NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631760 |
6f55   |
34211 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6f55
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 949
_Distance_constraint_stats_list.Viol_count 844
_Distance_constraint_stats_list.Viol_total 1446.329
_Distance_constraint_stats_list.Viol_max 3.704
_Distance_constraint_stats_list.Viol_rms 0.1573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.1714
_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 3 VAL 0.527 0.141 7 0 "[ . 1]"
1 4 PRO 0.589 0.083 7 0 "[ . 1]"
1 5 GLY 1.266 0.080 6 0 "[ . 1]"
1 6 VAL 1.484 0.116 8 0 "[ . 1]"
1 7 ARG 0.830 0.089 6 0 "[ . 1]"
1 8 VAL 1.756 0.109 2 0 "[ . 1]"
1 9 ARG 0.931 0.094 7 0 "[ . 1]"
1 10 ALA 1.599 0.082 3 0 "[ . 1]"
1 11 LEU 0.556 0.099 3 0 "[ . 1]"
1 12 TYR 4.469 0.472 6 0 "[ . 1]"
1 13 ASP 0.612 0.084 10 0 "[ . 1]"
1 14 TYR 2.942 0.089 2 0 "[ . 1]"
1 15 THR 0.654 0.091 9 0 "[ . 1]"
1 16 GLY 0.561 0.078 8 0 "[ . 1]"
1 17 GLN 0.750 0.091 9 0 "[ . 1]"
1 18 GLU 0.782 0.070 10 0 "[ . 1]"
1 19 ALA 0.111 0.048 9 0 "[ . 1]"
1 20 ASP 0.000 0.000 . 0 "[ . 1]"
1 21 GLU 2.047 0.112 8 0 "[ . 1]"
1 22 LEU 1.530 0.104 3 0 "[ . 1]"
1 23 SER 0.956 0.090 7 0 "[ . 1]"
1 24 PHE 5.775 0.108 3 0 "[ . 1]"
1 25 LYS 0.265 0.071 3 0 "[ . 1]"
1 26 ALA 0.066 0.066 9 0 "[ . 1]"
1 27 GLY 0.184 0.067 3 0 "[ . 1]"
1 28 GLU 1.242 0.121 4 0 "[ . 1]"
1 29 GLU 0.784 0.094 7 0 "[ . 1]"
1 30 LEU 3.469 0.096 8 0 "[ . 1]"
1 31 MET 4.151 0.135 2 0 "[ . 1]"
1 32 LYS 3.544 0.141 7 0 "[ . 1]"
1 33 ILE 4.002 0.090 1 0 "[ . 1]"
1 34 SER 0.162 0.116 8 0 "[ . 1]"
1 35 GLU 0.340 0.094 3 0 "[ . 1]"
1 36 GLU 1.062 0.111 10 0 "[ . 1]"
1 37 ASP 0.271 0.061 6 0 "[ . 1]"
1 38 GLU 0.500 0.095 8 0 "[ . 1]"
1 39 GLN 35.949 3.118 5 10 [****+*-***]
1 40 GLY 0.703 0.061 6 0 "[ . 1]"
1 41 TRP 34.647 3.704 8 10 [**-****+**]
1 42 CYS 0.502 0.076 5 0 "[ . 1]"
1 43 LYS 3.225 0.090 1 0 "[ . 1]"
1 44 GLY 1.144 0.096 8 0 "[ . 1]"
1 45 ARG 1.970 0.129 8 0 "[ . 1]"
1 46 LEU 3.129 0.129 8 0 "[ . 1]"
1 47 LEU 2.018 0.135 2 0 "[ . 1]"
1 48 THR 0.000 0.000 6 0 "[ . 1]"
1 49 GLY 0.508 0.092 8 0 "[ . 1]"
1 50 HIS 1.347 0.080 9 0 "[ . 1]"
1 51 VAL 0.537 0.073 10 0 "[ . 1]"
1 52 GLY 0.829 0.072 8 0 "[ . 1]"
1 53 LEU 3.176 0.123 5 0 "[ . 1]"
1 54 TYR 3.744 0.086 9 0 "[ . 1]"
1 55 PRO 2.214 0.079 3 0 "[ . 1]"
1 56 ALA 0.866 0.111 10 0 "[ . 1]"
1 57 ASN 29.123 3.452 5 10 [****+*-***]
1 58 TYR 2.512 0.088 2 0 "[ . 1]"
1 59 VAL 0.871 0.083 2 0 "[ . 1]"
1 60 GLU 0.138 0.083 8 0 "[ . 1]"
1 61 LYS 2.167 0.135 7 0 "[ . 1]"
1 62 VAL 1.915 0.135 7 0 "[ . 1]"
1 63 GLY 0.375 0.089 8 0 "[ . 1]"
1 64 LEU 1.173 0.118 5 0 "[ . 1]"
1 65 ALA 0.518 0.092 4 0 "[ . 1]"
1 66 ALA 0.061 0.044 9 0 "[ . 1]"
1 67 ALA 0.339 0.118 5 0 "[ . 1]"
2 1 THR 0.759 0.123 5 0 "[ . 1]"
2 2 LYS 0.000 0.000 . 0 "[ . 1]"
2 3 GLY 0.000 0.000 . 0 "[ . 1]"
2 4 PRO 0.000 0.000 . 0 "[ . 1]"
2 5 ALA 0.617 0.069 3 0 "[ . 1]"
2 6 PRO 0.161 0.080 10 0 "[ . 1]"
2 7 ASN 31.227 3.704 8 10 [**-****+**]
2 8 PRO 64.678 3.452 5 10 [****+*-***]
2 10 PRO 0.480 0.100 6 0 "[ . 1]"
2 11 ILE 1.076 0.105 3 0 "[ . 1]"
2 12 LEU 1.887 0.472 6 0 "[ . 1]"
2 13 LYS 0.179 0.092 1 0 "[ . 1]"
2 15 TRP 0.179 0.092 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL QG 1 4 PRO QD . . 4.850 3.131 2.663 3.459 . 0 0 "[ . 1]" 1
2 1 3 VAL QG 1 5 GLY H . . 5.440 4.780 2.708 5.402 . 0 0 "[ . 1]" 1
3 1 3 VAL QG 1 32 LYS QD . . 5.440 5.234 3.289 5.581 0.141 7 0 "[ . 1]" 1
4 1 3 VAL QG 1 32 LYS QE . . 4.850 3.790 1.897 4.576 . 0 0 "[ . 1]" 1
5 1 4 PRO QB 1 5 GLY HA2 . . 5.340 4.745 4.515 5.308 . 0 0 "[ . 1]" 1
