NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559564 |
2rsj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsj
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 1589
_Distance_constraint_stats_list.Viol_count 467
_Distance_constraint_stats_list.Viol_total 163.168
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.178 0.080 4 0 "[ . 1 . 2]"
1 9 ILE 0.206 0.052 13 0 "[ . 1 . 2]"
1 10 PHE 0.266 0.052 13 0 "[ . 1 . 2]"
1 11 THR 0.241 0.098 11 0 "[ . 1 . 2]"
1 12 CYS 0.089 0.026 11 0 "[ . 1 . 2]"
1 13 GLU 0.135 0.122 14 0 "[ . 1 . 2]"
1 14 TYR 0.072 0.022 1 0 "[ . 1 . 2]"
1 15 CYS 0.007 0.007 14 0 "[ . 1 . 2]"
1 16 ASN 0.007 0.007 14 0 "[ . 1 . 2]"
1 17 LYS 0.045 0.025 11 0 "[ . 1 . 2]"
1 18 VAL 0.173 0.098 11 0 "[ . 1 . 2]"
1 19 PHE 0.171 0.038 11 0 "[ . 1 . 2]"
1 20 LYS 0.259 0.053 6 0 "[ . 1 . 2]"
1 21 PHE 0.208 0.040 14 0 "[ . 1 . 2]"
1 22 LYS 0.199 0.110 15 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 1 0 "[ . 1 . 2]"
1 24 SER 0.032 0.008 15 0 "[ . 1 . 2]"
1 25 LEU 0.032 0.010 15 0 "[ . 1 . 2]"
1 26 GLN 0.121 0.076 9 0 "[ . 1 . 2]"
1 27 ALA 0.171 0.060 16 0 "[ . 1 . 2]"
1 28 HIS 0.093 0.059 17 0 "[ . 1 . 2]"
1 29 LEU 0.065 0.021 18 0 "[ . 1 . 2]"
1 30 ARG 0.748 0.143 18 0 "[ . 1 . 2]"
1 31 ILE 0.240 0.059 17 0 "[ . 1 . 2]"
1 32 HIS 0.052 0.018 1 0 "[ . 1 . 2]"
1 33 THR 0.015 0.004 3 0 "[ . 1 . 2]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.083 0.078 18 0 "[ . 1 . 2]"
1 37 PRO 0.545 0.078 18 0 "[ . 1 . 2]"
1 38 TYR 0.719 0.080 12 0 "[ . 1 . 2]"
1 39 LYS 0.615 0.058 7 0 "[ . 1 . 2]"
1 40 CYS 0.110 0.026 19 0 "[ . 1 . 2]"
1 41 PRO 0.073 0.062 13 0 "[ . 1 . 2]"
1 42 GLN 0.074 0.062 13 0 "[ . 1 . 2]"
1 43 CYS 0.200 0.038 13 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.289 0.038 13 0 "[ . 1 . 2]"
1 46 ALA 0.103 0.032 19 0 "[ . 1 . 2]"
1 47 SER 0.161 0.052 7 0 "[ . 1 . 2]"
1 48 ALA 0.278 0.059 12 0 "[ . 1 . 2]"
1 49 ILE 0.206 0.059 12 0 "[ . 1 . 2]"
1 50 LYS 0.165 0.080 12 0 "[ . 1 . 2]"
1 51 ALA 0.036 0.012 7 0 "[ . 1 . 2]"
1 52 ASN 0.081 0.034 2 0 "[ . 1 . 2]"
1 53 LEU 0.148 0.032 17 0 "[ . 1 . 2]"
1 54 ASN 0.031 0.012 14 0 "[ . 1 . 2]"
1 55 VAL 0.051 0.014 9 0 "[ . 1 . 2]"
1 56 HIS 0.209 0.036 14 0 "[ . 1 . 2]"
1 57 LEU 0.242 0.036 14 0 "[ . 1 . 2]"
1 58 ARG 0.084 0.030 13 0 "[ . 1 . 2]"
1 59 LYS 0.170 0.098 9 0 "[ . 1 . 2]"
1 60 HIS 0.048 0.012 9 0 "[ . 1 . 2]"
1 61 THR 0.002 0.002 6 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.197 0.164 15 0 "[ . 1 . 2]"
1 64 LYS 0.296 0.078 16 0 "[ . 1 . 2]"
1 65 PHE 0.093 0.028 16 0 "[ . 1 . 2]"
1 66 ALA 0.003 0.003 16 0 "[ . 1 . 2]"
1 67 CYS 0.012 0.003 7 0 "[ . 1 . 2]"
1 68 ASP 0.009 0.004 7 0 "[ . 1 . 2]"
1 69 TYR 0.013 0.004 7 0 "[ . 1 . 2]"
1 70 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.007 0.003 12 0 "[ . 1 . 2]"
1 73 THR 0.025 0.013 16 0 "[ . 1 . 2]"
1 74 CYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 75 LEU 0.007 0.007 12 0 "[ . 1 . 2]"
1 76 SER 0.003 0.003 14 0 "[ . 1 . 2]"
1 77 LYS 0.007 0.006 7 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 0.001 0.001 3 0 "[ . 1 . 2]"
1 80 LEU 0.016 0.007 7 0 "[ . 1 . 2]"
1 81 LYS 0.003 0.001 14 0 "[ . 1 . 2]"
1 82 VAL 0.066 0.030 10 0 "[ . 1 . 2]"
1 83 HIS 0.034 0.014 14 0 "[ . 1 . 2]"
1 84 ILE 0.816 0.119 20 0 "[ . 1 . 2]"
1 85 GLU 0.519 0.073 10 0 "[ . 1 . 2]"
1 86 ARG 0.554 0.126 15 0 "[ . 1 . 2]"
1 87 VAL 0.092 0.033 7 0 "[ . 1 . 2]"
1 88 HIS 0.059 0.018 7 0 "[ . 1 . 2]"
1 89 LYS 0.971 0.119 20 0 "[ . 1 . 2]"
1 90 LYS 0.066 0.066 3 0 "[ . 1 . 2]"
1 91 ILE 0.166 0.066 3 0 "[ . 1 . 2]"
1 92 LYS 0.256 0.085 19 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 7 GLY QA 1 8 LYS QB . . 4.610 3.957 3.590 4.513 . 0 0 "[ . 1 . 2]" 1
2 1 8 LYS HA 1 8 LYS QE . . 5.290 4.612 3.625 5.370 0.080 4 0 "[ . 1 . 2]" 1
3 1 8 LYS HA 1 8 LYS QG . . 3.730 2.915 2.167 3.420 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS HA 1 9 ILE H . . 2.830 2.465 2.175 2.643 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS HA 1 9 ILE MD . . 4.650 4.533 4.240 4.647 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS HA 1 9 ILE HG12 . . 4.790 4.726 4.589 4.787 . 0 0 "[ . 1 . 2]" 1
7 1 8 LYS HA 1 9 ILE HG13 . . 3.910 3.259 3.133 3.332 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS QB 1 9 ILE H . . 3.590 2.568 1.923 3.593 0.003 9 0 "[ . 1 . 2]" 1
9 1 8 LYS QB 1 10 PHE QE . . 5.500 4.341 2.554 5.089 . 0 0 "[ . 1 . 2]" 1
10 1 8 LYS QB 1 10 PHE HZ . . 5.500 4.567 2.783 5.495 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS QD 1 10 PHE QE . . 4.390 3.460 2.626 4.308 . 0 0 "[ . 1 . 2]" 1
12 1 8 LYS QD 1 10 PHE HZ . . 5.270 3.489 2.394 4.877 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS QE 1 8 LYS QG . . 3.260 2.252 2.027 2.586 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS QE 1 10 PHE HZ . . 5.500 3.994 2.129 5.495 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS QG 1 9 ILE H . . 3.930 2.971 2.043 3.946 0.016 5 0 "[ . 1 . 2]" 1
16 1 8 LYS QG 1 10 PHE QD . . 5.340 4.422 3.569 5.363 0.023 5 0 "[ . 1 . 2]" 1
17 1 8 LYS QG 1 10 PHE QE . . 5.130 3.679 2.805 4.499 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS QG 1 10 PHE HZ . . 5.320 4.059 3.072 5.058 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE H 1 9 ILE HB . . 3.720 2.789 2.676 2.986 . 0 0 "[ . 1 . 2]" 1
20 1 9 ILE H 1 9 ILE MD . . 4.630 3.966 3.548 4.343 . 0 0 "[ . 1 . 2]" 1
21 1 9 ILE H 1 9 ILE HG12 . . 4.150 3.966 3.561 4.149 . 0 0 "[ . 1 . 2]" 1
22 1 9 ILE H 1 9 ILE HG13 . . 4.100 2.748 2.183 3.094 . 0 0 "[ . 1 . 2]" 1
23 1 9 ILE H 1 9 ILE MG . . 4.020 3.905 3.832 3.984 . 0 0 "[ . 1 . 2]" 1
24 1 9 ILE H 1 10 PHE H . . 4.480 4.402 4.201 4.532 0.052 13 0 "[ . 1 . 2]" 1
25 1 9 ILE HA 1 9 ILE MD . . 4.080 3.892 3.850 3.958 . 0 0 "[ . 1 . 2]" 1
26 1 9 ILE HA 1 9 ILE HG12 . . 4.210 2.669 2.581 2.820 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE HA 1 9 ILE MG . . 3.290 2.264 2.131 2.373 . 0 0 "[ . 1 . 2]" 1
28 1 9 ILE HA 1 10 PHE H . . 2.920 2.217 2.168 2.285 . 0 0 "[ . 1 . 2]" 1
29 1 9 ILE HA 1 10 PHE HB2 . . 4.970 4.603 4.397 4.798 . 0 0 "[ . 1 . 2]" 1
30 1 9 ILE HA 1 10 PHE QD . . 4.130 3.836 3.146 4.130 . 0 0 "[ . 1 . 2]" 1
31 1 9 ILE HA 1 18 VAL QG . . 4.540 4.121 3.664 4.354 . 0 0 "[ . 1 . 2]" 1
32 1 9 ILE HA 1 19 PHE H . . 5.500 5.281 4.546 5.519 0.019 11 0 "[ . 1 . 2]" 1
33 1 9 ILE HB 1 9 ILE MD . . 3.480 2.332 2.233 2.406 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE HB 1 10 PHE H . . 4.070 3.898 3.758 4.072 0.002 14 0 "[ . 1 . 2]" 1
35 1 9 ILE HB 1 18 VAL QG . . 4.060 3.946 3.777 4.053 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE MD 1 10 PHE H . . 5.050 4.955 4.781 5.059 0.009 13 0 "[ . 1 . 2]" 1
37 1 9 ILE HG12 1 9 ILE MG . . 3.400 2.343 2.265 2.437 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE HG12 1 10 PHE H . . 4.630 4.399 4.246 4.609 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE HG13 1 9 ILE MG . . 3.640 3.191 3.178 3.199 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE MG 1 10 PHE H . . 3.850 2.200 1.901 2.491 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE MG 1 10 PHE HA . . 4.550 3.839 3.650 4.066 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE MG 1 10 PHE QD . . 4.840 4.397 3.928 4.660 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE MG 1 11 THR HB . . 5.040 4.606 3.849 5.013 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE MG 1 11 THR MG . . 4.520 4.283 4.090 4.516 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE MG 1 18 VAL HB . . 4.340 4.232 3.554 4.341 0.001 12 0 "[ . 1 . 2]" 1
46 1 9 ILE MG 1 19 PHE H . . 4.820 3.454 3.145 3.928 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE MG 1 20 LYS HA . . 4.140 3.863 3.486 4.146 0.006 11 0 "[ . 1 . 2]" 1
48 1 10 PHE H 1 10 PHE HB2 . . 3.580 2.586 2.406 2.872 . 0 0 "[ . 1 . 2]" 1
49 1 10 PHE H 1 10 PHE HB3 . . 3.920 3.718 3.637 3.845 . 0 0 "[ . 1 . 2]" 1
50 1 10 PHE H 1 10 PHE QD . . 3.620 2.879 2.287 3.448 . 0 0 "[ . 1 . 2]" 1
51 1 10 PHE H 1 18 VAL QG . . 4.220 3.343 2.938 3.759 . 0 0 "[ . 1 . 2]" 1
52 1 10 PHE H 1 19 PHE H . . 4.000 3.396 2.701 3.703 . 0 0 "[ . 1 . 2]" 1
53 1 10 PHE H 1 20 LYS HA . . 4.610 4.014 3.628 4.327 . 0 0 "[ . 1 . 2]" 1
54 1 10 PHE HA 1 10 PHE QD . . 4.020 2.712 2.321 3.097 . 0 0 "[ . 1 . 2]" 1
55 1 10 PHE HA 1 11 THR H . . 3.060 2.188 2.140 2.250 . 0 0 "[ . 1 . 2]" 1
56 1 10 PHE HA 1 25 LEU QD . . 4.130 3.667 3.330 3.997 . 0 0 "[ . 1 . 2]" 1
57 1 10 PHE HB2 1 11 THR H . . 4.470 4.416 4.360 4.501 0.031 11 0 "[ . 1 . 2]" 1
58 1 10 PHE HB2 1 19 PHE H . . 4.380 3.233 2.904 3.619 . 0 0 "[ . 1 . 2]" 1
59 1 10 PHE HB2 1 19 PHE HB2 . . 4.080 2.704 2.336 3.013 . 0 0 "[ . 1 . 2]" 1
60 1 10 PHE HB2 1 19 PHE HB3 . . 4.460 4.179 3.791 4.474 0.014 11 0 "[ . 1 . 2]" 1
61 1 10 PHE HB2 1 19 PHE QD . . 4.480 4.024 3.655 4.403 . 0 0 "[ . 1 . 2]" 1
62 1 10 PHE HB2 1 20 LYS HA . . 5.300 4.953 4.632 5.205 . 0 0 "[ . 1 . 2]" 1
63 1 10 PHE HB2 1 25 LEU HB2 . . 4.810 3.502 3.204 3.873 . 0 0 "[ . 1 . 2]" 1
64 1 10 PHE HB2 1 25 LEU QB . . 4.060 3.285 2.992 3.652 . 0 0 "[ . 1 . 2]" 1
65 1 10 PHE HB2 1 25 LEU HB3 . . 4.810 3.994 3.586 4.471 . 0 0 "[ . 1 . 2]" 1
66 1 10 PHE HB2 1 25 LEU MD1 . . 4.950 4.247 3.475 4.666 . 0 0 "[ . 1 . 2]" 1
67 1 10 PHE HB2 1 25 LEU QD . . 3.460 3.086 2.611 3.408 . 0 0 "[ . 1 . 2]" 1
68 1 10 PHE HB2 1 25 LEU MD2 . . 4.950 3.178 2.628 3.503 . 0 0 "[ . 1 . 2]" 1
69 1 10 PHE HB3 1 11 THR H . . 4.130 3.832 3.574 4.017 . 0 0 "[ . 1 . 2]" 1
70 1 10 PHE HB3 1 19 PHE H . . 4.880 4.378 3.852 4.767 . 0 0 "[ . 1 . 2]" 1
71 1 10 PHE HB3 1 19 PHE HB2 . . 4.300 3.779 3.616 3.957 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE HB3 1 19 PHE HB3 . . 5.500 5.401 5.219 5.529 0.029 11 0 "[ . 1 . 2]" 1
73 1 10 PHE HB3 1 22 LYS HA . . 4.370 4.059 3.542 4.370 0.000 9 0 "[ . 1 . 2]" 1
74 1 10 PHE HB3 1 25 LEU HB2 . . 4.640 3.476 2.981 3.945 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE HB3 1 25 LEU QB . . 3.990 3.130 2.771 3.461 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE HB3 1 25 LEU HB3 . . 4.640 3.577 3.182 4.010 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HB3 1 25 LEU QD . . 3.290 2.031 1.890 2.329 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE QD 1 11 THR H . . 4.670 4.462 4.078 4.677 0.007 11 0 "[ . 1 . 2]" 1
79 1 10 PHE QD 1 19 PHE HB2 . . 4.880 4.010 3.048 4.500 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE QD 1 20 LYS HA . . 4.520 3.934 3.426 4.459 . 0 0 "[ . 1 . 2]" 1
81 1 10 PHE QD 1 22 LYS HA . . 4.410 3.311 2.736 3.756 . 0 0 "[ . 1 . 2]" 1
82 1 10 PHE QD 1 22 LYS QB . . 5.340 3.965 3.572 4.559 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE QD 1 22 LYS QE . . 4.930 4.208 3.007 4.919 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE QD 1 25 LEU QB . . 5.340 4.082 3.312 4.349 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE QD 1 25 LEU QD . . 3.790 3.118 2.300 3.599 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE QE 1 22 LYS HA . . 4.500 3.598 2.913 4.040 . 0 0 "[ . 1 . 2]" 1
87 1 10 PHE QE 1 22 LYS HB2 . . 5.080 3.017 2.376 3.638 . 0 0 "[ . 1 . 2]" 1
88 1 10 PHE QE 1 22 LYS QB . . 4.460 2.918 2.354 3.562 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE QE 1 22 LYS HB3 . . 5.080 4.250 2.420 5.079 . 0 0 "[ . 1 . 2]" 1
90 1 10 PHE QE 1 22 LYS QD . . 4.490 3.354 2.017 4.480 . 0 0 "[ . 1 . 2]" 1
91 1 10 PHE QE 1 22 LYS QE . . 3.950 2.964 2.191 3.862 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE QE 1 22 LYS QG . . 4.480 3.728 2.552 4.485 0.005 13 0 "[ . 1 . 2]" 1
93 1 10 PHE HZ 1 22 LYS HA . . 5.200 4.409 3.983 5.102 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE HZ 1 22 LYS HB2 . . 5.470 2.942 2.430 3.705 . 0 0 "[ . 1 . 2]" 1
95 1 10 PHE HZ 1 22 LYS QB . . 4.770 2.870 2.410 3.647 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE HZ 1 22 LYS HB3 . . 5.470 4.442 2.509 5.435 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE HZ 1 22 LYS QD . . 4.970 3.674 2.653 4.903 . 0 0 "[ . 1 . 2]" 1
98 1 10 PHE HZ 1 22 LYS QE . . 5.340 3.396 1.996 4.624 . 0 0 "[ . 1 . 2]" 1
99 1 11 THR H 1 11 THR HB . . 3.440 2.614 2.519 2.704 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR H 1 11 THR MG . . 3.890 3.826 3.798 3.860 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR H 1 25 LEU QD . . 4.480 3.987 3.563 4.481 0.001 18 0 "[ . 1 . 2]" 1
102 1 11 THR HA 1 11 THR MG . . 3.380 2.365 2.220 2.471 . 0 0 "[ . 1 . 2]" 1
103 1 11 THR HA 1 12 CYS H . . 3.030 2.182 2.142 2.254 . 0 0 "[ . 1 . 2]" 1
104 1 11 THR HA 1 12 CYS HB2 . . 4.460 4.417 4.318 4.474 0.014 14 0 "[ . 1 . 2]" 1
105 1 11 THR HA 1 18 VAL HA . . 4.090 2.125 1.918 2.323 . 0 0 "[ . 1 . 2]" 1
106 1 11 THR HA 1 18 VAL MG1 . . 4.720 3.426 3.123 4.145 . 0 0 "[ . 1 . 2]" 1
107 1 11 THR HA 1 18 VAL QG . . 3.780 2.732 2.468 3.025 . 0 0 "[ . 1 . 2]" 1
108 1 11 THR HA 1 18 VAL MG2 . . 4.720 2.879 2.560 3.259 . 0 0 "[ . 1 . 2]" 1
109 1 11 THR HA 1 19 PHE H . . 3.980 3.463 3.234 3.662 . 0 0 "[ . 1 . 2]" 1
110 1 11 THR HA 1 19 PHE QD . . 4.640 3.758 3.536 4.070 . 0 0 "[ . 1 . 2]" 1
111 1 11 THR HA 1 25 LEU QD . . 4.710 3.900 3.310 4.386 . 0 0 "[ . 1 . 2]" 1
112 1 11 THR HB 1 12 CYS H . . 4.400 4.082 3.775 4.407 0.007 11 0 "[ . 1 . 2]" 1
113 1 11 THR HB 1 18 VAL MG1 . . 5.500 5.111 4.805 5.598 0.098 11 0 "[ . 1 . 2]" 1
114 1 11 THR HB 1 18 VAL QG . . 4.620 4.031 3.795 4.278 . 0 0 "[ . 1 . 2]" 1
115 1 11 THR HB 1 18 VAL MG2 . . 5.500 4.225 3.948 4.554 . 0 0 "[ . 1 . 2]" 1
116 1 11 THR MG 1 12 CYS H . . 3.550 2.523 1.987 3.091 . 0 0 "[ . 1 . 2]" 1
117 1 11 THR MG 1 12 CYS HB2 . . 4.680 4.548 4.346 4.706 0.026 11 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 12 CYS HB3 . . 4.660 4.007 3.844 4.241 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR MG 1 13 GLU H . . 5.280 4.672 4.255 4.936 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR MG 1 13 GLU HA . . 4.300 4.079 3.707 4.212 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR MG 1 16 ASN H . . 4.730 4.600 4.311 4.726 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR MG 1 16 ASN HA . . 3.300 3.077 2.871 3.245 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR MG 1 16 ASN QB . . 4.500 4.286 3.940 4.500 . 18 0 "[ . 1 . 2]" 1
124 1 11 THR MG 1 17 LYS H . . 4.260 3.453 3.153 3.749 . 0 0 "[ . 1 . 2]" 1
125 1 11 THR MG 1 18 VAL HA . . 3.940 3.360 3.151 3.562 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR MG 1 18 VAL HB . . 4.830 4.601 2.479 4.827 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR MG 1 18 VAL MG1 . . 4.330 3.858 3.586 4.034 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR MG 1 18 VAL QG . . 3.560 2.191 1.918 3.182 . 0 0 "[ . 1 . 2]" 1
129 1 11 THR MG 1 18 VAL MG2 . . 4.330 2.221 1.924 3.558 . 0 0 "[ . 1 . 2]" 1
130 1 11 THR MG 1 19 PHE H . . 5.200 5.033 4.823 5.238 0.038 11 0 "[ . 1 . 2]" 1
131 1 12 CYS H 1 12 CYS HB2 . . 3.490 2.515 2.245 2.712 . 0 0 "[ . 1 . 2]" 1
132 1 12 CYS H 1 12 CYS HB3 . . 3.400 2.632 2.522 2.903 . 0 0 "[ . 1 . 2]" 1
133 1 12 CYS H 1 13 GLU H . . 4.750 4.511 4.424 4.615 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS H 1 17 LYS H . . 4.280 3.101 2.709 3.675 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS H 1 18 VAL HA . . 4.210 3.147 2.778 3.478 . 0 0 "[ . 1 . 2]" 1
136 1 12 CYS H 1 18 VAL MG1 . . 5.380 4.920 4.561 5.165 . 0 0 "[ . 1 . 2]" 1
137 1 12 CYS H 1 18 VAL QG . . 4.660 3.725 3.453 4.290 . 0 0 "[ . 1 . 2]" 1
138 1 12 CYS H 1 18 VAL MG2 . . 5.380 3.863 3.526 4.584 . 0 0 "[ . 1 . 2]" 1
139 1 12 CYS H 1 19 PHE QD . . 4.420 3.579 2.909 4.076 . 0 0 "[ . 1 . 2]" 1
140 1 12 CYS H 1 19 PHE QE . . 4.260 3.590 2.855 4.015 . 0 0 "[ . 1 . 2]" 1
141 1 12 CYS H 1 25 LEU QD . . 4.090 3.271 2.849 3.681 . 0 0 "[ . 1 . 2]" 1
142 1 12 CYS HA 1 13 GLU H . . 3.200 2.158 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
143 1 12 CYS HA 1 13 GLU QB . . 4.700 4.343 4.043 4.451 . 0 0 "[ . 1 . 2]" 1
144 1 12 CYS HA 1 14 TYR H . . 4.380 3.752 3.488 3.907 . 0 0 "[ . 1 . 2]" 1
145 1 12 CYS HA 1 25 LEU MD1 . . 4.420 2.594 2.275 3.230 . 0 0 "[ . 1 . 2]" 1
146 1 12 CYS HA 1 25 LEU QD . . 3.210 2.502 2.243 2.913 . 0 0 "[ . 1 . 2]" 1
147 1 12 CYS HA 1 25 LEU MD2 . . 4.420 3.444 2.678 3.975 . 0 0 "[ . 1 . 2]" 1
148 1 12 CYS HA 1 29 LEU QD . . 3.930 3.487 2.704 3.926 . 0 0 "[ . 1 . 2]" 1
149 1 12 CYS HB2 1 13 GLU H . . 4.710 4.302 4.050 4.476 . 0 0 "[ . 1 . 2]" 1
150 1 12 CYS HB2 1 14 TYR H . . 4.670 4.386 4.254 4.593 . 0 0 "[ . 1 . 2]" 1
151 1 12 CYS HB2 1 15 CYS H . . 4.740 4.388 4.282 4.473 . 0 0 "[ . 1 . 2]" 1
