 GLU H 1 18 GLN QB . . 4.870 4.453 3.987 4.713 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLU HA 1 17 GLU QG . . 3.220 2.333 2.113 3.327 0.107 6 0 "[ . 1 . 2]" 1
124 1 17 GLU HA 1 20 LEU H . . 4.290 4.092 3.531 4.378 0.088 6 0 "[ . 1 . 2]" 1
125 1 17 GLU HA 1 20 LEU QD . . 3.840 2.803 2.167 3.804 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLU QB 1 18 GLN H . . 3.750 2.917 2.355 3.475 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLU QG 1 18 GLN H . . 5.140 4.240 2.150 4.765 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLU QG 1 20 LEU QD . . 4.950 3.647 2.353 5.039 0.089 19 0 "[ . 1 . 2]" 1
129 1 17 GLU QG 1 44 LEU QD . . 5.500 4.897 4.044 5.426 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLN H 1 18 GLN QB . . 3.250 2.338 2.156 2.620 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLN H 1 19 LEU H . . 3.630 2.332 1.886 2.882 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLN H 1 19 LEU QD . . 5.500 4.039 3.497 4.615 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLN HA 1 18 GLN QE . . 5.430 4.297 3.453 4.642 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLN HA 1 44 LEU QD . . 3.360 2.085 1.932 2.686 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLN HA 1 44 LEU HG . . 4.750 4.630 2.153 4.848 0.098 17 0 "[ . 1 . 2]" 1
136 1 18 GLN QB 1 18 GLN QE . . 3.810 2.358 1.980 3.382 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLN QB 1 19 LEU H . . 3.740 3.067 2.394 3.601 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLN QB 1 19 LEU QD . . 4.740 3.401 2.749 4.263 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLN QB 1 44 LEU QD . . 4.580 2.880 2.073 3.437 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLN QB 1 46 LEU HG . . 3.950 3.353 2.843 3.854 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLN QE 1 44 LEU QD . . 5.500 3.941 3.139 4.695 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLN QE 1 45 LYS H . . 5.370 3.496 2.445 4.110 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLN QE 1 45 LYS HA . . 5.050 4.454 4.094 4.861 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLN QE 1 45 LYS HB2 . . 5.230 2.737 1.815 3.969 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLN QE 1 45 LYS HB3 . . 5.400 3.475 2.655 4.799 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLN QE 1 46 LEU MD1 . . 3.640 2.107 1.711 2.698 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLN QE 1 46 LEU MD2 . . 5.110 3.751 3.258 4.605 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLN QE 1 46 LEU HG . . 4.730 2.575 1.901 3.484 . 0 0 "[ . 1 . 2]" 1
149 1 19 LEU H 1 19 LEU HB2 . . 3.490 2.239 2.089 2.616 . 0 0 "[ . 1 . 2]" 1
150 1 19 LEU H 1 19 LEU HB3 . . 3.760 3.501 3.366 3.684 . 0 0 "[ . 1 . 2]" 1
151 1 19 LEU H 1 19 LEU QD . . 3.930 2.917 2.392 3.417 . 0 0 "[ . 1 . 2]" 1
152 1 19 LEU H 1 20 LEU H . . 3.890 2.680 2.304 3.063 . 0 0 "[ . 1 . 2]" 1
153 1 19 LEU H 1 22 LEU QD . . 5.500 4.580 4.152 4.980 . 0 0 "[ . 1 . 2]" 1
154 1 19 LEU HA 1 19 LEU QD . . 3.030 2.173 2.077 2.317 . 0 0 "[ . 1 . 2]" 1
155 1 19 LEU HA 1 22 LEU H . . 4.620 3.431 2.935 4.065 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU HA 1 22 LEU HB2 . . 4.110 2.657 2.095 3.461 . 0 0 "[ . 1 . 2]" 1
157 1 19 LEU HA 1 22 LEU HB3 . . 3.580 2.822 2.068 3.660 0.080 14 0 "[ . 1 . 2]" 1
158 1 19 LEU HA 1 22 LEU QD . . 3.440 2.552 2.118 3.095 . 0 0 "[ . 1 . 2]" 1
159 1 19 LEU HA 1 23 GLU H . . 5.300 3.900 3.159 4.641 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU HA 1 54 TRP HE1 . . 5.380 5.086 4.439 5.446 0.066 12 0 "[ . 1 . 2]" 1
161 1 19 LEU HB2 1 19 LEU QD . . 3.080 2.173 2.108 2.380 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU HB2 1 20 LEU H . . 4.130 3.620 2.891 4.108 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU HB3 1 19 LEU QD . . 2.990 2.281 2.124 2.421 . 0 0 "[ . 1 . 2]" 1
164 1 19 LEU HB3 1 20 LEU H . . 4.420 4.080 3.711 4.457 0.037 3 0 "[ . 1 . 2]" 1
165 1 19 LEU HB3 1 22 LEU HB3 . . 4.820 4.314 3.518 4.877 0.057 16 0 "[ . 1 . 2]" 1
166 1 19 LEU HB3 1 22 LEU QD . . 5.500 4.232 3.710 4.671 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU HB3 1 23 GLU HG3 . . 4.520 3.150 2.545 4.577 0.057 15 0 "[ . 1 . 2]" 1
168 1 19 LEU QD 1 22 LEU QD . . 3.590 2.179 1.967 2.741 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU QD 1 54 TRP HD1 . . 4.440 3.719 3.252 4.145 . 0 0 "[ . 1 . 2]" 1
170 1 19 LEU QD 1 54 TRP HE1 . . 3.270 2.544 2.186 3.154 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU QD 1 54 TRP HZ2 . . 4.580 3.577 2.715 4.341 . 0 0 "[ . 1 . 2]" 1
172 1 20 LEU H 1 20 LEU HB2 . . 3.360 2.091 1.985 2.201 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU H 1 20 LEU HB3 . . 3.120 3.257 2.909 3.442 0.322 8 0 "[ . 1 . 2]" 1
174 1 20 LEU H 1 20 LEU QD . . 4.610 3.402 2.134 3.759 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU H 1 20 LEU HG . . 3.750 3.479 2.688 3.843 0.093 13 0 "[ . 1 . 2]" 1
176 1 20 LEU H 1 21 GLU H . . 3.560 2.686 2.409 2.987 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU H 1 21 GLU HG2 . . 5.120 4.392 3.793 4.883 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU H 1 21 GLU HG3 . . 5.380 5.303 4.140 5.468 0.088 2 0 "[ . 1 . 2]" 1
179 1 20 LEU H 1 22 LEU HB2 . . 4.960 4.761 4.066 5.039 0.079 13 0 "[ . 1 . 2]" 1
180 1 20 LEU HA 1 20 LEU QD . . 3.050 2.257 2.053 2.567 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU HA 1 20 LEU HG . . 3.860 2.496 2.170 3.721 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU HA 1 21 GLU HG2 . . 5.470 5.200 4.830 5.535 0.065 9 0 "[ . 1 . 2]" 1
183 1 20 LEU HA 1 23 GLU H . . 4.420 3.904 3.382 4.439 0.019 9 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 23 GLU HB2 . . 3.990 3.422 2.492 4.066 0.076 9 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 24 LYS H . . 5.120 4.387 3.935 5.190 0.070 9 0 "[ . 1 . 2]" 1
186 1 20 LEU HB2 1 21 GLU H . . 3.740 2.933 2.448 3.567 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HB2 1 21 GLU HG2 . . 4.770 3.739 2.834 4.284 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU HB3 1 21 GLU H . . 3.730 2.805 2.243 3.623 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU HB3 1 21 GLU HG2 . . 4.210 3.192 2.533 3.655 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU QD 1 21 GLU HG3 . . 5.500 5.268 4.605 5.612 0.112 14 0 "[ . 1 . 2]" 1
191 1 21 GLU H 1 21 GLU HB2 . . 3.730 2.569 2.233 3.691 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLU H 1 21 GLU HB3 . . 3.670 3.493 2.949 3.634 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLU H 1 21 GLU HG2 . . 3.790 2.255 1.800 2.889 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLU H 1 21 GLU HG3 . . 3.780 3.170 2.039 3.839 0.059 3 0 "[ . 1 . 2]" 1