6 1 4 PRO QB 1 5 GLY HA3 . . 5.340 4.454 4.209 4.671 . 0 0 "[ . 1]" 1
7 1 4 PRO QD 1 5 GLY H . . 4.960 4.549 2.557 5.030 0.070 9 0 "[ . 1]" 1
8 1 4 PRO QD 1 6 VAL QG . . 5.350 4.226 2.826 4.762 . 0 0 "[ . 1]" 1
9 1 4 PRO HG2 1 5 GLY HA2 . . 5.500 5.221 4.979 5.486 . 0 0 "[ . 1]" 1
10 1 4 PRO HG2 1 6 VAL QG . . 5.500 3.940 3.319 4.334 . 0 0 "[ . 1]" 1
11 1 4 PRO HG3 1 6 VAL QG . . 5.500 5.255 4.697 5.583 0.083 7 0 "[ . 1]" 1
12 1 5 GLY H 1 6 VAL H . . 5.500 4.398 2.965 4.664 . 0 0 "[ . 1]" 1
13 1 5 GLY H 1 6 VAL QG . . 5.500 4.584 2.662 5.027 . 0 0 "[ . 1]" 1
14 1 5 GLY H 1 31 MET HB2 . . 5.500 5.569 5.559 5.578 0.078 9 0 "[ . 1]" 1
15 1 5 GLY H 1 31 MET HB3 . . 5.500 4.549 4.194 4.796 . 0 0 "[ . 1]" 1
16 1 5 GLY H 1 31 MET ME . . 5.500 4.515 3.570 5.319 . 0 0 "[ . 1]" 1
17 1 5 GLY H 1 33 ILE MG . . 5.500 4.482 3.899 4.824 . 0 0 "[ . 1]" 1
18 1 5 GLY HA2 1 6 VAL QG . . 5.500 3.512 3.291 3.900 . 0 0 "[ . 1]" 1
19 1 5 GLY HA2 1 31 MET QB . . 5.340 3.195 2.416 3.982 . 0 0 "[ . 1]" 1
20 1 5 GLY HA2 1 31 MET ME . . 5.500 4.446 3.871 5.580 0.080 6 0 "[ . 1]" 1
21 1 5 GLY HA2 1 32 LYS H . . 5.500 4.326 4.031 4.532 . 0 0 "[ . 1]" 1
22 1 5 GLY HA2 1 32 LYS HG2 . . 5.500 5.260 4.267 5.565 0.065 6 0 "[ . 1]" 1
23 1 5 GLY HA2 1 33 ILE HA . . 5.500 3.461 3.135 3.718 . 0 0 "[ . 1]" 1
24 1 5 GLY HA2 1 33 ILE MG . . 5.500 3.113 2.515 3.451 . 0 0 "[ . 1]" 1
25 1 5 GLY HA3 1 31 MET ME . . 5.500 3.269 2.385 4.292 . 0 0 "[ . 1]" 1
26 1 5 GLY HA3 1 33 ILE HA . . 5.500 4.857 4.239 5.369 . 0 0 "[ . 1]" 1
27 1 5 GLY HA3 1 33 ILE MG . . 5.500 3.593 3.128 3.961 . 0 0 "[ . 1]" 1
28 1 6 VAL H 1 7 ARG H . . 5.500 4.349 4.210 4.427 . 0 0 "[ . 1]" 1
29 1 6 VAL H 1 8 VAL MG1 . . 5.500 4.707 4.365 5.270 . 0 0 "[ . 1]" 1
30 1 6 VAL H 1 31 MET HA . . 5.500 3.514 3.352 3.665 . 0 0 "[ . 1]" 1
31 1 6 VAL H 1 31 MET QB . . 5.340 3.361 3.188 3.625 . 0 0 "[ . 1]" 1
32 1 6 VAL H 1 31 MET ME . . 5.500 4.143 3.618 5.483 . 0 0 "[ . 1]" 1
33 1 6 VAL H 1 32 LYS H . . 5.500 2.689 2.453 3.035 . 0 0 "[ . 1]" 1
34 1 6 VAL H 1 32 LYS QD . . 5.500 5.033 4.245 5.475 . 0 0 "[ . 1]" 1
35 1 6 VAL H 1 32 LYS HG3 . . 5.500 5.494 5.271 5.575 0.075 5 0 "[ . 1]" 1
36 1 6 VAL H 1 33 ILE MG . . 5.500 4.327 3.991 4.668 . 0 0 "[ . 1]" 1
37 1 6 VAL HA 1 7 ARG QB . . 5.340 4.300 4.000 4.508 . 0 0 "[ . 1]" 1
38 1 6 VAL HA 1 31 MET ME . . 5.500 3.987 3.275 5.150 . 0 0 "[ . 1]" 1
39 1 6 VAL HA 1 61 LYS QD . . 5.500 5.437 4.805 5.577 0.077 5 0 "[ . 1]" 1
40 1 6 VAL HB 1 7 ARG H . . 5.500 4.077 3.212 4.413 . 0 0 "[ . 1]" 1
41 1 6 VAL HB 1 31 MET HA . . 5.500 4.952 4.524 5.570 0.070 9 0 "[ . 1]" 1
42 1 6 VAL HB 1 32 LYS H . . 5.500 3.611 2.924 5.076 . 0 0 "[ . 1]" 1
43 1 6 VAL HB 1 32 LYS QE . . 5.340 3.162 2.261 5.029 . 0 0 "[ . 1]" 1
44 1 6 VAL QG 1 7 ARG H . . 5.500 3.043 2.671 3.542 . 0 0 "[ . 1]" 1
45 1 6 VAL QG 1 7 ARG QG . . 5.340 4.558 3.366 5.428 0.088 5 0 "[ . 1]" 1
46 1 6 VAL QG 1 31 MET HA . . 5.500 4.570 3.983 4.854 . 0 0 "[ . 1]" 1
47 1 6 VAL QG 1 32 LYS H . . 5.500 3.644 2.780 3.999 . 0 0 "[ . 1]" 1
48 1 6 VAL QG 1 32 LYS QE . . 5.340 2.236 1.816 2.880 . 0 0 "[ . 1]" 1
49 1 6 VAL QG 1 34 SER H . . 5.500 5.340 4.957 5.616 0.116 8 0 "[ . 1]" 1
50 1 6 VAL QG 1 61 LYS QB . . 5.500 4.329 3.608 5.115 . 0 0 "[ . 1]" 1
51 1 6 VAL QG 1 61 LYS QE . . 5.500 3.218 1.866 4.541 . 0 0 "[ . 1]" 1
52 1 6 VAL QG 1 61 LYS QG . . 5.340 2.891 2.231 3.869 . 0 0 "[ . 1]" 1
53 1 7 ARG H 1 7 ARG QD . . 5.500 2.661 1.831 4.217 . 0 0 "[ . 1]" 1
54 1 7 ARG H 1 7 ARG HG2 . . 5.500 3.514 2.133 4.413 . 0 0 "[ . 1]" 1
55 1 7 ARG H 1 7 ARG HG3 . . 5.500 4.041 3.619 4.642 . 0 0 "[ . 1]" 1