152 1 12 CYS HB2 1 17 LYS H . . 3.830 3.486 3.297 3.612 . 0 0 "[ . 1 . 2]" 1
153 1 12 CYS HB2 1 17 LYS HB2 . . 4.600 2.897 2.693 3.141 . 0 0 "[ . 1 . 2]" 1
154 1 12 CYS HB2 1 17 LYS HB3 . . 4.810 3.711 3.292 4.005 . 0 0 "[ . 1 . 2]" 1
155 1 12 CYS HB2 1 17 LYS QD . . 5.340 4.459 4.161 4.745 . 0 0 "[ . 1 . 2]" 1
156 1 12 CYS HB2 1 17 LYS HG3 . . 5.500 5.208 5.038 5.511 0.011 11 0 "[ . 1 . 2]" 1
157 1 12 CYS HB2 1 19 PHE QD . . 4.340 3.533 2.918 4.097 . 0 0 "[ . 1 . 2]" 1
158 1 12 CYS HB2 1 19 PHE QE . . 3.640 2.287 2.000 2.914 . 0 0 "[ . 1 . 2]" 1
159 1 12 CYS HB2 1 19 PHE HZ . . 4.890 4.325 3.515 4.894 0.004 11 0 "[ . 1 . 2]" 1
160 1 12 CYS HB2 1 25 LEU MD1 . . 4.370 2.303 2.034 2.506 . 0 0 "[ . 1 . 2]" 1
161 1 12 CYS HB2 1 25 LEU QD . . 3.320 2.292 2.027 2.492 . 0 0 "[ . 1 . 2]" 1
162 1 12 CYS HB2 1 25 LEU MD2 . . 4.370 4.160 3.298 4.377 0.007 11 0 "[ . 1 . 2]" 1
163 1 12 CYS HB2 1 28 HIS HD2 . . 3.580 3.366 3.008 3.563 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS HB2 1 29 LEU QD . . 4.480 3.910 3.071 4.463 . 0 0 "[ . 1 . 2]" 1
165 1 12 CYS HB3 1 13 GLU H . . 4.780 4.109 3.747 4.291 . 0 0 "[ . 1 . 2]" 1
166 1 12 CYS HB3 1 14 TYR H . . 4.680 3.284 3.074 3.985 . 0 0 "[ . 1 . 2]" 1
167 1 12 CYS HB3 1 15 CYS H . . 3.920 2.945 2.759 3.071 . 0 0 "[ . 1 . 2]" 1
168 1 12 CYS HB3 1 16 ASN H . . 4.170 3.744 3.376 3.987 . 0 0 "[ . 1 . 2]" 1
169 1 12 CYS HB3 1 17 LYS H . . 3.540 1.966 1.900 2.186 . 0 0 "[ . 1 . 2]" 1
170 1 12 CYS HB3 1 17 LYS HB2 . . 4.260 2.269 2.060 2.667 . 0 0 "[ . 1 . 2]" 1
171 1 12 CYS HB3 1 17 LYS HB3 . . 4.650 3.681 3.487 4.063 . 0 0 "[ . 1 . 2]" 1
172 1 12 CYS HB3 1 19 PHE QE . . 3.980 3.307 2.991 3.935 . 0 0 "[ . 1 . 2]" 1
173 1 12 CYS HB3 1 25 LEU QD . . 3.870 3.625 3.348 3.865 . 0 0 "[ . 1 . 2]" 1
174 1 12 CYS HB3 1 28 HIS HD2 . . 4.730 4.550 4.199 4.722 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLU H 1 13 GLU QB . . 3.540 2.665 2.112 2.822 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU H 1 13 GLU HG2 . . 4.310 2.400 1.904 4.432 0.122 14 0 "[ . 1 . 2]" 1
177 1 13 GLU H 1 13 GLU QG . . 3.720 2.264 1.890 3.733 0.013 14 0 "[ . 1 . 2]" 1
178 1 13 GLU H 1 13 GLU HG3 . . 4.310 3.273 2.076 4.019 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLU H 1 14 TYR H . . 3.870 2.828 2.122 3.019 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU H 1 25 LEU QD . . 4.740 3.933 3.546 4.441 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU H 1 29 LEU QD . . 4.560 3.698 3.213 4.510 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU HA 1 13 GLU QG . . 3.690 3.357 3.208 3.444 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLU QB 1 14 TYR H . . 4.260 3.969 3.175 4.044 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLU QB 1 14 TYR QD . . 4.700 4.126 3.711 4.663 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU QG 1 14 TYR QD . . 4.290 2.617 2.141 3.241 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU QG 1 14 TYR QE . . 3.680 2.467 1.983 3.670 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLU HG2 1 14 TYR QE . . 4.320 2.815 2.027 4.316 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLU HG3 1 14 TYR QE . . 4.320 2.937 2.192 4.001 . 0 0 "[ . 1 . 2]" 1
189 1 14 TYR H 1 14 TYR HB2 . . 3.790 2.635 2.478 2.712 . 0 0 "[ . 1 . 2]" 1
190 1 14 TYR H 1 14 TYR QB . . 3.220 2.587 2.438 2.657 . 0 0 "[ . 1 . 2]" 1
191 1 14 TYR H 1 14 TYR HB3 . . 3.790 3.761 3.600 3.812 0.022 1 0 "[ . 1 . 2]" 1
192 1 14 TYR H 1 14 TYR QD . . 3.540 2.794 2.255 3.467 . 0 0 "[ . 1 . 2]" 1
193 1 14 TYR H 1 14 TYR QE . . 4.910 4.807 4.382 4.913 0.003 2 0 "[ . 1 . 2]" 1
194 1 14 TYR H 1 15 CYS H . . 3.290 2.045 1.833 2.758 . 0 0 "[ . 1 . 2]" 1
195 1 14 TYR H 1 16 ASN H . . 4.440 2.978 2.585 3.738 . 0 0 "[ . 1 . 2]" 1
196 1 14 TYR H 1 25 LEU QD . . 5.440 4.991 4.707 5.357 . 0 0 "[ . 1 . 2]" 1
197 1 14 TYR HA 1 14 TYR QD . . 3.560 2.887 2.049 3.211 . 0 0 "[ . 1 . 2]" 1
198 1 14 TYR HA 1 14 TYR QE . . 4.830 4.637 4.380 4.794 . 0 0 "[ . 1 . 2]" 1
199 1 14 TYR QB 1 15 CYS H . . 3.260 2.507 2.137 2.702 . 0 0 "[ . 1 . 2]" 1
200 1 14 TYR QB 1 32 HIS HD2 . . 4.100 2.985 2.495 3.576 . 0 0 "[ . 1 . 2]" 1
201 1 14 TYR QB 1 32 HIS HE1 . . 4.320 2.917 2.538 3.554 . 0 0 "[ . 1 . 2]" 1
202 1 14 TYR HB2 1 15 CYS H . . 3.840 2.560 2.160 2.769 . 0 0 "[ . 1 . 2]" 1
203 1 14 TYR HB2 1 32 HIS HD2 . . 4.770 3.086 2.593 3.699 . 0 0 "[ . 1 . 2]" 1
204 1 14 TYR HB2 1 32 HIS HE1 . . 4.920 3.488 2.950 4.060 . 0 0 "[ . 1 . 2]" 1
205 1 14 TYR HB3 1 15 CYS H . . 3.840 3.600 3.382 3.823 . 0 0 "[ . 1 . 2]" 1
206 1 14 TYR HB3 1 32 HIS HD2 . . 4.770 3.978 3.247 4.740 . 0 0 "[ . 1 . 2]" 1
207 1 14 TYR HB3 1 32 HIS HE1 . . 4.920 3.142 2.691 3.926 . 0 0 "[ . 1 . 2]" 1
208 1 14 TYR QD 1 15 CYS H . . 4.390 4.023 3.716 4.369 . 0 0 "[ . 1 . 2]" 1
209 1 14 TYR QD 1 29 LEU QD . . 3.320 2.554 1.959 3.051 . 0 0 "[ . 1 . 2]" 1
210 1 14 TYR QD 1 32 HIS QB . . 4.460 2.541 1.939 3.558 . 0 0 "[ . 1 . 2]" 1
211 1 14 TYR QD 1 32 HIS HD2 . . 4.020 3.461 2.276 4.020 0.000 1 0 "[ . 1 . 2]" 1
212 1 14 TYR QE 1 29 LEU MD1 . . 4.420 3.616 3.123 4.100 . 0 0 "[ . 1 . 2]" 1
213 1 14 TYR QE 1 29 LEU QD . . 3.220 2.282 1.813 2.831 . 0 0 "[ . 1 . 2]" 1
214 1 14 TYR QE 1 29 LEU MD2 . . 4.420 2.311 1.816 2.886 . 0 0 "[ . 1 . 2]" 1
215 1 14 TYR QE 1 32 HIS QB . . 4.770 3.182 2.560 3.883 . 0 0 "[ . 1 . 2]" 1
216 1 14 TYR QE 1 33 THR MG . . 4.380 4.037 3.344 4.384 0.004 3 0 "[ . 1 . 2]" 1
217 1 15 CYS H 1 15 CYS HB2 . . 4.110 3.782 3.679 3.834 . 0 0 "[ . 1 . 2]" 1
218 1 15 CYS H 1 15 CYS QB . . 3.430 3.027 2.878 3.091 . 0 0 "[ . 1 . 2]" 1
219 1 15 CYS H 1 15 CYS HB3 . . 4.110 3.185 2.998 3.277 . 0 0 "[ . 1 . 2]" 1
220 1 15 CYS H 1 16 ASN HA . . 4.510 4.260 4.106 4.517 0.007 14 0 "[ . 1 . 2]" 1
221 1 15 CYS H 1 17 LYS H . . 4.530 3.327 3.213 3.545 . 0 0 "[ . 1 . 2]" 1
222 1 15 CYS HA 1 32 HIS HE1 . . 4.630 4.143 3.823 4.516 . 0 0 "[ . 1 . 2]" 1
223 1 15 CYS QB 1 16 ASN H . . 4.060 4.004 3.898 4.040 . 0 0 "[ . 1 . 2]" 1
224 1 15 CYS QB 1 17 LYS H . . 4.710 4.359 4.014 4.591 . 0 0 "[ . 1 . 2]" 1
225 1 15 CYS QB 1 17 LYS HB2 . . 4.790 4.147 3.945 4.281 . 0 0 "[ . 1 . 2]" 1
226 1 15 CYS QB 1 17 LYS HG3 . . 4.850 2.945 2.593 3.157 . 0 0 "[ . 1 . 2]" 1
227 1 15 CYS QB 1 32 HIS HE1 . . 3.300 2.266 1.996 2.719 . 0 0 "[ . 1 . 2]" 1
228 1 15 CYS HB2 1 16 ASN H . . 4.620 4.427 4.281 4.465 . 0 0 "[ . 1 . 2]" 1
229 1 15 CYS HB3 1 16 ASN H . . 4.620 4.570 4.463 4.612 . 0 0 "[ . 1 . 2]" 1
230 1 16 ASN H 1 16 ASN QB . . 3.760 3.019 2.757 3.346 . 0 0 "[ . 1 . 2]" 1
231 1 16 ASN H 1 17 LYS H . . 3.670 2.951 2.629 3.076 . 0 0 "[ . 1 . 2]" 1
232 1 16 ASN QB 1 17 LYS H . . 4.420 3.931 3.819 4.003 . 0 0 "[ . 1 . 2]" 1
233 1 17 LYS H 1 17 LYS HB2 . . 3.300 2.293 2.231 2.360 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS H 1 17 LYS HB3 . . 3.630 3.519 3.493 3.545 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS H 1 17 LYS HG2 . . 4.700 4.184 4.077 4.281 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS H 1 17 LYS HG3 . . 3.500 3.386 3.199 3.498 . 0 0 "[ . 1 . 2]" 1
237 1 17 LYS H 1 18 VAL H . . 4.590 4.509 4.458 4.558 . 0 0 "[ . 1 . 2]" 1
238 1 17 LYS H 1 19 PHE QE . . 4.560 4.275 4.041 4.585 0.025 11 0 "[ . 1 . 2]" 1
239 1 17 LYS HA 1 17 LYS HD2 . . 4.700 4.631 4.475 4.679 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HA 1 17 LYS HD3 . . 4.700 4.286 4.140 4.512 . 0 0 "[ . 1 . 2]" 1
241 1 17 LYS HA 1 17 LYS HG2 . . 3.720 2.295 2.242 2.410 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS HA 1 18 VAL H . . 2.810 2.506 2.384 2.619 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS HA 1 18 VAL HB . . 4.650 4.574 4.443 4.655 0.005 18 0 "[ . 1 . 2]" 1
244 1 17 LYS HA 1 18 VAL QG . . 3.700 3.304 3.197 3.499 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS HA 1 19 PHE QE . . 5.370 4.651 4.427 5.002 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS HB2 1 18 VAL H . . 4.330 3.717 3.526 3.883 . 0 0 "[ . 1 . 2]" 1
247 1 17 LYS HB2 1 19 PHE QE . . 4.010 2.581 2.324 2.801 . 0 0 "[ . 1 . 2]" 1
248 1 17 LYS HB2 1 19 PHE HZ . . 4.980 3.792 3.164 4.125 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS HB3 1 17 LYS QD . . 3.650 2.315 2.148 2.652 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS HB3 1 17 LYS QE . . 4.520 3.455 2.126 4.132 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS HB3 1 18 VAL H . . 3.720 2.268 2.020 2.526 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS HB3 1 18 VAL QG . . 4.580 4.259 4.193 4.365 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HB3 1 19 PHE QE . . 4.070 2.290 2.007 2.708 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HB3 1 19 PHE HZ . . 4.550 3.321 2.803 3.693 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS QD 1 18 VAL H . . 5.200 4.009 3.590 4.517 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS QD 1 19 PHE QE . . 4.320 3.072 2.891 3.528 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS QD 1 28 HIS HE1 . . 3.540 2.646 2.085 3.210 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HD2 1 19 PHE QE . . 5.130 3.985 3.134 4.897 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HD2 1 19 PHE HZ . . 4.220 3.331 2.372 4.135 . 0 0 "[ . 1 . 2]" 1
260 1 17 LYS HD2 1 28 HIS HE1 . . 4.300 2.872 2.112 4.070 . 0 0 "[ . 1 . 2]" 1
261 1 17 LYS HD3 1 19 PHE QE . . 5.130 3.260 2.973 3.751 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS HD3 1 19 PHE HZ . . 4.220 2.591 2.311 3.118 . 0 0 "[ . 1 . 2]" 1
263 1 17 LYS HD3 1 28 HIS HE1 . . 4.300 3.657 2.215 4.295 . 0 0 "[ . 1 . 2]" 1
264 1 17 LYS QE 1 17 LYS HG2 . . 3.610 2.435 2.109 3.109 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS QE 1 17 LYS HG3 . . 3.440 2.786 2.204 3.422 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS QE 1 19 PHE HZ . . 4.170 3.683 2.165 4.174 0.004 1 0 "[ . 1 . 2]" 1
267 1 17 LYS QE 1 28 HIS HE1 . . 4.900 3.933 2.604 4.899 . 0 0 "[ . 1 . 2]" 1
268 1 17 LYS HG2 1 18 VAL H . . 4.010 3.333 3.290 3.490 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS HG2 1 19 PHE HZ . . 5.330 4.901 4.495 5.301 . 0 0 "[ . 1 . 2]" 1
270 1 17 LYS HG3 1 18 VAL H . . 4.670 4.506 4.443 4.601 . 0 0 "[ . 1 . 2]" 1
271 1 18 VAL H 1 18 VAL HB . . 3.290 2.834 2.694 3.360 0.070 11 0 "[ . 1 . 2]" 1
272 1 18 VAL H 1 18 VAL MG1 . . 4.140 3.815 2.041 3.936 . 0 0 "[ . 1 . 2]" 1
273 1 18 VAL H 1 18 VAL QG . . 3.110 2.830 2.034 2.991 . 0 0 "[ . 1 . 2]" 1
274 1 18 VAL H 1 18 VAL MG2 . . 4.140 3.003 2.844 3.904 . 0 0 "[ . 1 . 2]" 1
275 1 18 VAL H 1 19 PHE H . . 4.690 4.337 4.243 4.416 . 0 0 "[ . 1 . 2]" 1
276 1 18 VAL HA 1 18 VAL MG1 . . 3.400 2.432 2.308 3.184 . 0 0 "[ . 1 . 2]" 1
277 1 18 VAL HA 1 18 VAL MG2 . . 3.400 2.373 2.252 2.437 . 0 0 "[ . 1 . 2]" 1
278 1 18 VAL HA 1 19 PHE H . . 3.150 2.206 2.151 2.274 . 0 0 "[ . 1 . 2]" 1
279 1 18 VAL HA 1 19 PHE QD . . 3.770 2.925 2.598 3.292 . 0 0 "[ . 1 . 2]" 1
280 1 18 VAL HA 1 19 PHE QE . . 5.270 4.233 3.624 4.564 . 0 0 "[ . 1 . 2]" 1
281 1 18 VAL HB 1 19 PHE H . . 4.180 3.997 3.836 4.142 . 0 0 "[ . 1 . 2]" 1
282 1 18 VAL QG 1 19 PHE H . . 3.300 2.224 1.966 2.514 . 0 0 "[ . 1 . 2]" 1
283 1 18 VAL QG 1 19 PHE QD . . 4.400 3.901 3.623 4.183 . 0 0 "[ . 1 . 2]" 1
284 1 18 VAL MG1 1 19 PHE H . . 4.090 2.333 1.973 3.946 . 0 0 "[ . 1 . 2]" 1
285 1 18 VAL MG1 1 19 PHE QD . . 5.420 4.189 3.817 4.556 . 0 0 "[ . 1 . 2]" 1
286 1 18 VAL MG2 1 19 PHE H . . 4.090 3.846 2.028 4.087 . 0 0 "[ . 1 . 2]" 1
287 1 18 VAL MG2 1 19 PHE QD . . 5.420 4.707 3.804 5.040 . 0 0 "[ . 1 . 2]" 1
288 1 19 PHE H 1 19 PHE HB2 . . 3.720 2.773 2.636 2.933 . 0 0 "[ . 1 . 2]" 1
289 1 19 PHE H 1 19 PHE HB3 . . 4.000 3.849 3.774 3.927 . 0 0 "[ . 1 . 2]" 1
290 1 19 PHE H 1 19 PHE QD . . 3.450 2.564 2.115 2.810 . 0 0 "[ . 1 . 2]" 1
291 1 19 PHE H 1 19 PHE QE . . 4.930 4.721 4.302 4.925 . 0 0 "[ . 1 . 2]" 1
292 1 19 PHE H 1 25 LEU QD . . 5.440 4.045 3.657 4.455 . 0 0 "[ . 1 . 2]" 1
293 1 19 PHE HA 1 19 PHE QD . . 4.150 3.159 3.079 3.285 . 0 0 "[ . 1 . 2]" 1
294 1 19 PHE HA 1 19 PHE QE . . 5.500 4.758 4.696 4.912 . 0 0 "[ . 1 . 2]" 1
295 1 19 PHE HA 1 21 PHE H . . 4.470 4.003 3.438 4.460 . 0 0 "[ . 1 . 2]" 1
296 1 19 PHE HB2 1 21 PHE H . . 4.460 4.093 2.937 4.457 . 0 0 "[ . 1 . 2]" 1
297 1 19 PHE HB2 1 24 SER HB2 . . 4.920 4.295 3.677 4.923 0.003 12 0 "[ . 1 . 2]" 1
298 1 19 PHE HB2 1 24 SER QB . . 4.170 3.743 3.060 4.169 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE HB2 1 24 SER HB3 . . 4.920 4.365 3.104 4.928 0.008 15 0 "[ . 1 . 2]" 1
300 1 19 PHE HB2 1 25 LEU H . . 4.540 3.580 3.020 4.028 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE HB2 1 25 LEU HA . . 4.980 3.974 3.669 4.397 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE HB2 1 25 LEU HB2 . . 4.650 2.325 2.022 2.746 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE HB2 1 25 LEU QB . . 4.000 2.297 2.009 2.692 . 0 0 "[ . 1 . 2]" 1
304 1 19 PHE HB2 1 25 LEU HB3 . . 4.650 3.613 3.373 3.877 . 0 0 "[ . 1 . 2]" 1
305 1 19 PHE HB2 1 25 LEU MD1 . . 4.850 3.535 3.048 4.146 . 0 0 "[ . 1 . 2]" 1
306 1 19 PHE HB2 1 25 LEU QD . . 4.190 3.257 2.925 3.743 . 0 0 "[ . 1 . 2]" 1
307 1 19 PHE HB2 1 25 LEU MD2 . . 4.850 3.863 3.134 4.263 . 0 0 "[ . 1 . 2]" 1
308 1 19 PHE HB3 1 21 PHE H . . 3.570 3.101 2.643 3.568 . 0 0 "[ . 1 . 2]" 1
309 1 19 PHE HB3 1 24 SER HB2 . . 4.210 2.974 2.426 3.523 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE HB3 1 24 SER HB3 . . 4.210 2.974 2.014 3.672 . 0 0 "[ . 1 . 2]" 1
311 1 19 PHE HB3 1 25 LEU H . . 4.440 3.470 3.094 3.759 . 0 0 "[ . 1 . 2]" 1
312 1 19 PHE HB3 1 25 LEU HA . . 4.570 4.230 3.840 4.580 0.010 15 0 "[ . 1 . 2]" 1
313 1 19 PHE HB3 1 25 LEU HB2 . . 4.980 3.426 3.053 3.951 . 0 0 "[ . 1 . 2]" 1
314 1 19 PHE HB3 1 25 LEU QB . . 4.100 3.324 2.990 3.800 . 0 0 "[ . 1 . 2]" 1
315 1 19 PHE HB3 1 25 LEU HB3 . . 4.980 4.508 4.229 4.981 0.001 1 0 "[ . 1 . 2]" 1
316 1 19 PHE HB3 1 25 LEU QD . . 5.420 4.292 3.968 4.748 . 0 0 "[ . 1 . 2]" 1
317 1 19 PHE QD 1 24 SER HA . . 4.790 4.513 4.269 4.790 . 0 0 "[ . 1 . 2]" 1
318 1 19 PHE QD 1 24 SER HB2 . . 3.720 3.247 2.008 3.718 . 0 0 "[ . 1 . 2]" 1
319 1 19 PHE QD 1 24 SER QB . . 3.260 2.229 1.996 2.374 . 0 0 "[ . 1 . 2]" 1
320 1 19 PHE QD 1 24 SER HB3 . . 3.720 2.500 2.017 3.724 0.004 15 0 "[ . 1 . 2]" 1
321 1 19 PHE QD 1 25 LEU H . . 4.400 3.969 3.644 4.235 . 0 0 "[ . 1 . 2]" 1
322 1 19 PHE QD 1 25 LEU HA . . 4.080 3.498 3.294 3.650 . 0 0 "[ . 1 . 2]" 1
323 1 19 PHE QD 1 25 LEU HB2 . . 4.630 2.983 2.841 3.185 . 0 0 "[ . 1 . 2]" 1
324 1 19 PHE QD 1 25 LEU QB . . 3.870 2.941 2.807 3.132 . 0 0 "[ . 1 . 2]" 1
325 1 19 PHE QD 1 25 LEU HB3 . . 4.630 4.481 4.274 4.628 . 0 0 "[ . 1 . 2]" 1
326 1 19 PHE QD 1 25 LEU MD1 . . 4.710 2.442 2.029 2.921 . 0 0 "[ . 1 . 2]" 1
327 1 19 PHE QD 1 25 LEU QD . . 3.330 2.412 2.020 2.854 . 0 0 "[ . 1 . 2]" 1
328 1 19 PHE QD 1 25 LEU MD2 . . 4.710 3.908 3.201 4.259 . 0 0 "[ . 1 . 2]" 1
329 1 19 PHE QE 1 24 SER QB . . 4.570 3.924 3.522 4.249 . 0 0 "[ . 1 . 2]" 1
330 1 19 PHE QE 1 25 LEU HA . . 4.490 3.650 3.493 3.799 . 0 0 "[ . 1 . 2]" 1
331 1 19 PHE QE 1 25 LEU QD . . 3.650 2.665 2.249 3.197 . 0 0 "[ . 1 . 2]" 1
332 1 19 PHE QE 1 28 HIS H . . 5.390 5.155 4.901 5.392 0.002 6 0 "[ . 1 . 2]" 1
333 1 19 PHE QE 1 28 HIS HB2 . . 4.350 2.941 2.645 3.455 . 0 0 "[ . 1 . 2]" 1
334 1 19 PHE QE 1 28 HIS HB3 . . 4.600 3.645 3.422 3.830 . 0 0 "[ . 1 . 2]" 1
335 1 19 PHE QE 1 28 HIS HD2 . . 4.110 3.498 2.941 4.039 . 0 0 "[ . 1 . 2]" 1
336 1 19 PHE HZ 1 25 LEU QD . . 4.650 3.781 3.064 4.386 . 0 0 "[ . 1 . 2]" 1
337 1 19 PHE HZ 1 28 HIS HB2 . . 4.360 3.373 3.076 3.723 . 0 0 "[ . 1 . 2]" 1
338 1 19 PHE HZ 1 28 HIS HB3 . . 4.550 3.726 3.533 4.048 . 0 0 "[ . 1 . 2]" 1
339 1 19 PHE HZ 1 28 HIS HD2 . . 4.930 3.614 3.070 4.090 . 0 0 "[ . 1 . 2]" 1
340 1 19 PHE HZ 1 28 HIS HE1 . . 4.770 3.634 3.096 4.224 . 0 0 "[ . 1 . 2]" 1
341 1 20 LYS H 1 21 PHE H . . 4.620 2.593 2.106 2.945 . 0 0 "[ . 1 . 2]" 1
342 1 20 LYS HA 1 20 LYS QD . . 4.140 3.994 3.023 4.193 0.053 6 0 "[ . 1 . 2]" 1
343 1 20 LYS HA 1 20 LYS HG2 . . 4.030 2.753 2.160 3.599 . 0 0 "[ . 1 . 2]" 1
344 1 20 LYS HA 1 20 LYS QG . . 3.500 2.434 2.124 3.344 . 0 0 "[ . 1 . 2]" 1
345 1 20 LYS HA 1 20 LYS HG3 . . 4.030 2.854 2.331 3.970 . 0 0 "[ . 1 . 2]" 1
346 1 20 LYS QB 1 21 PHE QD . . 3.990 2.781 2.152 3.896 . 0 0 "[ . 1 . 2]" 1
347 1 20 LYS HB2 1 21 PHE H . . 4.220 3.709 2.560 4.132 . 0 0 "[ . 1 . 2]" 1
348 1 20 LYS HB2 1 21 PHE QD . . 4.540 3.981 2.845 4.412 . 0 0 "[ . 1 . 2]" 1
349 1 20 LYS HB2 1 21 PHE QE . . 4.930 4.252 2.545 4.914 . 0 0 "[ . 1 . 2]" 1
350 1 20 LYS HB3 1 21 PHE H . . 4.220 2.951 2.284 4.245 0.025 17 0 "[ . 1 . 2]" 1