195 1 21 GLU H 1 22 LEU H . . 3.620 2.442 1.886 2.682 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLU H 1 22 LEU HB2 . . 5.230 4.268 3.793 4.575 . 0 0 "[ . 1 . 2]" 1
197 1 21 GLU H 1 22 LEU QD . . 5.500 5.028 4.673 5.275 . 0 0 "[ . 1 . 2]" 1
198 1 21 GLU H 1 23 GLU H . . 4.750 4.186 3.852 4.461 . 0 0 "[ . 1 . 2]" 1
199 1 21 GLU H 1 24 LYS H . . 5.500 4.614 4.415 4.734 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLU H 1 44 LEU QD . . 4.750 3.055 2.483 3.750 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLU HA 1 21 GLU HB3 . . 2.800 2.470 2.228 2.591 . 0 0 "[ . 1 . 2]" 1
202 1 21 GLU HA 1 21 GLU HG2 . . 4.110 3.003 2.565 3.833 . 0 0 "[ . 1 . 2]" 1
203 1 21 GLU HA 1 21 GLU HG3 . . 3.780 3.788 3.652 3.859 0.079 18 0 "[ . 1 . 2]" 1
204 1 21 GLU HA 1 24 LYS H . . 4.100 3.324 2.605 3.649 . 0 0 "[ . 1 . 2]" 1
205 1 21 GLU HB3 1 22 LEU H . . 4.030 3.791 3.479 4.397 0.367 16 0 "[ . 1 . 2]" 1
206 1 21 GLU HB3 1 40 ILE QG . . 4.990 3.126 2.114 5.272 0.282 9 0 "[ . 1 . 2]" 1
207 1 21 GLU HG2 1 22 LEU H . . 5.500 4.211 3.313 4.551 . 0 0 "[ . 1 . 2]" 1
208 1 21 GLU HG2 1 44 LEU QD . . 3.400 2.820 2.253 3.207 . 0 0 "[ . 1 . 2]" 1
209 1 21 GLU HG3 1 22 LEU H . . 5.500 4.484 2.489 5.016 . 0 0 "[ . 1 . 2]" 1
210 1 21 GLU HG3 1 44 LEU QD . . 3.430 2.223 1.939 2.718 . 0 0 "[ . 1 . 2]" 1
211 1 22 LEU H 1 22 LEU HB2 . . 4.000 2.158 1.940 2.413 . 0 0 "[ . 1 . 2]" 1
212 1 22 LEU H 1 22 LEU HB3 . . 3.680 2.919 2.265 3.515 . 0 0 "[ . 1 . 2]" 1
213 1 22 LEU H 1 22 LEU QD . . 4.310 3.499 3.327 3.685 . 0 0 "[ . 1 . 2]" 1
214 1 22 LEU H 1 23 GLU H . . 3.910 2.672 2.464 2.837 . 0 0 "[ . 1 . 2]" 1
215 1 22 LEU H 1 40 ILE QG . . 3.690 3.497 3.081 3.780 0.090 15 0 "[ . 1 . 2]" 1
216 1 22 LEU H 1 44 LEU QD . . 4.580 3.622 2.678 4.348 . 0 0 "[ . 1 . 2]" 1
217 1 22 LEU HA 1 22 LEU QD . . 3.030 2.240 2.070 2.507 . 0 0 "[ . 1 . 2]" 1
218 1 22 LEU HA 1 24 LYS H . . 4.990 4.422 4.093 4.755 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU HA 1 25 GLU H . . 4.850 3.941 3.513 4.253 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU HA 1 25 GLU QB . . 3.560 3.410 2.744 3.658 0.098 1 0 "[ . 1 . 2]" 1
221 1 22 LEU HA 1 25 GLU QG . . 5.060 4.566 2.726 5.145 0.085 16 0 "[ . 1 . 2]" 1
222 1 22 LEU HA 1 40 ILE MD . . 4.760 2.893 2.017 3.679 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU HA 1 40 ILE QG . . 3.950 2.469 2.179 3.234 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU HB2 1 22 LEU QD . . 3.260 2.156 2.030 2.325 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU HB2 1 23 GLU H . . 4.400 3.312 2.400 3.983 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU HB2 1 40 ILE QG . . 4.350 3.573 2.554 4.430 0.080 7 0 "[ . 1 . 2]" 1
227 1 22 LEU HB3 1 23 GLU H . . 4.010 2.740 2.261 3.208 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU HB3 1 54 TRP HE1 . . 5.190 4.926 4.152 5.260 0.070 18 0 "[ . 1 . 2]" 1
229 1 22 LEU QD 1 23 GLU H . . 5.190 3.980 3.734 4.340 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU QD 1 40 ILE MD . . 3.240 2.766 2.104 3.301 0.061 6 0 "[ . 1 . 2]" 1
231 1 22 LEU QD 1 40 ILE QG . . 5.500 2.821 2.229 4.384 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU QD 1 40 ILE MG . . 3.420 2.188 1.933 2.813 . 0 0 "[ . 1 . 2]" 1
233 1 22 LEU QD 1 44 LEU QD . . 4.120 3.780 3.328 4.068 . 0 0 "[ . 1 . 2]" 1
234 1 22 LEU QD 1 46 LEU MD2 . . 3.190 2.051 1.918 2.316 . 0 0 "[ . 1 . 2]" 1
235 1 22 LEU QD 1 46 LEU HG . . 4.630 4.191 3.793 4.541 . 0 0 "[ . 1 . 2]" 1
236 1 22 LEU QD 1 51 VAL HA . . 5.370 3.993 3.715 4.362 . 0 0 "[ . 1 . 2]" 1
237 1 22 LEU QD 1 51 VAL MG1 . . 3.030 2.891 2.527 3.089 0.059 1 0 "[ . 1 . 2]" 1
238 1 22 LEU QD 1 51 VAL MG2 . . 3.950 3.119 2.794 3.401 . 0 0 "[ . 1 . 2]" 1
239 1 22 LEU QD 1 54 TRP HD1 . . 4.610 3.708 3.370 4.434 . 0 0 "[ . 1 . 2]" 1
240 1 22 LEU QD 1 54 TRP HE1 . . 4.960 3.097 2.463 3.951 . 0 0 "[ . 1 . 2]" 1
241 1 23 GLU H 1 23 GLU HB2 . . 3.620 2.350 2.129 2.445 . 0 0 "[ . 1 . 2]" 1
242 1 23 GLU H 1 23 GLU HB3 . . 3.580 3.588 3.456 3.647 0.067 11 0 "[ . 1 . 2]" 1
243 1 23 GLU H 1 23 GLU HG2 . . 4.270 3.604 2.525 4.317 0.047 15 0 "[ . 1 . 2]" 1
244 1 23 GLU H 1 23 GLU HG3 . . 4.100 2.900 2.451 3.931 . 0 0 "[ . 1 . 2]" 1
245 1 23 GLU H 1 24 LYS H . . 4.080 2.490 2.113 2.721 . 0 0 "[ . 1 . 2]" 1
246 1 23 GLU H 1 40 ILE QG . . 5.240 5.249 4.988 5.341 0.101 11 0 "[ . 1 . 2]" 1
247 1 23 GLU H 1 54 TRP HH2 . . 5.020 4.735 4.252 5.070 0.050 17 0 "[ . 1 . 2]" 1
248 1 23 GLU H 1 54 TRP HZ2 . . 5.230 4.740 3.963 5.295 0.065 5 0 "[ . 1 . 2]" 1
249 1 23 GLU HA 1 54 TRP HH2 . . 3.740 3.135 2.474 3.807 0.067 14 0 "[ . 1 . 2]" 1
250 1 23 GLU HB2 1 24 LYS H . . 2.990 2.922 2.546 3.071 0.081 15 0 "[ . 1 . 2]" 1
251 1 23 GLU HB3 1 24 LYS H . . 4.500 3.652 3.351 3.860 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLU HB3 1 24 LYS HA . . 4.270 4.287 3.822 4.353 0.083 6 0 "[ . 1 . 2]" 1
253 1 23 GLU HG2 1 54 TRP HH2 . . 4.760 3.546 2.494 4.671 . 0 0 "[ . 1 . 2]" 1
254 1 23 GLU HG2 1 54 TRP HZ2 . . 4.690 3.171 2.200 4.306 . 0 0 "[ . 1 . 2]" 1
255 1 23 GLU HG3 1 24 LYS H . . 4.920 4.738 4.505 4.976 0.056 1 0 "[ . 1 . 2]" 1
256 1 23 GLU HG3 1 54 TRP HH2 . . 4.810 4.340 2.978 4.881 0.071 8 0 "[ . 1 . 2]" 1
257 1 23 GLU HG3 1 54 TRP HZ2 . . 4.680 3.403 2.232 4.715 0.035 10 0 "[ . 1 . 2]" 1
258 1 24 LYS H 1 25 GLU H . . 3.620 2.816 2.663 3.043 . 0 0 "[ . 1 . 2]" 1
259 1 24 LYS HA 1 24 LYS QG . . 2.750 2.523 2.268 2.819 0.069 19 0 "[ . 1 . 2]" 1
260 1 24 LYS HA 1 26 PHE H . . 5.500 4.162 3.576 4.972 . 0 0 "[ . 1 . 2]" 1
261 1 24 LYS HA 1 27 HIS HB3 . . 3.900 3.793 2.979 4.544 0.644 4 2 "[ +. 1 . -2]" 1
262 1 24 LYS QG 1 26 PHE H . . 5.500 5.231 4.707 5.589 0.089 3 0 "[ . 1 . 2]" 1
263 1 25 GLU H 1 25 GLU QB . . 3.200 2.164 1.992 2.348 . 0 0 "[ . 1 . 2]" 1
264 1 25 GLU H 1 25 GLU QG . . 3.950 3.114 2.284 4.001 0.051 5 0 "[ . 1 . 2]" 1
265 1 25 GLU H 1 26 PHE H . . 3.910 2.795 2.593 3.078 . 0 0 "[ . 1 . 2]" 1
266 1 25 GLU HA 1 27 HIS H . . 5.020 3.698 3.307 3.992 . 0 0 "[ . 1 . 2]" 1
267 1 25 GLU HA 1 28 CYS H . . 5.140 3.701 2.674 4.350 . 0 0 "[ . 1 . 2]" 1
268 1 25 GLU HA 1 28 CYS QB . . 4.000 3.664 2.500 4.117 0.117 20 0 "[ . 1 . 2]" 1
269 1 25 GLU HA 1 29 LYS QG . . 4.330 3.738 3.258 4.252 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLU QB 1 26 PHE H . . 3.710 3.063 2.553 3.795 0.085 15 0 "[ . 1 . 2]" 1
271 1 25 GLU QB 1 40 ILE MD . . 3.280 2.754 2.148 3.374 0.094 19 0 "[ . 1 . 2]" 1
272 1 25 GLU QB 1 40 ILE QG . . 4.900 3.989 3.396 4.571 . 0 0 "[ . 1 . 2]" 1
273 1 25 GLU QG 1 27 HIS H . . 5.500 5.448 4.619 5.601 0.101 10 0 "[ . 1 . 2]" 1
274 1 25 GLU QG 1 40 ILE MD . . 4.980 2.754 1.886 4.436 . 0 0 "[ . 1 . 2]" 1
275 1 26 PHE H 1 26 PHE QD . . 4.610 3.652 2.757 4.460 . 0 0 "[ . 1 . 2]" 1
276 1 26 PHE H 1 27 HIS H . . 3.860 2.592 1.820 3.052 . 0 0 "[ . 1 . 2]" 1