56 1 7 ARG H 1 8 VAL H . . 5.500 4.511 4.394 4.614 . 0 0 "[ . 1]" 1
57 1 7 ARG H 1 31 MET ME . . 5.500 3.329 2.691 4.042 . 0 0 "[ . 1]" 1
58 1 7 ARG HA 1 8 VAL HA . . 5.500 4.431 4.357 4.477 . 0 0 "[ . 1]" 1
59 1 7 ARG HA 1 8 VAL MG2 . . 5.500 3.789 3.455 4.065 . 0 0 "[ . 1]" 1
60 1 7 ARG HA 1 30 LEU H . . 5.500 4.520 4.011 5.564 0.064 7 0 "[ . 1]" 1
61 1 7 ARG HA 1 31 MET HA . . 5.500 2.971 2.474 3.569 . 0 0 "[ . 1]" 1
62 1 7 ARG HA 1 31 MET ME . . 5.500 2.851 2.476 3.334 . 0 0 "[ . 1]" 1
63 1 7 ARG HB2 1 8 VAL MG1 . . 5.500 5.158 4.966 5.535 0.035 1 0 "[ . 1]" 1
64 1 7 ARG HB3 1 8 VAL MG1 . . 5.500 5.290 4.714 5.548 0.048 4 0 "[ . 1]" 1
65 1 7 ARG QD 1 8 VAL H . . 5.500 5.036 4.203 5.589 0.089 6 0 "[ . 1]" 1
66 1 7 ARG QD 1 31 MET ME . . 5.500 4.033 3.370 4.580 . 0 0 "[ . 1]" 1
67 1 7 ARG QD 1 61 LYS QB . . 5.500 5.248 4.783 5.583 0.083 6 0 "[ . 1]" 1
68 1 7 ARG QD 1 62 VAL QG . . 5.440 3.461 1.884 4.514 . 0 0 "[ . 1]" 1
69 1 7 ARG QG 1 8 VAL MG1 . . 5.340 4.501 4.083 4.698 . 0 0 "[ . 1]" 1
70 1 7 ARG QG 1 61 LYS HA . . 5.340 4.742 3.972 5.410 0.070 10 0 "[ . 1]" 1
71 1 7 ARG QG 1 62 VAL H . . 5.340 3.496 2.782 4.561 . 0 0 "[ . 1]" 1
72 1 7 ARG QG 1 62 VAL HB . . 5.340 4.937 4.606 5.396 0.056 10 0 "[ . 1]" 1
73 1 7 ARG QG 1 62 VAL QG . . 5.280 2.517 2.080 3.076 . 0 0 "[ . 1]" 1
74 1 8 VAL H 1 30 LEU H . . 5.500 3.082 2.647 3.933 . 0 0 "[ . 1]" 1
75 1 8 VAL H 1 30 LEU QD . . 5.440 4.273 3.956 5.112 . 0 0 "[ . 1]" 1
76 1 8 VAL H 1 31 MET HA . . 5.500 3.698 3.520 3.850 . 0 0 "[ . 1]" 1
77 1 8 VAL H 1 31 MET QB . . 5.340 5.392 5.273 5.422 0.082 6 0 "[ . 1]" 1
78 1 8 VAL H 1 31 MET ME . . 5.500 4.494 3.827 4.962 . 0 0 "[ . 1]" 1
79 1 8 VAL H 1 32 LYS H . . 5.500 4.411 4.075 4.861 . 0 0 "[ . 1]" 1
80 1 8 VAL HA 1 59 VAL QG . . 5.440 4.246 3.644 5.006 . 0 0 "[ . 1]" 1
81 1 8 VAL HA 1 61 LYS HA . . 5.500 2.295 2.136 2.631 . 0 0 "[ . 1]" 1
82 1 8 VAL HA 1 62 VAL H . . 5.500 3.197 2.913 3.499 . 0 0 "[ . 1]" 1
83 1 8 VAL HA 1 62 VAL QG . . 5.440 2.727 2.260 3.179 . 0 0 "[ . 1]" 1
84 1 8 VAL HB 1 9 ARG H . . 5.500 2.774 2.450 3.360 . 0 0 "[ . 1]" 1
85 1 8 VAL HB 1 59 VAL QG . . 5.440 2.361 2.004 3.213 . 0 0 "[ . 1]" 1
86 1 8 VAL HB 1 60 GLU H . . 5.500 3.262 2.920 3.568 . 0 0 "[ . 1]" 1
87 1 8 VAL HB 1 61 LYS H . . 5.500 4.627 4.057 5.197 . 0 0 "[ . 1]" 1
88 1 8 VAL HB 1 61 LYS QG . . 5.340 4.412 3.612 5.174 . 0 0 "[ . 1]" 1
89 1 8 VAL MG1 1 9 ARG H . . 5.500 3.866 3.647 4.219 . 0 0 "[ . 1]" 1
90 1 8 VAL MG1 1 31 MET HA . . 5.500 4.486 4.200 4.935 . 0 0 "[ . 1]" 1
91 1 8 VAL MG1 1 31 MET ME . . 5.500 5.384 5.023 5.609 0.109 2 0 "[ . 1]" 1
92 1 8 VAL MG1 1 32 LYS H . . 5.500 3.688 3.229 4.176 . 0 0 "[ . 1]" 1
93 1 8 VAL MG1 1 61 LYS H . . 5.500 3.784 3.267 4.545 . 0 0 "[ . 1]" 1
94 1 8 VAL MG1 1 61 LYS HA . . 5.500 2.256 2.076 2.630 . 0 0 "[ . 1]" 1
95 1 8 VAL MG1 1 61 LYS QB . . 5.500 3.524 2.947 3.927 . 0 0 "[ . 1]" 1
96 1 8 VAL MG1 1 62 VAL H . . 5.500 3.952 3.657 4.115 . 0 0 "[ . 1]" 1
97 1 8 VAL MG1 1 62 VAL HB . . 5.500 5.433 5.302 5.563 0.063 9 0 "[ . 1]" 1
98 1 8 VAL MG2 1 9 ARG H . . 5.500 3.661 3.151 4.070 . 0 0 "[ . 1]" 1
99 1 8 VAL MG2 1 29 GLU HA . . 5.500 4.374 3.966 4.616 . 0 0 "[ . 1]" 1
100 1 8 VAL MG2 1 30 LEU H . . 5.500 3.134 2.712 3.320 . 0 0 "[ . 1]" 1
101 1 8 VAL MG2 1 30 LEU MD1 . . 5.500 2.503 1.982 3.266 . 0 0 "[ . 1]" 1
102 1 8 VAL MG2 1 30 LEU MD2 . . 5.500 3.029 2.658 3.612 . 0 0 "[ . 1]" 1
103 1 8 VAL MG2 1 31 MET HA . . 5.500 3.646 3.157 3.965 . 0 0 "[ . 1]" 1
104 1 8 VAL MG2 1 31 MET ME . . 5.500 5.303 4.579 5.577 0.077 5 0 "[ . 1]" 1
105 1 8 VAL MG2 1 32 LYS H . . 5.500 3.193 2.603 3.810 . 0 0 "[ . 1]" 1