351 1 20 LYS HB3 1 21 PHE QD . . 4.540 2.985 2.171 4.552 0.012 6 0 "[ . 1 . 2]" 1
352 1 20 LYS HB3 1 21 PHE QE . . 4.930 3.428 2.602 4.967 0.037 17 0 "[ . 1 . 2]" 1
353 1 20 LYS QD 1 21 PHE QE . . 4.470 3.106 2.183 4.205 . 0 0 "[ . 1 . 2]" 1
354 1 20 LYS QD 1 21 PHE HZ . . 4.900 4.008 3.079 4.887 . 0 0 "[ . 1 . 2]" 1
355 1 20 LYS QE 1 20 LYS QG . . 3.410 2.290 2.052 2.586 . 0 0 "[ . 1 . 2]" 1
356 1 20 LYS QE 1 21 PHE QD . . 5.500 4.372 2.788 5.313 . 0 0 "[ . 1 . 2]" 1
357 1 20 LYS QE 1 21 PHE QE . . 4.920 3.473 1.981 4.587 . 0 0 "[ . 1 . 2]" 1
358 1 20 LYS QE 1 21 PHE HZ . . 5.500 4.042 2.437 5.389 . 0 0 "[ . 1 . 2]" 1
359 1 20 LYS QG 1 21 PHE H . . 4.580 3.935 2.339 4.620 0.040 14 0 "[ . 1 . 2]" 1
360 1 21 PHE H 1 21 PHE HB2 . . 3.950 2.556 2.402 2.994 . 0 0 "[ . 1 . 2]" 1
361 1 21 PHE H 1 21 PHE QB . . 3.360 2.511 2.370 2.909 . 0 0 "[ . 1 . 2]" 1
362 1 21 PHE H 1 21 PHE HB3 . . 3.950 3.695 3.630 3.951 0.001 8 0 "[ . 1 . 2]" 1
363 1 21 PHE H 1 21 PHE QD . . 3.870 2.411 1.916 2.929 . 0 0 "[ . 1 . 2]" 1
364 1 21 PHE H 1 24 SER H . . 4.740 4.682 4.506 4.744 0.004 1 0 "[ . 1 . 2]" 1
365 1 21 PHE H 1 24 SER QB . . 4.020 3.215 2.879 3.885 . 0 0 "[ . 1 . 2]" 1
366 1 21 PHE HA 1 21 PHE QD . . 3.750 3.021 2.831 3.210 . 0 0 "[ . 1 . 2]" 1
367 1 21 PHE QB 1 23 HIS HD2 . . 4.780 3.191 2.134 4.624 . 0 0 "[ . 1 . 2]" 1
368 1 21 PHE QB 1 23 HIS HE1 . . 3.890 2.938 2.166 3.795 . 0 0 "[ . 1 . 2]" 1
369 1 21 PHE QB 1 24 SER H . . 3.370 2.574 2.387 2.763 . 0 0 "[ . 1 . 2]" 1
370 1 21 PHE QB 1 24 SER QB . . 3.880 2.273 1.955 3.177 . 0 0 "[ . 1 . 2]" 1
371 1 21 PHE QB 1 25 LEU H . . 4.790 4.225 3.987 4.568 . 0 0 "[ . 1 . 2]" 1
372 1 21 PHE HB2 1 23 HIS HD2 . . 5.500 4.094 3.267 5.322 . 0 0 "[ . 1 . 2]" 1
373 1 21 PHE HB2 1 23 HIS HE1 . . 4.440 3.855 2.883 4.425 . 0 0 "[ . 1 . 2]" 1
374 1 21 PHE HB2 1 24 SER H . . 3.900 2.799 2.463 2.954 . 0 0 "[ . 1 . 2]" 1
375 1 21 PHE HB2 1 25 LEU H . . 5.500 4.477 4.113 4.884 . 0 0 "[ . 1 . 2]" 1
376 1 21 PHE HB3 1 23 HIS HD2 . . 5.500 3.505 2.159 5.079 . 0 0 "[ . 1 . 2]" 1
377 1 21 PHE HB3 1 23 HIS HE1 . . 4.440 3.182 2.238 4.384 . 0 0 "[ . 1 . 2]" 1
378 1 21 PHE HB3 1 24 SER H . . 3.900 3.071 2.640 3.493 . 0 0 "[ . 1 . 2]" 1
379 1 21 PHE HB3 1 25 LEU H . . 5.500 5.208 4.745 5.501 0.001 1 0 "[ . 1 . 2]" 1
380 1 21 PHE QD 1 24 SER H . . 4.770 4.646 4.463 4.772 0.002 1 0 "[ . 1 . 2]" 1
381 1 21 PHE QD 1 24 SER QB . . 4.800 3.589 3.005 4.145 . 0 0 "[ . 1 . 2]" 1
382 1 22 LYS HA 1 22 LYS QG . . 3.260 2.624 2.209 3.370 0.110 15 0 "[ . 1 . 2]" 1
383 1 22 LYS HA 1 25 LEU H . . 4.020 3.627 3.265 3.934 . 0 0 "[ . 1 . 2]" 1
384 1 22 LYS HA 1 25 LEU QB . . 3.600 3.164 2.840 3.565 . 0 0 "[ . 1 . 2]" 1
385 1 22 LYS HA 1 26 GLN H . . 4.410 4.222 3.981 4.408 . 0 0 "[ . 1 . 2]" 1
386 1 22 LYS QE 1 22 LYS QG . . 3.250 2.196 2.058 2.494 . 0 0 "[ . 1 . 2]" 1
387 1 22 LYS QG 1 26 GLN H . . 4.450 3.977 3.679 4.458 0.008 15 0 "[ . 1 . 2]" 1
388 1 22 LYS QG 1 26 GLN HB2 . . 5.340 4.077 3.549 4.584 . 0 0 "[ . 1 . 2]" 1
389 1 22 LYS QG 1 26 GLN HB3 . . 5.340 5.082 4.427 5.416 0.076 9 0 "[ . 1 . 2]" 1
390 1 22 LYS QG 1 26 GLN QG . . 3.670 2.677 2.087 3.475 . 0 0 "[ . 1 . 2]" 1
391 1 22 LYS HG2 1 26 GLN HG2 . . 4.950 3.803 2.385 4.939 . 0 0 "[ . 1 . 2]" 1
392 1 22 LYS HG2 1 26 GLN HG3 . . 4.950 3.543 2.220 4.821 . 0 0 "[ . 1 . 2]" 1
393 1 22 LYS HG3 1 26 GLN HG2 . . 4.950 3.666 2.750 4.950 0.000 9 0 "[ . 1 . 2]" 1
394 1 22 LYS HG3 1 26 GLN HG3 . . 4.950 3.792 2.947 4.840 . 0 0 "[ . 1 . 2]" 1
395 1 23 HIS HA 1 26 GLN H . . 3.990 3.505 3.189 3.937 . 0 0 "[ . 1 . 2]" 1
396 1 23 HIS HA 1 26 GLN HB2 . . 3.590 2.360 2.004 2.545 . 0 0 "[ . 1 . 2]" 1
397 1 23 HIS HA 1 26 GLN HB3 . . 4.020 3.879 3.440 4.013 . 0 0 "[ . 1 . 2]" 1
398 1 23 HIS HA 1 26 GLN HG2 . . 4.740 3.998 3.037 4.725 . 0 0 "[ . 1 . 2]" 1
399 1 23 HIS HA 1 26 GLN QG . . 4.140 3.165 2.568 3.742 . 0 0 "[ . 1 . 2]" 1
400 1 23 HIS HA 1 26 GLN HG3 . . 4.740 3.361 2.770 4.627 . 0 0 "[ . 1 . 2]" 1
401 1 23 HIS HA 1 27 ALA H . . 4.610 3.876 3.540 4.157 . 0 0 "[ . 1 . 2]" 1
402 1 23 HIS QB 1 24 SER H . . 4.390 3.346 3.126 3.503 . 0 0 "[ . 1 . 2]" 1
403 1 23 HIS QB 1 26 GLN HB3 . . 5.340 5.147 4.855 5.332 . 0 0 "[ . 1 . 2]" 1
404 1 23 HIS HB2 1 26 GLN HB2 . . 4.920 4.338 4.090 4.610 . 0 0 "[ . 1 . 2]" 1
405 1 23 HIS HB3 1 26 GLN HB2 . . 4.920 4.674 4.378 4.885 . 0 0 "[ . 1 . 2]" 1
406 1 23 HIS HD2 1 24 SER H . . 3.920 3.209 2.259 3.920 0.000 1 0 "[ . 1 . 2]" 1
407 1 24 SER H 1 24 SER HB2 . . 4.000 2.482 2.182 3.592 . 0 0 "[ . 1 . 2]" 1
408 1 24 SER H 1 24 SER QB . . 3.470 2.310 2.133 2.769 . 0 0 "[ . 1 . 2]" 1
409 1 24 SER H 1 24 SER HB3 . . 4.000 3.308 2.568 3.589 . 0 0 "[ . 1 . 2]" 1
410 1 24 SER H 1 25 LEU H . . 3.450 2.865 2.616 3.051 . 0 0 "[ . 1 . 2]" 1
411 1 24 SER H 1 26 GLN H . . 4.600 4.337 4.128 4.571 . 0 0 "[ . 1 . 2]" 1
412 1 24 SER HA 1 27 ALA H . . 4.210 4.054 3.756 4.205 . 0 0 "[ . 1 . 2]" 1
413 1 24 SER HA 1 27 ALA MB . . 3.440 3.338 3.086 3.442 0.002 1 0 "[ . 1 . 2]" 1
414 1 24 SER QB 1 25 LEU H . . 3.460 2.569 2.108 3.119 . 0 0 "[ . 1 . 2]" 1
415 1 24 SER HB2 1 25 LEU H . . 4.050 2.899 2.403 3.437 . 0 0 "[ . 1 . 2]" 1
416 1 24 SER HB3 1 25 LEU H . . 4.050 3.191 2.128 3.945 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU H 1 25 LEU HB2 . . 3.440 2.727 2.629 2.885 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU H 1 25 LEU QB . . 3.010 2.197 2.147 2.221 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU H 1 25 LEU HB3 . . 3.440 2.321 2.215 2.385 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU H 1 25 LEU MD1 . . 4.520 4.243 4.153 4.338 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU H 1 25 LEU QD . . 3.880 3.710 3.685 3.740 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU H 1 25 LEU MD2 . . 4.520 4.099 4.014 4.189 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU H 1 25 LEU HG . . 4.450 4.344 4.220 4.404 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU H 1 26 GLN H . . 3.410 2.690 2.502 2.924 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU H 1 26 GLN HB2 . . 4.840 4.553 4.393 4.738 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU H 1 26 GLN QG . . 5.340 4.734 4.177 5.179 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU H 1 27 ALA H . . 4.780 4.382 4.097 4.646 . 0 0 "[ . 1 . 2]" 1
428 1 25 LEU H 1 27 ALA MB . . 5.310 5.089 4.915 5.279 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU HA 1 25 LEU MD1 . . 4.010 2.401 2.130 2.655 . 0 0 "[ . 1 . 2]" 1
430 1 25 LEU HA 1 25 LEU QD . . 3.060 2.380 2.121 2.618 . 0 0 "[ . 1 . 2]" 1
431 1 25 LEU HA 1 25 LEU MD2 . . 4.010 3.979 3.955 4.018 0.008 19 0 "[ . 1 . 2]" 1
432 1 25 LEU HA 1 25 LEU HG . . 3.980 3.144 2.985 3.277 . 0 0 "[ . 1 . 2]" 1
433 1 25 LEU HA 1 27 ALA MB . . 5.490 5.093 4.807 5.492 0.002 6 0 "[ . 1 . 2]" 1
434 1 25 LEU HA 1 28 HIS H . . 3.890 3.286 3.099 3.526 . 0 0 "[ . 1 . 2]" 1
435 1 25 LEU HA 1 28 HIS HA . . 5.240 5.031 4.899 5.236 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU HA 1 28 HIS HB2 . . 3.850 3.419 3.264 3.604 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU HA 1 28 HIS HB3 . . 3.580 2.157 2.016 2.346 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU HA 1 28 HIS HD2 . . 4.660 3.636 3.284 4.119 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU HA 1 29 LEU H . . 4.480 3.987 3.657 4.478 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU HA 1 29 LEU MD1 . . 5.500 4.989 4.730 5.342 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU HA 1 29 LEU QD . . 4.760 4.529 4.264 4.757 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU HA 1 29 LEU MD2 . . 5.500 5.228 4.585 5.502 0.002 3 0 "[ . 1 . 2]" 1
443 1 25 LEU HA 1 29 LEU HG . . 4.850 4.339 4.071 4.592 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU QB 1 25 LEU QD . . 2.830 1.850 1.769 1.928 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU QB 1 26 GLN H . . 3.480 2.458 2.239 2.644 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU HB2 1 26 GLN H . . 4.330 3.879 3.730 4.012 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU HB3 1 26 GLN H . . 4.330 2.486 2.257 2.682 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU QD 1 26 GLN HA . . 4.860 3.872 3.626 4.050 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU QD 1 28 HIS H . . 4.730 4.376 4.141 4.578 . 0 0 "[ . 1 . 2]" 1
450 1 25 LEU QD 1 28 HIS HB2 . . 4.620 4.310 3.886 4.605 . 0 0 "[ . 1 . 2]" 1
451 1 25 LEU QD 1 28 HIS HB3 . . 4.020 3.062 2.720 3.335 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU QD 1 28 HIS HD2 . . 3.480 2.135 1.915 2.491 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU QD 1 29 LEU H . . 4.270 3.645 3.187 4.212 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU QD 1 29 LEU HA . . 5.130 4.212 3.808 4.516 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU QD 1 29 LEU QD . . 3.230 2.308 2.034 2.623 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU QD 1 29 LEU HG . . 3.530 2.614 2.263 2.965 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU MD1 1 26 GLN H . . 4.840 4.396 4.155 4.608 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU MD2 1 26 GLN H . . 4.840 3.763 3.435 4.040 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU HG 1 26 GLN H . . 4.190 3.310 2.944 3.605 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU HG 1 26 GLN HA . . 4.680 3.331 3.141 3.550 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HG 1 29 LEU QD . . 3.900 2.496 2.169 2.844 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HG 1 29 LEU HG . . 4.250 2.549 2.147 3.009 . 0 0 "[ . 1 . 2]" 1
463 1 26 GLN H 1 26 GLN HB2 . . 3.430 2.346 2.228 2.499 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLN H 1 26 GLN HB3 . . 3.640 3.566 3.520 3.606 . 0 0 "[ . 1 . 2]" 1
465 1 26 GLN H 1 26 GLN HG2 . . 3.920 2.718 2.281 3.849 . 0 0 "[ . 1 . 2]" 1
466 1 26 GLN H 1 26 GLN QG . . 3.400 2.543 2.256 2.927 . 0 0 "[ . 1 . 2]" 1
467 1 26 GLN H 1 26 GLN HG3 . . 3.920 3.516 2.495 3.892 . 0 0 "[ . 1 . 2]" 1
468 1 26 GLN H 1 27 ALA H . . 3.570 2.985 2.824 3.179 . 0 0 "[ . 1 . 2]" 1
469 1 26 GLN H 1 27 ALA MB . . 4.830 4.570 4.435 4.709 . 0 0 "[ . 1 . 2]" 1
470 1 26 GLN H 1 29 LEU QD . . 5.440 4.125 3.773 4.544 . 0 0 "[ . 1 . 2]" 1
471 1 26 GLN HA 1 26 GLN HG2 . . 4.030 2.638 2.255 3.533 . 0 0 "[ . 1 . 2]" 1
472 1 26 GLN HA 1 26 GLN QG . . 3.490 2.522 2.213 2.759 . 0 0 "[ . 1 . 2]" 1
473 1 26 GLN HA 1 26 GLN HG3 . . 4.030 3.546 2.317 3.727 . 0 0 "[ . 1 . 2]" 1
474 1 26 GLN HA 1 27 ALA MB . . 5.500 5.032 5.015 5.046 . 0 0 "[ . 1 . 2]" 1
475 1 26 GLN HA 1 28 HIS H . . 4.440 4.172 3.893 4.418 . 0 0 "[ . 1 . 2]" 1
476 1 26 GLN HA 1 29 LEU H . . 4.330 3.662 3.538 3.923 . 0 0 "[ . 1 . 2]" 1
477 1 26 GLN HA 1 29 LEU HB2 . . 3.700 3.197 2.966 3.377 . 0 0 "[ . 1 . 2]" 1
478 1 26 GLN HA 1 29 LEU HB3 . . 4.820 4.729 4.501 4.828 0.008 16 0 "[ . 1 . 2]" 1
479 1 26 GLN HA 1 29 LEU QD . . 3.170 2.394 2.084 3.023 . 0 0 "[ . 1 . 2]" 1
480 1 26 GLN HB2 1 27 ALA H . . 3.780 2.524 2.299 2.687 . 0 0 "[ . 1 . 2]" 1
481 1 26 GLN HB2 1 27 ALA MB . . 4.760 3.994 3.803 4.138 . 0 0 "[ . 1 . 2]" 1
482 1 26 GLN HB2 1 29 LEU QD . . 5.440 4.866 4.597 5.411 . 0 0 "[ . 1 . 2]" 1
483 1 26 GLN HB3 1 27 ALA H . . 3.690 3.132 2.841 3.463 . 0 0 "[ . 1 . 2]" 1
484 1 26 GLN HB3 1 27 ALA HA . . 5.010 4.067 3.922 4.286 . 0 0 "[ . 1 . 2]" 1
485 1 26 GLN HB3 1 27 ALA MB . . 4.460 4.297 4.118 4.484 0.024 9 0 "[ . 1 . 2]" 1
486 1 26 GLN HB3 1 29 LEU QD . . 5.440 4.420 4.110 4.902 . 0 0 "[ . 1 . 2]" 1
487 1 27 ALA H 1 27 ALA MB . . 2.920 2.127 2.025 2.253 . 0 0 "[ . 1 . 2]" 1
488 1 27 ALA H 1 28 HIS HB3 . . 4.770 4.559 4.412 4.746 . 0 0 "[ . 1 . 2]" 1
489 1 27 ALA H 1 29 LEU H . . 4.650 4.383 4.029 4.588 . 0 0 "[ . 1 . 2]" 1
490 1 27 ALA HA 1 30 ARG H . . 4.590 3.881 3.653 4.014 . 0 0 "[ . 1 . 2]" 1
491 1 27 ALA HA 1 30 ARG QD . . 3.720 3.039 2.146 3.726 0.006 1 0 "[ . 1 . 2]" 1
492 1 27 ALA HA 1 30 ARG HG2 . . 4.590 3.738 2.432 4.322 . 0 0 "[ . 1 . 2]" 1
493 1 27 ALA HA 1 30 ARG QG . . 3.870 2.570 2.238 3.255 . 0 0 "[ . 1 . 2]" 1
494 1 27 ALA HA 1 30 ARG HG3 . . 4.590 2.817 2.257 4.502 . 0 0 "[ . 1 . 2]" 1
495 1 27 ALA MB 1 28 HIS H . . 3.400 2.877 2.630 3.157 . 0 0 "[ . 1 . 2]" 1
496 1 27 ALA MB 1 28 HIS HA . . 4.450 3.853 3.737 4.008 . 0 0 "[ . 1 . 2]" 1
497 1 27 ALA MB 1 28 HIS HB2 . . 4.730 4.454 4.307 4.584 . 0 0 "[ . 1 . 2]" 1
498 1 27 ALA MB 1 28 HIS HB3 . . 4.710 4.549 4.406 4.699 . 0 0 "[ . 1 . 2]" 1
499 1 27 ALA MB 1 30 ARG H . . 4.810 4.720 4.557 4.870 0.060 16 0 "[ . 1 . 2]" 1
500 1 27 ALA MB 1 30 ARG QD . . 4.340 3.594 2.753 4.344 0.004 5 0 "[ . 1 . 2]" 1
501 1 27 ALA MB 1 30 ARG QG . . 5.180 3.748 3.198 4.131 . 0 0 "[ . 1 . 2]" 1
502 1 28 HIS H 1 28 HIS HB2 . . 3.570 2.955 2.814 3.063 . 0 0 "[ . 1 . 2]" 1
503 1 28 HIS H 1 28 HIS HB3 . . 3.180 2.227 2.184 2.327 . 0 0 "[ . 1 . 2]" 1
504 1 28 HIS H 1 29 LEU H . . 3.480 2.586 2.228 2.827 . 0 0 "[ . 1 . 2]" 1
505 1 28 HIS H 1 29 LEU HG . . 5.350 4.529 4.155 4.996 . 0 0 "[ . 1 . 2]" 1
506 1 28 HIS H 1 30 ARG H . . 4.640 3.971 3.783 4.242 . 0 0 "[ . 1 . 2]" 1
507 1 28 HIS HA 1 30 ARG H . . 4.460 3.626 3.429 4.231 . 0 0 "[ . 1 . 2]" 1
508 1 28 HIS HA 1 31 ILE H . . 4.600 3.836 3.531 4.086 . 0 0 "[ . 1 . 2]" 1
509 1 28 HIS HA 1 31 ILE MD . . 5.010 4.639 3.643 5.069 0.059 17 0 "[ . 1 . 2]" 1
510 1 28 HIS HA 1 31 ILE MG . . 4.070 3.333 2.602 3.987 . 0 0 "[ . 1 . 2]" 1
511 1 28 HIS HB2 1 29 LEU H . . 4.300 4.020 3.882 4.321 0.021 18 0 "[ . 1 . 2]" 1
512 1 28 HIS HB3 1 29 LEU H . . 3.740 2.723 2.485 3.266 . 0 0 "[ . 1 . 2]" 1
513 1 28 HIS HD2 1 29 LEU H . . 4.600 3.228 2.570 4.438 . 0 0 "[ . 1 . 2]" 1
514 1 28 HIS HD2 1 29 LEU HA . . 3.990 3.265 2.695 3.989 . 0 0 "[ . 1 . 2]" 1
515 1 28 HIS HD2 1 29 LEU QD . . 3.670 3.032 2.407 3.483 . 0 0 "[ . 1 . 2]" 1
516 1 28 HIS HD2 1 29 LEU HG . . 4.510 3.087 2.545 3.693 . 0 0 "[ . 1 . 2]" 1
517 1 28 HIS HD2 1 32 HIS HD2 . . 4.140 3.424 2.660 3.938 . 0 0 "[ . 1 . 2]" 1
518 1 28 HIS HE1 1 31 ILE MD . . 3.360 2.220 1.979 2.653 . 0 0 "[ . 1 . 2]" 1
519 1 28 HIS HE1 1 31 ILE MG . . 4.600 4.389 3.890 4.604 0.004 18 0 "[ . 1 . 2]" 1
520 1 29 LEU H 1 29 LEU HB2 . . 3.390 2.425 2.268 2.539 . 0 0 "[ . 1 . 2]" 1
521 1 29 LEU H 1 29 LEU HB3 . . 3.590 3.583 3.548 3.603 0.013 17 0 "[ . 1 . 2]" 1
522 1 29 LEU H 1 29 LEU MD1 . . 3.940 3.542 3.331 3.831 . 0 0 "[ . 1 . 2]" 1
523 1 29 LEU H 1 29 LEU MD2 . . 3.940 3.599 3.305 3.932 . 0 0 "[ . 1 . 2]" 1
524 1 29 LEU H 1 29 LEU HG . . 3.420 2.408 2.145 2.864 . 0 0 "[ . 1 . 2]" 1
525 1 29 LEU H 1 30 ARG H . . 3.620 2.790 2.381 3.009 . 0 0 "[ . 1 . 2]" 1
526 1 29 LEU H 1 32 HIS HD2 . . 5.010 4.574 4.399 4.888 . 0 0 "[ . 1 . 2]" 1
527 1 29 LEU HA 1 29 LEU MD1 . . 4.170 3.865 3.793 3.906 . 0 0 "[ . 1 . 2]" 1
528 1 29 LEU HA 1 29 LEU QD . . 2.970 2.066 1.968 2.277 . 0 0 "[ . 1 . 2]" 1
529 1 29 LEU HA 1 29 LEU MD2 . . 4.170 2.074 1.974 2.293 . 0 0 "[ . 1 . 2]" 1
530 1 29 LEU HA 1 29 LEU HG . . 3.780 2.878 2.736 3.077 . 0 0 "[ . 1 . 2]" 1
531 1 29 LEU HA 1 31 ILE H . . 4.570 4.140 3.533 4.509 . 0 0 "[ . 1 . 2]" 1
532 1 29 LEU HA 1 32 HIS H . . 4.210 3.299 2.877 3.677 . 0 0 "[ . 1 . 2]" 1
533 1 29 LEU HA 1 32 HIS QB . . 4.640 2.922 2.338 3.630 . 0 0 "[ . 1 . 2]" 1
534 1 29 LEU HA 1 32 HIS HD2 . . 3.250 2.170 2.000 2.466 . 0 0 "[ . 1 . 2]" 1
535 1 29 LEU HB2 1 29 LEU MD1 . . 3.520 2.222 2.070 2.354 . 0 0 "[ . 1 . 2]" 1
536 1 29 LEU HB2 1 29 LEU QD . . 2.980 2.180 2.045 2.295 . 0 0 "[ . 1 . 2]" 1
537 1 29 LEU HB2 1 29 LEU MD2 . . 3.520 3.177 3.161 3.190 . 0 0 "[ . 1 . 2]" 1
538 1 29 LEU HB2 1 30 ARG H . . 4.710 3.087 2.749 3.383 . 0 0 "[ . 1 . 2]" 1
539 1 29 LEU HB2 1 33 THR MG . . 4.750 4.210 3.264 4.729 . 0 0 "[ . 1 . 2]" 1
540 1 29 LEU HB3 1 29 LEU MD1 . . 3.590 2.440 2.317 2.563 . 0 0 "[ . 1 . 2]" 1
541 1 29 LEU HB3 1 29 LEU QD . . 2.950 2.104 2.058 2.156 . 0 0 "[ . 1 . 2]" 1
542 1 29 LEU HB3 1 29 LEU MD2 . . 3.590 2.304 2.194 2.353 . 0 0 "[ . 1 . 2]" 1
543 1 29 LEU HB3 1 30 ARG H . . 4.310 3.841 3.415 4.105 . 0 0 "[ . 1 . 2]" 1
544 1 29 LEU HB3 1 33 THR MG . . 4.580 3.109 2.344 3.903 . 0 0 "[ . 1 . 2]" 1
545 1 29 LEU QD 1 30 ARG H . . 5.440 4.287 4.133 4.399 . 0 0 "[ . 1 . 2]" 1
546 1 29 LEU QD 1 32 HIS H . . 4.600 4.355 4.007 4.567 . 0 0 "[ . 1 . 2]" 1
547 1 29 LEU QD 1 32 HIS QB . . 3.920 2.933 2.447 3.419 . 0 0 "[ . 1 . 2]" 1
548 1 29 LEU QD 1 32 HIS HD2 . . 3.300 2.369 2.007 2.861 . 0 0 "[ . 1 . 2]" 1
549 1 29 LEU QD 1 33 THR MG . . 4.550 3.632 3.015 4.380 . 0 0 "[ . 1 . 2]" 1
550 1 29 LEU HG 1 32 HIS HD2 . . 4.880 4.232 3.858 4.576 . 0 0 "[ . 1 . 2]" 1