277 1 26 PHE QD 1 27 HIS H . . 5.500 4.910 4.694 5.043 . 0 0 "[ . 1 . 2]" 1
278 1 26 PHE QD 1 30 LYS QD . . 4.920 4.445 3.194 5.017 0.097 11 0 "[ . 1 . 2]" 1
279 1 26 PHE QE 1 30 LYS QD . . 5.500 3.323 2.173 4.884 . 0 0 "[ . 1 . 2]" 1
280 1 26 PHE QE 1 32 LEU QB . . 4.510 4.085 3.097 4.620 0.110 1 0 "[ . 1 . 2]" 1
281 1 26 PHE QE 1 58 ARG QB . . 4.570 3.543 2.514 4.301 . 0 0 "[ . 1 . 2]" 1
282 1 26 PHE HZ 1 30 LYS QD . . 5.400 3.943 2.423 5.472 0.072 19 0 "[ . 1 . 2]" 1
283 1 27 HIS H 1 27 HIS HB2 . . 2.740 2.535 2.203 2.907 0.167 5 0 "[ . 1 . 2]" 1
284 1 27 HIS H 1 27 HIS HB3 . . 2.860 2.626 2.360 2.938 0.078 17 0 "[ . 1 . 2]" 1
285 1 27 HIS H 1 27 HIS HD2 . . 5.500 4.937 4.463 5.271 . 0 0 "[ . 1 . 2]" 1
286 1 27 HIS H 1 28 CYS H . . 3.600 2.440 2.049 3.037 . 0 0 "[ . 1 . 2]" 1
287 1 27 HIS H 1 29 LYS H . . 4.810 3.857 3.443 4.252 . 0 0 "[ . 1 . 2]" 1
288 1 27 HIS HA 1 27 HIS HB3 . . 3.020 3.025 2.959 3.050 0.030 7 0 "[ . 1 . 2]" 1
289 1 27 HIS HB2 1 28 CYS H . . 4.520 3.892 3.520 4.317 . 0 0 "[ . 1 . 2]" 1
290 1 27 HIS HB3 1 27 HIS HD2 . . 3.620 3.367 2.533 3.934 0.314 10 0 "[ . 1 . 2]" 1
291 1 27 HIS HB3 1 28 CYS H . . 4.550 2.820 2.170 3.790 . 0 0 "[ . 1 . 2]" 1
292 1 28 CYS H 1 28 CYS QB . . 3.090 2.388 2.183 2.689 . 0 0 "[ . 1 . 2]" 1
293 1 28 CYS H 1 29 LYS H . . 3.220 2.380 1.778 2.780 . 0 0 "[ . 1 . 2]" 1
294 1 28 CYS H 1 29 LYS HB3 . . 5.320 5.300 5.012 5.398 0.078 5 0 "[ . 1 . 2]" 1
295 1 28 CYS H 1 29 LYS QD . . 5.500 5.393 4.450 5.607 0.107 13 0 "[ . 1 . 2]" 1
296 1 28 CYS H 1 29 LYS QG . . 5.500 3.704 3.434 4.039 . 0 0 "[ . 1 . 2]" 1
297 1 28 CYS QB 1 29 LYS H . . 3.510 2.869 2.288 3.564 0.054 17 0 "[ . 1 . 2]" 1
298 1 28 CYS QB 1 29 LYS QG . . 4.420 2.828 2.120 3.700 . 0 0 "[ . 1 . 2]" 1
299 1 29 LYS H 1 29 LYS HB3 . . 3.760 3.429 3.155 3.755 . 0 0 "[ . 1 . 2]" 1
300 1 29 LYS H 1 29 LYS QE . . 5.310 4.919 3.758 5.382 0.072 8 0 "[ . 1 . 2]" 1
301 1 29 LYS H 1 29 LYS QG . . 4.350 2.261 1.963 2.570 . 0 0 "[ . 1 . 2]" 1
302 1 29 LYS H 1 30 LYS H . . 4.770 4.190 3.833 4.471 . 0 0 "[ . 1 . 2]" 1
303 1 29 LYS H 1 30 LYS HA . . 4.870 4.541 4.283 4.853 . 0 0 "[ . 1 . 2]" 1
304 1 29 LYS HA 1 30 LYS H . . 2.770 2.237 2.026 2.536 . 0 0 "[ . 1 . 2]" 1
305 1 29 LYS HA 1 30 LYS HA . . 4.340 4.348 4.097 4.431 0.091 9 0 "[ . 1 . 2]" 1
306 1 29 LYS HA 1 31 TYR H . . 4.440 4.038 3.380 4.483 0.043 12 0 "[ . 1 . 2]" 1
307 1 29 LYS HB2 1 30 LYS H . . 4.880 3.118 2.381 3.906 . 0 0 "[ . 1 . 2]" 1
308 1 29 LYS HB3 1 30 LYS H . . 4.740 4.005 3.737 4.306 . 0 0 "[ . 1 . 2]" 1
309 1 29 LYS QD 1 32 LEU H . . 5.340 4.568 3.360 5.443 0.103 13 0 "[ . 1 . 2]" 1
310 1 29 LYS QD 1 32 LEU HA . . 3.640 3.094 2.114 3.731 0.091 11 0 "[ . 1 . 2]" 1
311 1 29 LYS QD 1 32 LEU QD . . 3.230 2.470 1.964 3.328 0.098 18 0 "[ . 1 . 2]" 1
312 1 29 LYS QE 1 30 LYS H . . 5.500 5.017 3.613 5.575 0.075 13 0 "[ . 1 . 2]" 1
313 1 29 LYS QE 1 31 TYR H . . 4.670 3.629 2.477 4.639 . 0 0 "[ . 1 . 2]" 1
314 1 29 LYS QE 1 31 TYR QE . . 5.250 3.946 2.206 5.349 0.099 18 0 "[ . 1 . 2]" 1
315 1 29 LYS QE 1 32 LEU H . . 4.640 4.691 4.394 4.741 0.101 14 0 "[ . 1 . 2]" 1
316 1 29 LYS QE 1 32 LEU QD . . 4.490 2.662 1.768 3.757 . 0 0 "[ . 1 . 2]" 1
317 1 29 LYS QE 1 32 LEU HG . . 5.270 4.370 2.960 5.352 0.082 6 0 "[ . 1 . 2]" 1
318 1 29 LYS QE 1 33 SER H . . 4.760 3.114 2.343 4.810 0.050 4 0 "[ . 1 . 2]" 1
319 1 29 LYS QG 1 32 LEU QD . . 5.500 3.722 2.605 4.442 . 0 0 "[ . 1 . 2]" 1
320 1 30 LYS H 1 30 LYS HB2 . . 3.660 2.354 2.017 3.760 0.100 9 0 "[ . 1 . 2]" 1
321 1 30 LYS H 1 30 LYS HB3 . . 4.090 2.931 2.481 3.313 . 0 0 "[ . 1 . 2]" 1
322 1 30 LYS H 1 30 LYS QD . . 4.620 4.495 3.743 4.666 0.046 15 0 "[ . 1 . 2]" 1
323 1 30 LYS H 1 30 LYS QG . . 3.910 3.745 2.517 3.997 0.087 8 0 "[ . 1 . 2]" 1
324 1 30 LYS H 1 31 TYR H . . 3.360 2.857 2.305 3.353 . 0 0 "[ . 1 . 2]" 1
325 1 30 LYS H 1 31 TYR HA . . 5.500 5.264 4.454 5.569 0.069 16 0 "[ . 1 . 2]" 1
326 1 30 LYS H 1 31 TYR QD . . 4.990 3.283 2.193 4.254 . 0 0 "[ . 1 . 2]" 1
327 1 30 LYS H 1 31 TYR QE . . 4.790 3.506 2.615 4.242 . 0 0 "[ . 1 . 2]" 1
328 1 30 LYS HA 1 30 LYS QD . . 3.580 2.889 2.019 3.690 0.110 9 0 "[ . 1 . 2]" 1
329 1 30 LYS HB2 1 31 TYR H . . 4.440 4.341 3.691 4.651 0.211 15 0 "[ . 1 . 2]" 1
330 1 30 LYS HB2 1 31 TYR QD . . 4.300 3.905 2.793 4.550 0.250 7 0 "[ . 1 . 2]" 1
331 1 30 LYS HB3 1 31 TYR QD . . 4.470 2.892 2.240 4.358 . 0 0 "[ . 1 . 2]" 1
332 1 30 LYS HB3 1 31 TYR QE . . 5.190 4.224 3.409 5.224 0.034 17 0 "[ . 1 . 2]" 1
333 1 30 LYS QD 1 31 TYR QB . . 4.330 4.262 3.303 4.462 0.132 1 0 "[ . 1 . 2]" 1
334 1 30 LYS QG 1 31 TYR QD . . 4.900 4.632 2.190 5.010 0.110 14 0 "[ . 1 . 2]" 1
335 1 31 TYR H 1 32 LEU H . . 5.370 4.018 2.873 4.420 . 0 0 "[ . 1 . 2]" 1
336 1 31 TYR H 1 32 LEU QD . . 5.360 4.278 3.047 5.097 . 0 0 "[ . 1 . 2]" 1
337 1 31 TYR HA 1 32 LEU H . . 3.250 2.387 2.116 2.889 . 0 0 "[ . 1 . 2]" 1
338 1 31 TYR QD 1 32 LEU H . . 4.960 4.113 2.320 4.923 . 0 0 "[ . 1 . 2]" 1
339 1 31 TYR QD 1 33 SER H . . 4.760 3.712 2.509 4.838 0.078 7 0 "[ . 1 . 2]" 1
340 1 31 TYR QD 1 33 SER HA . . 5.370 4.567 3.665 5.292 . 0 0 "[ . 1 . 2]" 1
341 1 32 LEU H 1 32 LEU HA . . 2.900 2.918 2.770 2.969 0.069 2 0 "[ . 1 . 2]" 1
342 1 32 LEU H 1 32 LEU QB . . 3.480 2.458 2.057 2.924 . 0 0 "[ . 1 . 2]" 1
343 1 32 LEU H 1 32 LEU QD . . 4.440 3.458 2.352 4.022 . 0 0 "[ . 1 . 2]" 1
344 1 32 LEU H 1 32 LEU HG . . 4.760 3.904 2.425 4.827 0.067 4 0 "[ . 1 . 2]" 1
345 1 32 LEU H 1 55 PHE QE . . 4.900 4.489 2.851 4.992 0.092 13 0 "[ . 1 . 2]" 1
346 1 32 LEU HA 1 32 LEU QD . . 2.980 2.116 2.007 2.327 . 0 0 "[ . 1 . 2]" 1
347 1 32 LEU HA 1 33 SER H . . 2.760 2.153 2.014 2.256 . 0 0 "[ . 1 . 2]" 1
348 1 32 LEU HA 1 36 GLU HB2 . . 3.490 2.781 2.120 3.535 0.045 20 0 "[ . 1 . 2]" 1
349 1 32 LEU QB 1 33 SER H . . 3.760 3.624 2.749 3.869 0.109 11 0 "[ . 1 . 2]" 1
350 1 32 LEU QB 1 36 GLU HB2 . . 4.300 3.340 2.083 4.359 0.059 4 0 "[ . 1 . 2]" 1
351 1 32 LEU QB 1 36 GLU HB3 . . 4.800 3.947 2.590 4.873 0.073 17 0 "[ . 1 . 2]" 1
352 1 32 LEU QB 1 37 ARG H . . 4.040 3.556 2.551 4.126 0.086 18 0 "[ . 1 . 2]" 1
353 1 32 LEU QB 1 37 ARG HB2 . . 4.570 2.964 2.175 4.312 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU QD 1 33 SER H . . 3.920 3.608 2.968 3.899 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU QD 1 36 GLU HA . . 5.420 3.950 3.530 4.639 . 0 0 "[ . 1 . 2]" 1
356 1 32 LEU QD 1 36 GLU HB2 . . 3.390 2.818 2.166 3.567 0.177 3 0 "[ . 1 . 2]" 1
357 1 32 LEU QD 1 36 GLU HB3 . . 4.520 2.288 1.983 3.122 . 0 0 "[ . 1 . 2]" 1
358 1 32 LEU QD 1 37 ARG H . . 5.420 3.525 2.717 4.643 . 0 0 "[ . 1 . 2]" 1
359 1 32 LEU QD 1 37 ARG HA . . 3.420 2.271 1.991 3.257 . 0 0 "[ . 1 . 2]" 1
360 1 32 LEU QD 1 40 ILE MD . . 3.470 2.564 2.093 3.228 . 0 0 "[ . 1 . 2]" 1