106 1 8 VAL MG2 1 32 LYS HB2 . . 5.500 3.231 2.644 4.051 . 0 0 "[ . 1]" 1
107 1 8 VAL MG2 1 54 TYR QE . . 4.020 3.258 2.810 3.551 . 0 0 "[ . 1]" 1
108 1 8 VAL MG2 1 59 VAL HB . . 5.500 3.199 2.523 4.160 . 0 0 "[ . 1]" 1
109 1 8 VAL MG2 1 59 VAL MG1 . . 5.500 3.038 2.121 3.555 . 0 0 "[ . 1]" 1
110 1 8 VAL MG2 1 59 VAL MG2 . . 5.500 2.125 1.988 2.297 . 0 0 "[ . 1]" 1
111 1 8 VAL MG2 1 60 GLU H . . 5.500 4.291 3.816 4.841 . 0 0 "[ . 1]" 1
112 1 8 VAL MG2 1 61 LYS HA . . 5.500 4.559 4.264 4.781 . 0 0 "[ . 1]" 1
113 1 9 ARG H 1 9 ARG QD . . 5.500 4.866 4.351 5.103 . 0 0 "[ . 1]" 1
114 1 9 ARG H 1 59 VAL HA . . 5.500 4.821 4.382 5.557 0.057 10 0 "[ . 1]" 1
115 1 9 ARG H 1 59 VAL QG . . 5.440 3.764 2.696 4.761 . 0 0 "[ . 1]" 1
116 1 9 ARG H 1 60 GLU H . . 5.500 2.907 2.572 3.811 . 0 0 "[ . 1]" 1
117 1 9 ARG H 1 61 LYS HA . . 5.500 3.646 3.523 3.948 . 0 0 "[ . 1]" 1
118 1 9 ARG H 1 61 LYS QG . . 5.340 5.246 4.717 5.412 0.072 9 0 "[ . 1]" 1
119 1 9 ARG H 1 62 VAL H . . 5.500 4.514 3.899 4.951 . 0 0 "[ . 1]" 1
120 1 9 ARG H 1 62 VAL QG . . 5.440 3.222 2.735 3.631 . 0 0 "[ . 1]" 1
121 1 9 ARG HA 1 10 ALA MB . . 5.500 3.988 3.807 4.145 . 0 0 "[ . 1]" 1
122 1 9 ARG HA 1 28 GLU H . . 5.500 5.248 4.906 5.565 0.065 9 0 "[ . 1]" 1
123 1 9 ARG HA 1 29 GLU H . . 5.500 4.848 4.365 5.222 . 0 0 "[ . 1]" 1
124 1 9 ARG HA 1 29 GLU HA . . 5.500 2.436 2.077 2.709 . 0 0 "[ . 1]" 1
125 1 9 ARG HA 1 29 GLU QB . . 5.500 4.253 4.029 4.599 . 0 0 "[ . 1]" 1
126 1 9 ARG HA 1 29 GLU QG . . 5.340 2.980 2.367 3.406 . 0 0 "[ . 1]" 1
127 1 9 ARG HA 1 30 LEU H . . 5.500 3.715 3.296 4.073 . 0 0 "[ . 1]" 1
128 1 9 ARG HA 1 30 LEU QD . . 5.440 3.450 3.067 4.129 . 0 0 "[ . 1]" 1
129 1 9 ARG QB 1 29 GLU QB . . 5.340 4.558 4.272 4.908 . 0 0 "[ . 1]" 1
130 1 9 ARG QB 1 29 GLU QG . . 5.180 2.706 2.286 3.062 . 0 0 "[ . 1]" 1
131 1 9 ARG QB 1 62 VAL QG . . 4.530 2.080 1.964 2.247 . 0 0 "[ . 1]" 1
132 1 9 ARG HB2 1 62 VAL HA . . 5.500 5.326 4.956 5.557 0.057 10 0 "[ . 1]" 1
133 1 9 ARG HB3 1 62 VAL HA . . 5.500 5.272 4.583 5.548 0.048 9 0 "[ . 1]" 1
134 1 9 ARG QD 1 27 GLY H . . 5.500 4.433 2.874 5.330 . 0 0 "[ . 1]" 1
135 1 9 ARG QD 1 27 GLY HA2 . . 5.500 2.740 2.080 4.073 . 0 0 "[ . 1]" 1
136 1 9 ARG QD 1 27 GLY HA3 . . 5.500 3.974 3.128 5.535 0.035 3 0 "[ . 1]" 1
137 1 9 ARG QD 1 29 GLU QB . . 5.500 5.193 4.682 5.594 0.094 7 0 "[ . 1]" 1
138 1 9 ARG QD 1 62 VAL QG . . 5.440 2.655 2.197 4.299 . 0 0 "[ . 1]" 1
139 1 9 ARG QG 1 29 GLU H . . 5.500 4.503 3.733 5.009 . 0 0 "[ . 1]" 1
140 1 9 ARG QG 1 29 GLU HA . . 5.500 3.429 2.996 3.890 . 0 0 "[ . 1]" 1
141 1 9 ARG QG 1 29 GLU QG . . 5.340 2.571 2.108 3.454 . 0 0 "[ . 1]" 1
142 1 9 ARG QG 1 30 LEU H . . 5.500 5.213 4.853 5.505 0.005 1 0 "[ . 1]" 1
143 1 10 ALA H 1 11 LEU H . . 5.500 4.565 4.484 4.611 . 0 0 "[ . 1]" 1
144 1 10 ALA H 1 26 ALA HA . . 5.500 4.977 4.592 5.384 . 0 0 "[ . 1]" 1
145 1 10 ALA H 1 28 GLU H . . 5.500 3.822 3.525 4.315 . 0 0 "[ . 1]" 1
146 1 10 ALA H 1 28 GLU HB2 . . 5.500 5.033 3.813 5.557 0.057 3 0 "[ . 1]" 1
147 1 10 ALA H 1 28 GLU HB3 . . 5.500 4.410 3.868 5.403 . 0 0 "[ . 1]" 1
148 1 10 ALA H 1 29 GLU H . . 5.500 5.232 4.926 5.573 0.073 9 0 "[ . 1]" 1
149 1 10 ALA H 1 29 GLU HA . . 5.500 3.735 3.354 4.155 . 0 0 "[ . 1]" 1
150 1 10 ALA H 1 29 GLU HG2 . . 5.500 4.910 4.250 5.561 0.061 8 0 "[ . 1]" 1
151 1 10 ALA H 1 29 GLU HG3 . . 5.500 5.304 4.798 5.567 0.067 1 0 "[ . 1]" 1
152 1 10 ALA H 1 30 LEU QD . . 5.440 3.125 2.591 3.561 . 0 0 "[ . 1]" 1
153 1 10 ALA H 1 59 VAL HB . . 5.500 4.437 3.969 5.562 0.062 4 0 "[ . 1]" 1
154 1 10 ALA H 1 59 VAL MG1 . . 5.500 4.411 3.822 5.562 0.062 2 0 "[ . 1]" 1