551 1 30 ARG H 1 30 ARG HB2 . . 3.690 2.493 2.343 3.561 . 0 0 "[ . 1 . 2]" 1
552 1 30 ARG H 1 30 ARG QB . . 3.130 2.416 2.313 2.745 . 0 0 "[ . 1 . 2]" 1
553 1 30 ARG H 1 30 ARG HB3 . . 3.690 3.546 2.854 3.599 . 0 0 "[ . 1 . 2]" 1
554 1 30 ARG H 1 30 ARG QD . . 4.350 3.869 1.745 4.365 0.015 12 0 "[ . 1 . 2]" 1
555 1 30 ARG H 1 30 ARG HG2 . . 3.680 3.183 1.867 3.653 . 0 0 "[ . 1 . 2]" 1
556 1 30 ARG H 1 30 ARG QG . . 3.130 2.332 1.831 3.249 0.119 16 0 "[ . 1 . 2]" 1
557 1 30 ARG H 1 30 ARG HG3 . . 3.680 2.598 2.170 3.641 . 0 0 "[ . 1 . 2]" 1
558 1 30 ARG H 1 31 ILE H . . 3.580 2.874 2.781 2.960 . 0 0 "[ . 1 . 2]" 1
559 1 30 ARG H 1 31 ILE MG . . 4.750 4.200 3.961 4.443 . 0 0 "[ . 1 . 2]" 1
560 1 30 ARG HA 1 30 ARG QD . . 4.280 3.770 2.019 4.423 0.143 18 0 "[ . 1 . 2]" 1
561 1 30 ARG HA 1 30 ARG HG2 . . 3.680 2.601 2.259 3.707 0.027 16 0 "[ . 1 . 2]" 1
562 1 30 ARG HA 1 30 ARG QG . . 3.200 2.438 2.213 3.268 0.068 18 0 "[ . 1 . 2]" 1
563 1 30 ARG HA 1 30 ARG HG3 . . 3.680 3.161 2.560 3.750 0.070 5 0 "[ . 1 . 2]" 1
564 1 30 ARG QB 1 30 ARG QD . . 3.140 2.229 2.110 2.719 . 0 0 "[ . 1 . 2]" 1
565 1 30 ARG QB 1 31 ILE H . . 3.960 2.515 2.319 3.343 . 0 0 "[ . 1 . 2]" 1
566 1 30 ARG QB 1 31 ILE MG . . 4.490 3.121 2.893 3.570 . 0 0 "[ . 1 . 2]" 1
567 1 30 ARG HB2 1 30 ARG QD . . 3.840 2.714 2.226 3.491 . 0 0 "[ . 1 . 2]" 1
568 1 30 ARG HB3 1 30 ARG QD . . 3.840 2.502 2.170 3.298 . 0 0 "[ . 1 . 2]" 1
569 1 31 ILE H 1 31 ILE HB . . 3.620 3.609 3.580 3.659 0.039 14 0 "[ . 1 . 2]" 1
570 1 31 ILE H 1 31 ILE MD . . 4.190 3.924 3.676 4.058 . 0 0 "[ . 1 . 2]" 1
571 1 31 ILE H 1 31 ILE HG12 . . 4.210 2.531 2.317 3.340 . 0 0 "[ . 1 . 2]" 1
572 1 31 ILE H 1 31 ILE QG . . 3.420 2.405 2.252 2.562 . 0 0 "[ . 1 . 2]" 1
573 1 31 ILE H 1 31 ILE HG13 . . 4.210 3.186 2.492 3.780 . 0 0 "[ . 1 . 2]" 1
574 1 31 ILE H 1 31 ILE MG . . 3.240 2.060 1.879 2.383 . 0 0 "[ . 1 . 2]" 1
575 1 31 ILE H 1 32 HIS H . . 3.320 2.680 2.314 2.836 . 0 0 "[ . 1 . 2]" 1
576 1 31 ILE HA 1 31 ILE MD . . 4.130 4.076 3.641 4.161 0.031 18 0 "[ . 1 . 2]" 1
577 1 31 ILE HA 1 31 ILE QG . . 3.660 3.304 3.268 3.387 . 0 0 "[ . 1 . 2]" 1
578 1 31 ILE HA 1 31 ILE MG . . 3.090 2.406 2.311 2.540 . 0 0 "[ . 1 . 2]" 1
579 1 31 ILE HB 1 31 ILE MD . . 3.230 2.199 2.089 2.434 . 0 0 "[ . 1 . 2]" 1
580 1 31 ILE HB 1 32 HIS H . . 4.090 4.048 3.898 4.108 0.018 1 0 "[ . 1 . 2]" 1
581 1 31 ILE MD 1 32 HIS H . . 4.710 3.894 2.684 4.084 . 0 0 "[ . 1 . 2]" 1
582 1 31 ILE QG 1 31 ILE MG . . 3.270 2.124 1.977 2.359 . 0 0 "[ . 1 . 2]" 1
583 1 31 ILE QG 1 32 HIS H . . 3.790 2.228 1.880 2.404 . 0 0 "[ . 1 . 2]" 1
584 1 31 ILE HG12 1 32 HIS H . . 4.400 3.048 2.020 3.627 . 0 0 "[ . 1 . 2]" 1
585 1 31 ILE HG13 1 32 HIS H . . 4.400 2.348 1.886 2.669 . 0 0 "[ . 1 . 2]" 1
586 1 31 ILE MG 1 32 HIS H . . 4.030 3.882 3.591 3.982 . 0 0 "[ . 1 . 2]" 1
587 1 31 ILE MG 1 32 HIS HD2 . . 5.500 5.387 5.026 5.506 0.006 9 0 "[ . 1 . 2]" 1
588 1 32 HIS H 1 32 HIS HB2 . . 3.740 2.409 2.309 2.528 . 0 0 "[ . 1 . 2]" 1
589 1 32 HIS H 1 32 HIS QB . . 3.200 2.375 2.282 2.485 . 0 0 "[ . 1 . 2]" 1
590 1 32 HIS H 1 32 HIS HB3 . . 3.740 3.616 3.569 3.664 . 0 0 "[ . 1 . 2]" 1
591 1 32 HIS H 1 32 HIS HD2 . . 4.080 3.580 3.331 3.732 . 0 0 "[ . 1 . 2]" 1
592 1 32 HIS H 1 33 THR H . . 3.830 2.625 2.246 3.461 . 0 0 "[ . 1 . 2]" 1
593 1 32 HIS HA 1 33 THR HA . . 5.240 4.583 4.340 4.767 . 0 0 "[ . 1 . 2]" 1
594 1 32 HIS QB 1 33 THR MG . . 4.560 3.140 2.687 3.624 . 0 0 "[ . 1 . 2]" 1
595 1 33 THR H 1 33 THR MG . . 4.340 2.506 1.835 3.342 . 0 0 "[ . 1 . 2]" 1
596 1 33 THR HA 1 33 THR MG . . 3.250 2.545 2.091 3.193 . 0 0 "[ . 1 . 2]" 1
597 1 33 THR HA 1 34 ASN HA . . 5.500 4.372 4.300 4.477 . 0 0 "[ . 1 . 2]" 1
598 1 34 ASN HA 1 35 GLU QG . . 4.460 4.059 3.484 4.460 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU H 1 35 GLU QG . . 4.560 2.740 1.898 3.535 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU HA 1 35 GLU QG . . 3.580 2.937 2.181 3.449 . 0 0 "[ . 1 . 2]" 1
601 1 36 LYS H 1 39 LYS QE . . 5.500 4.782 3.251 5.442 . 0 0 "[ . 1 . 2]" 1
602 1 36 LYS H 1 46 ALA MB . . 5.070 3.911 3.017 4.663 . 0 0 "[ . 1 . 2]" 1
603 1 36 LYS HA 1 36 LYS QD . . 4.680 3.480 2.035 4.184 . 0 0 "[ . 1 . 2]" 1
604 1 36 LYS HA 1 36 LYS HG2 . . 4.020 3.248 2.441 3.654 . 0 0 "[ . 1 . 2]" 1
605 1 36 LYS HA 1 36 LYS QG . . 3.380 2.367 2.155 2.991 . 0 0 "[ . 1 . 2]" 1
606 1 36 LYS HA 1 36 LYS HG3 . . 4.020 2.530 2.175 3.831 . 0 0 "[ . 1 . 2]" 1
607 1 36 LYS HA 1 37 PRO HD2 . . 3.470 2.069 1.916 2.394 . 0 0 "[ . 1 . 2]" 1
608 1 36 LYS HA 1 37 PRO HD3 . . 3.500 2.333 2.253 2.588 . 0 0 "[ . 1 . 2]" 1
609 1 36 LYS HA 1 37 PRO QG . . 4.470 3.829 3.767 3.998 . 0 0 "[ . 1 . 2]" 1
610 1 36 LYS HA 1 38 TYR H . . 4.650 4.189 3.928 4.456 . 0 0 "[ . 1 . 2]" 1
611 1 36 LYS HA 1 48 ALA HA . . 3.900 3.454 3.040 3.904 0.004 1 0 "[ . 1 . 2]" 1
612 1 36 LYS HA 1 48 ALA MB . . 4.230 3.572 2.729 4.134 . 0 0 "[ . 1 . 2]" 1
613 1 36 LYS QB 1 36 LYS QD . . 3.330 2.181 1.996 2.387 . 0 0 "[ . 1 . 2]" 1
614 1 36 LYS QB 1 46 ALA MB . . 3.320 1.848 1.706 2.103 . 0 0 "[ . 1 . 2]" 1
615 1 36 LYS QB 1 47 SER H . . 4.470 2.871 2.444 3.233 . 0 0 "[ . 1 . 2]" 1
616 1 36 LYS QG 1 37 PRO HD2 . . 4.210 3.439 2.859 4.070 . 0 0 "[ . 1 . 2]" 1
617 1 36 LYS QG 1 37 PRO HD3 . . 4.740 4.266 3.750 4.818 0.078 18 0 "[ . 1 . 2]" 1
618 1 36 LYS QG 1 47 SER HA . . 4.520 2.370 1.987 3.588 . 0 0 "[ . 1 . 2]" 1
619 1 36 LYS QG 1 48 ALA MB . . 3.880 2.915 1.862 3.617 . 0 0 "[ . 1 . 2]" 1
620 1 37 PRO HA 1 38 TYR HA . . 4.790 4.696 4.628 4.747 . 0 0 "[ . 1 . 2]" 1
621 1 37 PRO HA 1 39 LYS QE . . 4.490 3.945 2.986 4.514 0.024 3 0 "[ . 1 . 2]" 1
622 1 37 PRO HB2 1 38 TYR H . . 4.310 2.921 2.858 3.175 . 0 0 "[ . 1 . 2]" 1
623 1 37 PRO HB2 1 38 TYR HA . . 4.510 4.004 3.947 4.128 . 0 0 "[ . 1 . 2]" 1
624 1 37 PRO HB3 1 38 TYR H . . 4.130 3.903 3.866 4.048 . 0 0 "[ . 1 . 2]" 1
625 1 37 PRO HB3 1 38 TYR HA . . 5.500 5.506 5.481 5.567 0.067 1 0 "[ . 1 . 2]" 1
626 1 37 PRO HB3 1 38 TYR QD . . 5.500 5.235 4.910 5.464 . 0 0 "[ . 1 . 2]" 1
627 1 37 PRO HB3 1 48 ALA HA . . 5.500 5.474 5.042 5.543 0.043 12 0 "[ . 1 . 2]" 1
628 1 37 PRO HD2 1 38 TYR H . . 4.080 2.748 2.661 2.774 . 0 0 "[ . 1 . 2]" 1
629 1 37 PRO HD2 1 38 TYR QB . . 4.910 4.415 4.303 4.518 . 0 0 "[ . 1 . 2]" 1
630 1 37 PRO HD2 1 38 TYR QD . . 4.470 3.647 2.990 4.070 . 0 0 "[ . 1 . 2]" 1
631 1 37 PRO HD2 1 38 TYR QE . . 5.050 4.824 4.096 5.072 0.022 6 0 "[ . 1 . 2]" 1
632 1 37 PRO HD2 1 48 ALA HA . . 3.650 2.015 1.980 2.204 . 0 0 "[ . 1 . 2]" 1
633 1 37 PRO HD2 1 48 ALA MB . . 4.020 3.129 2.065 3.457 . 0 0 "[ . 1 . 2]" 1
634 1 37 PRO HD3 1 38 TYR H . . 4.330 3.872 3.839 3.882 . 0 0 "[ . 1 . 2]" 1
635 1 37 PRO HD3 1 48 ALA HA . . 3.770 3.482 3.357 3.690 . 0 0 "[ . 1 . 2]" 1
636 1 37 PRO HD3 1 48 ALA MB . . 4.280 3.774 3.065 4.069 . 0 0 "[ . 1 . 2]" 1
637 1 37 PRO QG 1 38 TYR H . . 3.900 1.934 1.880 2.169 . 0 0 "[ . 1 . 2]" 1
638 1 37 PRO QG 1 38 TYR QB . . 4.920 3.702 3.589 3.785 . 0 0 "[ . 1 . 2]" 1
639 1 37 PRO QG 1 38 TYR QD . . 4.020 2.602 2.053 3.173 . 0 0 "[ . 1 . 2]" 1
640 1 37 PRO QG 1 38 TYR QE . . 3.800 3.145 2.599 3.485 . 0 0 "[ . 1 . 2]" 1
641 1 37 PRO QG 1 48 ALA HA . . 3.890 2.905 2.294 3.017 . 0 0 "[ . 1 . 2]" 1
642 1 37 PRO HG2 1 38 TYR H . . 4.670 1.942 1.888 2.183 . 0 0 "[ . 1 . 2]" 1
643 1 37 PRO HG2 1 38 TYR QE . . 4.540 3.293 2.713 3.646 . 0 0 "[ . 1 . 2]" 1
644 1 37 PRO HG2 1 48 ALA HA . . 4.470 3.052 2.322 3.209 . 0 0 "[ . 1 . 2]" 1
645 1 37 PRO HG3 1 38 TYR H . . 4.670 3.561 3.518 3.742 . 0 0 "[ . 1 . 2]" 1
646 1 37 PRO HG3 1 38 TYR QE . . 4.540 3.990 3.304 4.429 . 0 0 "[ . 1 . 2]" 1
647 1 37 PRO HG3 1 48 ALA HA . . 4.470 3.671 3.488 3.786 . 0 0 "[ . 1 . 2]" 1
648 1 38 TYR H 1 38 TYR QB . . 3.350 2.503 2.402 2.582 . 0 0 "[ . 1 . 2]" 1
649 1 38 TYR H 1 38 TYR QD . . 3.700 2.642 2.090 3.020 . 0 0 "[ . 1 . 2]" 1
650 1 38 TYR H 1 38 TYR QE . . 4.580 4.270 3.893 4.418 . 0 0 "[ . 1 . 2]" 1
651 1 38 TYR H 1 39 LYS H . . 4.500 4.432 4.286 4.550 0.050 16 0 "[ . 1 . 2]" 1
652 1 38 TYR H 1 47 SER H . . 4.450 4.041 3.809 4.489 0.039 7 0 "[ . 1 . 2]" 1
653 1 38 TYR H 1 53 LEU QD . . 5.110 4.763 4.584 4.900 . 0 0 "[ . 1 . 2]" 1
654 1 38 TYR HA 1 38 TYR QD . . 3.540 2.647 2.344 3.013 . 0 0 "[ . 1 . 2]" 1
655 1 38 TYR HA 1 38 TYR QE . . 5.080 4.613 4.508 4.787 . 0 0 "[ . 1 . 2]" 1
656 1 38 TYR HA 1 39 LYS H . . 2.960 2.149 2.137 2.177 . 0 0 "[ . 1 . 2]" 1
657 1 38 TYR HA 1 53 LEU QD . . 3.740 3.600 3.369 3.745 0.005 18 0 "[ . 1 . 2]" 1
658 1 38 TYR QB 1 39 LYS H . . 3.850 3.365 3.114 3.603 . 0 0 "[ . 1 . 2]" 1
659 1 38 TYR QB 1 46 ALA MB . . 4.780 4.221 3.981 4.506 . 0 0 "[ . 1 . 2]" 1
660 1 38 TYR QB 1 47 SER H . . 4.000 2.810 2.587 3.079 . 0 0 "[ . 1 . 2]" 1
661 1 38 TYR QB 1 47 SER QB . . 4.370 3.756 3.113 4.364 . 0 0 "[ . 1 . 2]" 1
662 1 38 TYR QB 1 53 LEU HB2 . . 4.140 3.174 2.976 3.378 . 0 0 "[ . 1 . 2]" 1
663 1 38 TYR QB 1 53 LEU HB3 . . 4.140 3.813 3.473 4.073 . 0 0 "[ . 1 . 2]" 1
664 1 38 TYR QB 1 53 LEU MD1 . . 4.170 3.357 2.098 3.700 . 0 0 "[ . 1 . 2]" 1
665 1 38 TYR QB 1 53 LEU QD . . 3.140 2.008 1.903 2.135 . 0 0 "[ . 1 . 2]" 1
666 1 38 TYR QB 1 53 LEU MD2 . . 4.170 2.091 1.911 3.448 . 0 0 "[ . 1 . 2]" 1
667 1 38 TYR QB 1 53 LEU HG . . 4.840 4.638 4.509 4.795 . 0 0 "[ . 1 . 2]" 1
668 1 38 TYR QD 1 39 LYS H . . 4.420 4.282 4.087 4.428 0.008 14 0 "[ . 1 . 2]" 1
669 1 38 TYR QD 1 47 SER QB . . 5.070 4.420 3.369 5.122 0.052 7 0 "[ . 1 . 2]" 1
670 1 38 TYR QD 1 48 ALA HA . . 3.930 2.941 1.992 3.362 . 0 0 "[ . 1 . 2]" 1
671 1 38 TYR QD 1 48 ALA MB . . 4.540 4.250 3.443 4.478 . 0 0 "[ . 1 . 2]" 1
672 1 38 TYR QD 1 49 ILE H . . 4.480 3.696 2.267 4.490 0.010 12 0 "[ . 1 . 2]" 1
673 1 38 TYR QD 1 50 LYS HA . . 4.060 3.570 3.059 3.778 . 0 0 "[ . 1 . 2]" 1
674 1 38 TYR QD 1 50 LYS QB . . 4.950 4.488 2.934 4.979 0.029 12 0 "[ . 1 . 2]" 1
675 1 38 TYR QD 1 50 LYS QE . . 4.420 3.833 2.870 4.429 0.009 6 0 "[ . 1 . 2]" 1
676 1 38 TYR QD 1 50 LYS HG2 . . 5.500 4.127 3.120 5.507 0.007 19 0 "[ . 1 . 2]" 1
677 1 38 TYR QD 1 50 LYS QG . . 4.650 3.482 2.825 4.610 . 0 0 "[ . 1 . 2]" 1
678 1 38 TYR QD 1 50 LYS HG3 . . 5.500 4.122 2.859 5.363 . 0 0 "[ . 1 . 2]" 1
679 1 38 TYR QD 1 53 LEU QD . . 3.940 3.397 2.689 3.847 . 0 0 "[ . 1 . 2]" 1
680 1 38 TYR QE 1 48 ALA HA . . 5.320 4.054 3.414 4.467 . 0 0 "[ . 1 . 2]" 1
681 1 38 TYR QE 1 48 ALA MB . . 4.800 4.563 4.128 4.814 0.014 12 0 "[ . 1 . 2]" 1
682 1 38 TYR QE 1 49 ILE HA . . 4.420 3.307 2.199 4.330 . 0 0 "[ . 1 . 2]" 1
683 1 38 TYR QE 1 50 LYS HA . . 4.600 3.936 3.162 4.412 . 0 0 "[ . 1 . 2]" 1
684 1 38 TYR QE 1 50 LYS QB . . 4.210 3.772 2.258 4.290 0.080 12 0 "[ . 1 . 2]" 1
685 1 38 TYR QE 1 50 LYS HD2 . . 4.790 3.875 2.424 4.772 . 0 0 "[ . 1 . 2]" 1
686 1 38 TYR QE 1 50 LYS QD . . 4.090 3.224 1.985 3.993 . 0 0 "[ . 1 . 2]" 1
687 1 38 TYR QE 1 50 LYS HD3 . . 4.790 3.834 1.994 4.779 . 0 0 "[ . 1 . 2]" 1
688 1 38 TYR QE 1 50 LYS QE . . 4.110 2.580 1.776 3.934 . 0 0 "[ . 1 . 2]" 1
689 1 38 TYR QE 1 50 LYS HG2 . . 4.640 3.381 2.294 4.635 . 0 0 "[ . 1 . 2]" 1
690 1 38 TYR QE 1 50 LYS QG . . 3.980 2.777 2.179 3.814 . 0 0 "[ . 1 . 2]" 1
691 1 38 TYR QE 1 50 LYS HG3 . . 4.640 3.193 2.333 4.647 0.007 20 0 "[ . 1 . 2]" 1
692 1 38 TYR QE 1 53 LEU QD . . 5.440 4.887 4.297 5.288 . 0 0 "[ . 1 . 2]" 1
693 1 39 LYS H 1 39 LYS HB2 . . 3.630 2.428 2.268 2.587 . 0 0 "[ . 1 . 2]" 1
694 1 39 LYS H 1 39 LYS QB . . 3.170 2.374 2.242 2.539 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS H 1 39 LYS HB3 . . 3.630 3.480 2.827 3.688 0.058 7 0 "[ . 1 . 2]" 1
696 1 39 LYS H 1 39 LYS QE . . 5.500 4.609 3.732 5.443 . 0 0 "[ . 1 . 2]" 1
697 1 39 LYS H 1 39 LYS HG2 . . 4.680 4.546 4.327 4.727 0.047 3 0 "[ . 1 . 2]" 1
698 1 39 LYS H 1 39 LYS QG . . 4.010 3.656 3.145 4.048 0.038 3 0 "[ . 1 . 2]" 1
699 1 39 LYS H 1 39 LYS HG3 . . 4.680 3.879 3.227 4.416 . 0 0 "[ . 1 . 2]" 1
700 1 39 LYS H 1 40 CYS H . . 4.840 4.492 4.408 4.556 . 0 0 "[ . 1 . 2]" 1
701 1 39 LYS H 1 46 ALA MB . . 4.560 4.351 4.144 4.570 0.010 7 0 "[ . 1 . 2]" 1
702 1 39 LYS H 1 53 LEU QD . . 4.060 3.462 2.918 3.769 . 0 0 "[ . 1 . 2]" 1
703 1 39 LYS HA 1 39 LYS HD2 . . 4.600 3.957 2.717 4.489 . 0 0 "[ . 1 . 2]" 1
704 1 39 LYS HA 1 39 LYS HD3 . . 4.600 4.216 2.855 4.625 0.025 9 0 "[ . 1 . 2]" 1
705 1 39 LYS HA 1 39 LYS QE . . 4.710 4.274 3.381 4.648 . 0 0 "[ . 1 . 2]" 1
706 1 39 LYS HA 1 39 LYS HG2 . . 4.190 3.037 2.404 3.579 . 0 0 "[ . 1 . 2]" 1
707 1 39 LYS HA 1 39 LYS HG3 . . 4.190 2.400 2.173 2.806 . 0 0 "[ . 1 . 2]" 1
708 1 39 LYS HA 1 40 CYS H . . 3.340 2.251 2.167 2.279 . 0 0 "[ . 1 . 2]" 1
709 1 39 LYS HA 1 45 TYR QD . . 5.140 4.651 3.965 4.938 . 0 0 "[ . 1 . 2]" 1
710 1 39 LYS HA 1 46 ALA MB . . 3.520 2.305 2.053 2.804 . 0 0 "[ . 1 . 2]" 1
711 1 39 LYS HA 1 47 SER H . . 4.250 3.902 3.501 4.274 0.024 7 0 "[ . 1 . 2]" 1
712 1 39 LYS QB 1 39 LYS QE . . 4.350 3.083 1.968 3.775 . 0 0 "[ . 1 . 2]" 1
713 1 39 LYS QB 1 40 CYS H . . 3.860 2.941 2.743 3.624 . 0 0 "[ . 1 . 2]" 1
714 1 39 LYS QB 1 46 ALA MB . . 3.780 3.592 3.240 3.789 0.009 13 0 "[ . 1 . 2]" 1
715 1 39 LYS HB2 1 40 CYS H . . 4.420 4.151 4.035 4.357 . 0 0 "[ . 1 . 2]" 1
716 1 39 LYS HB2 1 46 ALA MB . . 4.470 4.137 3.430 4.416 . 0 0 "[ . 1 . 2]" 1
717 1 39 LYS HB3 1 40 CYS H . . 4.420 3.018 2.790 3.876 . 0 0 "[ . 1 . 2]" 1
718 1 39 LYS HB3 1 46 ALA MB . . 4.470 4.002 3.481 4.472 0.002 3 0 "[ . 1 . 2]" 1
719 1 39 LYS QD 1 40 CYS H . . 5.120 4.780 4.452 5.010 . 0 0 "[ . 1 . 2]" 1
720 1 39 LYS QD 1 46 ALA MB . . 4.300 3.367 2.236 4.126 . 0 0 "[ . 1 . 2]" 1
721 1 39 LYS QE 1 39 LYS QG . . 3.470 2.219 2.093 2.531 . 0 0 "[ . 1 . 2]" 1
722 1 39 LYS QE 1 46 ALA MB . . 4.940 3.393 2.361 4.281 . 0 0 "[ . 1 . 2]" 1
723 1 39 LYS QG 1 40 CYS H . . 4.140 3.350 2.503 3.599 . 0 0 "[ . 1 . 2]" 1
724 1 39 LYS HG2 1 40 CYS H . . 4.760 3.891 2.788 4.705 . 0 0 "[ . 1 . 2]" 1
725 1 39 LYS HG2 1 46 ALA MB . . 3.780 3.013 1.973 3.781 0.001 13 0 "[ . 1 . 2]" 1
726 1 39 LYS HG3 1 40 CYS H . . 4.760 3.905 2.833 4.663 . 0 0 "[ . 1 . 2]" 1
727 1 39 LYS HG3 1 46 ALA MB . . 3.780 2.264 1.956 2.822 . 0 0 "[ . 1 . 2]" 1
728 1 40 CYS H 1 40 CYS HB2 . . 3.620 2.625 2.433 2.943 . 0 0 "[ . 1 . 2]" 1
729 1 40 CYS H 1 40 CYS HB3 . . 3.530 2.525 2.431 2.665 . 0 0 "[ . 1 . 2]" 1
730 1 40 CYS H 1 43 CYS H . . 5.320 5.144 4.639 5.346 0.026 19 0 "[ . 1 . 2]" 1
731 1 40 CYS H 1 45 TYR HB3 . . 4.350 3.993 3.196 4.252 . 0 0 "[ . 1 . 2]" 1
732 1 40 CYS H 1 45 TYR QD . . 4.280 3.747 3.283 3.953 . 0 0 "[ . 1 . 2]" 1
733 1 40 CYS H 1 46 ALA HA . . 4.330 3.234 2.808 3.751 . 0 0 "[ . 1 . 2]" 1
734 1 40 CYS H 1 46 ALA MB . . 4.160 3.550 3.334 4.114 . 0 0 "[ . 1 . 2]" 1
735 1 40 CYS H 1 53 LEU MD1 . . 4.870 3.292 2.852 3.701 . 0 0 "[ . 1 . 2]" 1
736 1 40 CYS H 1 53 LEU QD . . 3.880 3.197 2.834 3.556 . 0 0 "[ . 1 . 2]" 1
737 1 40 CYS H 1 53 LEU MD2 . . 4.870 4.393 3.462 4.876 0.006 17 0 "[ . 1 . 2]" 1
738 1 40 CYS HA 1 41 PRO HD2 . . 3.400 2.044 1.946 2.133 . 0 0 "[ . 1 . 2]" 1
739 1 40 CYS HA 1 41 PRO QD . . 2.970 1.906 1.859 1.949 . 0 0 "[ . 1 . 2]" 1
740 1 40 CYS HA 1 41 PRO HD3 . . 3.400 2.286 2.254 2.362 . 0 0 "[ . 1 . 2]" 1
741 1 40 CYS HA 1 43 CYS H . . 4.940 4.743 4.421 4.951 0.011 19 0 "[ . 1 . 2]" 1
742 1 40 CYS HA 1 45 TYR QD . . 5.410 4.372 4.070 4.559 . 0 0 "[ . 1 . 2]" 1
743 1 40 CYS HA 1 53 LEU MD1 . . 3.960 2.605 2.177 2.963 . 0 0 "[ . 1 . 2]" 1
744 1 40 CYS HA 1 53 LEU QD . . 3.150 2.476 2.144 2.780 . 0 0 "[ . 1 . 2]" 1
745 1 40 CYS HA 1 53 LEU MD2 . . 3.960 3.205 2.336 3.702 . 0 0 "[ . 1 . 2]" 1
746 1 40 CYS HA 1 57 LEU MD1 . . 4.710 4.580 4.292 4.714 0.004 9 0 "[ . 1 . 2]" 1
747 1 40 CYS HA 1 57 LEU MD2 . . 3.700 3.197 2.906 3.579 . 0 0 "[ . 1 . 2]" 1
748 1 40 CYS HB2 1 41 PRO QD . . 4.480 3.696 3.489 3.875 . 0 0 "[ . 1 . 2]" 1
749 1 40 CYS HB2 1 43 CYS H . . 4.400 4.099 3.870 4.388 . 0 0 "[ . 1 . 2]" 1
750 1 40 CYS HB2 1 45 TYR H . . 4.210 3.490 3.126 4.210 0.000 10 0 "[ . 1 . 2]" 1
751 1 40 CYS HB2 1 45 TYR HB2 . . 4.480 4.074 3.727 4.464 . 0 0 "[ . 1 . 2]" 1
752 1 40 CYS HB2 1 45 TYR HB3 . . 4.000 2.330 2.002 2.732 . 0 0 "[ . 1 . 2]" 1
753 1 40 CYS HB2 1 45 TYR QD . . 3.890 2.391 2.148 2.663 . 0 0 "[ . 1 . 2]" 1
754 1 40 CYS HB2 1 53 LEU QD . . 3.700 2.446 2.037 2.743 . 0 0 "[ . 1 . 2]" 1
755 1 40 CYS HB2 1 56 HIS HD2 . . 3.960 3.072 2.694 3.579 . 0 0 "[ . 1 . 2]" 1
756 1 40 CYS HB2 1 57 LEU MD2 . . 4.590 3.803 3.082 4.422 . 0 0 "[ . 1 . 2]" 1
757 1 40 CYS HB3 1 41 PRO QD . . 4.760 3.984 3.852 4.206 . 0 0 "[ . 1 . 2]" 1
758 1 40 CYS HB3 1 42 GLN H . . 4.570 3.525 3.202 4.250 . 0 0 "[ . 1 . 2]" 1
759 1 40 CYS HB3 1 43 CYS H . . 3.660 2.802 2.406 3.257 . 0 0 "[ . 1 . 2]" 1