361 1 32 LEU QD 1 55 PHE QD . . 4.970 3.772 2.129 4.974 0.004 1 0 "[ . 1 . 2]" 1
362 1 32 LEU QD 1 55 PHE QE . . 4.270 2.715 2.034 3.744 . 0 0 "[ . 1 . 2]" 1
363 1 32 LEU HG 1 37 ARG HA . . 5.020 3.991 2.264 5.114 0.094 1 0 "[ . 1 . 2]" 1
364 1 33 SER H 1 36 GLU H . . 4.370 3.831 3.219 4.260 . 0 0 "[ . 1 . 2]" 1
365 1 33 SER H 1 36 GLU HB2 . . 3.960 2.536 1.960 3.085 . 0 0 "[ . 1 . 2]" 1
366 1 33 SER H 1 36 GLU HB3 . . 4.420 3.794 3.116 4.470 0.050 19 0 "[ . 1 . 2]" 1
367 1 33 SER H 1 36 GLU QG . . 4.690 2.958 1.770 3.980 . 0 0 "[ . 1 . 2]" 1
368 1 33 SER H 1 37 ARG H . . 5.450 4.412 3.259 5.488 0.038 13 0 "[ . 1 . 2]" 1
369 1 34 LEU H 1 34 LEU HB2 . . 3.480 2.595 2.093 3.558 0.078 4 0 "[ . 1 . 2]" 1
370 1 34 LEU H 1 34 LEU QD . . 4.750 3.130 2.003 4.150 . 0 0 "[ . 1 . 2]" 1
371 1 34 LEU H 1 34 LEU HG . . 5.050 4.436 2.793 5.115 0.065 3 0 "[ . 1 . 2]" 1
372 1 34 LEU H 1 35 THR H . . 4.420 3.415 2.755 4.163 . 0 0 "[ . 1 . 2]" 1
373 1 34 LEU HA 1 34 LEU QD . . 3.090 2.131 1.940 2.947 . 0 0 "[ . 1 . 2]" 1
374 1 34 LEU HA 1 34 LEU HG . . 3.900 3.544 2.266 3.793 . 0 0 "[ . 1 . 2]" 1
375 1 34 LEU HA 1 36 GLU H . . 4.430 4.325 4.060 4.528 0.098 8 0 "[ . 1 . 2]" 1
376 1 34 LEU HB2 1 35 THR H . . 4.440 3.390 2.124 4.519 0.079 19 0 "[ . 1 . 2]" 1
377 1 34 LEU HB3 1 35 THR H . . 4.440 2.686 2.033 4.413 . 0 0 "[ . 1 . 2]" 1
378 1 34 LEU HB3 1 36 GLU H . . 5.160 4.708 3.430 5.240 0.080 18 0 "[ . 1 . 2]" 1
379 1 34 LEU QD 1 37 ARG H . . 5.500 4.588 3.956 5.407 . 0 0 "[ . 1 . 2]" 1
380 1 35 THR H 1 36 GLU H . . 3.960 2.727 1.893 3.106 . 0 0 "[ . 1 . 2]" 1
381 1 35 THR H 1 36 GLU QG . . 5.410 4.275 2.997 5.227 . 0 0 "[ . 1 . 2]" 1
382 1 35 THR MG 1 36 GLU H . . 4.280 3.320 2.270 3.959 . 0 0 "[ . 1 . 2]" 1
383 1 35 THR MG 1 36 GLU QG . . 4.010 3.370 1.953 4.130 0.120 19 0 "[ . 1 . 2]" 1
384 1 35 THR MG 1 38 SER H . . 5.500 4.762 4.065 5.598 0.098 4 0 "[ . 1 . 2]" 1
385 1 35 THR MG 1 39 GLN HE21 . . 5.270 4.315 2.792 5.354 0.084 3 0 "[ . 1 . 2]" 1
386 1 35 THR MG 1 39 GLN HE22 . . 5.500 5.134 4.023 5.587 0.087 15 0 "[ . 1 . 2]" 1
387 1 35 THR MG 1 39 GLN HG2 . . 4.180 3.983 2.890 4.867 0.687 2 3 "[ + . -1 . * 2]" 1
388 1 35 THR MG 1 39 GLN HG3 . . 4.780 3.799 2.919 4.849 0.069 10 0 "[ . 1 . 2]" 1
389 1 36 GLU H 1 36 GLU HB2 . . 3.970 2.386 2.098 2.622 . 0 0 "[ . 1 . 2]" 1
390 1 36 GLU H 1 36 GLU HB3 . . 3.970 3.541 3.424 3.691 . 0 0 "[ . 1 . 2]" 1
391 1 36 GLU H 1 36 GLU QG . . 3.880 2.441 1.893 3.179 . 0 0 "[ . 1 . 2]" 1
392 1 36 GLU H 1 37 ARG H . . 3.570 2.475 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
393 1 36 GLU H 1 37 ARG HA . . 5.040 5.113 5.007 5.132 0.092 20 0 "[ . 1 . 2]" 1
394 1 36 GLU H 1 38 SER H . . 5.190 4.025 3.765 4.375 . 0 0 "[ . 1 . 2]" 1
395 1 36 GLU HA 1 36 GLU QG . . 2.940 2.674 2.259 3.037 0.097 5 0 "[ . 1 . 2]" 1
396 1 36 GLU HA 1 39 GLN HB2 . . 3.620 3.248 2.189 3.682 0.062 7 0 "[ . 1 . 2]" 1
397 1 36 GLU HA 1 39 GLN HG3 . . 4.410 2.351 1.974 3.608 . 0 0 "[ . 1 . 2]" 1
398 1 36 GLU HB3 1 37 ARG H . . 3.620 3.748 3.204 4.145 0.525 5 2 "[ + 1 - . 2]" 1
399 1 37 ARG H 1 37 ARG HB3 . . 3.380 2.538 2.173 3.485 0.105 1 0 "[ . 1 . 2]" 1
400 1 37 ARG H 1 38 SER H . . 3.580 2.665 2.312 2.940 . 0 0 "[ . 1 . 2]" 1
401 1 37 ARG H 1 39 GLN H . . 4.790 4.039 3.728 4.332 . 0 0 "[ . 1 . 2]" 1
402 1 37 ARG HA 1 40 ILE H . . 4.530 4.417 3.788 4.613 0.083 17 0 "[ . 1 . 2]" 1
403 1 37 ARG HA 1 40 ILE MD . . 4.490 3.748 2.412 4.585 0.095 4 0 "[ . 1 . 2]" 1
404 1 37 ARG HA 1 51 VAL MG1 . . 3.830 3.533 2.392 3.949 0.119 1 0 "[ . 1 . 2]" 1
405 1 37 ARG HB3 1 38 SER H . . 4.150 3.167 2.579 4.109 . 0 0 "[ . 1 . 2]" 1
406 1 37 ARG HB3 1 39 GLN H . . 5.270 5.133 4.817 5.364 0.094 20 0 "[ . 1 . 2]" 1
407 1 37 ARG HB3 1 51 VAL MG1 . . 5.030 4.510 2.646 5.121 0.091 8 0 "[ . 1 . 2]" 1
408 1 37 ARG QG 1 38 SER H . . 5.500 3.914 2.265 4.791 . 0 0 "[ . 1 . 2]" 1
409 1 37 ARG QG 1 51 VAL MG1 . . 3.330 2.505 1.937 3.440 0.110 20 0 "[ . 1 . 2]" 1
410 1 38 SER H 1 38 SER HA . . 2.900 2.905 2.828 2.967 0.067 13 0 "[ . 1 . 2]" 1
411 1 38 SER H 1 38 SER QB . . 3.130 2.523 2.216 2.960 . 0 0 "[ . 1 . 2]" 1
412 1 39 GLN H 1 39 GLN HB2 . . 3.140 2.433 2.125 2.666 . 0 0 "[ . 1 . 2]" 1
413 1 39 GLN H 1 39 GLN HG2 . . 3.690 3.155 2.647 3.727 0.037 16 0 "[ . 1 . 2]" 1
414 1 39 GLN H 1 39 GLN HG3 . . 3.930 2.998 2.283 3.987 0.057 6 0 "[ . 1 . 2]" 1
415 1 39 GLN H 1 40 ILE H . . 3.520 2.837 2.568 3.009 . 0 0 "[ . 1 . 2]" 1
416 1 39 GLN H 1 40 ILE HB . . 4.810 4.834 4.506 4.896 0.086 5 0 "[ . 1 . 2]" 1
417 1 39 GLN HA 1 39 GLN HB3 . . 3.010 2.526 2.387 2.679 . 0 0 "[ . 1 . 2]" 1
418 1 39 GLN HA 1 39 GLN HG2 . . 3.530 2.425 2.245 2.711 . 0 0 "[ . 1 . 2]" 1
419 1 39 GLN HA 1 39 GLN HG3 . . 3.520 3.401 2.710 3.619 0.099 8 0 "[ . 1 . 2]" 1
420 1 39 GLN HA 1 42 HIS H . . 3.820 3.791 3.288 3.911 0.091 6 0 "[ . 1 . 2]" 1
421 1 39 GLN HB2 1 39 GLN HG2 . . 2.960 2.892 2.577 3.030 0.070 16 0 "[ . 1 . 2]" 1
422 1 39 GLN HB2 1 39 GLN HG3 . . 2.900 2.330 2.124 2.667 . 0 0 "[ . 1 . 2]" 1
423 1 39 GLN HB2 1 40 ILE H . . 3.630 2.272 2.103 2.642 . 0 0 "[ . 1 . 2]" 1
424 1 39 GLN HB2 1 40 ILE QG . . 5.410 4.093 3.309 4.505 . 0 0 "[ . 1 . 2]" 1
425 1 39 GLN HB3 1 40 ILE H . . 3.860 3.035 2.670 3.616 . 0 0 "[ . 1 . 2]" 1
426 1 39 GLN HG2 1 40 ILE H . . 4.730 4.656 4.338 4.807 0.077 20 0 "[ . 1 . 2]" 1
427 1 39 GLN HG3 1 40 ILE H . . 4.580 4.388 4.039 4.618 0.038 8 0 "[ . 1 . 2]" 1
428 1 40 ILE H 1 40 ILE HB . . 3.030 2.490 2.234 2.841 . 0 0 "[ . 1 . 2]" 1
429 1 40 ILE H 1 40 ILE MD . . 4.180 1.985 1.722 2.821 . 0 0 "[ . 1 . 2]" 1
430 1 40 ILE H 1 40 ILE QG . . 4.110 2.951 2.482 3.337 . 0 0 "[ . 1 . 2]" 1
431 1 40 ILE H 1 40 ILE MG . . 4.160 3.774 3.689 3.847 . 0 0 "[ . 1 . 2]" 1
432 1 40 ILE H 1 41 ALA MB . . 5.500 4.519 4.248 4.789 . 0 0 "[ . 1 . 2]" 1
433 1 40 ILE HA 1 40 ILE MD . . 4.220 3.389 2.981 3.743 . 0 0 "[ . 1 . 2]" 1
434 1 40 ILE HA 1 40 ILE QG . . 3.620 2.365 2.198 2.558 . 0 0 "[ . 1 . 2]" 1
435 1 40 ILE HA 1 40 ILE MG . . 3.160 2.488 2.293 2.735 . 0 0 "[ . 1 . 2]" 1
436 1 40 ILE HA 1 42 HIS H . . 4.260 3.982 3.652 4.321 0.061 7 0 "[ . 1 . 2]" 1
437 1 40 ILE HA 1 43 ALA H . . 4.300 3.290 2.865 3.734 . 0 0 "[ . 1 . 2]" 1
438 1 40 ILE HA 1 43 ALA MB . . 3.220 2.367 1.975 3.309 0.089 14 0 "[ . 1 . 2]" 1
439 1 40 ILE HA 1 44 LEU H . . 4.910 3.769 2.953 4.401 . 0 0 "[ . 1 . 2]" 1
440 1 40 ILE HA 1 44 LEU QD . . 4.200 3.373 2.648 3.887 . 0 0 "[ . 1 . 2]" 1
441 1 40 ILE HB 1 40 ILE MD . . 2.790 2.294 2.140 2.398 . 0 0 "[ . 1 . 2]" 1
442 1 40 ILE HB 1 40 ILE QG . . 2.690 2.520 2.430 2.603 . 0 0 "[ . 1 . 2]" 1
443 1 40 ILE HB 1 41 ALA H . . 3.540 2.825 2.503 3.113 . 0 0 "[ . 1 . 2]" 1
444 1 40 ILE MD 1 40 ILE MG . . 3.140 3.077 2.389 3.254 0.114 8 0 "[ . 1 . 2]" 1