155 1 10 ALA H 1 59 VAL MG2 . . 5.500 4.894 2.999 5.577 0.077 10 0 "[ . 1]" 1
156 1 10 ALA H 1 62 VAL QG . . 5.440 5.358 5.031 5.518 0.078 6 0 "[ . 1]" 1
157 1 10 ALA HA 1 11 LEU QB . . 5.340 4.294 4.068 4.536 . 0 0 "[ . 1]" 1
158 1 10 ALA HA 1 12 TYR H . . 5.500 3.724 3.518 3.932 . 0 0 "[ . 1]" 1
159 1 10 ALA HA 1 24 PHE QD . . 5.500 4.653 4.197 5.064 . 0 0 "[ . 1]" 1
160 1 10 ALA HA 1 24 PHE HZ . . 5.500 4.844 4.240 5.214 . 0 0 "[ . 1]" 1
161 1 10 ALA HA 1 27 GLY H . . 5.500 4.829 4.457 5.567 0.067 3 0 "[ . 1]" 1
162 1 10 ALA HA 1 59 VAL HA . . 5.500 2.304 2.043 2.665 . 0 0 "[ . 1]" 1
163 1 10 ALA HA 1 59 VAL QG . . 5.440 2.234 2.016 3.390 . 0 0 "[ . 1]" 1
164 1 10 ALA HA 1 60 GLU H . . 5.500 3.767 3.574 4.062 . 0 0 "[ . 1]" 1
165 1 10 ALA MB 1 11 LEU H . . 5.500 3.010 2.757 3.351 . 0 0 "[ . 1]" 1
166 1 10 ALA MB 1 12 TYR H . . 5.500 2.818 2.429 3.077 . 0 0 "[ . 1]" 1
167 1 10 ALA MB 1 13 ASP HA . . 5.500 4.205 3.874 4.633 . 0 0 "[ . 1]" 1
168 1 10 ALA MB 1 14 TYR H . . 5.500 4.405 4.072 4.743 . 0 0 "[ . 1]" 1
169 1 10 ALA MB 1 24 PHE HB2 . . 5.500 3.003 2.658 3.531 . 0 0 "[ . 1]" 1
170 1 10 ALA MB 1 24 PHE QD . . 5.500 2.312 2.032 2.548 . 0 0 "[ . 1]" 1
171 1 10 ALA MB 1 24 PHE QE . . 5.500 2.467 2.251 2.734 . 0 0 "[ . 1]" 1
172 1 10 ALA MB 1 24 PHE HZ . . 4.030 3.799 3.246 4.111 0.081 5 0 "[ . 1]" 1
173 1 10 ALA MB 1 25 LYS H . . 5.500 3.860 3.418 4.309 . 0 0 "[ . 1]" 1
174 1 10 ALA MB 1 25 LYS QB . . 5.340 4.796 4.496 5.283 . 0 0 "[ . 1]" 1
175 1 10 ALA MB 1 26 ALA HA . . 5.500 2.876 2.568 3.371 . 0 0 "[ . 1]" 1
176 1 10 ALA MB 1 27 GLY H . . 5.500 2.825 2.165 3.612 . 0 0 "[ . 1]" 1
177 1 10 ALA MB 1 27 GLY QA . . 5.340 4.225 3.299 4.968 . 0 0 "[ . 1]" 1
178 1 10 ALA MB 1 28 GLU H . . 5.500 3.035 2.296 3.912 . 0 0 "[ . 1]" 1
179 1 10 ALA MB 1 28 GLU HB2 . . 5.500 3.955 2.645 4.978 . 0 0 "[ . 1]" 1
180 1 10 ALA MB 1 28 GLU HB3 . . 5.500 3.625 2.977 4.770 . 0 0 "[ . 1]" 1
181 1 10 ALA MB 1 28 GLU QG . . 5.340 4.612 3.898 5.422 0.082 3 0 "[ . 1]" 1
182 1 10 ALA MB 1 30 LEU QD . . 5.440 2.507 2.148 2.842 . 0 0 "[ . 1]" 1
183 1 10 ALA MB 1 59 VAL HA . . 5.500 3.867 3.545 4.148 . 0 0 "[ . 1]" 1
184 1 10 ALA MB 1 59 VAL HB . . 5.500 3.771 3.482 4.401 . 0 0 "[ . 1]" 1
185 1 10 ALA MB 1 59 VAL QG . . 5.440 2.485 2.104 3.328 . 0 0 "[ . 1]" 1
186 1 10 ALA MB 1 60 GLU H . . 5.500 5.115 4.940 5.311 . 0 0 "[ . 1]" 1
187 1 11 LEU H 1 11 LEU HG . . 5.500 2.849 2.381 4.235 . 0 0 "[ . 1]" 1
188 1 11 LEU H 1 12 TYR H . . 5.500 2.409 2.232 2.737 . 0 0 "[ . 1]" 1
189 1 11 LEU H 1 12 TYR HA . . 5.500 5.095 4.942 5.345 . 0 0 "[ . 1]" 1
190 1 11 LEU H 1 12 TYR QD . . 4.300 3.814 3.385 4.166 . 0 0 "[ . 1]" 1
191 1 11 LEU H 1 12 TYR QE . . 4.930 4.335 3.847 4.998 0.068 4 0 "[ . 1]" 1
192 1 11 LEU H 1 24 PHE HZ . . 5.500 5.366 4.594 5.558 0.058 9 0 "[ . 1]" 1
193 1 11 LEU H 1 59 VAL HA . . 5.500 2.514 2.305 2.866 . 0 0 "[ . 1]" 1
194 1 11 LEU H 1 59 VAL HB . . 5.500 4.317 4.024 5.056 . 0 0 "[ . 1]" 1
195 1 11 LEU H 1 59 VAL QG . . 5.440 3.472 3.160 4.127 . 0 0 "[ . 1]" 1
196 1 11 LEU H 1 60 GLU H . . 5.500 4.328 3.951 4.689 . 0 0 "[ . 1]" 1
197 1 11 LEU H 1 60 GLU QB . . 5.340 5.054 4.394 5.423 0.083 8 0 "[ . 1]" 1
198 1 11 LEU HA 1 26 ALA HA . . 5.500 4.631 3.928 5.250 . 0 0 "[ . 1]" 1
199 1 11 LEU HA 1 27 GLY H . . 5.500 4.302 3.681 4.936 . 0 0 "[ . 1]" 1
200 1 11 LEU QB 1 12 TYR QD . . 3.980 3.150 2.856 3.311 . 0 0 "[ . 1]" 1
201 1 11 LEU QB 1 12 TYR QE . . 3.610 2.724 2.354 2.954 . 0 0 "[ . 1]" 1
202 1 11 LEU QB 1 59 VAL HA . . 5.340 3.777 3.183 4.496 . 0 0 "[ . 1]" 1