760 1 40 CYS HB3 1 44 SER HA . . 5.280 4.209 3.793 4.428 . 0 0 "[ . 1 . 2]" 1
761 1 40 CYS HB3 1 45 TYR H . . 4.090 2.333 1.885 3.439 . 0 0 "[ . 1 . 2]" 1
762 1 40 CYS HB3 1 45 TYR HB2 . . 4.270 3.991 3.541 4.211 . 0 0 "[ . 1 . 2]" 1
763 1 40 CYS HB3 1 45 TYR HB3 . . 4.000 2.507 2.018 2.709 . 0 0 "[ . 1 . 2]" 1
764 1 40 CYS HB3 1 45 TYR QD . . 4.120 3.727 2.990 3.936 . 0 0 "[ . 1 . 2]" 1
765 1 40 CYS HB3 1 53 LEU QD . . 3.970 3.769 3.433 3.981 0.011 7 0 "[ . 1 . 2]" 1
766 1 40 CYS HB3 1 56 HIS HD2 . . 4.580 4.379 4.058 4.588 0.008 14 0 "[ . 1 . 2]" 1
767 1 41 PRO HB2 1 42 GLN QG . . 4.340 3.668 3.441 4.033 . 0 0 "[ . 1 . 2]" 1
768 1 41 PRO HB3 1 42 GLN QG . . 5.100 4.914 4.723 5.162 0.062 13 0 "[ . 1 . 2]" 1
769 1 41 PRO QD 1 42 GLN H . . 3.570 2.826 2.603 3.020 . 0 0 "[ . 1 . 2]" 1
770 1 41 PRO QD 1 53 LEU QD . . 3.590 2.976 2.617 3.360 . 0 0 "[ . 1 . 2]" 1
771 1 41 PRO QD 1 57 LEU MD1 . . 4.080 3.469 3.177 3.823 . 0 0 "[ . 1 . 2]" 1
772 1 41 PRO QD 1 57 LEU MD2 . . 3.090 2.098 1.947 2.408 . 0 0 "[ . 1 . 2]" 1
773 1 41 PRO HD2 1 57 LEU MD1 . . 4.810 3.711 3.429 4.077 . 0 0 "[ . 1 . 2]" 1
774 1 41 PRO HD2 1 57 LEU MD2 . . 3.620 2.119 1.963 2.444 . 0 0 "[ . 1 . 2]" 1
775 1 41 PRO HD3 1 57 LEU MD1 . . 4.810 4.185 3.753 4.622 . 0 0 "[ . 1 . 2]" 1
776 1 41 PRO HD3 1 57 LEU MD2 . . 3.620 3.386 2.890 3.631 0.011 19 0 "[ . 1 . 2]" 1
777 1 41 PRO QG 1 42 GLN H . . 4.390 2.974 2.147 3.376 . 0 0 "[ . 1 . 2]" 1
778 1 41 PRO QG 1 42 GLN QG . . 4.120 2.597 2.422 3.050 . 0 0 "[ . 1 . 2]" 1
779 1 41 PRO QG 1 57 LEU MD1 . . 4.640 3.693 3.235 4.384 . 0 0 "[ . 1 . 2]" 1
780 1 41 PRO QG 1 57 LEU MD2 . . 4.090 2.651 2.226 3.129 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLN H 1 42 GLN HB2 . . 3.770 2.533 2.343 2.729 . 0 0 "[ . 1 . 2]" 1
782 1 42 GLN H 1 42 GLN QB . . 3.240 2.490 2.313 2.662 . 0 0 "[ . 1 . 2]" 1
783 1 42 GLN H 1 42 GLN HB3 . . 3.770 3.677 3.580 3.741 . 0 0 "[ . 1 . 2]" 1
784 1 42 GLN H 1 42 GLN HG2 . . 4.040 2.922 2.163 3.869 . 0 0 "[ . 1 . 2]" 1
785 1 42 GLN H 1 42 GLN QG . . 3.430 2.622 2.142 2.974 . 0 0 "[ . 1 . 2]" 1
786 1 42 GLN H 1 42 GLN HG3 . . 4.040 3.453 2.637 3.940 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLN H 1 43 CYS H . . 3.020 2.435 2.063 2.799 . 0 0 "[ . 1 . 2]" 1
788 1 42 GLN HA 1 42 GLN HG2 . . 3.910 2.776 2.339 3.501 . 0 0 "[ . 1 . 2]" 1
789 1 42 GLN HA 1 42 GLN HG3 . . 3.910 3.609 2.437 3.922 0.012 19 0 "[ . 1 . 2]" 1
790 1 42 GLN QB 1 43 CYS H . . 3.530 2.210 2.005 2.512 . 0 0 "[ . 1 . 2]" 1
791 1 42 GLN QB 1 60 HIS HD2 . . 4.350 3.212 2.697 3.626 . 0 0 "[ . 1 . 2]" 1
792 1 42 GLN HB2 1 43 CYS H . . 4.050 2.245 2.028 2.559 . 0 0 "[ . 1 . 2]" 1
793 1 42 GLN HB2 1 60 HIS HD2 . . 5.000 3.309 2.763 3.735 . 0 0 "[ . 1 . 2]" 1
794 1 42 GLN HB2 1 60 HIS HE1 . . 4.750 3.457 2.894 4.003 . 0 0 "[ . 1 . 2]" 1
795 1 42 GLN HB3 1 43 CYS H . . 4.050 3.318 3.023 3.666 . 0 0 "[ . 1 . 2]" 1
796 1 42 GLN HB3 1 60 HIS HD2 . . 5.000 4.353 3.749 4.909 . 0 0 "[ . 1 . 2]" 1
797 1 42 GLN HB3 1 60 HIS HE1 . . 4.750 3.394 2.398 4.184 . 0 0 "[ . 1 . 2]" 1
798 1 42 GLN QG 1 43 CYS H . . 4.550 3.872 3.502 4.171 . 0 0 "[ . 1 . 2]" 1
799 1 43 CYS H 1 43 CYS QB . . 3.690 2.898 2.789 3.031 . 0 0 "[ . 1 . 2]" 1
800 1 43 CYS H 1 45 TYR H . . 4.720 3.661 2.950 4.278 . 0 0 "[ . 1 . 2]" 1
801 1 43 CYS H 1 45 TYR HB3 . . 4.170 4.147 3.694 4.208 0.038 13 0 "[ . 1 . 2]" 1
802 1 43 CYS QB 1 44 SER H . . 4.130 2.152 1.975 4.045 . 0 0 "[ . 1 . 2]" 1
803 1 43 CYS QB 1 60 HIS HE1 . . 3.520 2.373 1.989 2.783 . 0 0 "[ . 1 . 2]" 1
804 1 43 CYS HB2 1 44 SER H . . 4.750 2.184 1.985 4.456 . 0 0 "[ . 1 . 2]" 1
805 1 43 CYS HB2 1 60 HIS HE1 . . 4.260 3.969 3.740 4.261 0.001 1 0 "[ . 1 . 2]" 1
806 1 43 CYS HB3 1 44 SER H . . 4.750 3.642 3.521 4.638 . 0 0 "[ . 1 . 2]" 1
807 1 43 CYS HB3 1 60 HIS HE1 . . 4.260 2.393 1.996 2.827 . 0 0 "[ . 1 . 2]" 1
808 1 45 TYR H 1 45 TYR HB2 . . 3.340 2.823 2.453 2.969 . 0 0 "[ . 1 . 2]" 1
809 1 45 TYR H 1 45 TYR HB3 . . 3.380 2.416 2.295 2.675 . 0 0 "[ . 1 . 2]" 1
810 1 45 TYR H 1 45 TYR QD . . 4.280 4.124 4.032 4.204 . 0 0 "[ . 1 . 2]" 1
811 1 45 TYR H 1 46 ALA H . . 4.560 4.465 4.373 4.573 0.013 10 0 "[ . 1 . 2]" 1
812 1 45 TYR H 1 56 HIS HE1 . . 5.500 5.306 4.920 5.501 0.001 9 0 "[ . 1 . 2]" 1
813 1 45 TYR HA 1 45 TYR QD . . 3.680 3.189 3.087 3.240 . 0 0 "[ . 1 . 2]" 1
814 1 45 TYR HA 1 46 ALA H . . 2.900 2.148 2.138 2.185 . 0 0 "[ . 1 . 2]" 1
815 1 45 TYR HA 1 46 ALA MB . . 4.320 3.950 3.839 4.034 . 0 0 "[ . 1 . 2]" 1
816 1 45 TYR HB2 1 46 ALA H . . 4.290 4.200 4.052 4.305 0.015 16 0 "[ . 1 . 2]" 1
817 1 45 TYR HB2 1 56 HIS HE1 . . 3.870 3.078 2.444 3.566 . 0 0 "[ . 1 . 2]" 1
818 1 45 TYR HB3 1 46 ALA H . . 4.540 4.289 4.101 4.417 . 0 0 "[ . 1 . 2]" 1
819 1 45 TYR HB3 1 56 HIS HE1 . . 4.160 3.621 3.158 3.852 . 0 0 "[ . 1 . 2]" 1
820 1 45 TYR QD 1 46 ALA H . . 3.990 3.550 3.169 3.823 . 0 0 "[ . 1 . 2]" 1
821 1 45 TYR QD 1 46 ALA HA . . 4.220 3.175 2.813 3.559 . 0 0 "[ . 1 . 2]" 1
822 1 45 TYR QD 1 46 ALA MB . . 4.640 4.408 4.121 4.672 0.032 19 0 "[ . 1 . 2]" 1
823 1 45 TYR QD 1 47 SER H . . 4.690 4.495 4.134 4.708 0.018 19 0 "[ . 1 . 2]" 1
824 1 45 TYR QD 1 53 LEU HA . . 4.360 3.980 3.622 4.270 . 0 0 "[ . 1 . 2]" 1
825 1 45 TYR QD 1 53 LEU MD1 . . 4.620 2.214 2.010 2.770 . 0 0 "[ . 1 . 2]" 1
826 1 45 TYR QD 1 53 LEU QD . . 3.380 2.208 2.008 2.743 . 0 0 "[ . 1 . 2]" 1
827 1 45 TYR QD 1 53 LEU MD2 . . 4.620 4.454 4.201 4.626 0.006 14 0 "[ . 1 . 2]" 1
828 1 45 TYR QD 1 56 HIS HB2 . . 4.940 4.218 4.029 4.769 . 0 0 "[ . 1 . 2]" 1
829 1 45 TYR QD 1 56 HIS HB3 . . 4.940 4.035 3.803 4.308 . 0 0 "[ . 1 . 2]" 1
830 1 45 TYR QD 1 56 HIS HD2 . . 4.170 3.267 2.598 3.844 . 0 0 "[ . 1 . 2]" 1
831 1 45 TYR QD 1 56 HIS HE1 . . 4.340 3.217 2.410 3.905 . 0 0 "[ . 1 . 2]" 1
832 1 45 TYR QE 1 47 SER H . . 4.640 4.279 3.888 4.542 . 0 0 "[ . 1 . 2]" 1
833 1 45 TYR QE 1 47 SER HB2 . . 4.190 3.091 2.197 4.196 0.006 13 0 "[ . 1 . 2]" 1
834 1 45 TYR QE 1 47 SER QB . . 3.520 2.736 2.180 3.132 . 0 0 "[ . 1 . 2]" 1
835 1 45 TYR QE 1 47 SER HB3 . . 4.190 3.635 2.683 4.200 0.010 14 0 "[ . 1 . 2]" 1
836 1 45 TYR QE 1 53 LEU H . . 4.760 4.312 3.870 4.754 . 0 0 "[ . 1 . 2]" 1
837 1 45 TYR QE 1 53 LEU HA . . 3.450 2.351 2.018 2.797 . 0 0 "[ . 1 . 2]" 1
838 1 45 TYR QE 1 53 LEU QB . . 4.100 3.382 2.726 3.928 . 0 0 "[ . 1 . 2]" 1
839 1 45 TYR QE 1 53 LEU MD1 . . 4.900 2.234 1.926 3.110 . 0 0 "[ . 1 . 2]" 1
840 1 45 TYR QE 1 53 LEU QD . . 3.500 2.227 1.924 3.055 . 0 0 "[ . 1 . 2]" 1
841 1 45 TYR QE 1 53 LEU MD2 . . 4.900 4.600 4.388 4.800 . 0 0 "[ . 1 . 2]" 1
842 1 45 TYR QE 1 56 HIS H . . 5.170 4.695 4.392 5.190 0.020 19 0 "[ . 1 . 2]" 1
843 1 45 TYR QE 1 56 HIS HB2 . . 4.170 3.166 2.918 3.764 . 0 0 "[ . 1 . 2]" 1
844 1 45 TYR QE 1 56 HIS HB3 . . 4.170 3.129 2.738 3.565 . 0 0 "[ . 1 . 2]" 1
845 1 46 ALA H 1 46 ALA MB . . 3.540 2.529 2.352 2.609 . 0 0 "[ . 1 . 2]" 1
846 1 46 ALA H 1 47 SER H . . 4.670 4.424 4.346 4.496 . 0 0 "[ . 1 . 2]" 1
847 1 46 ALA HA 1 47 SER H . . 3.370 2.285 2.195 2.475 . 0 0 "[ . 1 . 2]" 1
848 1 46 ALA HA 1 53 LEU QD . . 4.530 3.058 2.750 3.534 . 0 0 "[ . 1 . 2]" 1
849 1 46 ALA MB 1 47 SER H . . 3.410 2.706 2.270 2.938 . 0 0 "[ . 1 . 2]" 1
850 1 47 SER H 1 47 SER HB2 . . 4.100 3.116 2.542 3.967 . 0 0 "[ . 1 . 2]" 1
851 1 47 SER H 1 47 SER QB . . 3.550 2.815 2.496 3.322 . 0 0 "[ . 1 . 2]" 1
852 1 47 SER H 1 47 SER HB3 . . 4.100 3.468 2.924 3.885 . 0 0 "[ . 1 . 2]" 1
853 1 47 SER H 1 53 LEU QB . . 4.910 4.064 3.356 4.639 . 0 0 "[ . 1 . 2]" 1
854 1 47 SER H 1 53 LEU QD . . 4.420 3.361 2.813 3.910 . 0 0 "[ . 1 . 2]" 1
855 1 47 SER QB 1 49 ILE H . . 3.780 2.841 2.434 3.386 . 0 0 "[ . 1 . 2]" 1
856 1 47 SER QB 1 49 ILE HB . . 4.790 3.736 3.170 4.192 . 0 0 "[ . 1 . 2]" 1
857 1 47 SER QB 1 49 ILE QG . . 4.870 4.371 2.998 4.858 . 0 0 "[ . 1 . 2]" 1
858 1 47 SER QB 1 52 ASN QB . . 3.800 2.525 2.047 3.159 . 0 0 "[ . 1 . 2]" 1
859 1 47 SER QB 1 53 LEU H . . 4.490 3.440 2.822 4.106 . 0 0 "[ . 1 . 2]" 1
860 1 47 SER QB 1 53 LEU HA . . 5.260 3.654 2.830 4.667 . 0 0 "[ . 1 . 2]" 1
861 1 47 SER QB 1 53 LEU QB . . 4.400 3.045 2.145 3.898 . 0 0 "[ . 1 . 2]" 1
862 1 47 SER QB 1 53 LEU QD . . 4.900 3.252 2.461 4.026 . 0 0 "[ . 1 . 2]" 1
863 1 47 SER HB2 1 49 ILE H . . 4.600 3.911 2.450 4.584 . 0 0 "[ . 1 . 2]" 1
864 1 47 SER HB3 1 49 ILE H . . 4.600 3.248 2.574 4.545 . 0 0 "[ . 1 . 2]" 1
865 1 48 ALA MB 1 49 ILE H . . 3.890 2.957 2.366 3.698 . 0 0 "[ . 1 . 2]" 1
866 1 48 ALA MB 1 49 ILE HA . . 4.430 3.976 3.706 4.334 . 0 0 "[ . 1 . 2]" 1
867 1 48 ALA MB 1 49 ILE MD . . 4.180 3.775 3.096 4.197 0.017 6 0 "[ . 1 . 2]" 1
868 1 48 ALA MB 1 49 ILE HG12 . . 4.280 3.612 2.625 4.237 . 0 0 "[ . 1 . 2]" 1
869 1 48 ALA MB 1 49 ILE QG . . 3.760 2.796 2.502 2.982 . 0 0 "[ . 1 . 2]" 1
870 1 48 ALA MB 1 49 ILE HG13 . . 4.280 3.255 2.539 4.339 0.059 12 0 "[ . 1 . 2]" 1
871 1 48 ALA MB 1 49 ILE MG . . 5.080 4.848 4.727 4.957 . 0 0 "[ . 1 . 2]" 1
872 1 49 ILE H 1 49 ILE HB . . 3.590 2.674 2.487 3.176 . 0 0 "[ . 1 . 2]" 1
873 1 49 ILE H 1 49 ILE MD . . 4.470 3.682 3.150 4.226 . 0 0 "[ . 1 . 2]" 1
874 1 49 ILE H 1 49 ILE HG12 . . 3.990 3.471 2.028 4.004 0.014 7 0 "[ . 1 . 2]" 1
875 1 49 ILE H 1 49 ILE HG13 . . 3.990 2.808 1.946 3.994 0.004 15 0 "[ . 1 . 2]" 1
876 1 49 ILE H 1 49 ILE MG . . 4.370 3.846 3.768 4.032 . 0 0 "[ . 1 . 2]" 1
877 1 49 ILE HA 1 49 ILE MD . . 4.000 3.497 2.117 3.969 . 0 0 "[ . 1 . 2]" 1
878 1 49 ILE HA 1 49 ILE QG . . 3.740 2.599 2.442 2.897 . 0 0 "[ . 1 . 2]" 1
879 1 49 ILE HA 1 49 ILE MG . . 3.480 2.284 2.053 2.413 . 0 0 "[ . 1 . 2]" 1
880 1 49 ILE HB 1 49 ILE MD . . 3.530 2.528 2.222 3.213 . 0 0 "[ . 1 . 2]" 1
881 1 49 ILE HB 1 52 ASN H . . 4.040 2.820 2.304 3.118 . 0 0 "[ . 1 . 2]" 1
882 1 49 ILE HB 1 52 ASN HB2 . . 4.240 2.296 1.994 3.179 . 0 0 "[ . 1 . 2]" 1
883 1 49 ILE HB 1 52 ASN QB . . 3.720 2.175 1.951 2.763 . 0 0 "[ . 1 . 2]" 1
884 1 49 ILE HB 1 52 ASN HB3 . . 4.240 3.151 2.145 3.810 . 0 0 "[ . 1 . 2]" 1
885 1 49 ILE HB 1 53 LEU H . . 4.770 4.166 3.355 4.607 . 0 0 "[ . 1 . 2]" 1
886 1 49 ILE MD 1 49 ILE MG . . 3.000 2.082 1.865 2.281 . 0 0 "[ . 1 . 2]" 1
887 1 49 ILE MD 1 50 LYS H . . 5.200 4.613 3.493 5.182 . 0 0 "[ . 1 . 2]" 1
888 1 49 ILE MD 1 51 ALA MB . . 4.560 4.356 3.943 4.568 0.008 6 0 "[ . 1 . 2]" 1
889 1 49 ILE MD 1 52 ASN H . . 4.700 4.128 3.471 4.734 0.034 2 0 "[ . 1 . 2]" 1
890 1 49 ILE HG12 1 49 ILE MG . . 3.430 2.510 2.155 3.200 . 0 0 "[ . 1 . 2]" 1
891 1 49 ILE HG13 1 49 ILE MG . . 3.430 2.986 2.378 3.201 . 0 0 "[ . 1 . 2]" 1
892 1 49 ILE MG 1 51 ALA H . . 4.340 2.193 1.873 2.627 . 0 0 "[ . 1 . 2]" 1
893 1 49 ILE MG 1 51 ALA HA . . 4.520 4.148 3.777 4.487 . 0 0 "[ . 1 . 2]" 1
894 1 49 ILE MG 1 51 ALA MB . . 3.040 2.379 1.939 2.808 . 0 0 "[ . 1 . 2]" 1
895 1 49 ILE MG 1 52 ASN H . . 3.240 2.108 1.870 2.582 . 0 0 "[ . 1 . 2]" 1
896 1 49 ILE MG 1 52 ASN HB2 . . 4.630 3.173 2.734 3.665 . 0 0 "[ . 1 . 2]" 1
897 1 49 ILE MG 1 52 ASN QB . . 3.960 3.046 2.653 3.380 . 0 0 "[ . 1 . 2]" 1
898 1 49 ILE MG 1 52 ASN HB3 . . 4.630 4.103 3.433 4.614 . 0 0 "[ . 1 . 2]" 1
899 1 49 ILE MG 1 53 LEU H . . 4.350 4.175 3.915 4.353 0.003 20 0 "[ . 1 . 2]" 1
900 1 50 LYS H 1 50 LYS QG . . 4.440 3.067 1.891 4.009 . 0 0 "[ . 1 . 2]" 1
901 1 50 LYS HA 1 50 LYS QD . . 4.490 3.440 1.979 4.379 . 0 0 "[ . 1 . 2]" 1
902 1 50 LYS HA 1 50 LYS HG2 . . 4.030 2.851 2.163 3.891 . 0 0 "[ . 1 . 2]" 1
903 1 50 LYS HA 1 50 LYS QG . . 3.420 2.415 2.126 3.325 . 0 0 "[ . 1 . 2]" 1
904 1 50 LYS HA 1 50 LYS HG3 . . 4.030 2.977 2.202 3.740 . 0 0 "[ . 1 . 2]" 1
905 1 50 LYS HA 1 53 LEU H . . 4.040 3.710 3.182 4.048 0.008 14 0 "[ . 1 . 2]" 1
906 1 50 LYS HA 1 53 LEU HB2 . . 4.270 3.827 3.346 4.274 0.004 12 0 "[ . 1 . 2]" 1
907 1 50 LYS HA 1 53 LEU QB . . 3.700 3.100 2.437 3.576 . 0 0 "[ . 1 . 2]" 1
908 1 50 LYS HA 1 53 LEU HB3 . . 4.270 3.310 2.492 3.875 . 0 0 "[ . 1 . 2]" 1
909 1 50 LYS HA 1 53 LEU QD . . 4.290 3.649 2.965 4.100 . 0 0 "[ . 1 . 2]" 1
910 1 51 ALA HA 1 53 LEU H . . 4.780 4.445 4.170 4.792 0.012 7 0 "[ . 1 . 2]" 1
911 1 51 ALA HA 1 54 ASN H . . 4.350 3.464 3.193 3.726 . 0 0 "[ . 1 . 2]" 1
912 1 51 ALA HA 1 54 ASN HB2 . . 4.040 3.054 2.233 3.729 . 0 0 "[ . 1 . 2]" 1
913 1 51 ALA HA 1 54 ASN QB . . 3.400 2.607 2.219 2.967 . 0 0 "[ . 1 . 2]" 1
914 1 51 ALA HA 1 54 ASN HB3 . . 4.040 3.299 2.393 4.035 . 0 0 "[ . 1 . 2]" 1
915 1 51 ALA HA 1 54 ASN QD . . 4.430 3.468 1.947 4.435 0.005 19 0 "[ . 1 . 2]" 1
916 1 51 ALA HA 1 55 VAL H . . 4.740 4.345 3.952 4.703 . 0 0 "[ . 1 . 2]" 1
917 1 51 ALA HA 1 55 VAL QG . . 4.520 4.113 3.706 4.504 . 0 0 "[ . 1 . 2]" 1
918 1 51 ALA MB 1 52 ASN H . . 3.780 2.400 1.950 2.668 . 0 0 "[ . 1 . 2]" 1
919 1 51 ALA MB 1 52 ASN HA . . 4.600 3.718 3.648 3.841 . 0 0 "[ . 1 . 2]" 1
920 1 51 ALA MB 1 53 LEU H . . 5.150 4.534 4.414 4.899 . 0 0 "[ . 1 . 2]" 1
921 1 51 ALA MB 1 54 ASN QB . . 4.110 3.799 3.494 4.111 0.001 20 0 "[ . 1 . 2]" 1
922 1 51 ALA MB 1 55 VAL H . . 5.480 4.642 4.181 5.120 . 0 0 "[ . 1 . 2]" 1
923 1 51 ALA MB 1 55 VAL QG . . 4.240 3.456 2.890 4.026 . 0 0 "[ . 1 . 2]" 1
924 1 52 ASN H 1 52 ASN HB2 . . 3.760 2.333 2.183 2.609 . 0 0 "[ . 1 . 2]" 1
925 1 52 ASN H 1 52 ASN QB . . 3.290 2.244 2.136 2.476 . 0 0 "[ . 1 . 2]" 1
926 1 52 ASN H 1 52 ASN HB3 . . 3.760 3.135 2.502 3.599 . 0 0 "[ . 1 . 2]" 1
927 1 52 ASN H 1 53 LEU H . . 3.420 2.921 2.611 3.119 . 0 0 "[ . 1 . 2]" 1
928 1 52 ASN H 1 54 ASN H . . 4.710 4.407 4.049 4.654 . 0 0 "[ . 1 . 2]" 1
929 1 52 ASN H 1 55 VAL H . . 5.160 4.972 4.696 5.160 0.000 20 0 "[ . 1 . 2]" 1
930 1 52 ASN HA 1 55 VAL H . . 4.020 3.716 3.459 3.974 . 0 0 "[ . 1 . 2]" 1
931 1 52 ASN HA 1 55 VAL HB . . 4.430 3.233 2.988 3.524 . 0 0 "[ . 1 . 2]" 1
932 1 52 ASN HA 1 55 VAL MG1 . . 4.680 4.475 4.241 4.667 . 0 0 "[ . 1 . 2]" 1
933 1 52 ASN HA 1 55 VAL QG . . 3.380 2.997 2.465 3.361 . 0 0 "[ . 1 . 2]" 1
934 1 52 ASN HA 1 55 VAL MG2 . . 4.680 3.051 2.478 3.461 . 0 0 "[ . 1 . 2]" 1
935 1 52 ASN HA 1 56 HIS H . . 4.790 4.509 3.991 4.797 0.007 3 0 "[ . 1 . 2]" 1
936 1 52 ASN QB 1 55 VAL QG . . 5.280 4.543 4.249 4.815 . 0 0 "[ . 1 . 2]" 1
937 1 52 ASN HB2 1 53 LEU H . . 4.230 3.217 2.456 3.902 . 0 0 "[ . 1 . 2]" 1
938 1 52 ASN HB3 1 53 LEU H . . 4.230 2.812 2.317 3.511 . 0 0 "[ . 1 . 2]" 1
939 1 53 LEU H 1 53 LEU HB2 . . 3.620 2.470 2.290 2.724 . 0 0 "[ . 1 . 2]" 1
940 1 53 LEU H 1 53 LEU HB3 . . 3.620 2.551 2.305 2.738 . 0 0 "[ . 1 . 2]" 1
941 1 53 LEU H 1 53 LEU MD1 . . 4.340 3.985 3.739 4.250 . 0 0 "[ . 1 . 2]" 1
942 1 53 LEU H 1 53 LEU QD . . 3.750 3.629 3.496 3.718 . 0 0 "[ . 1 . 2]" 1
943 1 53 LEU H 1 53 LEU MD2 . . 4.340 4.194 4.038 4.272 . 0 0 "[ . 1 . 2]" 1
944 1 53 LEU H 1 53 LEU HG . . 4.670 4.492 4.338 4.559 . 0 0 "[ . 1 . 2]" 1
945 1 53 LEU H 1 54 ASN H . . 3.550 2.768 2.559 2.983 . 0 0 "[ . 1 . 2]" 1
946 1 53 LEU H 1 54 ASN QB . . 4.920 4.468 4.339 4.659 . 0 0 "[ . 1 . 2]" 1
947 1 53 LEU HA 1 53 LEU MD1 . . 4.090 2.259 1.976 3.506 . 0 0 "[ . 1 . 2]" 1
948 1 53 LEU HA 1 53 LEU QD . . 3.080 2.226 1.970 3.084 0.004 17 0 "[ . 1 . 2]" 1
949 1 53 LEU HA 1 53 LEU MD2 . . 4.090 3.869 3.422 3.999 . 0 0 "[ . 1 . 2]" 1
950 1 53 LEU HA 1 56 HIS H . . 3.920 3.334 3.161 3.723 . 0 0 "[ . 1 . 2]" 1
951 1 53 LEU HA 1 56 HIS HA . . 5.330 5.235 5.012 5.340 0.010 11 0 "[ . 1 . 2]" 1
952 1 53 LEU HA 1 56 HIS HB2 . . 3.990 3.644 3.212 3.907 . 0 0 "[ . 1 . 2]" 1
953 1 53 LEU HA 1 56 HIS HB3 . . 3.990 2.461 2.156 2.608 . 0 0 "[ . 1 . 2]" 1
954 1 53 LEU HA 1 56 HIS HD2 . . 4.680 4.081 3.434 4.642 . 0 0 "[ . 1 . 2]" 1
955 1 53 LEU HA 1 57 LEU H . . 4.320 4.110 3.694 4.323 0.003 7 0 "[ . 1 . 2]" 1
956 1 53 LEU HA 1 57 LEU HG . . 4.830 4.355 3.888 4.782 . 0 0 "[ . 1 . 2]" 1
957 1 53 LEU QB 1 53 LEU QD . . 2.830 1.892 1.793 1.941 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU QB 1 54 ASN H . . 3.690 2.395 2.194 2.742 . 0 0 "[ . 1 . 2]" 1
959 1 53 LEU QB 1 57 LEU MD1 . . 4.640 3.956 3.211 4.482 . 0 0 "[ . 1 . 2]" 1
960 1 53 LEU HB2 1 54 ASN H . . 4.370 3.758 3.535 4.026 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU HB3 1 54 ASN H . . 4.370 2.424 2.212 2.791 . 0 0 "[ . 1 . 2]" 1
962 1 53 LEU QD 1 54 ASN H . . 5.020 3.737 2.902 4.016 . 0 0 "[ . 1 . 2]" 1
963 1 53 LEU QD 1 56 HIS QB . . 3.800 3.019 2.677 3.819 0.019 17 0 "[ . 1 . 2]" 1
964 1 53 LEU QD 1 56 HIS HD2 . . 3.490 2.548 2.201 3.471 . 0 0 "[ . 1 . 2]" 1
965 1 53 LEU QD 1 57 LEU H . . 4.120 3.900 3.625 4.126 0.006 3 0 "[ . 1 . 2]" 1
966 1 53 LEU QD 1 57 LEU HG . . 3.510 2.974 2.356 3.449 . 0 0 "[ . 1 . 2]" 1
967 1 53 LEU QD 1 60 HIS HD2 . . 5.440 5.240 5.053 5.434 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU MD1 1 57 LEU HG . . 4.590 3.170 2.639 4.331 . 0 0 "[ . 1 . 2]" 1