445 1 40 ILE QG 1 44 LEU QD . . 3.390 3.283 2.524 3.473 0.083 1 0 "[ . 1 . 2]" 1
446 1 40 ILE MG 1 41 ALA H . . 3.660 3.463 2.892 3.740 0.080 19 0 "[ . 1 . 2]" 1
447 1 40 ILE MG 1 41 ALA MB . . 5.110 4.084 3.368 4.542 . 0 0 "[ . 1 . 2]" 1
448 1 40 ILE MG 1 42 HIS H . . 5.500 4.780 4.576 5.124 . 0 0 "[ . 1 . 2]" 1
449 1 40 ILE MG 1 44 LEU QD . . 2.850 2.084 1.901 2.946 0.096 14 0 "[ . 1 . 2]" 1
450 1 41 ALA H 1 41 ALA MB . . 2.850 2.252 2.200 2.297 . 0 0 "[ . 1 . 2]" 1
451 1 41 ALA H 1 51 VAL MG2 . . 4.020 3.869 3.368 4.126 0.106 1 0 "[ . 1 . 2]" 1
452 1 41 ALA HA 1 46 LEU H . . 3.950 3.534 2.992 4.011 0.061 14 0 "[ . 1 . 2]" 1
453 1 41 ALA HA 1 46 LEU HB2 . . 4.040 2.365 2.009 3.452 . 0 0 "[ . 1 . 2]" 1
454 1 41 ALA HA 1 46 LEU HB3 . . 4.340 3.593 3.064 4.402 0.062 15 0 "[ . 1 . 2]" 1
455 1 41 ALA HA 1 46 LEU MD2 . . 4.890 3.881 3.039 4.920 0.030 15 0 "[ . 1 . 2]" 1
456 1 41 ALA MB 1 42 HIS H . . 3.590 3.057 2.733 3.348 . 0 0 "[ . 1 . 2]" 1
457 1 41 ALA MB 1 46 LEU H . . 5.010 4.790 4.359 5.090 0.080 10 0 "[ . 1 . 2]" 1
458 1 41 ALA MB 1 48 GLU H . . 5.480 3.222 2.328 4.353 . 0 0 "[ . 1 . 2]" 1
459 1 41 ALA MB 1 48 GLU HA . . 3.490 2.794 2.230 3.357 . 0 0 "[ . 1 . 2]" 1
460 1 41 ALA MB 1 48 GLU HB2 . . 4.460 4.264 3.484 4.553 0.093 2 0 "[ . 1 . 2]" 1
461 1 41 ALA MB 1 48 GLU HB3 . . 4.420 4.145 2.252 4.516 0.096 9 0 "[ . 1 . 2]" 1
462 1 41 ALA MB 1 48 GLU HG2 . . 3.500 2.655 2.076 3.500 0.000 11 0 "[ . 1 . 2]" 1
463 1 41 ALA MB 1 48 GLU HG3 . . 4.000 2.797 2.098 4.100 0.100 17 0 "[ . 1 . 2]" 1
464 1 41 ALA MB 1 51 VAL H . . 5.500 4.807 4.335 5.601 0.101 15 0 "[ . 1 . 2]" 1
465 1 41 ALA MB 1 51 VAL HB . . 4.700 3.651 2.987 4.687 . 0 0 "[ . 1 . 2]" 1
466 1 41 ALA MB 1 51 VAL MG2 . . 3.120 2.455 2.199 3.009 . 0 0 "[ . 1 . 2]" 1
467 1 42 HIS H 1 43 ALA MB . . 4.880 3.711 3.434 4.008 . 0 0 "[ . 1 . 2]" 1
468 1 42 HIS HA 1 44 LEU H . . 4.870 4.483 3.982 4.957 0.087 10 0 "[ . 1 . 2]" 1
469 1 43 ALA H 1 43 ALA MB . . 2.820 2.326 2.173 2.597 . 0 0 "[ . 1 . 2]" 1
470 1 43 ALA H 1 44 LEU H . . 3.490 2.159 1.780 2.415 . 0 0 "[ . 1 . 2]" 1
471 1 43 ALA H 1 44 LEU HA . . 4.750 4.817 4.547 4.852 0.102 19 0 "[ . 1 . 2]" 1
472 1 43 ALA H 1 45 LYS H . . 5.170 4.907 4.328 5.254 0.084 15 0 "[ . 1 . 2]" 1
473 1 43 ALA MB 1 44 LEU H . . 3.260 2.659 2.152 3.279 0.019 15 0 "[ . 1 . 2]" 1
474 1 43 ALA MB 1 44 LEU HG . . 3.740 3.008 2.365 3.861 0.121 10 0 "[ . 1 . 2]" 1
475 1 44 LEU H 1 44 LEU QB . . 3.170 2.396 2.167 2.834 . 0 0 "[ . 1 . 2]" 1
476 1 44 LEU H 1 44 LEU QD . . 4.180 3.310 1.901 3.810 . 0 0 "[ . 1 . 2]" 1
477 1 44 LEU H 1 44 LEU HG . . 3.680 3.257 2.709 3.778 0.098 10 0 "[ . 1 . 2]" 1
478 1 44 LEU H 1 45 LYS H . . 3.480 3.057 2.817 3.567 0.087 15 0 "[ . 1 . 2]" 1
479 1 44 LEU H 1 45 LYS QG . . 5.500 5.440 4.777 5.592 0.092 9 0 "[ . 1 . 2]" 1
480 1 44 LEU H 1 46 LEU H . . 4.520 3.775 3.492 4.129 . 0 0 "[ . 1 . 2]" 1
481 1 44 LEU H 1 46 LEU MD1 . . 5.040 3.495 2.919 4.786 . 0 0 "[ . 1 . 2]" 1
482 1 44 LEU HA 1 44 LEU QD . . 2.820 2.348 2.078 2.824 0.004 17 0 "[ . 1 . 2]" 1
483 1 44 LEU HA 1 44 LEU HG . . 4.070 2.772 2.404 3.680 . 0 0 "[ . 1 . 2]" 1
484 1 44 LEU HA 1 45 LYS HB2 . . 5.040 5.136 4.475 6.019 0.979 3 4 "[ + . - 1 * . * 2]" 1
485 1 44 LEU HA 1 45 LYS QG . . 4.740 4.193 3.813 4.588 . 0 0 "[ . 1 . 2]" 1
486 1 44 LEU HA 1 46 LEU H . . 5.200 5.178 4.084 5.281 0.081 17 0 "[ . 1 . 2]" 1
487 1 44 LEU QB 1 46 LEU MD1 . . 5.000 2.037 1.949 2.200 . 0 0 "[ . 1 . 2]" 1
488 1 44 LEU QD 1 45 LYS H . . 5.320 3.506 3.360 3.728 . 0 0 "[ . 1 . 2]" 1
489 1 44 LEU QD 1 45 LYS QD . . 3.250 3.053 2.575 3.337 0.087 15 0 "[ . 1 . 2]" 1
490 1 44 LEU QD 1 46 LEU MD1 . . 3.970 2.270 1.965 2.529 . 0 0 "[ . 1 . 2]" 1
491 1 45 LYS H 1 45 LYS HA . . 2.890 2.872 2.702 2.944 0.054 2 0 "[ . 1 . 2]" 1
492 1 45 LYS H 1 45 LYS QG . . 3.610 3.454 2.286 3.724 0.114 8 0 "[ . 1 . 2]" 1
493 1 45 LYS H 1 46 LEU H . . 3.310 2.129 1.773 3.383 0.073 15 0 "[ . 1 . 2]" 1
494 1 45 LYS H 1 46 LEU MD1 . . 5.450 2.174 1.834 4.309 . 0 0 "[ . 1 . 2]" 1
495 1 45 LYS HA 1 45 LYS QD . . 4.340 3.835 3.601 4.178 . 0 0 "[ . 1 . 2]" 1
496 1 45 LYS HA 1 45 LYS QG . . 3.100 2.550 2.119 3.223 0.123 12 0 "[ . 1 . 2]" 1
497 1 45 LYS HA 1 46 LEU H . . 3.250 3.015 2.642 3.272 0.022 16 0 "[ . 1 . 2]" 1
498 1 45 LYS HB2 1 45 LYS QD . . 3.740 2.516 2.124 3.567 . 0 0 "[ . 1 . 2]" 1
499 1 45 LYS HB2 1 45 LYS HE3 . . 3.860 3.555 2.264 4.481 0.621 13 1 "[ . 1 + . 2]" 1
500 1 45 LYS HB2 1 46 LEU H . . 4.980 4.191 3.857 4.551 . 0 0 "[ . 1 . 2]" 1
501 1 45 LYS HE3 1 45 LYS QG . . 3.890 2.436 2.035 3.457 . 0 0 "[ . 1 . 2]" 1
502 1 45 LYS QG 1 46 LEU H . . 5.040 4.557 3.511 4.912 . 0 0 "[ . 1 . 2]" 1
503 1 46 LEU H 1 46 LEU HB2 . . 3.420 2.511 2.059 2.750 . 0 0 "[ . 1 . 2]" 1
504 1 46 LEU H 1 46 LEU MD1 . . 4.150 2.480 2.110 2.775 . 0 0 "[ . 1 . 2]" 1
505 1 46 LEU H 1 46 LEU MD2 . . 4.370 4.268 4.036 4.469 0.099 5 0 "[ . 1 . 2]" 1
506 1 46 LEU H 1 46 LEU HG . . 3.990 3.932 3.664 4.061 0.071 15 0 "[ . 1 . 2]" 1
507 1 46 LEU H 1 47 SER H . . 4.530 4.505 4.365 4.597 0.067 16 0 "[ . 1 . 2]" 1
508 1 46 LEU HA 1 46 LEU MD1 . . 3.200 3.111 2.722 3.254 0.054 4 0 "[ . 1 . 2]" 1
509 1 46 LEU HA 1 47 SER H . . 3.120 2.554 2.194 2.826 . 0 0 "[ . 1 . 2]" 1
510 1 46 LEU HB2 1 46 LEU MD2 . . 3.370 2.521 2.406 2.623 . 0 0 "[ . 1 . 2]" 1
511 1 46 LEU HB2 1 47 SER H . . 3.920 3.507 2.957 3.993 0.073 9 0 "[ . 1 . 2]" 1
512 1 46 LEU HB3 1 46 LEU MD1 . . 3.100 3.185 3.141 3.206 0.106 18 0 "[ . 1 . 2]" 1
513 1 46 LEU HB3 1 46 LEU MD2 . . 3.500 2.234 2.176 2.306 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU HB3 1 47 SER H . . 3.650 2.259 1.877 2.976 . 0 0 "[ . 1 . 2]" 1
515 1 46 LEU MD2 1 47 SER H . . 4.720 3.920 3.048 4.643 . 0 0 "[ . 1 . 2]" 1
516 1 46 LEU HG 1 47 SER H . . 5.210 4.000 2.903 4.392 . 0 0 "[ . 1 . 2]" 1
517 1 47 SER H 1 47 SER HB2 . . 3.710 2.837 2.165 3.320 . 0 0 "[ . 1 . 2]" 1
518 1 47 SER H 1 47 SER HB3 . . 3.950 3.261 2.681 3.888 . 0 0 "[ . 1 . 2]" 1
519 1 47 SER H 1 50 GLN H . . 4.640 4.157 3.659 4.570 . 0 0 "[ . 1 . 2]" 1
520 1 47 SER H 1 50 GLN HB2 . . 4.460 3.459 2.858 4.065 . 0 0 "[ . 1 . 2]" 1
521 1 47 SER H 1 50 GLN HB3 . . 3.960 3.501 3.026 4.043 0.083 18 0 "[ . 1 . 2]" 1
522 1 47 SER H 1 50 GLN QG . . 4.700 4.514 3.949 4.794 0.094 20 0 "[ . 1 . 2]" 1
523 1 47 SER H 1 51 VAL MG2 . . 3.700 3.131 2.501 3.782 0.082 1 0 "[ . 1 . 2]" 1
524 1 47 SER HA 1 49 VAL H . . 4.730 4.233 3.680 4.741 0.011 2 0 "[ . 1 . 2]" 1
525 1 47 SER HB2 1 48 GLU H . . 4.970 4.243 3.851 4.634 . 0 0 "[ . 1 . 2]" 1
526 1 47 SER HB3 1 48 GLU H . . 4.540 3.716 3.098 4.300 . 0 0 "[ . 1 . 2]" 1
527 1 47 SER HB3 1 49 VAL H . . 3.960 3.597 2.593 4.309 0.349 11 0 "[ . 1 . 2]" 1
528 1 47 SER HB3 1 51 VAL MG2 . . 5.030 4.964 4.385 5.704 0.674 1 1 "[+ . 1 . 2]" 1