203 1 11 LEU HB2 1 12 TYR H . . 5.500 3.265 2.866 3.756 . 0 0 "[ . 1]" 1
204 1 11 LEU HB3 1 12 TYR H . . 5.500 4.044 3.787 4.241 . 0 0 "[ . 1]" 1
205 1 11 LEU QD 1 12 TYR H . . 5.440 4.318 4.178 4.423 . 0 0 "[ . 1]" 1
206 1 11 LEU QD 1 12 TYR QD . . 4.500 4.249 3.933 4.454 . 0 0 "[ . 1]" 1
207 1 11 LEU QD 1 12 TYR QE . . 3.760 3.256 2.873 3.859 0.099 3 0 "[ . 1]" 1
208 1 11 LEU QD 1 59 VAL H . . 5.440 4.382 2.943 5.523 0.083 2 0 "[ . 1]" 1
209 1 11 LEU QD 1 59 VAL HA . . 5.440 3.292 2.592 4.373 . 0 0 "[ . 1]" 1
210 1 11 LEU QD 1 59 VAL QG . . 5.370 4.155 3.813 4.476 . 0 0 "[ . 1]" 1
211 1 11 LEU QD 1 60 GLU H . . 5.440 3.422 2.499 3.956 . 0 0 "[ . 1]" 1
212 1 11 LEU QD 1 60 GLU HA . . 5.440 4.219 3.900 4.627 . 0 0 "[ . 1]" 1
213 1 11 LEU QD 1 60 GLU QG . . 4.850 3.011 2.135 3.683 . 0 0 "[ . 1]" 1
214 1 11 LEU MD1 1 60 GLU HB2 . . 5.500 2.793 2.112 4.138 . 0 0 "[ . 1]" 1
215 1 11 LEU MD1 1 60 GLU HB3 . . 5.500 3.178 2.296 4.222 . 0 0 "[ . 1]" 1
216 1 11 LEU MD2 1 60 GLU HB2 . . 5.500 3.419 2.240 4.591 . 0 0 "[ . 1]" 1
217 1 11 LEU MD2 1 60 GLU HB3 . . 5.500 3.485 2.154 4.320 . 0 0 "[ . 1]" 1
218 1 11 LEU HG 1 59 VAL HA . . 5.500 3.362 2.422 5.041 . 0 0 "[ . 1]" 1
219 1 11 LEU HG 1 60 GLU H . . 5.500 3.771 3.013 5.036 . 0 0 "[ . 1]" 1
220 1 12 TYR H 1 12 TYR QD . . 3.320 2.894 2.429 3.189 . 0 0 "[ . 1]" 1
221 1 12 TYR H 1 13 ASP H . . 5.500 4.372 4.297 4.449 . 0 0 "[ . 1]" 1
222 1 12 TYR H 1 26 ALA HA . . 5.500 3.808 3.470 4.467 . 0 0 "[ . 1]" 1
223 1 12 TYR H 1 27 GLY H . . 5.500 4.833 4.395 5.520 0.020 9 0 "[ . 1]" 1
224 1 12 TYR H 1 58 TYR QB . . 5.500 3.856 3.376 4.503 . 0 0 "[ . 1]" 1
225 1 12 TYR H 1 59 VAL HA . . 5.500 4.669 4.472 4.905 . 0 0 "[ . 1]" 1
226 1 12 TYR H 1 59 VAL QG . . 5.440 4.504 4.075 5.037 . 0 0 "[ . 1]" 1
227 1 12 TYR HA 1 26 ALA HA . . 5.500 3.983 3.148 4.672 . 0 0 "[ . 1]" 1
228 1 12 TYR HA 1 26 ALA MB . . 5.500 2.880 2.064 3.860 . 0 0 "[ . 1]" 1
229 1 12 TYR QB 1 14 TYR QE . . 3.700 3.606 3.260 3.789 0.089 2 0 "[ . 1]" 1
230 1 12 TYR QB 1 58 TYR QD . . 4.500 2.758 2.261 3.996 . 0 0 "[ . 1]" 1
231 1 12 TYR HB2 1 13 ASP H . . 5.500 3.044 2.622 3.406 . 0 0 "[ . 1]" 1
232 1 12 TYR HB2 1 14 TYR QE . . 4.560 4.126 3.346 4.628 0.068 3 0 "[ . 1]" 1
233 1 12 TYR HB3 1 13 ASP H . . 5.500 2.633 2.484 3.145 . 0 0 "[ . 1]" 1
234 1 12 TYR HB3 1 14 TYR QE . . 4.560 4.111 3.712 4.630 0.070 8 0 "[ . 1]" 1
235 1 12 TYR QD 1 13 ASP H . . 4.330 4.378 4.206 4.414 0.084 10 0 "[ . 1]" 1
236 1 12 TYR QD 1 58 TYR HA . . 5.090 2.762 2.207 4.112 . 0 0 "[ . 1]" 1
237 1 12 TYR QD 1 58 TYR QB . . 4.020 2.594 2.254 2.978 . 0 0 "[ . 1]" 1
238 1 12 TYR QD 2 11 ILE MD . . 4.500 3.464 2.417 4.589 0.089 6 0 "[ . 1]" 1
239 1 12 TYR QD 2 11 ILE HG12 . . 3.500 3.524 3.272 3.590 0.090 9 0 "[ . 1]" 1
240 1 12 TYR QD 2 12 LEU MD2 . . 3.500 3.537 2.975 3.617 0.117 8 0 "[ . 1]" 1
241 1 12 TYR QE 1 58 TYR QB . . 4.580 3.904 2.602 4.668 0.088 2 0 "[ . 1]" 1
242 1 12 TYR QE 2 11 ILE MD . . 3.500 3.149 2.201 3.605 0.105 3 0 "[ . 1]" 1
243 1 12 TYR QE 2 12 LEU HA . . 6.000 4.803 3.388 6.045 0.045 6 0 "[ . 1]" 1
244 1 12 TYR QE 2 12 LEU HG . . 4.500 4.345 3.732 4.972 0.472 6 0 "[ . 1]" 1
245 1 13 ASP H 1 26 ALA H . . 5.500 4.574 3.587 5.302 . 0 0 "[ . 1]" 1
246 1 13 ASP H 1 26 ALA MB . . 5.500 3.181 2.552 4.260 . 0 0 "[ . 1]" 1
247 1 13 ASP HA 1 25 LYS HA . . 5.500 2.771 2.167 3.607 . 0 0 "[ . 1]" 1
248 1 13 ASP HA 1 26 ALA H . . 5.500 3.030 2.584 3.518 . 0 0 "[ . 1]" 1
249 1 13 ASP QB 1 25 LYS HA . . 5.340 3.223 2.276 3.882 . 0 0 "[ . 1]" 1
250 1 13 ASP QB 1 25 LYS QG . . 5.340 3.753 2.376 4.792 . 0 0 "[ . 1]" 1