969 1 53 LEU MD2 1 57 LEU HG . . 4.590 4.013 2.367 4.519 . 0 0 "[ . 1 . 2]" 1
970 1 53 LEU HG 1 54 ASN HA . . 4.820 3.836 3.315 4.806 . 0 0 "[ . 1 . 2]" 1
971 1 53 LEU HG 1 57 LEU MD1 . . 3.590 2.697 2.048 3.622 0.032 17 0 "[ . 1 . 2]" 1
972 1 53 LEU HG 1 57 LEU MD2 . . 4.230 3.558 3.063 4.095 . 0 0 "[ . 1 . 2]" 1
973 1 53 LEU HG 1 57 LEU HG . . 3.980 2.796 2.154 3.292 . 0 0 "[ . 1 . 2]" 1
974 1 54 ASN H 1 54 ASN HB2 . . 3.790 2.444 2.190 2.844 . 0 0 "[ . 1 . 2]" 1
975 1 54 ASN H 1 54 ASN QB . . 3.290 2.252 2.146 2.451 . 0 0 "[ . 1 . 2]" 1
976 1 54 ASN H 1 54 ASN HB3 . . 3.790 2.926 2.256 3.606 . 0 0 "[ . 1 . 2]" 1
977 1 54 ASN H 1 55 VAL H . . 3.900 2.845 2.589 3.017 . 0 0 "[ . 1 . 2]" 1
978 1 54 ASN H 1 57 LEU MD1 . . 5.420 4.070 3.568 4.458 . 0 0 "[ . 1 . 2]" 1
979 1 54 ASN HA 1 57 LEU H . . 4.530 3.700 3.276 4.088 . 0 0 "[ . 1 . 2]" 1
980 1 54 ASN HA 1 57 LEU HB2 . . 4.050 3.167 2.590 3.552 . 0 0 "[ . 1 . 2]" 1
981 1 54 ASN HA 1 57 LEU HB3 . . 4.900 4.683 4.189 4.912 0.012 14 0 "[ . 1 . 2]" 1
982 1 54 ASN HA 1 57 LEU MD1 . . 3.400 2.192 1.967 2.484 . 0 0 "[ . 1 . 2]" 1
983 1 54 ASN HA 1 57 LEU HG . . 4.300 3.557 3.230 3.968 . 0 0 "[ . 1 . 2]" 1
984 1 54 ASN QB 1 55 VAL H . . 3.450 2.580 2.306 2.924 . 0 0 "[ . 1 . 2]" 1
985 1 54 ASN QB 1 55 VAL QG . . 4.030 3.120 2.924 3.374 . 0 0 "[ . 1 . 2]" 1
986 1 54 ASN HB2 1 55 VAL H . . 4.060 3.473 2.583 4.067 0.007 6 0 "[ . 1 . 2]" 1
987 1 54 ASN HB3 1 55 VAL H . . 4.060 2.871 2.327 3.594 . 0 0 "[ . 1 . 2]" 1
988 1 55 VAL H 1 55 VAL HB . . 3.230 2.529 2.449 2.701 . 0 0 "[ . 1 . 2]" 1
989 1 55 VAL H 1 55 VAL MG1 . . 3.830 3.764 3.754 3.780 . 0 0 "[ . 1 . 2]" 1
990 1 55 VAL H 1 55 VAL QG . . 2.810 2.223 2.025 2.360 . 0 0 "[ . 1 . 2]" 1
991 1 55 VAL H 1 55 VAL MG2 . . 3.830 2.240 2.033 2.385 . 0 0 "[ . 1 . 2]" 1
992 1 55 VAL H 1 56 HIS H . . 3.530 2.616 2.413 2.879 . 0 0 "[ . 1 . 2]" 1
993 1 55 VAL H 1 56 HIS QB . . 5.230 4.302 4.131 4.479 . 0 0 "[ . 1 . 2]" 1
994 1 55 VAL H 1 57 LEU H . . 4.730 4.276 3.968 4.483 . 0 0 "[ . 1 . 2]" 1
995 1 55 VAL H 1 57 LEU HB2 . . 5.370 5.262 5.064 5.379 0.009 17 0 "[ . 1 . 2]" 1
996 1 55 VAL HA 1 55 VAL MG1 . . 3.330 2.421 2.334 2.462 . 0 0 "[ . 1 . 2]" 1
997 1 55 VAL HA 1 55 VAL MG2 . . 3.330 2.346 2.261 2.442 . 0 0 "[ . 1 . 2]" 1
998 1 55 VAL HA 1 58 ARG H . . 4.480 3.720 3.438 4.161 . 0 0 "[ . 1 . 2]" 1
999 1 55 VAL HA 1 58 ARG QD . . 3.790 2.241 1.925 3.450 . 0 0 "[ . 1 . 2]" 1
1000 1 55 VAL HA 1 58 ARG QG . . 3.910 3.231 2.413 3.921 0.011 14 0 "[ . 1 . 2]" 1
1001 1 55 VAL HB 1 56 HIS H . . 4.290 2.698 2.134 3.150 . 0 0 "[ . 1 . 2]" 1
1002 1 55 VAL HB 1 56 HIS HB2 . . 5.500 4.596 4.428 4.729 . 0 0 "[ . 1 . 2]" 1
1003 1 55 VAL HB 1 56 HIS HB3 . . 5.500 4.719 4.526 4.951 . 0 0 "[ . 1 . 2]" 1
1004 1 55 VAL HB 1 58 ARG QD . . 4.830 4.595 3.958 4.828 . 0 0 "[ . 1 . 2]" 1
1005 1 55 VAL QG 1 56 HIS H . . 3.530 3.251 2.930 3.496 . 0 0 "[ . 1 . 2]" 1
1006 1 55 VAL QG 1 56 HIS HA . . 4.150 3.467 3.221 3.727 . 0 0 "[ . 1 . 2]" 1
1007 1 55 VAL QG 1 58 ARG QD . . 3.750 2.597 2.001 3.329 . 0 0 "[ . 1 . 2]" 1
1008 1 55 VAL QG 1 59 LYS QE . . 4.520 3.776 3.086 4.534 0.014 9 0 "[ . 1 . 2]" 1
1009 1 55 VAL MG1 1 56 HIS H . . 4.050 3.510 3.054 3.820 . 0 0 "[ . 1 . 2]" 1
1010 1 55 VAL MG1 1 58 ARG QD . . 4.560 2.726 2.008 3.761 . 0 0 "[ . 1 . 2]" 1
1011 1 55 VAL MG2 1 56 HIS H . . 4.050 3.858 3.635 4.051 0.001 6 0 "[ . 1 . 2]" 1
1012 1 55 VAL MG2 1 58 ARG QD . . 4.560 3.515 3.046 3.892 . 0 0 "[ . 1 . 2]" 1
1013 1 56 HIS H 1 56 HIS HB2 . . 3.450 2.870 2.679 3.091 . 0 0 "[ . 1 . 2]" 1
1014 1 56 HIS H 1 56 HIS HB3 . . 3.450 2.279 2.216 2.434 . 0 0 "[ . 1 . 2]" 1
1015 1 56 HIS H 1 57 LEU H . . 3.710 2.699 2.303 3.067 . 0 0 "[ . 1 . 2]" 1
1016 1 56 HIS HA 1 59 LYS H . . 4.230 3.585 3.160 3.793 . 0 0 "[ . 1 . 2]" 1
1017 1 56 HIS HA 1 59 LYS QB . . 4.620 3.684 2.433 4.194 . 0 0 "[ . 1 . 2]" 1
1018 1 56 HIS HA 1 59 LYS QD . . 4.880 3.276 2.039 4.314 . 0 0 "[ . 1 . 2]" 1
1019 1 56 HIS HA 1 59 LYS QG . . 4.210 2.663 2.110 4.213 0.003 9 0 "[ . 1 . 2]" 1
1020 1 56 HIS HA 1 60 HIS H . . 5.500 5.416 4.856 5.508 0.008 14 0 "[ . 1 . 2]" 1
1021 1 56 HIS QB 1 57 LEU H . . 3.670 2.631 2.466 2.909 . 0 0 "[ . 1 . 2]" 1
1022 1 56 HIS HB2 1 57 LEU H . . 4.230 3.996 3.888 4.185 . 0 0 "[ . 1 . 2]" 1
1023 1 56 HIS HB2 1 57 LEU HG . . 5.500 5.489 5.461 5.536 0.036 14 0 "[ . 1 . 2]" 1
1024 1 56 HIS HB3 1 57 LEU H . . 4.230 2.669 2.494 2.968 . 0 0 "[ . 1 . 2]" 1
1025 1 56 HIS HB3 1 57 LEU HG . . 5.500 3.834 3.782 3.898 . 0 0 "[ . 1 . 2]" 1
1026 1 56 HIS HD2 1 57 LEU H . . 4.510 3.273 2.855 3.881 . 0 0 "[ . 1 . 2]" 1
1027 1 56 HIS HD2 1 57 LEU HA . . 3.810 3.286 2.837 3.824 0.014 9 0 "[ . 1 . 2]" 1
1028 1 56 HIS HD2 1 57 LEU MD2 . . 3.890 3.052 2.752 3.640 . 0 0 "[ . 1 . 2]" 1
1029 1 56 HIS HD2 1 57 LEU HG . . 4.340 3.049 2.732 3.532 . 0 0 "[ . 1 . 2]" 1
1030 1 56 HIS HD2 1 60 HIS HD2 . . 4.170 3.663 2.989 4.096 . 0 0 "[ . 1 . 2]" 1
1031 1 56 HIS HE1 1 59 LYS QB . . 4.490 4.350 4.079 4.519 0.029 9 0 "[ . 1 . 2]" 1
1032 1 56 HIS HE1 1 59 LYS QD . . 4.600 4.307 3.823 4.599 . 0 0 "[ . 1 . 2]" 1
1033 1 56 HIS HE1 1 59 LYS QG . . 5.500 5.277 3.656 5.502 0.002 19 0 "[ . 1 . 2]" 1
1034 1 57 LEU H 1 57 LEU HB2 . . 3.390 2.468 2.386 2.559 . 0 0 "[ . 1 . 2]" 1
1035 1 57 LEU H 1 57 LEU HB3 . . 3.750 3.586 3.572 3.607 . 0 0 "[ . 1 . 2]" 1
1036 1 57 LEU H 1 57 LEU MD1 . . 3.740 3.422 3.325 3.501 . 0 0 "[ . 1 . 2]" 1
1037 1 57 LEU H 1 57 LEU MD2 . . 4.080 3.588 3.380 3.733 . 0 0 "[ . 1 . 2]" 1
1038 1 57 LEU H 1 57 LEU HG . . 3.500 2.294 2.164 2.455 . 0 0 "[ . 1 . 2]" 1
1039 1 57 LEU H 1 58 ARG H . . 3.650 2.858 2.657 2.952 . 0 0 "[ . 1 . 2]" 1
1040 1 57 LEU H 1 58 ARG QB . . 5.050 4.778 4.585 5.053 0.003 13 0 "[ . 1 . 2]" 1
1041 1 57 LEU HA 1 57 LEU MD1 . . 4.480 3.889 3.874 3.901 . 0 0 "[ . 1 . 2]" 1
1042 1 57 LEU HA 1 57 LEU MD2 . . 3.150 2.164 2.011 2.337 . 0 0 "[ . 1 . 2]" 1
1043 1 57 LEU HA 1 57 LEU HG . . 4.070 2.881 2.782 2.986 . 0 0 "[ . 1 . 2]" 1
1044 1 57 LEU HA 1 59 LYS H . . 4.830 3.991 3.543 4.366 . 0 0 "[ . 1 . 2]" 1
1045 1 57 LEU HA 1 60 HIS H . . 4.270 3.394 3.272 3.576 . 0 0 "[ . 1 . 2]" 1
1046 1 57 LEU HA 1 60 HIS QB . . 4.370 3.319 3.071 3.500 . 0 0 "[ . 1 . 2]" 1
1047 1 57 LEU HA 1 60 HIS HD2 . . 3.400 2.054 1.995 2.161 . 0 0 "[ . 1 . 2]" 1
1048 1 57 LEU HB2 1 57 LEU MD1 . . 3.080 2.175 2.039 2.305 . 0 0 "[ . 1 . 2]" 1
1049 1 57 LEU HB2 1 57 LEU MD2 . . 3.550 3.168 3.156 3.186 . 0 0 "[ . 1 . 2]" 1
1050 1 57 LEU HB2 1 58 ARG H . . 4.250 2.576 2.345 2.844 . 0 0 "[ . 1 . 2]" 1
1051 1 57 LEU HB2 1 58 ARG QB . . 5.030 4.602 4.165 4.980 . 0 0 "[ . 1 . 2]" 1
1052 1 57 LEU HB2 1 60 HIS HD2 . . 5.040 4.973 4.869 5.040 . 0 0 "[ . 1 . 2]" 1
1053 1 57 LEU HB3 1 57 LEU MD1 . . 3.160 2.510 2.415 2.605 . 0 0 "[ . 1 . 2]" 1
1054 1 57 LEU HB3 1 58 ARG H . . 4.360 3.504 3.243 3.745 . 0 0 "[ . 1 . 2]" 1
1055 1 57 LEU HB3 1 58 ARG HA . . 4.880 4.299 4.182 4.400 . 0 0 "[ . 1 . 2]" 1
1056 1 57 LEU HB3 1 60 HIS HD2 . . 5.260 4.035 3.771 4.324 . 0 0 "[ . 1 . 2]" 1
1057 1 57 LEU MD1 1 58 ARG H . . 4.540 4.353 4.158 4.568 0.028 9 0 "[ . 1 . 2]" 1
1058 1 57 LEU MD1 1 60 HIS HD2 . . 5.180 5.095 4.893 5.190 0.010 14 0 "[ . 1 . 2]" 1
1059 1 57 LEU MD2 1 60 HIS H . . 5.140 4.800 4.656 5.039 . 0 0 "[ . 1 . 2]" 1
1060 1 57 LEU MD2 1 60 HIS HB2 . . 4.970 3.847 3.616 3.999 . 0 0 "[ . 1 . 2]" 1
1061 1 57 LEU MD2 1 60 HIS QB . . 4.110 3.712 3.501 3.844 . 0 0 "[ . 1 . 2]" 1
1062 1 57 LEU MD2 1 60 HIS HB3 . . 4.970 4.889 4.604 4.982 0.012 9 0 "[ . 1 . 2]" 1
1063 1 57 LEU MD2 1 60 HIS HD2 . . 3.510 2.583 2.302 2.755 . 0 0 "[ . 1 . 2]" 1
1064 1 57 LEU HG 1 58 ARG H . . 4.760 4.464 4.398 4.615 . 0 0 "[ . 1 . 2]" 1
1065 1 57 LEU HG 1 60 HIS HD2 . . 4.750 4.372 4.121 4.599 . 0 0 "[ . 1 . 2]" 1
1066 1 58 ARG H 1 58 ARG HB2 . . 3.640 2.790 2.267 3.600 . 0 0 "[ . 1 . 2]" 1
1067 1 58 ARG H 1 58 ARG QB . . 3.050 2.384 2.170 2.577 . 0 0 "[ . 1 . 2]" 1
1068 1 58 ARG H 1 58 ARG HB3 . . 3.640 3.205 2.192 3.601 . 0 0 "[ . 1 . 2]" 1
1069 1 58 ARG H 1 58 ARG QD . . 4.140 3.358 1.917 4.053 . 0 0 "[ . 1 . 2]" 1
1070 1 58 ARG H 1 58 ARG HG2 . . 4.070 3.329 1.989 4.065 . 0 0 "[ . 1 . 2]" 1
1071 1 58 ARG H 1 58 ARG QG . . 3.460 2.469 1.971 3.423 . 0 0 "[ . 1 . 2]" 1
1072 1 58 ARG H 1 58 ARG HG3 . . 4.070 2.895 2.005 4.046 . 0 0 "[ . 1 . 2]" 1
1073 1 58 ARG H 1 59 LYS H . . 3.430 2.834 2.470 3.000 . 0 0 "[ . 1 . 2]" 1
1074 1 58 ARG H 1 59 LYS QB . . 5.070 4.836 4.163 5.005 . 0 0 "[ . 1 . 2]" 1
1075 1 58 ARG HA 1 58 ARG QD . . 4.440 4.017 2.640 4.470 0.030 13 0 "[ . 1 . 2]" 1
1076 1 58 ARG HA 1 58 ARG QG . . 3.660 2.675 2.199 3.335 . 0 0 "[ . 1 . 2]" 1
1077 1 58 ARG HA 1 60 HIS H . . 4.750 4.280 3.828 4.496 . 0 0 "[ . 1 . 2]" 1
1078 1 58 ARG HA 1 61 THR MG . . 4.310 3.540 2.279 4.299 . 0 0 "[ . 1 . 2]" 1
1079 1 58 ARG QB 1 58 ARG QD . . 3.330 2.182 2.101 2.329 . 0 0 "[ . 1 . 2]" 1
1080 1 58 ARG QB 1 61 THR MG . . 4.670 4.084 3.359 4.672 0.002 6 0 "[ . 1 . 2]" 1
1081 1 58 ARG HB2 1 58 ARG QD . . 3.900 2.422 2.144 2.993 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ARG HB2 1 59 LYS H . . 4.300 3.133 2.393 4.252 . 0 0 "[ . 1 . 2]" 1
1083 1 58 ARG HB3 1 58 ARG QD . . 3.900 2.728 2.164 3.292 . 0 0 "[ . 1 . 2]" 1
1084 1 58 ARG HB3 1 59 LYS H . . 4.300 3.695 3.287 4.145 . 0 0 "[ . 1 . 2]" 1
1085 1 59 LYS H 1 59 LYS QB . . 3.170 2.456 2.115 2.626 . 0 0 "[ . 1 . 2]" 1
1086 1 59 LYS H 1 59 LYS QD . . 4.750 3.903 2.003 4.571 . 0 0 "[ . 1 . 2]" 1
1087 1 59 LYS H 1 59 LYS QG . . 3.640 2.403 2.032 3.738 0.098 9 0 "[ . 1 . 2]" 1
1088 1 59 LYS H 1 60 HIS H . . 3.470 2.745 2.489 2.950 . 0 0 "[ . 1 . 2]" 1
1089 1 59 LYS HA 1 59 LYS QD . . 4.280 3.756 3.132 4.293 0.013 9 0 "[ . 1 . 2]" 1
1090 1 59 LYS HA 1 59 LYS QG . . 3.450 2.379 2.170 2.753 . 0 0 "[ . 1 . 2]" 1
1091 1 59 LYS HA 1 61 THR MG . . 4.600 3.869 3.224 4.585 . 0 0 "[ . 1 . 2]" 1
1092 1 59 LYS QB 1 60 HIS H . . 3.950 2.558 2.370 3.153 . 0 0 "[ . 1 . 2]" 1
1093 1 59 LYS QE 1 59 LYS QG . . 3.460 2.200 2.055 2.765 . 0 0 "[ . 1 . 2]" 1
1094 1 59 LYS QG 1 60 HIS H . . 4.590 3.998 3.409 4.577 . 0 0 "[ . 1 . 2]" 1
1095 1 60 HIS H 1 60 HIS HB2 . . 3.740 2.357 2.175 2.441 . 0 0 "[ . 1 . 2]" 1
1096 1 60 HIS H 1 60 HIS QB . . 3.230 2.325 2.154 2.402 . 0 0 "[ . 1 . 2]" 1
1097 1 60 HIS H 1 60 HIS HB3 . . 3.740 3.570 3.487 3.592 . 0 0 "[ . 1 . 2]" 1
1098 1 60 HIS H 1 60 HIS HD2 . . 4.210 3.258 2.944 3.570 . 0 0 "[ . 1 . 2]" 1
1099 1 60 HIS H 1 61 THR H . . 4.780 3.720 2.880 4.259 . 0 0 "[ . 1 . 2]" 1
1100 1 60 HIS H 1 61 THR MG . . 4.440 4.111 3.768 4.439 . 0 0 "[ . 1 . 2]" 1
1101 1 60 HIS QB 1 60 HIS HD2 . . 3.460 2.640 2.625 2.699 . 0 0 "[ . 1 . 2]" 1
1102 1 60 HIS QB 1 61 THR MG . . 4.810 4.105 3.459 4.663 . 0 0 "[ . 1 . 2]" 1
1103 1 60 HIS HB2 1 61 THR MG . . 5.500 4.452 3.636 5.106 . 0 0 "[ . 1 . 2]" 1
1104 1 60 HIS HB3 1 61 THR MG . . 5.500 4.844 4.241 5.387 . 0 0 "[ . 1 . 2]" 1
1105 1 61 THR H 1 61 THR MG . . 4.790 2.733 1.878 3.351 . 0 0 "[ . 1 . 2]" 1
1106 1 61 THR HA 1 61 THR MG . . 3.320 2.696 2.147 3.207 . 0 0 "[ . 1 . 2]" 1
1107 1 62 GLY QA 1 63 GLU QB . . 4.710 3.878 3.567 4.384 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU H 1 63 GLU QB . . 3.670 2.596 2.201 3.219 . 0 0 "[ . 1 . 2]" 1
1109 1 63 GLU H 1 63 GLU HG2 . . 4.860 4.416 1.989 4.862 0.002 4 0 "[ . 1 . 2]" 1
1110 1 63 GLU H 1 63 GLU HG3 . . 4.860 4.270 3.326 4.832 . 0 0 "[ . 1 . 2]" 1
1111 1 63 GLU H 1 64 LYS H . . 4.420 4.348 4.099 4.434 0.014 7 0 "[ . 1 . 2]" 1
1112 1 63 GLU HA 1 63 GLU HG2 . . 4.020 3.050 2.453 3.844 . 0 0 "[ . 1 . 2]" 1
1113 1 63 GLU HA 1 63 GLU QG . . 3.520 2.481 2.186 3.377 . 0 0 "[ . 1 . 2]" 1
1114 1 63 GLU HA 1 63 GLU HG3 . . 4.020 2.745 2.209 4.184 0.164 15 0 "[ . 1 . 2]" 1
1115 1 63 GLU HA 1 64 LYS H . . 2.880 2.248 2.138 2.605 . 0 0 "[ . 1 . 2]" 1
1116 1 63 GLU HA 1 64 LYS HA . . 4.440 4.388 4.305 4.433 . 0 0 "[ . 1 . 2]" 1
1117 1 63 GLU HA 1 64 LYS QB . . 4.430 4.250 4.075 4.396 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLU QB 1 64 LYS H . . 3.920 3.226 2.021 3.882 . 0 0 "[ . 1 . 2]" 1
1119 1 63 GLU QB 1 65 PHE QE . . 4.730 4.250 2.699 4.632 . 0 0 "[ . 1 . 2]" 1
1120 1 63 GLU QB 1 65 PHE HZ . . 5.300 4.490 3.581 5.201 . 0 0 "[ . 1 . 2]" 1
1121 1 63 GLU HG2 1 64 LYS H . . 4.620 3.654 1.963 4.531 . 0 0 "[ . 1 . 2]" 1
1122 1 63 GLU HG3 1 64 LYS H . . 4.620 3.776 2.880 4.612 . 0 0 "[ . 1 . 2]" 1
1123 1 64 LYS H 1 64 LYS QB . . 3.360 2.398 2.136 3.099 . 0 0 "[ . 1 . 2]" 1
1124 1 64 LYS H 1 64 LYS HG2 . . 4.290 3.809 2.051 4.302 0.012 14 0 "[ . 1 . 2]" 1
1125 1 64 LYS H 1 64 LYS HG3 . . 4.290 3.121 2.136 4.368 0.078 16 0 "[ . 1 . 2]" 1
1126 1 64 LYS H 1 65 PHE H . . 4.630 4.486 4.165 4.631 0.001 2 0 "[ . 1 . 2]" 1
1127 1 64 LYS HA 1 64 LYS QD . . 4.310 4.005 3.815 4.306 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LYS HA 1 64 LYS QE . . 4.620 4.327 3.512 4.677 0.057 1 0 "[ . 1 . 2]" 1
1129 1 64 LYS HA 1 65 PHE H . . 2.940 2.254 2.140 2.433 . 0 0 "[ . 1 . 2]" 1
1130 1 64 LYS HA 1 65 PHE HB2 . . 4.960 4.648 4.470 4.754 . 0 0 "[ . 1 . 2]" 1
1131 1 64 LYS HA 1 65 PHE QD . . 4.460 3.462 2.933 4.022 . 0 0 "[ . 1 . 2]" 1
1132 1 64 LYS HA 1 74 CYS H . . 4.980 4.483 3.686 4.897 . 0 0 "[ . 1 . 2]" 1
1133 1 64 LYS HA 1 75 LEU QD . . 4.000 3.431 2.531 3.994 . 0 0 "[ . 1 . 2]" 1
1134 1 64 LYS QB 1 64 LYS QE . . 4.390 2.771 2.017 3.449 . 0 0 "[ . 1 . 2]" 1
1135 1 64 LYS QB 1 65 PHE H . . 3.620 2.931 2.340 3.639 0.019 16 0 "[ . 1 . 2]" 1
1136 1 64 LYS QB 1 65 PHE QD . . 5.150 4.817 4.172 5.149 . 0 0 "[ . 1 . 2]" 1
1137 1 64 LYS QB 1 73 THR HB . . 3.830 2.860 2.035 3.695 . 0 0 "[ . 1 . 2]" 1
1138 1 64 LYS QB 1 73 THR MG . . 4.010 3.369 2.912 4.023 0.013 16 0 "[ . 1 . 2]" 1
1139 1 64 LYS QB 1 74 CYS H . . 4.410 3.733 2.922 4.413 0.003 16 0 "[ . 1 . 2]" 1
1140 1 64 LYS QB 1 75 LEU QD . . 4.550 3.631 2.149 4.380 . 0 0 "[ . 1 . 2]" 1
1141 1 64 LYS QD 1 73 THR HB . . 4.110 2.745 1.960 4.037 . 0 0 "[ . 1 . 2]" 1
1142 1 64 LYS QD 1 73 THR MG . . 3.950 3.293 1.857 3.941 . 0 0 "[ . 1 . 2]" 1
1143 1 64 LYS QD 1 75 LEU QD . . 4.070 3.180 1.945 4.042 . 0 0 "[ . 1 . 2]" 1
1144 1 64 LYS QE 1 73 THR HB . . 4.780 3.339 1.915 4.478 . 0 0 "[ . 1 . 2]" 1
1145 1 64 LYS QE 1 73 THR MG . . 4.410 3.939 2.157 4.408 . 0 0 "[ . 1 . 2]" 1
1146 1 64 LYS QE 1 75 LEU QD . . 4.310 2.900 1.920 3.971 . 0 0 "[ . 1 . 2]" 1
1147 1 64 LYS QG 1 65 PHE H . . 4.340 3.679 2.635 4.308 . 0 0 "[ . 1 . 2]" 1
1148 1 64 LYS QG 1 73 THR HB . . 4.470 3.825 2.524 4.469 . 0 0 "[ . 1 . 2]" 1
1149 1 64 LYS QG 1 75 LEU QD . . 4.010 2.526 1.875 3.997 . 0 0 "[ . 1 . 2]" 1
1150 1 64 LYS HG2 1 65 PHE H . . 5.090 3.967 3.469 4.967 . 0 0 "[ . 1 . 2]" 1
1151 1 64 LYS HG3 1 65 PHE H . . 5.090 4.676 2.672 5.054 . 0 0 "[ . 1 . 2]" 1
1152 1 65 PHE H 1 65 PHE HB2 . . 3.660 2.587 2.346 2.739 . 0 0 "[ . 1 . 2]" 1
1153 1 65 PHE H 1 65 PHE HB3 . . 3.750 3.703 3.587 3.778 0.028 16 0 "[ . 1 . 2]" 1
1154 1 65 PHE H 1 65 PHE QD . . 3.820 2.485 2.039 3.138 . 0 0 "[ . 1 . 2]" 1
1155 1 65 PHE H 1 65 PHE QE . . 5.210 4.457 3.904 4.894 . 0 0 "[ . 1 . 2]" 1
1156 1 65 PHE HA 1 65 PHE QD . . 3.940 2.949 2.561 3.174 . 0 0 "[ . 1 . 2]" 1
1157 1 65 PHE HA 1 65 PHE QE . . 4.990 4.693 4.528 4.827 . 0 0 "[ . 1 . 2]" 1
1158 1 65 PHE HA 1 66 ALA H . . 2.880 2.148 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
1159 1 65 PHE HA 1 66 ALA MB . . 4.200 3.998 3.917 4.053 . 0 0 "[ . 1 . 2]" 1
1160 1 65 PHE HA 1 80 LEU QD . . 4.550 3.849 3.497 4.193 . 0 0 "[ . 1 . 2]" 1
1161 1 65 PHE HB2 1 80 LEU HB2 . . 4.700 3.166 2.726 3.591 . 0 0 "[ . 1 . 2]" 1
1162 1 65 PHE HB2 1 80 LEU QB . . 4.010 3.049 2.629 3.385 . 0 0 "[ . 1 . 2]" 1
1163 1 65 PHE HB2 1 80 LEU HB3 . . 4.700 4.016 3.452 4.621 . 0 0 "[ . 1 . 2]" 1
1164 1 65 PHE HB2 1 80 LEU QD . . 3.390 2.734 2.031 3.152 . 0 0 "[ . 1 . 2]" 1
1165 1 65 PHE HB3 1 66 ALA H . . 3.810 3.592 3.284 3.757 . 0 0 "[ . 1 . 2]" 1
1166 1 65 PHE HB3 1 66 ALA MB . . 5.210 5.119 4.944 5.204 . 0 0 "[ . 1 . 2]" 1
1167 1 65 PHE HB3 1 80 LEU HB2 . . 4.710 3.711 3.096 4.445 . 0 0 "[ . 1 . 2]" 1
1168 1 65 PHE HB3 1 80 LEU QB . . 4.060 3.446 2.966 3.986 . 0 0 "[ . 1 . 2]" 1
1169 1 65 PHE HB3 1 80 LEU HB3 . . 4.710 4.120 3.764 4.583 . 0 0 "[ . 1 . 2]" 1
1170 1 65 PHE QD 1 66 ALA H . . 5.020 4.495 4.175 4.730 . 0 0 "[ . 1 . 2]" 1
1171 1 65 PHE QD 1 75 LEU HA . . 4.140 3.698 2.819 4.088 . 0 0 "[ . 1 . 2]" 1
1172 1 65 PHE QD 1 76 SER H . . 4.560 3.408 2.308 4.558 . 0 0 "[ . 1 . 2]" 1
1173 1 65 PHE QD 1 76 SER HA . . 4.520 3.900 3.593 4.523 0.003 14 0 "[ . 1 . 2]" 1
1174 1 65 PHE QD 1 77 LYS H . . 5.270 3.996 3.197 4.838 . 0 0 "[ . 1 . 2]" 1