529 1 48 GLU H 1 48 GLU HG3 . . 4.590 2.602 2.024 3.796 . 0 0 "[ . 1 . 2]" 1
530 1 48 GLU H 1 49 VAL H . . 4.050 2.981 2.669 3.267 . 0 0 "[ . 1 . 2]" 1
531 1 48 GLU HA 1 48 GLU HG2 . . 3.770 2.706 2.330 3.841 0.071 17 0 "[ . 1 . 2]" 1
532 1 48 GLU HA 1 48 GLU HG3 . . 3.780 3.030 2.250 3.686 . 0 0 "[ . 1 . 2]" 1
533 1 48 GLU HA 1 51 VAL H . . 4.790 3.384 2.873 3.972 . 0 0 "[ . 1 . 2]" 1
534 1 48 GLU HA 1 51 VAL MG2 . . 3.860 2.903 2.155 3.470 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLU HG2 1 49 VAL H . . 5.500 5.002 3.608 5.426 . 0 0 "[ . 1 . 2]" 1
536 1 48 GLU HG3 1 49 VAL H . . 5.350 4.542 2.019 5.119 . 0 0 "[ . 1 . 2]" 1
537 1 49 VAL H 1 49 VAL HB . . 3.340 2.478 2.347 2.818 . 0 0 "[ . 1 . 2]" 1
538 1 49 VAL H 1 49 VAL QG . . 3.260 2.098 1.880 2.254 . 0 0 "[ . 1 . 2]" 1
539 1 49 VAL H 1 50 GLN H . . 3.650 2.784 2.525 2.986 . 0 0 "[ . 1 . 2]" 1
540 1 49 VAL H 1 52 LYS H . . 5.480 4.945 4.601 5.376 . 0 0 "[ . 1 . 2]" 1
541 1 49 VAL HA 1 49 VAL QG . . 3.120 2.185 2.107 2.404 . 0 0 "[ . 1 . 2]" 1
542 1 49 VAL HA 1 52 LYS QB . . 3.840 3.190 2.261 3.827 . 0 0 "[ . 1 . 2]" 1
543 1 49 VAL HA 1 52 LYS QE . . 4.130 3.014 1.881 4.009 . 0 0 "[ . 1 . 2]" 1
544 1 49 VAL HA 1 53 ILE MD . . 4.250 4.289 4.061 4.364 0.114 6 0 "[ . 1 . 2]" 1
545 1 49 VAL HB 1 50 GLN H . . 3.990 3.034 2.266 4.071 0.081 20 0 "[ . 1 . 2]" 1
546 1 49 VAL QG 1 50 GLN H . . 3.740 3.003 2.113 3.498 . 0 0 "[ . 1 . 2]" 1
547 1 49 VAL QG 1 50 GLN HA . . 4.250 3.411 3.158 3.922 . 0 0 "[ . 1 . 2]" 1
548 1 49 VAL QG 1 50 GLN HG2 . . 4.440 4.160 3.326 4.458 0.018 14 0 "[ . 1 . 2]" 1
549 1 49 VAL QG 1 52 LYS QD . . 4.120 3.693 3.074 4.117 . 0 0 "[ . 1 . 2]" 1
550 1 49 VAL QG 1 52 LYS QE . . 4.250 2.793 2.138 3.469 . 0 0 "[ . 1 . 2]" 1
551 1 50 GLN H 1 50 GLN HB2 . . 3.310 2.088 1.989 2.191 . 0 0 "[ . 1 . 2]" 1
552 1 50 GLN H 1 50 GLN HB3 . . 3.500 3.063 2.827 3.254 . 0 0 "[ . 1 . 2]" 1
553 1 50 GLN H 1 50 GLN HG2 . . 3.900 3.816 3.440 3.916 0.016 14 0 "[ . 1 . 2]" 1
554 1 50 GLN H 1 50 GLN QG . . 3.570 3.603 3.303 3.661 0.091 10 0 "[ . 1 . 2]" 1
555 1 50 GLN H 1 52 LYS H . . 4.920 4.159 3.871 4.490 . 0 0 "[ . 1 . 2]" 1
556 1 50 GLN HA 1 50 GLN HG2 . . 3.780 2.562 2.297 2.822 . 0 0 "[ . 1 . 2]" 1
557 1 50 GLN HA 1 50 GLN HG3 . . 3.900 3.621 3.559 3.722 . 0 0 "[ . 1 . 2]" 1
558 1 50 GLN HA 1 51 VAL HA . . 4.820 4.856 4.791 4.884 0.064 12 0 "[ . 1 . 2]" 1
559 1 50 GLN HA 1 52 LYS H . . 5.140 4.349 4.018 4.778 . 0 0 "[ . 1 . 2]" 1
560 1 50 GLN HA 1 53 ILE H . . 4.690 3.675 3.376 3.897 . 0 0 "[ . 1 . 2]" 1
561 1 50 GLN HA 1 53 ILE HB . . 4.330 3.586 3.013 4.257 . 0 0 "[ . 1 . 2]" 1
562 1 50 GLN HA 1 53 ILE MD . . 5.100 2.214 2.036 2.462 . 0 0 "[ . 1 . 2]" 1
563 1 50 GLN HB2 1 51 VAL MG2 . . 4.390 4.169 3.724 4.468 0.078 1 0 "[ . 1 . 2]" 1
564 1 50 GLN HB3 1 51 VAL H . . 4.060 2.899 2.691 3.115 . 0 0 "[ . 1 . 2]" 1
565 1 50 GLN HB3 1 51 VAL MG2 . . 4.210 3.365 3.034 3.821 . 0 0 "[ . 1 . 2]" 1
566 1 50 GLN HB3 1 53 ILE MD . . 5.210 4.692 4.446 5.048 . 0 0 "[ . 1 . 2]" 1
567 1 50 GLN HE21 1 51 VAL HA . . 5.160 4.505 3.578 5.225 0.065 3 0 "[ . 1 . 2]" 1
568 1 50 GLN HE21 1 51 VAL MG2 . . 5.500 4.689 3.835 5.286 . 0 0 "[ . 1 . 2]" 1
569 1 50 GLN HE22 1 50 GLN HG2 . . 4.030 4.096 4.035 4.109 0.079 20 0 "[ . 1 . 2]" 1
570 1 50 GLN HE22 1 50 GLN HG3 . . 4.090 3.682 3.539 3.959 . 0 0 "[ . 1 . 2]" 1
571 1 50 GLN HE22 1 51 VAL HA . . 5.500 5.025 4.090 5.566 0.066 18 0 "[ . 1 . 2]" 1
572 1 50 GLN HE22 1 53 ILE MG . . 5.500 4.419 3.579 5.512 0.012 14 0 "[ . 1 . 2]" 1
573 1 50 GLN QG 1 51 VAL H . . 5.400 4.594 4.436 4.694 . 0 0 "[ . 1 . 2]" 1
574 1 51 VAL H 1 51 VAL HB . . 3.240 2.439 2.288 2.770 . 0 0 "[ . 1 . 2]" 1
575 1 51 VAL H 1 51 VAL MG2 . . 3.180 2.172 1.846 2.390 . 0 0 "[ . 1 . 2]" 1
576 1 51 VAL H 1 52 LYS H . . 3.540 2.755 2.606 2.907 . 0 0 "[ . 1 . 2]" 1
577 1 51 VAL H 1 53 ILE H . . 5.070 4.296 4.038 4.608 . 0 0 "[ . 1 . 2]" 1
578 1 51 VAL H 1 53 ILE MD . . 4.760 4.685 4.278 4.862 0.102 12 0 "[ . 1 . 2]" 1
579 1 51 VAL HA 1 51 VAL MG1 . . 3.150 2.502 2.317 2.623 . 0 0 "[ . 1 . 2]" 1
580 1 51 VAL HB 1 52 LYS H . . 3.700 2.808 2.565 3.124 . 0 0 "[ . 1 . 2]" 1
581 1 51 VAL MG1 1 52 LYS H . . 4.570 3.541 3.257 3.908 . 0 0 "[ . 1 . 2]" 1
582 1 51 VAL MG1 1 52 LYS HA . . 5.120 3.707 3.346 4.175 . 0 0 "[ . 1 . 2]" 1
583 1 51 VAL MG1 1 55 PHE H . . 5.500 4.512 3.941 4.976 . 0 0 "[ . 1 . 2]" 1
584 1 51 VAL MG1 1 55 PHE QD . . 3.890 3.721 2.845 4.007 0.117 13 0 "[ . 1 . 2]" 1
585 1 51 VAL MG1 1 55 PHE QE . . 3.640 2.666 2.076 3.610 . 0 0 "[ . 1 . 2]" 1
586 1 51 VAL MG2 1 52 LYS H . . 4.180 4.013 3.671 4.232 0.052 9 0 "[ . 1 . 2]" 1
587 1 52 LYS H 1 52 LYS QB . . 3.110 2.167 2.002 2.346 . 0 0 "[ . 1 . 2]" 1
588 1 52 LYS H 1 52 LYS QD . . 4.920 4.236 3.151 4.744 . 0 0 "[ . 1 . 2]" 1
589 1 52 LYS H 1 53 ILE MD . . 5.420 4.147 3.130 4.802 . 0 0 "[ . 1 . 2]" 1
590 1 52 LYS H 1 53 ILE HG13 . . 5.310 4.807 4.320 5.361 0.051 1 0 "[ . 1 . 2]" 1
591 1 52 LYS HA 1 52 LYS QG . . 3.700 2.680 2.218 3.406 . 0 0 "[ . 1 . 2]" 1
592 1 52 LYS HA 1 55 PHE H . . 4.900 4.198 3.536 4.968 0.068 15 0 "[ . 1 . 2]" 1
593 1 52 LYS QB 1 52 LYS QE . . 4.240 2.534 2.003 3.664 . 0 0 "[ . 1 . 2]" 1
594 1 52 LYS QB 1 53 ILE H . . 4.260 3.144 2.468 3.901 . 0 0 "[ . 1 . 2]" 1
595 1 52 LYS QE 1 53 ILE MD . . 4.080 3.501 2.147 4.199 0.119 12 0 "[ . 1 . 2]" 1
596 1 52 LYS QG 1 55 PHE QE . . 4.930 4.506 2.889 5.054 0.124 13 0 "[ . 1 . 2]" 1
597 1 53 ILE H 1 53 ILE HB . . 3.100 2.480 2.359 2.680 . 0 0 "[ . 1 . 2]" 1
598 1 53 ILE H 1 53 ILE MD . . 4.270 2.669 1.850 3.278 . 0 0 "[ . 1 . 2]" 1
599 1 53 ILE H 1 53 ILE HG12 . . 4.410 4.016 3.603 4.319 . 0 0 "[ . 1 . 2]" 1
600 1 53 ILE H 1 53 ILE HG13 . . 3.790 2.765 2.205 3.116 . 0 0 "[ . 1 . 2]" 1
601 1 53 ILE H 1 53 ILE MG . . 4.000 3.813 3.745 3.924 . 0 0 "[ . 1 . 2]" 1
602 1 53 ILE H 1 54 TRP H . . 4.320 2.334 1.963 2.650 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE H 1 54 TRP HA . . 5.140 4.932 4.571 5.199 0.059 4 0 "[ . 1 . 2]" 1
604 1 53 ILE HA 1 53 ILE MD . . 3.830 3.790 3.519 3.924 0.094 7 0 "[ . 1 . 2]" 1
605 1 53 ILE HA 1 53 ILE HG13 . . 3.970 2.625 2.361 2.862 . 0 0 "[ . 1 . 2]" 1
606 1 53 ILE HA 1 53 ILE MG . . 3.370 2.384 2.179 2.525 . 0 0 "[ . 1 . 2]" 1
607 1 53 ILE HA 1 56 GLN H . . 4.630 2.937 2.534 3.245 . 0 0 "[ . 1 . 2]" 1
608 1 53 ILE HA 1 56 GLN HB2 . . 4.250 2.708 2.076 4.414 0.164 6 0 "[ . 1 . 2]" 1
609 1 53 ILE HA 1 56 GLN HB3 . . 4.340 3.176 2.057 4.406 0.066 18 0 "[ . 1 . 2]" 1
610 1 53 ILE HA 1 56 GLN QE . . 4.400 2.928 2.455 3.488 . 0 0 "[ . 1 . 2]" 1
611 1 53 ILE HA 1 57 ASN HD21 . . 5.460 5.123 4.116 6.063 0.603 3 1 "[ + . 1 . 2]" 1
612 1 53 ILE HB 1 53 ILE MD . . 3.600 2.220 2.159 2.331 . 0 0 "[ . 1 . 2]" 1
613 1 53 ILE HB 1 54 TRP H . . 3.770 3.099 2.884 3.240 . 0 0 "[ . 1 . 2]" 1