251 1 13 ASP QB 1 26 ALA MB . . 5.340 2.660 2.108 4.063 . 0 0 "[ . 1]" 1
252 1 13 ASP HB2 1 14 TYR H . . 5.500 4.173 3.793 4.574 . 0 0 "[ . 1]" 1
253 1 13 ASP HB2 1 26 ALA H . . 5.500 3.393 2.180 4.352 . 0 0 "[ . 1]" 1
254 1 13 ASP HB3 1 14 TYR H . . 5.500 4.390 3.892 4.653 . 0 0 "[ . 1]" 1
255 1 13 ASP HB3 1 26 ALA H . . 5.500 3.014 2.041 4.194 . 0 0 "[ . 1]" 1
256 1 14 TYR H 1 14 TYR QD . . 3.880 3.565 3.307 3.759 . 0 0 "[ . 1]" 1
257 1 14 TYR H 1 15 THR H . . 5.500 4.439 4.381 4.476 . 0 0 "[ . 1]" 1
258 1 14 TYR H 1 24 PHE H . . 5.500 4.149 3.753 4.825 . 0 0 "[ . 1]" 1
259 1 14 TYR H 1 24 PHE QD . . 4.010 3.277 2.689 3.714 . 0 0 "[ . 1]" 1
260 1 14 TYR H 1 24 PHE QE . . 4.500 3.055 2.395 3.651 . 0 0 "[ . 1]" 1
261 1 14 TYR H 1 25 LYS HA . . 5.500 3.959 3.525 4.293 . 0 0 "[ . 1]" 1
262 1 14 TYR H 1 25 LYS QD . . 5.340 5.019 4.474 5.404 0.064 1 0 "[ . 1]" 1
263 1 14 TYR H 1 26 ALA H . . 5.500 5.084 4.666 5.566 0.066 9 0 "[ . 1]" 1
264 1 14 TYR QB 1 16 GLY H . . 5.340 3.648 3.410 3.763 . 0 0 "[ . 1]" 1
265 1 14 TYR QB 1 24 PHE QE . . 3.790 3.131 2.602 3.879 0.089 2 0 "[ . 1]" 1
266 1 14 TYR QB 1 24 PHE HZ . . 4.250 3.586 3.009 4.331 0.081 2 0 "[ . 1]" 1
267 1 14 TYR QB 1 58 TYR QB . . 5.340 3.303 2.746 3.550 . 0 0 "[ . 1]" 1
268 1 14 TYR QB 1 58 TYR QD . . 3.320 2.825 2.765 2.915 . 0 0 "[ . 1]" 1
269 1 14 TYR QB 1 58 TYR QE . . 3.930 3.863 3.660 4.010 0.080 4 0 "[ . 1]" 1
270 1 14 TYR HB2 1 15 THR H . . 5.500 4.197 4.057 4.382 . 0 0 "[ . 1]" 1
271 1 14 TYR HB2 1 24 PHE H . . 5.500 5.522 5.430 5.574 0.074 6 0 "[ . 1]" 1
272 1 14 TYR HB2 1 58 TYR QD . . 3.960 2.886 2.823 2.989 . 0 0 "[ . 1]" 1
273 1 14 TYR HB3 1 15 THR H . . 5.500 2.942 2.712 3.250 . 0 0 "[ . 1]" 1
274 1 14 TYR HB3 1 24 PHE H . . 5.500 5.453 5.245 5.566 0.066 5 0 "[ . 1]" 1
275 1 14 TYR HB3 1 58 TYR QD . . 3.960 4.016 3.909 4.047 0.087 6 0 "[ . 1]" 1
276 1 14 TYR QD 1 15 THR H . . 5.500 3.618 3.342 3.924 . 0 0 "[ . 1]" 1
277 1 14 TYR QD 1 16 GLY H . . 5.500 5.014 4.916 5.166 . 0 0 "[ . 1]" 1
278 1 14 TYR QD 1 16 GLY HA2 . . 5.500 5.481 5.144 5.574 0.074 3 0 "[ . 1]" 1
279 1 14 TYR QD 2 6 PRO QG . . 3.500 3.289 2.668 3.580 0.080 10 0 "[ . 1]" 1
280 1 15 THR H 1 24 PHE H . . 5.500 5.243 4.987 5.567 0.067 7 0 "[ . 1]" 1
281 1 15 THR HA 1 23 SER HA . . 5.500 2.227 2.062 2.540 . 0 0 "[ . 1]" 1
282 1 15 THR HA 1 23 SER QB . . 5.340 3.213 2.248 3.646 . 0 0 "[ . 1]" 1
283 1 15 THR HA 1 24 PHE H . . 5.500 2.998 2.703 3.272 . 0 0 "[ . 1]" 1
284 1 15 THR HB 1 16 GLY H . . 5.500 4.536 4.438 4.578 . 0 0 "[ . 1]" 1
285 1 15 THR MG 1 16 GLY H . . 5.500 4.319 3.599 4.451 . 0 0 "[ . 1]" 1
286 1 15 THR MG 1 17 GLN HA . . 5.500 5.533 5.334 5.591 0.091 9 0 "[ . 1]" 1
287 1 16 GLY H 1 17 GLN H . . 5.500 4.653 4.612 4.744 . 0 0 "[ . 1]" 1
288 1 16 GLY H 1 23 SER QB . . 5.340 4.649 3.526 5.418 0.078 8 0 "[ . 1]" 1
289 1 16 GLY HA2 1 18 GLU H . . 5.500 4.453 4.250 4.568 . 0 0 "[ . 1]" 1
290 1 16 GLY HA2 1 21 GLU QB . . 5.340 2.957 2.192 3.394 . 0 0 "[ . 1]" 1
291 1 16 GLY HA3 1 18 GLU H . . 5.500 3.398 3.131 3.712 . 0 0 "[ . 1]" 1
292 1 16 GLY HA3 1 21 GLU H . . 5.500 4.679 4.109 4.989 . 0 0 "[ . 1]" 1
293 1 16 GLY HA3 1 21 GLU QB . . 5.340 2.269 1.990 2.574 . 0 0 "[ . 1]" 1
294 1 17 GLN H 1 17 GLN HG2 . . 5.500 4.755 3.740 5.209 . 0 0 "[ . 1]" 1
295 1 17 GLN H 1 17 GLN HG3 . . 5.500 4.571 2.470 5.110 . 0 0 "[ . 1]" 1
296 1 17 GLN H 1 18 GLU H . . 5.500 1.778 1.661 2.028 . 0 0 "[ . 1]" 1
297 1 17 GLN H 1 21 GLU QB . . 5.340 2.692 2.114 3.248 . 0 0 "[ . 1]" 1
298 1 17 GLN HA 1 17 GLN HE21 . . 5.500 3.165 2.299 4.643 . 0 0 "[ . 1]" 1
299 1 17 GLN HA 1 17 GLN HE22 . . 5.500 3.949 3.149 5.550 0.050 8 0 "[ . 1]" 1