1175 1 65 PHE QD 1 77 LYS HA . . 4.690 3.377 2.832 3.979 . 0 0 "[ . 1 . 2]" 1
1176 1 65 PHE QD 1 80 LEU QD . . 3.810 3.403 2.987 3.683 . 0 0 "[ . 1 . 2]" 1
1177 1 65 PHE QE 1 75 LEU HA . . 5.140 4.490 3.101 5.130 . 0 0 "[ . 1 . 2]" 1
1178 1 65 PHE QE 1 76 SER HA . . 4.370 3.310 2.663 4.370 . 0 0 "[ . 1 . 2]" 1
1179 1 65 PHE QE 1 77 LYS H . . 5.360 3.341 2.145 4.629 . 0 0 "[ . 1 . 2]" 1
1180 1 65 PHE QE 1 77 LYS HA . . 4.740 3.982 3.428 4.529 . 0 0 "[ . 1 . 2]" 1
1181 1 65 PHE QE 1 77 LYS QB . . 5.020 3.188 2.548 4.755 . 0 0 "[ . 1 . 2]" 1
1182 1 65 PHE QE 1 77 LYS QG . . 4.610 3.835 2.837 4.608 . 0 0 "[ . 1 . 2]" 1
1183 1 65 PHE HZ 1 77 LYS QB . . 5.340 3.360 2.635 5.246 . 0 0 "[ . 1 . 2]" 1
1184 1 65 PHE HZ 1 77 LYS QG . . 5.270 4.286 2.886 5.232 . 0 0 "[ . 1 . 2]" 1
1185 1 66 ALA H 1 66 ALA MB . . 3.190 2.226 2.136 2.333 . 0 0 "[ . 1 . 2]" 1
1186 1 66 ALA H 1 73 THR MG . . 4.730 4.089 3.543 4.529 . 0 0 "[ . 1 . 2]" 1
1187 1 66 ALA H 1 80 LEU QD . . 4.230 3.874 3.299 4.206 . 0 0 "[ . 1 . 2]" 1
1188 1 66 ALA HA 1 67 CYS H . . 3.190 2.202 2.151 2.291 . 0 0 "[ . 1 . 2]" 1
1189 1 66 ALA HA 1 67 CYS HA . . 4.530 4.341 4.327 4.357 . 0 0 "[ . 1 . 2]" 1
1190 1 66 ALA HA 1 67 CYS HB2 . . 4.730 4.460 4.334 4.583 . 0 0 "[ . 1 . 2]" 1
1191 1 66 ALA HA 1 67 CYS HB3 . . 5.040 4.761 4.637 4.941 . 0 0 "[ . 1 . 2]" 1
1192 1 66 ALA HA 1 73 THR HB . . 4.340 4.209 3.958 4.338 . 0 0 "[ . 1 . 2]" 1
1193 1 66 ALA HA 1 73 THR MG . . 3.410 2.401 2.041 2.769 . 0 0 "[ . 1 . 2]" 1
1194 1 66 ALA HA 1 80 LEU QD . . 4.490 3.649 3.311 4.020 . 0 0 "[ . 1 . 2]" 1
1195 1 66 ALA MB 1 67 CYS H . . 3.590 2.924 2.647 3.114 . 0 0 "[ . 1 . 2]" 1
1196 1 66 ALA MB 1 67 CYS HA . . 4.610 4.415 4.262 4.555 . 0 0 "[ . 1 . 2]" 1
1197 1 66 ALA MB 1 67 CYS HB3 . . 4.830 4.641 4.459 4.777 . 0 0 "[ . 1 . 2]" 1
1198 1 66 ALA MB 1 73 THR HA . . 4.070 3.658 3.372 4.073 0.003 16 0 "[ . 1 . 2]" 1
1199 1 66 ALA MB 1 73 THR HB . . 4.710 4.353 4.057 4.666 . 0 0 "[ . 1 . 2]" 1
1200 1 66 ALA MB 1 73 THR MG . . 3.220 2.219 1.943 2.488 . 0 0 "[ . 1 . 2]" 1
1201 1 67 CYS H 1 67 CYS HB2 . . 3.360 2.501 2.294 2.649 . 0 0 "[ . 1 . 2]" 1
1202 1 67 CYS H 1 67 CYS HB3 . . 3.320 2.586 2.432 2.787 . 0 0 "[ . 1 . 2]" 1
1203 1 67 CYS H 1 72 PHE HB3 . . 4.740 3.553 3.390 3.877 . 0 0 "[ . 1 . 2]" 1
1204 1 67 CYS H 1 72 PHE QD . . 4.400 3.800 3.251 4.352 . 0 0 "[ . 1 . 2]" 1
1205 1 67 CYS H 1 73 THR HA . . 3.940 3.614 3.087 3.886 . 0 0 "[ . 1 . 2]" 1
1206 1 67 CYS H 1 73 THR MG . . 4.120 3.736 3.269 4.084 . 0 0 "[ . 1 . 2]" 1
1207 1 67 CYS H 1 80 LEU QD . . 3.840 3.102 2.840 3.434 . 0 0 "[ . 1 . 2]" 1
1208 1 67 CYS HA 1 68 ASP H . . 3.110 2.217 2.174 2.298 . 0 0 "[ . 1 . 2]" 1
1209 1 67 CYS HA 1 68 ASP QB . . 5.170 4.262 4.044 4.619 . 0 0 "[ . 1 . 2]" 1
1210 1 67 CYS HA 1 69 TYR H . . 4.310 4.107 3.803 4.308 . 0 0 "[ . 1 . 2]" 1
1211 1 67 CYS HA 1 80 LEU MD1 . . 4.430 2.060 1.848 2.382 . 0 0 "[ . 1 . 2]" 1
1212 1 67 CYS HA 1 80 LEU QD . . 3.230 2.025 1.810 2.283 . 0 0 "[ . 1 . 2]" 1
1213 1 67 CYS HA 1 80 LEU MD2 . . 4.430 3.070 2.592 3.501 . 0 0 "[ . 1 . 2]" 1
1214 1 67 CYS HA 1 84 ILE MD . . 4.220 3.356 3.026 3.720 . 0 0 "[ . 1 . 2]" 1
1215 1 67 CYS HA 1 84 ILE HG12 . . 5.500 4.754 4.476 5.095 . 0 0 "[ . 1 . 2]" 1
1216 1 67 CYS HB2 1 68 ASP H . . 4.680 4.112 3.980 4.190 . 0 0 "[ . 1 . 2]" 1
1217 1 67 CYS HB2 1 70 CYS H . . 4.210 4.104 3.902 4.209 . 0 0 "[ . 1 . 2]" 1
1218 1 67 CYS HB2 1 72 PHE H . . 4.280 3.245 2.934 3.772 . 0 0 "[ . 1 . 2]" 1
1219 1 67 CYS HB2 1 72 PHE HB2 . . 4.410 4.112 3.830 4.335 . 0 0 "[ . 1 . 2]" 1
1220 1 67 CYS HB2 1 72 PHE HB3 . . 3.780 2.364 2.076 2.620 . 0 0 "[ . 1 . 2]" 1
1221 1 67 CYS HB2 1 72 PHE QD . . 3.690 2.504 2.304 2.750 . 0 0 "[ . 1 . 2]" 1
1222 1 67 CYS HB2 1 80 LEU QD . . 3.450 2.535 2.294 3.030 . 0 0 "[ . 1 . 2]" 1
1223 1 67 CYS HB2 1 83 HIS HD2 . . 3.990 3.648 2.904 3.993 0.003 7 0 "[ . 1 . 2]" 1
1224 1 67 CYS HB3 1 68 ASP H . . 4.770 3.932 3.633 4.099 . 0 0 "[ . 1 . 2]" 1
1225 1 67 CYS HB3 1 69 TYR H . . 4.430 4.077 3.622 4.345 . 0 0 "[ . 1 . 2]" 1
1226 1 67 CYS HB3 1 69 TYR QD . . 5.500 5.411 5.125 5.501 0.001 18 0 "[ . 1 . 2]" 1
1227 1 67 CYS HB3 1 70 CYS H . . 3.530 2.814 2.514 3.038 . 0 0 "[ . 1 . 2]" 1
1228 1 67 CYS HB3 1 72 PHE H . . 3.940 2.257 2.041 2.586 . 0 0 "[ . 1 . 2]" 1
1229 1 67 CYS HB3 1 72 PHE HB2 . . 4.260 4.171 4.043 4.263 0.003 12 0 "[ . 1 . 2]" 1
1230 1 67 CYS HB3 1 72 PHE HB3 . . 3.850 2.713 2.569 2.814 . 0 0 "[ . 1 . 2]" 1
1231 1 67 CYS HB3 1 72 PHE QD . . 4.040 3.919 3.553 4.042 0.002 16 0 "[ . 1 . 2]" 1
1232 1 67 CYS HB3 1 80 LEU QD . . 3.990 3.722 3.428 3.975 . 0 0 "[ . 1 . 2]" 1
1233 1 67 CYS HB3 1 83 HIS HD2 . . 5.170 4.829 4.300 5.165 . 0 0 "[ . 1 . 2]" 1
1234 1 68 ASP H 1 68 ASP HB2 . . 3.980 2.482 2.219 2.735 . 0 0 "[ . 1 . 2]" 1
1235 1 68 ASP H 1 68 ASP QB . . 3.290 2.326 2.197 2.631 . 0 0 "[ . 1 . 2]" 1
1236 1 68 ASP H 1 68 ASP HB3 . . 3.980 3.119 2.384 3.629 . 0 0 "[ . 1 . 2]" 1
1237 1 68 ASP H 1 69 TYR H . . 3.540 2.491 2.322 2.633 . 0 0 "[ . 1 . 2]" 1
1238 1 68 ASP H 1 69 TYR QD . . 4.580 3.493 3.233 4.566 . 0 0 "[ . 1 . 2]" 1
1239 1 68 ASP H 1 80 LEU QD . . 4.250 3.380 3.092 3.749 . 0 0 "[ . 1 . 2]" 1
1240 1 68 ASP H 1 84 ILE MD . . 4.470 3.080 2.445 3.793 . 0 0 "[ . 1 . 2]" 1
1241 1 68 ASP H 1 84 ILE MG . . 5.500 5.227 4.848 5.502 0.002 7 0 "[ . 1 . 2]" 1
1242 1 68 ASP QB 1 69 TYR H . . 4.000 2.631 2.414 2.976 . 0 0 "[ . 1 . 2]" 1
1243 1 68 ASP QB 1 69 TYR QD . . 3.630 2.945 2.597 3.492 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ASP QB 1 69 TYR QE . . 3.730 3.616 3.422 3.734 0.004 7 0 "[ . 1 . 2]" 1
1245 1 69 TYR H 1 69 TYR HB2 . . 3.800 2.422 2.330 2.656 . 0 0 "[ . 1 . 2]" 1
1246 1 69 TYR H 1 69 TYR QB . . 3.220 2.385 2.302 2.591 . 0 0 "[ . 1 . 2]" 1
1247 1 69 TYR H 1 69 TYR HB3 . . 3.800 3.589 3.578 3.604 . 0 0 "[ . 1 . 2]" 1
1248 1 69 TYR H 1 69 TYR QD . . 3.700 2.072 1.913 3.058 . 0 0 "[ . 1 . 2]" 1
1249 1 69 TYR H 1 70 CYS H . . 3.050 2.697 2.459 2.850 . 0 0 "[ . 1 . 2]" 1
1250 1 69 TYR HA 1 69 TYR QD . . 3.490 3.059 2.254 3.131 . 0 0 "[ . 1 . 2]" 1
1251 1 69 TYR HA 1 69 TYR QE . . 4.710 4.668 4.532 4.714 0.004 4 0 "[ . 1 . 2]" 1
1252 1 69 TYR QB 1 70 CYS H . . 3.610 2.288 2.019 2.570 . 0 0 "[ . 1 . 2]" 1
1253 1 69 TYR QB 1 84 ILE MG . . 4.360 3.705 3.351 4.234 . 0 0 "[ . 1 . 2]" 1
1254 1 69 TYR QB 1 88 HIS HD2 . . 4.600 3.132 2.726 3.784 . 0 0 "[ . 1 . 2]" 1
1255 1 69 TYR HB2 1 70 CYS H . . 4.230 2.335 2.050 2.628 . 0 0 "[ . 1 . 2]" 1
1256 1 69 TYR HB2 1 88 HIS HE1 . . 4.540 3.262 2.670 3.750 . 0 0 "[ . 1 . 2]" 1
1257 1 69 TYR HB3 1 70 CYS H . . 4.230 3.296 2.927 3.689 . 0 0 "[ . 1 . 2]" 1
1258 1 69 TYR HB3 1 88 HIS HE1 . . 4.540 3.018 2.579 3.448 . 0 0 "[ . 1 . 2]" 1
1259 1 69 TYR QD 1 70 CYS H . . 4.580 3.987 3.858 4.148 . 0 0 "[ . 1 . 2]" 1
1260 1 69 TYR QD 1 84 ILE HA . . 5.500 5.054 4.228 5.446 . 0 0 "[ . 1 . 2]" 1
1261 1 69 TYR QD 1 84 ILE MD . . 4.260 2.618 1.979 3.914 . 0 0 "[ . 1 . 2]" 1
1262 1 69 TYR QD 1 84 ILE MG . . 3.890 2.923 2.417 3.309 . 0 0 "[ . 1 . 2]" 1
1263 1 69 TYR QD 1 88 HIS HB2 . . 4.880 4.648 3.484 4.879 . 0 0 "[ . 1 . 2]" 1
1264 1 69 TYR QD 1 88 HIS HB3 . . 4.880 4.056 3.318 4.403 . 0 0 "[ . 1 . 2]" 1
1265 1 69 TYR QD 1 88 HIS HD2 . . 4.300 3.684 2.607 4.157 . 0 0 "[ . 1 . 2]" 1
1266 1 69 TYR QE 1 84 ILE MD . . 3.730 2.902 2.236 3.442 . 0 0 "[ . 1 . 2]" 1
1267 1 69 TYR QE 1 84 ILE MG . . 3.580 2.543 1.838 3.001 . 0 0 "[ . 1 . 2]" 1
1268 1 70 CYS HA 1 88 HIS HE1 . . 4.440 4.183 3.738 4.423 . 0 0 "[ . 1 . 2]" 1
1269 1 70 CYS QB 1 71 SER H . . 4.150 2.120 2.037 2.220 . 0 0 "[ . 1 . 2]" 1
1270 1 70 CYS QB 1 88 HIS HE1 . . 3.300 2.117 1.988 2.393 . 0 0 "[ . 1 . 2]" 1
1271 1 70 CYS HB2 1 71 SER H . . 4.720 2.134 2.049 2.238 . 0 0 "[ . 1 . 2]" 1
1272 1 70 CYS HB3 1 71 SER H . . 4.720 3.640 3.582 3.708 . 0 0 "[ . 1 . 2]" 1
1273 1 72 PHE H 1 72 PHE HB2 . . 3.270 3.025 2.805 3.258 . 0 0 "[ . 1 . 2]" 1
1274 1 72 PHE H 1 72 PHE HB3 . . 3.270 2.372 2.250 2.510 . 0 0 "[ . 1 . 2]" 1
1275 1 72 PHE H 1 72 PHE QD . . 4.220 4.091 3.942 4.151 . 0 0 "[ . 1 . 2]" 1
1276 1 72 PHE H 1 73 THR H . . 4.680 4.466 4.253 4.621 . 0 0 "[ . 1 . 2]" 1
1277 1 72 PHE HA 1 72 PHE QD . . 3.860 2.722 2.470 3.053 . 0 0 "[ . 1 . 2]" 1
1278 1 72 PHE HA 1 73 THR H . . 2.780 2.201 2.138 2.335 . 0 0 "[ . 1 . 2]" 1
1279 1 72 PHE HA 1 73 THR MG . . 4.540 3.853 3.454 4.135 . 0 0 "[ . 1 . 2]" 1
1280 1 72 PHE HB2 1 73 THR H . . 4.220 4.004 3.718 4.222 0.002 12 0 "[ . 1 . 2]" 1
1281 1 72 PHE HB2 1 83 HIS HE1 . . 3.870 3.169 2.662 3.773 . 0 0 "[ . 1 . 2]" 1
1282 1 72 PHE HB3 1 73 THR H . . 4.500 4.214 3.874 4.481 . 0 0 "[ . 1 . 2]" 1
1283 1 72 PHE HB3 1 83 HIS HD2 . . 5.210 4.454 3.949 5.163 . 0 0 "[ . 1 . 2]" 1
1284 1 72 PHE HB3 1 83 HIS HE1 . . 4.130 3.638 3.067 4.130 . 5 0 "[ . 1 . 2]" 1
1285 1 72 PHE QD 1 73 THR H . . 4.030 3.061 2.383 3.711 . 0 0 "[ . 1 . 2]" 1
1286 1 72 PHE QD 1 80 LEU QD . . 3.570 2.639 2.091 3.402 . 0 0 "[ . 1 . 2]" 1
1287 1 72 PHE QD 1 83 HIS HB3 . . 4.820 4.016 3.408 4.453 . 0 0 "[ . 1 . 2]" 1
1288 1 72 PHE QD 1 83 HIS HE1 . . 4.540 3.906 3.504 4.298 . 0 0 "[ . 1 . 2]" 1
1289 1 72 PHE QE 1 74 CYS HB2 . . 4.450 2.953 2.062 4.030 . 0 0 "[ . 1 . 2]" 1
1290 1 72 PHE QE 1 74 CYS QB . . 3.680 2.393 2.029 2.779 . 0 0 "[ . 1 . 2]" 1
1291 1 72 PHE QE 1 74 CYS HB3 . . 4.450 3.102 2.108 4.041 . 0 0 "[ . 1 . 2]" 1
1292 1 72 PHE QE 1 80 LEU HA . . 3.960 2.636 2.161 3.282 . 0 0 "[ . 1 . 2]" 1
1293 1 72 PHE QE 1 80 LEU QD . . 3.890 3.116 2.308 3.858 . 0 0 "[ . 1 . 2]" 1
1294 1 72 PHE QE 1 83 HIS HB2 . . 4.170 3.393 2.545 4.045 . 0 0 "[ . 1 . 2]" 1
1295 1 72 PHE HZ 1 74 CYS HB2 . . 4.660 2.963 2.288 3.629 . 0 0 "[ . 1 . 2]" 1
1296 1 72 PHE HZ 1 74 CYS QB . . 3.840 2.492 2.009 3.104 . 0 0 "[ . 1 . 2]" 1
1297 1 72 PHE HZ 1 74 CYS HB3 . . 4.660 3.455 2.024 4.593 . 0 0 "[ . 1 . 2]" 1
1298 1 72 PHE HZ 1 83 HIS HB2 . . 4.690 4.216 3.498 4.673 . 0 0 "[ . 1 . 2]" 1
1299 1 73 THR H 1 73 THR MG . . 3.860 2.989 2.732 3.310 . 0 0 "[ . 1 . 2]" 1
1300 1 73 THR H 1 74 CYS H . . 4.650 4.422 4.298 4.500 . 0 0 "[ . 1 . 2]" 1
1301 1 73 THR HA 1 73 THR MG . . 3.330 2.238 2.135 2.369 . 0 0 "[ . 1 . 2]" 1
1302 1 73 THR HA 1 74 CYS H . . 3.050 2.194 2.151 2.249 . 0 0 "[ . 1 . 2]" 1
1303 1 73 THR HA 1 80 LEU QD . . 4.930 4.216 3.747 4.859 . 0 0 "[ . 1 . 2]" 1
1304 1 73 THR HB 1 74 CYS H . . 3.350 3.037 2.817 3.288 . 0 0 "[ . 1 . 2]" 1
1305 1 73 THR HB 1 75 LEU QD . . 5.000 4.556 4.088 5.007 0.007 12 0 "[ . 1 . 2]" 1
1306 1 73 THR MG 1 74 CYS H . . 3.930 3.789 3.502 3.906 . 0 0 "[ . 1 . 2]" 1
1307 1 74 CYS H 1 74 CYS QB . . 3.540 2.813 2.499 3.156 . 0 0 "[ . 1 . 2]" 1
1308 1 74 CYS QB 1 76 SER H . . 3.950 3.195 2.585 3.880 . 0 0 "[ . 1 . 2]" 1
1309 1 74 CYS QB 1 79 HIS QB . . 4.340 3.052 2.351 3.907 . 0 0 "[ . 1 . 2]" 1
1310 1 74 CYS QB 1 80 LEU H . . 4.970 3.945 3.421 4.754 . 0 0 "[ . 1 . 2]" 1
1311 1 74 CYS QB 1 80 LEU QB . . 4.740 3.403 1.992 4.274 . 0 0 "[ . 1 . 2]" 1
1312 1 74 CYS HB2 1 76 SER H . . 4.730 4.025 3.089 4.717 . 0 0 "[ . 1 . 2]" 1
1313 1 74 CYS HB3 1 76 SER H . . 4.730 3.808 2.613 4.717 . 0 0 "[ . 1 . 2]" 1
1314 1 75 LEU HA 1 75 LEU HG . . 3.910 3.161 2.299 3.735 . 0 0 "[ . 1 . 2]" 1
1315 1 75 LEU QB 1 75 LEU QD . . 2.780 1.946 1.786 2.063 . 0 0 "[ . 1 . 2]" 1
1316 1 75 LEU HB2 1 76 SER H . . 4.780 3.672 2.561 4.335 . 0 0 "[ . 1 . 2]" 1
1317 1 75 LEU HB3 1 76 SER H . . 4.780 3.948 3.077 4.405 . 0 0 "[ . 1 . 2]" 1
1318 1 76 SER H 1 79 HIS QB . . 3.810 3.682 3.324 3.809 . 0 0 "[ . 1 . 2]" 1
1319 1 76 SER QB 1 79 HIS H . . 4.540 2.723 2.171 3.683 . 0 0 "[ . 1 . 2]" 1
1320 1 76 SER QB 1 79 HIS QB . . 3.750 2.631 1.830 3.730 . 0 0 "[ . 1 . 2]" 1
1321 1 76 SER HB2 1 79 HIS QB . . 4.440 3.032 1.992 4.138 . 0 0 "[ . 1 . 2]" 1
1322 1 76 SER HB3 1 79 HIS QB . . 4.440 3.280 1.841 4.417 . 0 0 "[ . 1 . 2]" 1
1323 1 77 LYS HA 1 77 LYS QG . . 3.820 2.959 2.293 3.434 . 0 0 "[ . 1 . 2]" 1
1324 1 77 LYS HA 1 80 LEU H . . 3.780 3.586 3.178 3.786 0.006 7 0 "[ . 1 . 2]" 1
1325 1 77 LYS HA 1 80 LEU HB2 . . 4.270 3.743 3.354 4.187 . 0 0 "[ . 1 . 2]" 1
1326 1 77 LYS HA 1 80 LEU QB . . 3.430 2.899 2.429 3.180 . 0 0 "[ . 1 . 2]" 1
1327 1 77 LYS HA 1 80 LEU HB3 . . 4.270 3.035 2.491 3.331 . 0 0 "[ . 1 . 2]" 1
1328 1 77 LYS HA 1 80 LEU QD . . 4.520 3.390 2.791 3.676 . 0 0 "[ . 1 . 2]" 1
1329 1 77 LYS HA 1 81 LYS H . . 4.830 4.590 4.152 4.831 0.001 14 0 "[ . 1 . 2]" 1
1330 1 77 LYS QE 1 77 LYS QG . . 3.460 2.209 2.010 2.577 . 0 0 "[ . 1 . 2]" 1
1331 1 78 GLY HA2 1 81 LYS H . . 4.140 3.575 3.243 3.794 . 0 0 "[ . 1 . 2]" 1
1332 1 78 GLY HA2 1 81 LYS QB . . 3.840 2.998 2.659 3.276 . 0 0 "[ . 1 . 2]" 1
1333 1 78 GLY HA3 1 81 LYS H . . 4.970 4.777 4.392 4.954 . 0 0 "[ . 1 . 2]" 1
1334 1 78 GLY HA3 1 81 LYS QB . . 4.760 4.351 4.017 4.584 . 0 0 "[ . 1 . 2]" 1
1335 1 79 HIS H 1 79 HIS QB . . 3.310 2.254 2.148 2.429 . 0 0 "[ . 1 . 2]" 1
1336 1 79 HIS H 1 81 LYS H . . 4.660 4.407 4.088 4.612 . 0 0 "[ . 1 . 2]" 1
1337 1 79 HIS HA 1 79 HIS HD2 . . 4.300 3.393 2.262 4.280 . 0 0 "[ . 1 . 2]" 1
1338 1 79 HIS HA 1 82 VAL H . . 4.080 3.666 3.354 3.866 . 0 0 "[ . 1 . 2]" 1
1339 1 79 HIS HA 1 82 VAL HB . . 4.170 3.404 2.682 4.171 0.001 3 0 "[ . 1 . 2]" 1
1340 1 79 HIS HA 1 82 VAL MG1 . . 4.780 3.335 1.906 4.451 . 0 0 "[ . 1 . 2]" 1
1341 1 79 HIS HA 1 82 VAL QG . . 3.640 2.628 1.904 3.316 . 0 0 "[ . 1 . 2]" 1
1342 1 79 HIS HA 1 82 VAL MG2 . . 4.780 3.711 2.778 4.775 . 0 0 "[ . 1 . 2]" 1
1343 1 79 HIS QB 1 80 LEU H . . 3.660 2.574 2.196 2.874 . 0 0 "[ . 1 . 2]" 1
1344 1 79 HIS QB 1 82 VAL QG . . 5.440 4.175 3.499 4.690 . 0 0 "[ . 1 . 2]" 1
1345 1 80 LEU H 1 80 LEU HB2 . . 3.380 2.646 2.361 2.836 . 0 0 "[ . 1 . 2]" 1
1346 1 80 LEU H 1 80 LEU HB3 . . 3.380 2.381 2.216 2.654 . 0 0 "[ . 1 . 2]" 1
1347 1 80 LEU H 1 80 LEU MD1 . . 4.570 4.148 4.064 4.273 . 0 0 "[ . 1 . 2]" 1
1348 1 80 LEU H 1 80 LEU QD . . 4.000 3.699 3.679 3.731 . 0 0 "[ . 1 . 2]" 1
1349 1 80 LEU H 1 80 LEU MD2 . . 4.570 4.160 4.051 4.234 . 0 0 "[ . 1 . 2]" 1
1350 1 80 LEU H 1 80 LEU HG . . 4.600 4.381 4.231 4.483 . 0 0 "[ . 1 . 2]" 1
1351 1 80 LEU H 1 81 LYS H . . 3.460 2.790 2.522 3.032 . 0 0 "[ . 1 . 2]" 1
1352 1 80 LEU H 1 81 LYS QB . . 4.790 4.484 4.281 4.697 . 0 0 "[ . 1 . 2]" 1
1353 1 80 LEU H 1 82 VAL QG . . 5.110 4.623 3.964 5.100 . 0 0 "[ . 1 . 2]" 1
1354 1 80 LEU HA 1 80 LEU MD1 . . 4.300 2.386 2.092 3.581 . 0 0 "[ . 1 . 2]" 1
1355 1 80 LEU HA 1 80 LEU QD . . 3.120 2.323 2.084 3.091 . 0 0 "[ . 1 . 2]" 1
1356 1 80 LEU HA 1 80 LEU MD2 . . 4.300 3.891 3.266 4.017 . 0 0 "[ . 1 . 2]" 1
1357 1 80 LEU HA 1 83 HIS H . . 4.000 3.512 3.169 3.791 . 0 0 "[ . 1 . 2]" 1
1358 1 80 LEU HA 1 83 HIS HB2 . . 4.020 3.645 3.361 3.885 . 0 0 "[ . 1 . 2]" 1
1359 1 80 LEU HA 1 83 HIS HB3 . . 3.730 2.419 2.094 2.612 . 0 0 "[ . 1 . 2]" 1
1360 1 80 LEU HA 1 84 ILE H . . 4.660 4.449 3.987 4.618 . 0 0 "[ . 1 . 2]" 1
1361 1 80 LEU QB 1 80 LEU QD . . 2.810 1.880 1.764 1.943 . 0 0 "[ . 1 . 2]" 1
1362 1 80 LEU QB 1 81 LYS H . . 3.370 2.492 2.186 2.849 . 0 0 "[ . 1 . 2]" 1
1363 1 80 LEU HB2 1 81 LYS H . . 4.130 3.889 3.593 4.106 . 0 0 "[ . 1 . 2]" 1
1364 1 80 LEU HB3 1 81 LYS H . . 4.130 2.524 2.205 2.906 . 0 0 "[ . 1 . 2]" 1
1365 1 80 LEU QD 1 81 LYS H . . 4.250 3.602 2.911 4.032 . 0 0 "[ . 1 . 2]" 1
1366 1 80 LEU QD 1 81 LYS HA . . 4.990 3.839 2.747 4.197 . 0 0 "[ . 1 . 2]" 1
1367 1 80 LEU QD 1 83 HIS HB2 . . 5.210 4.583 4.251 5.207 . 0 0 "[ . 1 . 2]" 1
1368 1 80 LEU QD 1 83 HIS HB3 . . 4.130 3.418 3.194 3.968 . 0 0 "[ . 1 . 2]" 1
1369 1 80 LEU QD 1 83 HIS HD2 . . 3.460 3.008 2.461 3.467 0.007 7 0 "[ . 1 . 2]" 1
1370 1 80 LEU QD 1 84 ILE H . . 4.380 4.151 3.541 4.342 . 0 0 "[ . 1 . 2]" 1
1371 1 80 LEU QD 1 84 ILE HG12 . . 3.890 3.551 3.233 3.887 . 0 0 "[ . 1 . 2]" 1
1372 1 80 LEU QD 1 84 ILE HG13 . . 3.640 2.819 2.073 3.024 . 0 0 "[ . 1 . 2]" 1
1373 1 80 LEU MD1 1 81 LYS H . . 4.860 4.355 4.080 4.638 . 0 0 "[ . 1 . 2]" 1
1374 1 80 LEU MD2 1 81 LYS H . . 4.860 3.881 2.951 4.431 . 0 0 "[ . 1 . 2]" 1
1375 1 80 LEU HG 1 81 LYS H . . 4.600 3.446 2.835 4.453 . 0 0 "[ . 1 . 2]" 1
1376 1 80 LEU HG 1 84 ILE MD . . 3.320 2.703 2.132 3.319 . 0 0 "[ . 1 . 2]" 1
1377 1 80 LEU HG 1 84 ILE HG13 . . 4.490 3.559 3.079 4.167 . 0 0 "[ . 1 . 2]" 1
1378 1 81 LYS H 1 81 LYS QB . . 2.980 2.206 2.117 2.257 . 0 0 "[ . 1 . 2]" 1
1379 1 81 LYS H 1 81 LYS HG2 . . 4.750 4.536 4.248 4.640 . 0 0 "[ . 1 . 2]" 1
1380 1 81 LYS H 1 81 LYS QG . . 4.090 3.953 3.800 4.050 . 0 0 "[ . 1 . 2]" 1
1381 1 81 LYS H 1 81 LYS HG3 . . 4.750 4.362 4.070 4.528 . 0 0 "[ . 1 . 2]" 1
1382 1 81 LYS H 1 82 VAL H . . 3.560 2.844 2.614 2.988 . 0 0 "[ . 1 . 2]" 1