614 1 53 ILE HB 1 55 PHE H . . 5.160 5.237 5.218 5.248 0.088 3 0 "[ . 1 . 2]" 1
615 1 53 ILE MD 1 53 ILE MG . . 2.850 2.607 2.215 2.982 0.132 9 0 "[ . 1 . 2]" 1
616 1 53 ILE MD 1 54 TRP H . . 4.800 4.267 3.703 4.829 0.029 16 0 "[ . 1 . 2]" 1
617 1 53 ILE MD 1 56 GLN QE . . 5.500 4.568 3.870 5.155 . 0 0 "[ . 1 . 2]" 1
618 1 53 ILE HG12 1 53 ILE MG . . 2.840 2.175 2.105 2.265 . 0 0 "[ . 1 . 2]" 1
619 1 53 ILE HG13 1 53 ILE MG . . 3.740 3.030 2.784 3.207 . 0 0 "[ . 1 . 2]" 1
620 1 53 ILE HG13 1 56 GLN QE . . 5.500 3.707 2.757 4.606 . 0 0 "[ . 1 . 2]" 1
621 1 53 ILE MG 1 54 TRP H . . 5.200 3.898 3.608 4.001 . 0 0 "[ . 1 . 2]" 1
622 1 53 ILE MG 1 56 GLN HA . . 5.030 5.113 4.985 5.159 0.129 16 0 "[ . 1 . 2]" 1
623 1 53 ILE MG 1 56 GLN HB3 . . 5.500 2.941 2.460 4.712 . 0 0 "[ . 1 . 2]" 1
624 1 53 ILE MG 1 57 ASN HD21 . . 3.990 3.204 1.896 4.086 0.096 1 0 "[ . 1 . 2]" 1
625 1 53 ILE MG 1 57 ASN HD22 . . 3.800 2.925 2.142 3.865 0.065 9 0 "[ . 1 . 2]" 1
626 1 54 TRP H 1 54 TRP HB2 . . 4.140 2.355 2.146 2.586 . 0 0 "[ . 1 . 2]" 1
627 1 54 TRP H 1 54 TRP HB3 . . 3.360 2.592 2.343 2.804 . 0 0 "[ . 1 . 2]" 1
628 1 54 TRP H 1 55 PHE H . . 3.960 2.678 2.520 2.906 . 0 0 "[ . 1 . 2]" 1
629 1 54 TRP H 1 56 GLN H . . 5.500 4.123 3.916 4.487 . 0 0 "[ . 1 . 2]" 1
630 1 54 TRP HA 1 54 TRP HD1 . . 3.780 3.125 2.756 3.547 . 0 0 "[ . 1 . 2]" 1
631 1 54 TRP HA 1 57 ASN HB2 . . 4.430 3.787 2.645 5.183 0.753 18 1 "[ . 1 . + 2]" 1
632 1 54 TRP HA 1 57 ASN HD21 . . 5.500 3.189 2.071 5.218 . 0 0 "[ . 1 . 2]" 1
633 1 54 TRP HA 1 57 ASN HD22 . . 5.100 3.775 2.191 5.172 0.072 19 0 "[ . 1 . 2]" 1
634 1 54 TRP HB2 1 54 TRP HE1 . . 5.230 4.767 4.680 4.829 . 0 0 "[ . 1 . 2]" 1
635 1 54 TRP HB2 1 55 PHE H . . 4.310 3.847 3.647 4.202 . 0 0 "[ . 1 . 2]" 1
636 1 54 TRP HE3 1 55 PHE H . . 4.540 3.668 2.668 4.293 . 0 0 "[ . 1 . 2]" 1
637 1 54 TRP HE3 1 55 PHE HA . . 3.730 3.484 2.855 3.818 0.088 8 0 "[ . 1 . 2]" 1
638 1 54 TRP HE3 1 55 PHE QD . . 3.720 3.319 2.585 3.795 0.075 14 0 "[ . 1 . 2]" 1
639 1 55 PHE H 1 55 PHE HB2 . . 3.220 2.914 2.469 3.824 0.604 11 4 "[ * . - 1+ * 2]" 1
640 1 55 PHE H 1 55 PHE HB3 . . 3.860 3.459 2.799 3.694 . 0 0 "[ . 1 . 2]" 1
641 1 55 PHE H 1 55 PHE QD . . 3.810 2.795 2.140 3.185 . 0 0 "[ . 1 . 2]" 1
642 1 55 PHE H 1 56 GLN H . . 3.690 2.682 2.298 3.080 . 0 0 "[ . 1 . 2]" 1
643 1 55 PHE HA 1 55 PHE QD . . 4.030 2.808 2.246 3.770 . 0 0 "[ . 1 . 2]" 1
644 1 55 PHE HA 1 58 ARG H . . 4.220 3.311 2.731 3.812 . 0 0 "[ . 1 . 2]" 1
645 1 55 PHE HA 1 58 ARG QB . . 4.320 2.932 2.171 3.841 . 0 0 "[ . 1 . 2]" 1
646 1 55 PHE HB2 1 56 GLN H . . 4.330 3.143 2.417 4.012 . 0 0 "[ . 1 . 2]" 1
647 1 55 PHE HB3 1 56 GLN H . . 5.330 3.994 3.616 4.343 . 0 0 "[ . 1 . 2]" 1
648 1 55 PHE HB3 1 57 ASN H . . 5.500 5.447 4.738 6.057 0.557 18 1 "[ . 1 . + 2]" 1
649 1 55 PHE QD 1 56 GLN H . . 5.020 4.027 2.513 4.817 . 0 0 "[ . 1 . 2]" 1
650 1 55 PHE QD 1 58 ARG H . . 5.370 5.269 4.927 5.465 0.095 18 0 "[ . 1 . 2]" 1
651 1 56 GLN H 1 56 GLN HB2 . . 4.190 2.321 1.933 3.575 . 0 0 "[ . 1 . 2]" 1
652 1 56 GLN H 1 56 GLN QE . . 5.270 3.960 2.503 4.507 . 0 0 "[ . 1 . 2]" 1
653 1 56 GLN H 1 56 GLN QG . . 4.070 3.655 1.842 4.063 . 0 0 "[ . 1 . 2]" 1
654 1 56 GLN H 1 57 ASN H . . 3.610 2.726 2.500 2.915 . 0 0 "[ . 1 . 2]" 1
655 1 56 GLN HA 1 56 GLN QE . . 4.640 4.041 2.773 4.473 . 0 0 "[ . 1 . 2]" 1
656 1 56 GLN HB2 1 56 GLN QE . . 4.310 2.425 1.929 3.186 . 0 0 "[ . 1 . 2]" 1
657 1 56 GLN HB2 1 57 ASN H . . 4.260 3.820 3.097 4.542 0.282 16 0 "[ . 1 . 2]" 1
658 1 56 GLN HB3 1 56 GLN QE . . 4.370 3.089 1.825 4.008 . 0 0 "[ . 1 . 2]" 1
659 1 56 GLN HB3 1 57 ASN H . . 4.510 3.237 2.464 4.309 . 0 0 "[ . 1 . 2]" 1
660 1 57 ASN H 1 57 ASN HB2 . . 3.640 2.645 2.237 3.813 0.173 16 0 "[ . 1 . 2]" 1
661 1 57 ASN H 1 57 ASN HD21 . . 5.250 2.846 2.117 3.881 . 0 0 "[ . 1 . 2]" 1
662 1 57 ASN HA 1 59 ARG H . . 3.700 3.748 3.527 3.801 0.101 13 0 "[ . 1 . 2]" 1
663 1 57 ASN HA 1 60 ALA H . . 4.900 4.227 3.126 4.967 0.067 18 0 "[ . 1 . 2]" 1
664 1 57 ASN HB2 1 58 ARG H . . 4.370 2.990 2.127 4.406 0.036 18 0 "[ . 1 . 2]" 1
665 1 57 ASN HB3 1 58 ARG H . . 4.520 3.771 2.882 4.445 . 0 0 "[ . 1 . 2]" 1
666 1 58 ARG H 1 58 ARG QB . . 3.670 2.263 2.020 2.568 . 0 0 "[ . 1 . 2]" 1
667 1 58 ARG H 1 58 ARG HG2 . . 5.400 3.898 2.431 4.786 . 0 0 "[ . 1 . 2]" 1
668 1 58 ARG H 1 59 ARG H . . 3.850 2.858 2.160 3.752 . 0 0 "[ . 1 . 2]" 1
669 1 58 ARG H 1 60 ALA H . . 4.970 4.637 3.723 5.029 0.059 18 0 "[ . 1 . 2]" 1
670 1 58 ARG HA 1 60 ALA H . . 5.250 3.850 3.431 4.682 . 0 0 "[ . 1 . 2]" 1
671 1 58 ARG HA 1 61 LYS H . . 4.610 4.183 3.393 4.678 0.068 13 0 "[ . 1 . 2]" 1
672 1 58 ARG QB 1 59 ARG H . . 4.310 3.595 3.181 3.963 . 0 0 "[ . 1 . 2]" 1
673 1 58 ARG QB 1 59 ARG QG . . 5.020 4.138 3.396 4.743 . 0 0 "[ . 1 . 2]" 1
674 1 59 ARG H 1 60 ALA H . . 3.640 2.418 1.988 2.995 . 0 0 "[ . 1 . 2]" 1
675 1 59 ARG H 1 60 ALA MB . . 5.380 3.986 3.639 4.702 . 0 0 "[ . 1 . 2]" 1
676 1 59 ARG H 1 61 LYS H . . 4.830 4.224 2.873 4.897 0.067 17 0 "[ . 1 . 2]" 1
677 1 59 ARG HB2 1 60 ALA HA . . 4.880 4.822 4.094 5.804 0.924 12 3 "[ . - 1 + . * 2]" 1
678 1 60 ALA H 1 60 ALA MB . . 3.070 2.286 2.208 2.403 . 0 0 "[ . 1 . 2]" 1
679 1 60 ALA H 1 61 LYS H . . 3.640 2.437 2.034 2.584 . 0 0 "[ . 1 . 2]" 1
680 1 60 ALA H 1 61 LYS HB3 . . 4.680 4.754 4.714 4.769 0.089 14 0 "[ . 1 . 2]" 1
681 1 60 ALA HA 1 63 LYS H . . 4.240 3.508 2.949 4.257 0.017 15 0 "[ . 1 . 2]" 1
682 1 60 ALA HA 1 63 LYS HB2 . . 4.190 2.511 2.163 3.238 . 0 0 "[ . 1 . 2]" 1
683 1 60 ALA HA 1 63 LYS HB3 . . 3.860 3.807 3.073 3.936 0.076 12 0 "[ . 1 . 2]" 1
684 1 60 ALA HA 1 64 ARG H . . 4.080 4.053 3.734 4.155 0.075 15 0 "[ . 1 . 2]" 1
685 1 60 ALA MB 1 61 LYS H . . 3.440 3.036 2.259 3.531 0.091 11 0 "[ . 1 . 2]" 1
686 1 61 LYS H 1 61 LYS HB2 . . 3.360 2.412 2.242 2.601 . 0 0 "[ . 1 . 2]" 1
687 1 61 LYS H 1 61 LYS HB3 . . 3.320 2.529 2.332 2.773 . 0 0 "[ . 1 . 2]" 1
688 1 61 LYS H 1 61 LYS QD . . 5.400 4.398 4.157 4.591 . 0 0 "[ . 1 . 2]" 1
689 1 61 LYS H 1 61 LYS QG . . 4.620 3.962 3.877 4.054 . 0 0 "[ . 1 . 2]" 1
690 1 61 LYS H 1 62 TRP H . . 3.550 3.184 2.825 3.597 0.047 17 0 "[ . 1 . 2]" 1
691 1 61 LYS HA 1 61 LYS QD . . 4.580 3.889 3.334 4.171 . 0 0 "[ . 1 . 2]" 1
692 1 61 LYS HA 1 61 LYS QG . . 3.430 2.489 2.288 2.752 . 0 0 "[ . 1 . 2]" 1
693 1 61 LYS HA 1 64 ARG QB . . 4.160 3.581 2.602 4.082 . 0 0 "[ . 1 . 2]" 1
694 1 61 LYS HA 1 64 ARG HG3 . . 4.460 3.836 2.781 4.530 0.070 4 0 "[ . 1 . 2]" 1
695 1 61 LYS HB2 1 62 TRP H . . 4.040 3.866 3.703 4.107 0.067 7 0 "[ . 1 . 2]" 1
696 1 61 LYS HB3 1 61 LYS QD . . 3.280 2.347 2.195 2.522 . 0 0 "[ . 1 . 2]" 1
697 1 61 LYS HB3 1 62 TRP H . . 4.150 2.458 2.177 2.837 . 0 0 "[ . 1 . 2]" 1
698 1 61 LYS HB3 1 62 TRP HE3 . . 4.780 4.522 3.831 4.867 0.087 20 0 "[ . 1 . 2]" 1