1383 1 81 LYS H 1 82 VAL QG . . 5.170 4.081 3.646 4.372 . 0 0 "[ . 1 . 2]" 1
1384 1 81 LYS H 1 84 ILE MD . . 5.370 4.719 3.997 5.292 . 0 0 "[ . 1 . 2]" 1
1385 1 81 LYS HA 1 81 LYS QD . . 4.710 3.386 2.006 4.159 . 0 0 "[ . 1 . 2]" 1
1386 1 81 LYS HA 1 81 LYS HG2 . . 4.040 3.233 2.255 3.838 . 0 0 "[ . 1 . 2]" 1
1387 1 81 LYS HA 1 81 LYS QG . . 3.450 2.472 2.205 2.957 . 0 0 "[ . 1 . 2]" 1
1388 1 81 LYS HA 1 81 LYS HG3 . . 4.040 2.640 2.271 3.497 . 0 0 "[ . 1 . 2]" 1
1389 1 81 LYS HA 1 84 ILE H . . 3.990 3.605 3.386 3.926 . 0 0 "[ . 1 . 2]" 1
1390 1 81 LYS HA 1 84 ILE HB . . 3.710 3.353 3.051 3.711 0.001 12 0 "[ . 1 . 2]" 1
1391 1 81 LYS HA 1 84 ILE MD . . 3.790 3.004 2.384 3.546 . 0 0 "[ . 1 . 2]" 1
1392 1 81 LYS HA 1 84 ILE HG13 . . 4.840 3.797 3.460 4.216 . 0 0 "[ . 1 . 2]" 1
1393 1 81 LYS HA 1 84 ILE MG . . 5.080 4.668 4.418 4.998 . 0 0 "[ . 1 . 2]" 1
1394 1 81 LYS QB 1 81 LYS QD . . 3.420 2.203 2.036 2.590 . 0 0 "[ . 1 . 2]" 1
1395 1 81 LYS QB 1 81 LYS QE . . 4.430 2.941 2.056 3.732 . 0 0 "[ . 1 . 2]" 1
1396 1 81 LYS QB 1 82 VAL H . . 3.360 2.321 2.066 2.711 . 0 0 "[ . 1 . 2]" 1
1397 1 81 LYS QB 1 82 VAL QG . . 4.020 3.344 2.937 3.867 . 0 0 "[ . 1 . 2]" 1
1398 1 81 LYS QG 1 82 VAL HA . . 4.990 3.901 3.348 4.854 . 0 0 "[ . 1 . 2]" 1
1399 1 82 VAL H 1 82 VAL HB . . 3.210 2.520 2.451 2.579 . 0 0 "[ . 1 . 2]" 1
1400 1 82 VAL H 1 82 VAL MG1 . . 3.960 3.129 2.009 3.773 . 0 0 "[ . 1 . 2]" 1
1401 1 82 VAL H 1 82 VAL QG . . 3.060 2.173 1.986 2.412 . 0 0 "[ . 1 . 2]" 1
1402 1 82 VAL H 1 82 VAL MG2 . . 3.960 2.821 1.993 3.764 . 0 0 "[ . 1 . 2]" 1
1403 1 82 VAL H 1 83 HIS H . . 3.540 2.670 2.456 2.797 . 0 0 "[ . 1 . 2]" 1
1404 1 82 VAL H 1 84 ILE H . . 4.750 4.282 4.027 4.580 . 0 0 "[ . 1 . 2]" 1
1405 1 82 VAL HA 1 82 VAL MG1 . . 3.340 2.705 2.296 3.203 . 0 0 "[ . 1 . 2]" 1
1406 1 82 VAL HA 1 82 VAL MG2 . . 3.340 2.291 2.186 2.438 . 0 0 "[ . 1 . 2]" 1
1407 1 82 VAL HA 1 85 GLU H . . 4.130 3.260 3.117 3.438 . 0 0 "[ . 1 . 2]" 1
1408 1 82 VAL HA 1 85 GLU HB2 . . 4.350 2.479 2.357 2.661 . 0 0 "[ . 1 . 2]" 1
1409 1 82 VAL HA 1 85 GLU QB . . 3.500 2.460 2.341 2.637 . 0 0 "[ . 1 . 2]" 1
1410 1 82 VAL HA 1 85 GLU HB3 . . 4.350 4.108 3.951 4.319 . 0 0 "[ . 1 . 2]" 1
1411 1 82 VAL HA 1 85 GLU HG2 . . 5.060 4.366 3.472 5.012 . 0 0 "[ . 1 . 2]" 1
1412 1 82 VAL HA 1 85 GLU QG . . 4.260 3.377 2.832 3.834 . 0 0 "[ . 1 . 2]" 1
1413 1 82 VAL HA 1 85 GLU HG3 . . 5.060 3.617 2.875 5.006 . 0 0 "[ . 1 . 2]" 1
1414 1 82 VAL HA 1 86 ARG H . . 4.600 4.092 3.883 4.449 . 0 0 "[ . 1 . 2]" 1
1415 1 82 VAL HA 1 86 ARG QG . . 4.800 3.594 3.165 4.507 . 0 0 "[ . 1 . 2]" 1
1416 1 82 VAL HB 1 83 HIS H . . 4.070 3.239 2.557 4.084 0.014 14 0 "[ . 1 . 2]" 1
1417 1 82 VAL QG 1 83 HIS H . . 3.650 2.838 1.992 3.440 . 0 0 "[ . 1 . 2]" 1
1418 1 82 VAL QG 1 83 HIS HA . . 4.340 3.290 2.933 3.739 . 0 0 "[ . 1 . 2]" 1
1419 1 82 VAL QG 1 83 HIS HB2 . . 5.440 4.121 3.303 4.717 . 0 0 "[ . 1 . 2]" 1
1420 1 82 VAL QG 1 84 ILE H . . 5.420 4.382 4.037 4.610 . 0 0 "[ . 1 . 2]" 1
1421 1 82 VAL QG 1 85 GLU QB . . 4.120 3.200 2.827 3.495 . 0 0 "[ . 1 . 2]" 1
1422 1 82 VAL QG 1 86 ARG H . . 4.590 3.700 3.372 3.947 . 0 0 "[ . 1 . 2]" 1
1423 1 82 VAL QG 1 86 ARG QB . . 4.220 3.118 2.801 3.503 . 0 0 "[ . 1 . 2]" 1
1424 1 82 VAL QG 1 86 ARG QD . . 3.410 2.826 1.928 3.414 0.004 18 0 "[ . 1 . 2]" 1
1425 1 82 VAL QG 1 86 ARG QG . . 3.500 2.017 1.750 2.856 . 0 0 "[ . 1 . 2]" 1
1426 1 82 VAL MG1 1 83 HIS H . . 4.260 2.991 2.003 3.809 . 0 0 "[ . 1 . 2]" 1
1427 1 82 VAL MG1 1 85 GLU HB2 . . 6.400 4.068 2.930 5.071 . 0 0 "[ . 1 . 2]" 1
1428 1 82 VAL MG1 1 85 GLU HB3 . . 6.400 5.326 4.310 6.430 0.030 10 0 "[ . 1 . 2]" 1
1429 1 82 VAL MG2 1 83 HIS H . . 4.260 3.855 3.532 3.984 . 0 0 "[ . 1 . 2]" 1
1430 1 82 VAL MG2 1 85 GLU HB2 . . 6.400 3.858 3.006 4.448 . 0 0 "[ . 1 . 2]" 1
1431 1 82 VAL MG2 1 85 GLU HB3 . . 6.400 4.990 4.061 5.633 . 0 0 "[ . 1 . 2]" 1
1432 1 83 HIS H 1 83 HIS HB2 . . 3.390 2.949 2.889 3.043 . 0 0 "[ . 1 . 2]" 1
1433 1 83 HIS H 1 83 HIS HB3 . . 3.280 2.194 2.166 2.231 . 0 0 "[ . 1 . 2]" 1
1434 1 83 HIS H 1 84 ILE H . . 3.740 2.663 2.464 2.815 . 0 0 "[ . 1 . 2]" 1
1435 1 83 HIS HA 1 86 ARG H . . 4.230 3.452 3.316 3.686 . 0 0 "[ . 1 . 2]" 1
1436 1 83 HIS HA 1 86 ARG QB . . 3.960 2.902 2.710 3.266 . 0 0 "[ . 1 . 2]" 1
1437 1 83 HIS HA 1 87 VAL H . . 4.540 3.294 3.011 3.747 . 0 0 "[ . 1 . 2]" 1
1438 1 83 HIS HA 1 87 VAL QG . . 3.800 2.578 2.405 2.828 . 0 0 "[ . 1 . 2]" 1
1439 1 83 HIS HB2 1 84 ILE H . . 4.280 4.124 4.002 4.248 . 0 0 "[ . 1 . 2]" 1
1440 1 83 HIS HB3 1 83 HIS HD2 . . 3.950 2.862 2.753 3.009 . 0 0 "[ . 1 . 2]" 1
1441 1 83 HIS HB3 1 84 ILE H . . 3.580 2.884 2.715 3.083 . 0 0 "[ . 1 . 2]" 1
1442 1 83 HIS HB3 1 84 ILE HG13 . . 4.440 3.513 3.384 3.715 . 0 0 "[ . 1 . 2]" 1
1443 1 83 HIS HB3 1 87 VAL QG . . 4.990 4.200 3.755 4.440 . 0 0 "[ . 1 . 2]" 1
1444 1 83 HIS HD2 1 84 ILE H . . 4.130 3.018 2.408 3.353 . 0 0 "[ . 1 . 2]" 1
1445 1 83 HIS HD2 1 84 ILE HA . . 4.030 3.068 2.368 3.580 . 0 0 "[ . 1 . 2]" 1
1446 1 83 HIS HD2 1 84 ILE MD . . 4.160 3.437 3.306 3.545 . 0 0 "[ . 1 . 2]" 1
1447 1 83 HIS HD2 1 84 ILE HG12 . . 4.110 2.474 2.094 3.029 . 0 0 "[ . 1 . 2]" 1
1448 1 83 HIS HD2 1 84 ILE HG13 . . 3.780 2.050 1.982 2.205 . 0 0 "[ . 1 . 2]" 1
1449 1 83 HIS HD2 1 84 ILE MG . . 4.670 4.150 3.773 4.481 . 0 0 "[ . 1 . 2]" 1
1450 1 83 HIS HD2 1 88 HIS HD2 . . 3.820 3.069 2.566 3.426 . 0 0 "[ . 1 . 2]" 1
1451 1 83 HIS HE1 1 87 VAL HB . . 4.560 3.769 3.299 4.188 . 0 0 "[ . 1 . 2]" 1
1452 1 83 HIS HE1 1 87 VAL MG1 . . 3.530 2.906 2.465 3.449 . 0 0 "[ . 1 . 2]" 1
1453 1 83 HIS HE1 1 87 VAL MG2 . . 3.530 2.925 2.459 3.259 . 0 0 "[ . 1 . 2]" 1
1454 1 84 ILE H 1 84 ILE HB . . 3.280 2.509 2.454 2.563 . 0 0 "[ . 1 . 2]" 1
1455 1 84 ILE H 1 84 ILE MD . . 3.980 3.551 3.263 3.838 . 0 0 "[ . 1 . 2]" 1
1456 1 84 ILE H 1 84 ILE HG12 . . 3.800 3.540 3.332 3.783 . 0 0 "[ . 1 . 2]" 1
1457 1 84 ILE H 1 84 ILE HG13 . . 3.410 2.239 2.092 2.377 . 0 0 "[ . 1 . 2]" 1
1458 1 84 ILE H 1 84 ILE MG . . 4.070 3.770 3.757 3.795 . 0 0 "[ . 1 . 2]" 1
1459 1 84 ILE H 1 85 GLU H . . 3.530 2.451 2.257 2.590 . 0 0 "[ . 1 . 2]" 1
1460 1 84 ILE H 1 86 ARG H . . 4.820 3.900 3.720 4.293 . 0 0 "[ . 1 . 2]" 1
1461 1 84 ILE H 1 87 VAL H . . 5.500 4.561 4.486 4.778 . 0 0 "[ . 1 . 2]" 1
1462 1 84 ILE H 1 88 HIS HD2 . . 4.630 4.358 4.139 4.535 . 0 0 "[ . 1 . 2]" 1
1463 1 84 ILE HA 1 84 ILE MD . . 3.950 3.845 3.735 3.898 . 0 0 "[ . 1 . 2]" 1
1464 1 84 ILE HA 1 84 ILE HG12 . . 3.530 2.588 2.393 2.743 . 0 0 "[ . 1 . 2]" 1
1465 1 84 ILE HA 1 84 ILE HG13 . . 3.720 2.957 2.717 3.122 . 0 0 "[ . 1 . 2]" 1
1466 1 84 ILE HA 1 84 ILE MG . . 3.370 2.398 2.333 2.448 . 0 0 "[ . 1 . 2]" 1
1467 1 84 ILE HA 1 86 ARG H . . 4.930 4.138 3.966 4.407 . 0 0 "[ . 1 . 2]" 1
1468 1 84 ILE HA 1 87 VAL H . . 5.170 3.781 3.515 4.055 . 0 0 "[ . 1 . 2]" 1
1469 1 84 ILE HA 1 87 VAL HB . . 4.720 3.308 2.817 3.659 . 0 0 "[ . 1 . 2]" 1
1470 1 84 ILE HA 1 87 VAL QG . . 5.320 3.915 3.519 4.210 . 0 0 "[ . 1 . 2]" 1
1471 1 84 ILE HA 1 88 HIS H . . 3.820 2.499 2.315 2.681 . 0 0 "[ . 1 . 2]" 1
1472 1 84 ILE HA 1 88 HIS QB . . 3.720 2.457 1.981 2.927 . 0 0 "[ . 1 . 2]" 1
1473 1 84 ILE HA 1 88 HIS HD2 . . 3.060 2.027 1.956 2.152 . 0 0 "[ . 1 . 2]" 1
1474 1 84 ILE HB 1 84 ILE MD . . 3.230 2.348 2.239 2.465 . 0 0 "[ . 1 . 2]" 1
1475 1 84 ILE HB 1 85 GLU H . . 3.770 3.021 2.688 3.359 . 0 0 "[ . 1 . 2]" 1
1476 1 84 ILE MD 1 84 ILE MG . . 2.880 2.059 1.901 2.293 . 0 0 "[ . 1 . 2]" 1
1477 1 84 ILE MD 1 85 GLU H . . 5.500 4.811 4.454 5.133 . 0 0 "[ . 1 . 2]" 1
1478 1 84 ILE MD 1 88 HIS HD2 . . 4.400 3.581 3.168 3.828 . 0 0 "[ . 1 . 2]" 1
1479 1 84 ILE HG12 1 84 ILE MG . . 3.230 2.330 2.207 2.490 . 0 0 "[ . 1 . 2]" 1
1480 1 84 ILE HG12 1 88 HIS HD2 . . 3.820 2.003 1.974 2.204 . 0 0 "[ . 1 . 2]" 1
1481 1 84 ILE HG13 1 84 ILE MG . . 3.680 3.192 3.164 3.203 . 0 0 "[ . 1 . 2]" 1
1482 1 84 ILE HG13 1 85 GLU H . . 4.760 4.335 4.158 4.531 . 0 0 "[ . 1 . 2]" 1
1483 1 84 ILE HG13 1 88 HIS HD2 . . 4.210 3.333 2.906 3.612 . 0 0 "[ . 1 . 2]" 1
1484 1 84 ILE MG 1 85 GLU H . . 4.060 3.731 3.567 3.870 . 0 0 "[ . 1 . 2]" 1
1485 1 84 ILE MG 1 85 GLU HA . . 4.120 3.601 3.468 3.719 . 0 0 "[ . 1 . 2]" 1
1486 1 84 ILE MG 1 85 GLU HB2 . . 5.500 5.243 4.942 5.452 . 0 0 "[ . 1 . 2]" 1
1487 1 84 ILE MG 1 85 GLU HB3 . . 5.500 5.500 5.332 5.573 0.073 10 0 "[ . 1 . 2]" 1
1488 1 84 ILE MG 1 85 GLU QG . . 4.780 3.698 3.441 4.437 . 0 0 "[ . 1 . 2]" 1
1489 1 84 ILE MG 1 86 ARG H . . 5.500 4.966 4.763 5.206 . 0 0 "[ . 1 . 2]" 1
1490 1 84 ILE MG 1 87 VAL H . . 5.500 5.228 4.840 5.533 0.033 7 0 "[ . 1 . 2]" 1
1491 1 84 ILE MG 1 88 HIS H . . 4.510 3.767 3.575 3.943 . 0 0 "[ . 1 . 2]" 1
1492 1 84 ILE MG 1 88 HIS HB2 . . 4.030 2.116 1.917 2.370 . 0 0 "[ . 1 . 2]" 1
1493 1 84 ILE MG 1 88 HIS QB . . 3.400 2.078 1.880 2.326 . 0 0 "[ . 1 . 2]" 1
1494 1 84 ILE MG 1 88 HIS HB3 . . 4.030 3.042 2.717 3.446 . 0 0 "[ . 1 . 2]" 1
1495 1 84 ILE MG 1 88 HIS HD2 . . 3.840 2.297 1.969 3.099 . 0 0 "[ . 1 . 2]" 1
1496 1 84 ILE MG 1 89 LYS H . . 4.940 4.525 3.733 4.952 0.012 1 0 "[ . 1 . 2]" 1
1497 1 84 ILE MG 1 89 LYS QB . . 4.610 3.929 3.339 4.471 . 0 0 "[ . 1 . 2]" 1
1498 1 84 ILE MG 1 89 LYS QE . . 4.650 4.316 3.139 4.769 0.119 20 0 "[ . 1 . 2]" 1
1499 1 84 ILE MG 1 89 LYS QG . . 4.920 3.835 2.841 4.959 0.039 18 0 "[ . 1 . 2]" 1
1500 1 85 GLU H 1 85 GLU HB2 . . 3.820 2.406 2.201 2.507 . 0 0 "[ . 1 . 2]" 1
1501 1 85 GLU H 1 85 GLU QB . . 3.140 2.372 2.179 2.466 . 0 0 "[ . 1 . 2]" 1
1502 1 85 GLU H 1 85 GLU HB3 . . 3.820 3.610 3.496 3.654 . 0 0 "[ . 1 . 2]" 1
1503 1 85 GLU H 1 85 GLU HG2 . . 4.250 3.315 2.347 4.014 . 0 0 "[ . 1 . 2]" 1
1504 1 85 GLU H 1 85 GLU QG . . 3.660 2.634 2.278 3.424 . 0 0 "[ . 1 . 2]" 1
1505 1 85 GLU H 1 85 GLU HG3 . . 4.250 3.158 2.312 4.199 . 0 0 "[ . 1 . 2]" 1
1506 1 85 GLU H 1 86 ARG H . . 3.520 2.279 2.192 2.470 . 0 0 "[ . 1 . 2]" 1
1507 1 85 GLU HA 1 85 GLU HG2 . . 4.080 2.720 2.392 3.714 . 0 0 "[ . 1 . 2]" 1
1508 1 85 GLU HA 1 85 GLU QG . . 3.440 2.555 2.333 2.886 . 0 0 "[ . 1 . 2]" 1
1509 1 85 GLU HA 1 85 GLU HG3 . . 4.080 3.292 2.726 3.795 . 0 0 "[ . 1 . 2]" 1
1510 1 85 GLU HA 1 89 LYS H . . 4.550 3.895 3.055 4.460 . 0 0 "[ . 1 . 2]" 1
1511 1 85 GLU HA 1 89 LYS HA . . 4.880 4.736 4.420 4.928 0.048 7 0 "[ . 1 . 2]" 1
1512 1 85 GLU HA 1 89 LYS QB . . 3.590 1.915 1.802 1.957 . 0 0 "[ . 1 . 2]" 1
1513 1 85 GLU HA 1 89 LYS QD . . 4.600 3.816 1.930 4.613 0.013 4 0 "[ . 1 . 2]" 1
1514 1 85 GLU HA 1 89 LYS HG2 . . 4.620 3.584 2.959 4.312 . 0 0 "[ . 1 . 2]" 1
1515 1 85 GLU HA 1 89 LYS HG3 . . 4.620 3.271 2.084 4.624 0.004 7 0 "[ . 1 . 2]" 1
1516 1 85 GLU QB 1 86 ARG H . . 3.550 2.948 2.714 3.037 . 0 0 "[ . 1 . 2]" 1
1517 1 85 GLU QB 1 86 ARG QG . . 4.600 3.080 2.873 3.429 . 0 0 "[ . 1 . 2]" 1
1518 1 85 GLU HB2 1 86 ARG H . . 4.250 3.053 2.784 3.201 . 0 0 "[ . 1 . 2]" 1
1519 1 85 GLU HB3 1 86 ARG H . . 4.250 3.908 3.710 4.029 . 0 0 "[ . 1 . 2]" 1
1520 1 86 ARG H 1 86 ARG HB2 . . 3.990 2.446 2.324 2.532 . 0 0 "[ . 1 . 2]" 1
1521 1 86 ARG H 1 86 ARG QB . . 3.220 2.410 2.296 2.490 . 0 0 "[ . 1 . 2]" 1
1522 1 86 ARG H 1 86 ARG HB3 . . 3.990 3.646 3.577 3.676 . 0 0 "[ . 1 . 2]" 1
1523 1 86 ARG H 1 86 ARG QD . . 4.370 4.200 3.751 4.443 0.073 14 0 "[ . 1 . 2]" 1
1524 1 86 ARG H 1 86 ARG HG2 . . 3.990 3.132 2.550 3.980 . 0 0 "[ . 1 . 2]" 1
1525 1 86 ARG H 1 86 ARG QG . . 3.340 2.721 2.506 3.033 . 0 0 "[ . 1 . 2]" 1
1526 1 86 ARG H 1 86 ARG HG3 . . 3.990 3.460 2.806 3.914 . 0 0 "[ . 1 . 2]" 1
1527 1 86 ARG H 1 89 LYS H . . 5.150 4.110 3.691 4.371 . 0 0 "[ . 1 . 2]" 1
1528 1 86 ARG HA 1 86 ARG QD . . 3.930 3.010 2.005 4.056 0.126 15 0 "[ . 1 . 2]" 1
1529 1 86 ARG HA 1 86 ARG QG . . 3.660 2.590 2.223 2.922 . 0 0 "[ . 1 . 2]" 1
1530 1 86 ARG QB 1 87 VAL H . . 3.490 2.531 2.315 3.161 . 0 0 "[ . 1 . 2]" 1
1531 1 86 ARG QB 1 87 VAL QG . . 3.550 2.851 2.645 3.120 . 0 0 "[ . 1 . 2]" 1
1532 1 86 ARG HB2 1 87 VAL H . . 4.280 2.596 2.351 3.307 . 0 0 "[ . 1 . 2]" 1
1533 1 86 ARG HB3 1 87 VAL H . . 4.280 3.549 3.287 4.015 . 0 0 "[ . 1 . 2]" 1
1534 1 86 ARG QG 1 87 VAL QG . . 4.890 4.443 4.225 4.777 . 0 0 "[ . 1 . 2]" 1
1535 1 87 VAL H 1 87 VAL HB . . 3.240 2.570 2.496 2.641 . 0 0 "[ . 1 . 2]" 1
1536 1 87 VAL H 1 87 VAL MG1 . . 4.020 3.787 3.764 3.830 . 0 0 "[ . 1 . 2]" 1
1537 1 87 VAL H 1 87 VAL QG . . 3.060 2.239 1.999 2.549 . 0 0 "[ . 1 . 2]" 1
1538 1 87 VAL H 1 87 VAL MG2 . . 4.020 2.257 2.006 2.589 . 0 0 "[ . 1 . 2]" 1
1539 1 87 VAL H 1 88 HIS H . . 3.170 2.683 2.501 3.025 . 0 0 "[ . 1 . 2]" 1
1540 1 87 VAL H 1 89 LYS H . . 5.350 3.522 3.034 3.796 . 0 0 "[ . 1 . 2]" 1
1541 1 87 VAL HA 1 87 VAL MG1 . . 3.220 2.324 2.233 2.446 . 0 0 "[ . 1 . 2]" 1
1542 1 87 VAL HA 1 87 VAL QG . . 2.760 2.099 2.042 2.177 . 0 0 "[ . 1 . 2]" 1
1543 1 87 VAL HA 1 87 VAL MG2 . . 3.220 2.398 2.277 2.485 . 0 0 "[ . 1 . 2]" 1
1544 1 87 VAL HB 1 88 HIS H . . 3.610 2.109 1.988 2.202 . 0 0 "[ . 1 . 2]" 1
1545 1 87 VAL HB 1 88 HIS HD2 . . 4.780 3.872 3.284 4.108 . 0 0 "[ . 1 . 2]" 1
1546 1 87 VAL QG 1 88 HIS H . . 3.740 2.944 2.774 3.059 . 0 0 "[ . 1 . 2]" 1
1547 1 87 VAL QG 1 88 HIS HD2 . . 5.120 4.128 3.430 4.405 . 0 0 "[ . 1 . 2]" 1
1548 1 87 VAL QG 1 88 HIS HE1 . . 4.100 3.955 3.511 4.118 0.018 7 0 "[ . 1 . 2]" 1
1549 1 87 VAL MG1 1 88 HIS H . . 4.340 3.131 2.886 3.299 . 0 0 "[ . 1 . 2]" 1
1550 1 87 VAL MG2 1 88 HIS H . . 4.340 3.592 3.501 3.645 . 0 0 "[ . 1 . 2]" 1
1551 1 88 HIS H 1 88 HIS HB2 . . 3.910 2.430 2.376 2.504 . 0 0 "[ . 1 . 2]" 1
1552 1 88 HIS H 1 88 HIS QB . . 3.300 2.393 2.344 2.460 . 0 0 "[ . 1 . 2]" 1
1553 1 88 HIS H 1 88 HIS HB3 . . 3.910 3.598 3.583 3.616 . 0 0 "[ . 1 . 2]" 1
1554 1 88 HIS H 1 88 HIS HD2 . . 4.150 3.356 2.948 3.506 . 0 0 "[ . 1 . 2]" 1
1555 1 88 HIS H 1 89 LYS H . . 3.380 2.648 2.434 2.817 . 0 0 "[ . 1 . 2]" 1
1556 1 88 HIS H 1 89 LYS HA . . 5.430 5.220 5.117 5.269 . 0 0 "[ . 1 . 2]" 1
1557 1 88 HIS QB 1 88 HIS HD2 . . 3.460 2.630 2.624 2.669 . 0 0 "[ . 1 . 2]" 1
1558 1 88 HIS QB 1 89 LYS H . . 3.910 3.258 2.662 3.668 . 0 0 "[ . 1 . 2]" 1
1559 1 88 HIS HB2 1 89 LYS H . . 4.450 3.425 2.723 3.908 . 0 0 "[ . 1 . 2]" 1
1560 1 88 HIS HB3 1 89 LYS H . . 4.450 4.138 3.679 4.441 . 0 0 "[ . 1 . 2]" 1
1561 1 89 LYS H 1 89 LYS QB . . 3.410 2.634 2.291 2.807 . 0 0 "[ . 1 . 2]" 1
1562 1 89 LYS H 1 89 LYS QD . . 4.630 4.297 2.710 4.629 . 0 0 "[ . 1 . 2]" 1
1563 1 89 LYS H 1 89 LYS HG2 . . 4.790 4.160 2.756 4.869 0.079 8 0 "[ . 1 . 2]" 1
1564 1 89 LYS H 1 89 LYS QG . . 4.210 3.711 2.701 4.237 0.027 8 0 "[ . 1 . 2]" 1
1565 1 89 LYS H 1 89 LYS HG3 . . 4.790 4.409 3.107 4.822 0.032 13 0 "[ . 1 . 2]" 1
1566 1 89 LYS H 1 90 LYS H . . 4.520 4.109 2.700 4.520 0.000 7 0 "[ . 1 . 2]" 1
1567 1 89 LYS HA 1 89 LYS QD . . 3.970 2.603 1.968 3.989 0.019 20 0 "[ . 1 . 2]" 1
1568 1 89 LYS HA 1 89 LYS QE . . 5.500 3.898 2.014 4.663 . 0 0 "[ . 1 . 2]" 1
1569 1 89 LYS HA 1 89 LYS HG2 . . 3.890 2.939 2.501 3.635 . 0 0 "[ . 1 . 2]" 1
1570 1 89 LYS HA 1 89 LYS QG . . 3.380 2.493 2.197 2.859 . 0 0 "[ . 1 . 2]" 1
1571 1 89 LYS HA 1 89 LYS HG3 . . 3.890 3.127 2.219 3.897 0.007 17 0 "[ . 1 . 2]" 1
1572 1 89 LYS QE 1 89 LYS QG . . 3.250 2.147 2.035 2.291 . 0 0 "[ . 1 . 2]" 1
1573 1 90 LYS HA 1 90 LYS QG . . 3.830 2.807 2.220 3.421 . 0 0 "[ . 1 . 2]" 1
1574 1 90 LYS HA 1 91 ILE H . . 3.480 2.539 2.143 3.546 0.066 3 0 "[ . 1 . 2]" 1
1575 1 91 ILE H 1 91 ILE HB . . 3.810 2.999 2.472 3.753 . 0 0 "[ . 1 . 2]" 1
1576 1 91 ILE H 1 91 ILE HG12 . . 4.740 3.519 1.907 4.717 . 0 0 "[ . 1 . 2]" 1
1577 1 91 ILE H 1 91 ILE QG . . 4.150 2.986 1.854 4.144 . 0 0 "[ . 1 . 2]" 1
1578 1 91 ILE H 1 91 ILE HG13 . . 4.740 3.561 1.948 4.643 . 0 0 "[ . 1 . 2]" 1
1579 1 91 ILE H 1 92 LYS H . . 4.520 4.072 2.668 4.541 0.021 8 0 "[ . 1 . 2]" 1
1580 1 91 ILE HA 1 91 ILE MD . . 4.170 3.413 1.955 4.177 0.007 4 0 "[ . 1 . 2]" 1
1581 1 91 ILE HA 1 91 ILE QG . . 3.730 2.744 2.194 3.409 . 0 0 "[ . 1 . 2]" 1
1582 1 91 ILE HA 1 91 ILE MG . . 3.520 2.591 2.045 3.200 . 0 0 "[ . 1 . 2]" 1
1583 1 91 ILE HA 1 92 LYS H . . 3.250 2.340 2.142 3.076 . 0 0 "[ . 1 . 2]" 1
1584 1 91 ILE HB 1 92 LYS H . . 4.640 4.050 2.675 4.642 0.002 12 0 "[ . 1 . 2]" 1
1585 1 91 ILE QG 1 92 LYS H . . 4.720 3.852 1.943 4.624 . 0 0 "[ . 1 . 2]" 1
1586 1 91 ILE MG 1 92 LYS H . . 4.150 3.467 1.937 4.171 0.021 2 0 "[ . 1 . 2]" 1
1587 1 92 LYS H 1 92 LYS QB . . 3.650 2.493 2.146 3.154 . 0 0 "[ . 1 . 2]" 1
1588 1 92 LYS H 1 92 LYS QG . . 4.620 3.472 2.033 4.189 . 0 0 "[ . 1 . 2]" 1
1589 1 92 LYS QB 1 92 LYS QE . . 3.240 2.572 2.070 3.325 0.085 19 0 "[ . 1 . 2]" 1
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