699 1 61 LYS QD 1 62 TRP H . . 5.280 3.467 2.625 4.589 . 0 0 "[ . 1 . 2]" 1
700 1 61 LYS QD 1 62 TRP HD1 . . 4.360 3.392 2.464 4.337 . 0 0 "[ . 1 . 2]" 1
701 1 61 LYS QD 1 62 TRP HZ2 . . 4.730 4.187 3.317 4.669 . 0 0 "[ . 1 . 2]" 1
702 1 61 LYS QG 1 62 TRP H . . 5.500 3.660 3.134 4.247 . 0 0 "[ . 1 . 2]" 1
703 1 61 LYS QG 1 62 TRP HE1 . . 5.500 4.826 3.931 5.312 . 0 0 "[ . 1 . 2]" 1
704 1 62 TRP H 1 62 TRP HB2 . . 3.820 2.745 2.603 2.855 . 0 0 "[ . 1 . 2]" 1
705 1 62 TRP H 1 62 TRP HB3 . . 3.610 3.603 3.543 3.656 0.046 3 0 "[ . 1 . 2]" 1
706 1 62 TRP H 1 62 TRP HE3 . . 4.740 2.897 2.531 3.356 . 0 0 "[ . 1 . 2]" 1
707 1 62 TRP HA 1 62 TRP HD1 . . 3.890 3.037 2.733 3.297 . 0 0 "[ . 1 . 2]" 1
708 1 62 TRP HA 1 65 ILE H . . 4.650 3.653 3.292 4.244 . 0 0 "[ . 1 . 2]" 1
709 1 62 TRP HA 1 65 ILE HB . . 4.320 3.280 2.437 4.025 . 0 0 "[ . 1 . 2]" 1
710 1 62 TRP HA 1 65 ILE MD . . 4.740 3.610 2.362 4.784 0.044 15 0 "[ . 1 . 2]" 1
711 1 62 TRP HA 1 65 ILE MG . . 5.160 4.599 3.602 5.230 0.070 16 0 "[ . 1 . 2]" 1
712 1 62 TRP HA 1 66 LYS HB2 . . 4.520 4.440 4.005 4.601 0.081 8 0 "[ . 1 . 2]" 1
713 1 62 TRP HB2 1 62 TRP HE3 . . 4.180 2.493 2.346 2.579 . 0 0 "[ . 1 . 2]" 1
714 1 62 TRP HB2 1 63 LYS H . . 4.050 2.831 2.327 3.546 . 0 0 "[ . 1 . 2]" 1
715 1 62 TRP HB2 1 63 LYS QD . . 3.750 3.122 2.641 3.710 . 0 0 "[ . 1 . 2]" 1
716 1 62 TRP HB3 1 63 LYS H . . 4.660 4.011 3.582 4.476 . 0 0 "[ . 1 . 2]" 1
717 1 62 TRP HE3 1 63 LYS H . . 4.870 3.641 3.062 4.207 . 0 0 "[ . 1 . 2]" 1
718 1 62 TRP HZ3 1 63 LYS QD . . 4.690 4.759 4.648 4.782 0.092 7 0 "[ . 1 . 2]" 1
719 1 63 LYS H 1 63 LYS HB2 . . 3.350 2.151 2.094 2.216 . 0 0 "[ . 1 . 2]" 1
720 1 63 LYS H 1 63 LYS QB . . 3.200 2.129 2.075 2.190 . 0 0 "[ . 1 . 2]" 1
721 1 63 LYS H 1 63 LYS HB3 . . 3.350 3.412 3.372 3.433 0.083 11 0 "[ . 1 . 2]" 1
722 1 63 LYS H 1 63 LYS QD . . 3.570 2.623 2.116 3.125 . 0 0 "[ . 1 . 2]" 1
723 1 63 LYS H 1 63 LYS HG2 . . 4.110 4.218 4.032 4.434 0.324 15 0 "[ . 1 . 2]" 1
724 1 63 LYS H 1 63 LYS HG3 . . 5.220 3.945 3.433 4.166 . 0 0 "[ . 1 . 2]" 1
725 1 63 LYS H 1 64 ARG H . . 3.630 2.787 2.406 3.062 . 0 0 "[ . 1 . 2]" 1
726 1 63 LYS H 1 65 ILE H . . 5.210 4.267 3.429 4.954 . 0 0 "[ . 1 . 2]" 1
727 1 63 LYS HA 1 63 LYS HB2 . . 2.990 3.018 2.984 3.055 0.065 9 0 "[ . 1 . 2]" 1
728 1 63 LYS HA 1 63 LYS QD . . 4.210 2.896 2.322 3.436 . 0 0 "[ . 1 . 2]" 1
729 1 63 LYS HA 1 63 LYS HG2 . . 3.590 3.561 3.415 3.732 0.142 3 0 "[ . 1 . 2]" 1
730 1 63 LYS HA 1 63 LYS HG3 . . 3.710 2.303 2.155 2.598 . 0 0 "[ . 1 . 2]" 1
731 1 63 LYS HA 1 65 ILE H . . 5.250 4.076 3.282 4.958 . 0 0 "[ . 1 . 2]" 1
732 1 63 LYS HA 1 66 LYS H . . 5.170 3.308 2.629 3.855 . 0 0 "[ . 1 . 2]" 1
733 1 63 LYS HA 1 66 LYS HB2 . . 4.940 3.898 2.692 4.775 . 0 0 "[ . 1 . 2]" 1
734 1 63 LYS HA 1 66 LYS QD . . 4.460 4.453 3.935 4.556 0.096 9 0 "[ . 1 . 2]" 1
735 1 63 LYS HA 1 67 ALA H . . 5.300 4.706 3.475 5.374 0.074 3 0 "[ . 1 . 2]" 1
736 1 63 LYS QB 1 64 ARG H . . 2.980 2.783 2.338 3.058 0.078 1 0 "[ . 1 . 2]" 1
737 1 63 LYS HB2 1 63 LYS QD . . 2.620 2.417 2.199 2.607 . 0 0 "[ . 1 . 2]" 1
738 1 63 LYS HB2 1 63 LYS QE . . 4.280 3.992 3.741 4.250 . 0 0 "[ . 1 . 2]" 1
739 1 63 LYS HB2 1 64 ARG H . . 4.040 3.023 2.459 3.392 . 0 0 "[ . 1 . 2]" 1
740 1 63 LYS HB3 1 64 ARG H . . 3.830 3.267 2.774 3.622 . 0 0 "[ . 1 . 2]" 1
741 1 64 ARG H 1 64 ARG QB . . 3.390 2.218 1.938 2.380 . 0 0 "[ . 1 . 2]" 1
742 1 64 ARG H 1 64 ARG HG2 . . 3.940 3.158 2.371 4.008 0.068 1 0 "[ . 1 . 2]" 1
743 1 64 ARG H 1 64 ARG HG3 . . 3.900 3.354 2.461 4.019 0.119 6 0 "[ . 1 . 2]" 1
744 1 64 ARG H 1 65 ILE H . . 3.390 2.889 2.695 3.242 . 0 0 "[ . 1 . 2]" 1
745 1 64 ARG HA 1 64 ARG HG2 . . 4.080 3.138 2.146 4.152 0.072 14 0 "[ . 1 . 2]" 1
746 1 64 ARG HA 1 64 ARG HG3 . . 3.350 3.492 3.017 3.725 0.375 8 0 "[ . 1 . 2]" 1
747 1 64 ARG HA 1 67 ALA MB . . 3.750 3.187 2.364 3.827 0.077 4 0 "[ . 1 . 2]" 1
748 1 64 ARG QB 1 65 ILE H . . 4.370 3.277 2.196 3.902 . 0 0 "[ . 1 . 2]" 1
749 1 65 ILE H 1 65 ILE HB . . 2.960 2.456 2.260 2.705 . 0 0 "[ . 1 . 2]" 1
750 1 65 ILE H 1 65 ILE MD . . 4.070 3.702 1.859 4.132 0.062 18 0 "[ . 1 . 2]" 1
751 1 65 ILE H 1 65 ILE HG12 . . 3.590 3.563 2.285 3.742 0.152 8 0 "[ . 1 . 2]" 1
752 1 65 ILE H 1 65 ILE HG13 . . 3.660 2.595 2.041 3.668 0.008 15 0 "[ . 1 . 2]" 1
753 1 65 ILE H 1 65 ILE MG . . 4.140 3.786 3.679 3.897 . 0 0 "[ . 1 . 2]" 1
754 1 65 ILE H 1 67 ALA H . . 4.470 4.309 3.556 4.547 0.077 8 0 "[ . 1 . 2]" 1
755 1 65 ILE HA 1 65 ILE MD . . 3.760 3.720 2.175 3.854 0.094 19 0 "[ . 1 . 2]" 1
756 1 65 ILE HA 1 65 ILE HG12 . . 3.840 2.568 2.317 3.551 . 0 0 "[ . 1 . 2]" 1
757 1 65 ILE HA 1 65 ILE HG13 . . 3.490 3.070 2.374 3.811 0.321 15 0 "[ . 1 . 2]" 1
758 1 65 ILE HA 1 65 ILE MG . . 3.050 2.451 2.297 2.555 . 0 0 "[ . 1 . 2]" 1
759 1 65 ILE HB 1 65 ILE MD . . 3.220 2.511 2.333 3.289 0.069 15 0 "[ . 1 . 2]" 1
760 1 65 ILE HB 1 66 LYS H . . 3.620 2.736 2.250 3.625 0.005 8 0 "[ . 1 . 2]" 1
761 1 65 ILE HG12 1 65 ILE MG . . 3.320 2.495 2.139 3.228 . 0 0 "[ . 1 . 2]" 1
762 1 65 ILE HG13 1 65 ILE MG . . 3.220 3.171 2.346 3.266 0.046 7 0 "[ . 1 . 2]" 1
763 1 65 ILE MG 1 66 LYS H . . 3.900 3.497 2.895 4.020 0.120 8 0 "[ . 1 . 2]" 1
764 1 65 ILE MG 1 66 LYS HA . . 4.550 3.738 3.325 4.395 . 0 0 "[ . 1 . 2]" 1
765 1 66 LYS H 1 66 LYS HB2 . . 3.440 2.368 2.039 3.316 . 0 0 "[ . 1 . 2]" 1
766 1 66 LYS H 1 66 LYS HB3 . . 3.170 2.793 2.524 3.180 0.010 8 0 "[ . 1 . 2]" 1
767 1 66 LYS H 1 66 LYS QG . . 4.700 3.914 3.629 4.346 . 0 0 "[ . 1 . 2]" 1
768 1 66 LYS H 1 67 ALA H . . 3.620 3.099 2.292 3.499 . 0 0 "[ . 1 . 2]" 1
769 1 66 LYS HA 1 66 LYS HB2 . . 2.850 2.652 2.486 2.787 . 0 0 "[ . 1 . 2]" 1
770 1 66 LYS HA 1 66 LYS QD . . 3.630 3.182 2.502 3.734 0.104 3 0 "[ . 1 . 2]" 1
771 1 66 LYS HA 1 66 LYS QG . . 3.380 2.285 2.071 2.471 . 0 0 "[ . 1 . 2]" 1
772 1 66 LYS HB3 1 66 LYS QD . . 3.460 2.430 2.206 2.693 . 0 0 "[ . 1 . 2]" 1
773 1 67 ALA H 1 67 ALA MB . . 3.220 2.416 2.184 2.889 . 0 0 "[ . 1 . 2]" 1
774 1 67 ALA H 1 68 GLY H . . 4.320 4.123 2.532 4.403 0.083 11 0 "[ . 1 . 2]" 1
775 1 67 ALA HA 1 68 GLY QA . . 3.990 3.978 3.861 4.095 0.105 10 0 "[ . 1 . 2]" 1
776 1 67 ALA MB 1 68 GLY H . . 5.050 3.054 1.865 3.676 . 0 0 "[ . 1 . 2]" 1
777 1 69 ASN QB 1 70 VAL H . . 4.820 2.838 1.975 4.081 . 0 0 "[ . 1 . 2]" 1
778 1 69 ASN QB 1 70 VAL HA . . 4.630 4.353 3.687 4.539 . 0 0 "[ . 1 . 2]" 1
779 1 69 ASN QB 1 70 VAL QG . . 4.450 3.902 3.061 4.155 . 0 0 "[ . 1 . 2]" 1
780 1 69 ASN HD21 1 70 VAL H . . 4.800 3.531 2.327 4.879 0.079 13 0 "[ . 1 . 2]" 1
781 1 70 VAL H 1 71 SER H . . 4.640 4.307 3.732 4.665 0.025 10 0 "[ . 1 . 2]" 1
782 1 70 VAL QG 1 71 SER QB . . 4.350 3.831 2.916 4.308 . 0 0 "[ . 1 . 2]" 1
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