300 1 17 GLN HA 1 18 GLU QB . . 5.340 4.895 4.560 5.406 0.066 1 0 "[ . 1]" 1
301 1 17 GLN QB 1 18 GLU HA . . 5.340 4.744 4.504 5.041 . 0 0 "[ . 1]" 1
302 1 17 GLN QG 1 18 GLU H . . 5.340 4.498 3.052 5.065 . 0 0 "[ . 1]" 1
303 1 18 GLU H 1 19 ALA MB . . 5.500 5.443 5.319 5.548 0.048 9 0 "[ . 1]" 1
304 1 18 GLU H 1 20 ASP H . . 5.500 4.217 3.812 4.799 . 0 0 "[ . 1]" 1
305 1 18 GLU H 1 21 GLU H . . 5.500 3.984 3.464 4.638 . 0 0 "[ . 1]" 1
306 1 18 GLU H 1 21 GLU HA . . 5.500 5.460 5.216 5.570 0.070 10 0 "[ . 1]" 1
307 1 18 GLU H 1 21 GLU HB2 . . 5.500 3.183 2.505 4.198 . 0 0 "[ . 1]" 1
308 1 18 GLU H 1 21 GLU HB3 . . 5.500 3.956 3.505 4.211 . 0 0 "[ . 1]" 1
309 1 18 GLU H 1 21 GLU QG . . 5.500 2.539 1.689 3.901 . 0 0 "[ . 1]" 1
310 1 18 GLU HA 1 19 ALA MB . . 5.500 4.157 4.058 4.211 . 0 0 "[ . 1]" 1
311 1 18 GLU QB 1 19 ALA MB . . 5.340 4.024 3.663 4.369 . 0 0 "[ . 1]" 1
312 1 18 GLU HB2 1 20 ASP H . . 5.500 3.824 2.614 4.530 . 0 0 "[ . 1]" 1
313 1 18 GLU HB2 1 21 GLU H . . 5.500 4.970 3.542 5.564 0.064 9 0 "[ . 1]" 1
314 1 18 GLU HB3 1 20 ASP H . . 5.500 2.669 2.213 3.320 . 0 0 "[ . 1]" 1
315 1 18 GLU HB3 1 21 GLU H . . 5.500 4.266 3.608 5.082 . 0 0 "[ . 1]" 1
316 1 18 GLU QG 1 19 ALA H . . 5.500 2.731 1.702 4.113 . 0 0 "[ . 1]" 1
317 1 18 GLU QG 1 20 ASP H . . 5.500 3.916 2.331 4.718 . 0 0 "[ . 1]" 1
318 1 19 ALA H 1 20 ASP H . . 5.500 2.753 2.375 3.296 . 0 0 "[ . 1]" 1
319 1 19 ALA HA 1 21 GLU H . . 5.500 3.836 3.476 4.212 . 0 0 "[ . 1]" 1
320 1 19 ALA MB 1 20 ASP H . . 5.500 3.209 2.726 3.464 . 0 0 "[ . 1]" 1
321 1 19 ALA MB 1 21 GLU H . . 5.500 4.595 4.280 4.949 . 0 0 "[ . 1]" 1
322 1 20 ASP H 1 21 GLU H . . 5.500 2.517 2.098 2.984 . 0 0 "[ . 1]" 1
323 1 20 ASP HB2 1 21 GLU H . . 5.500 4.108 3.572 4.592 . 0 0 "[ . 1]" 1
324 1 20 ASP HB3 1 21 GLU H . . 5.500 4.059 3.543 4.509 . 0 0 "[ . 1]" 1
325 1 21 GLU H 1 22 LEU H . . 5.500 4.439 4.328 4.502 . 0 0 "[ . 1]" 1
326 1 21 GLU H 1 53 LEU H . . 5.500 4.903 4.549 5.319 . 0 0 "[ . 1]" 1
327 1 21 GLU H 1 53 LEU QD . . 5.440 5.501 5.372 5.552 0.112 8 0 "[ . 1]" 1
328 1 21 GLU HA 1 43 LYS QG . . 5.500 5.575 5.557 5.585 0.085 4 0 "[ . 1]" 1
329 1 21 GLU HA 1 52 GLY QA . . 5.340 3.222 2.810 3.558 . 0 0 "[ . 1]" 1
330 1 21 GLU HA 1 53 LEU H . . 5.500 2.068 1.736 2.439 . 0 0 "[ . 1]" 1
331 1 21 GLU HA 1 53 LEU HB2 . . 5.500 2.617 2.313 2.935 . 0 0 "[ . 1]" 1
332 1 21 GLU QB 1 22 LEU HA . . 5.340 4.463 4.377 4.536 . 0 0 "[ . 1]" 1
333 1 21 GLU QB 1 41 TRP HH2 . . 3.810 2.857 2.366 3.203 . 0 0 "[ . 1]" 1
334 1 21 GLU QB 1 41 TRP HZ2 . . 5.340 4.516 3.741 4.985 . 0 0 "[ . 1]" 1
335 1 21 GLU QB 1 41 TRP HZ3 . . 4.880 3.333 3.048 3.674 . 0 0 "[ . 1]" 1
336 1 21 GLU HB2 1 41 TRP HH2 . . 4.410 3.576 2.719 4.064 . 0 0 "[ . 1]" 1
337 1 21 GLU HB3 1 41 TRP HH2 . . 4.410 3.010 2.583 3.353 . 0 0 "[ . 1]" 1
338 1 21 GLU QG 1 41 TRP HH2 . . 4.610 2.613 2.115 3.389 . 0 0 "[ . 1]" 1
339 1 21 GLU QG 1 53 LEU QD . . 5.440 3.729 2.620 5.063 . 0 0 "[ . 1]" 1
340 1 22 LEU H 1 22 LEU HG . . 5.500 3.808 2.618 4.564 . 0 0 "[ . 1]" 1
341 1 22 LEU H 1 23 SER H . . 5.500 4.562 4.518 4.602 . 0 0 "[ . 1]" 1
342 1 22 LEU H 1 52 GLY H . . 5.500 5.458 5.150 5.569 0.069 5 0 "[ . 1]" 1
343 1 22 LEU H 1 52 GLY HA2 . . 5.500 4.833 4.441 5.270 . 0 0 "[ . 1]" 1
344 1 22 LEU H 1 52 GLY HA3 . . 5.500 3.463 3.093 3.853 . 0 0 "[ . 1]" 1
345 1 22 LEU H 1 53 LEU H . . 5.500 3.038 2.422 3.495 . 0 0 "[ . 1]" 1
346 1 22 LEU HA 1 46 LEU QD . . 5.440 3.983 3.558 4.756 . 0 0 "[ . 1]" 1
347 1 22 LEU QB 1 53 LEU H . . 5.340 3.750 3.141 4.571 . 0 0 "[ . 1]" 1
348 1 22 LEU QB 1 54 TYR QD . . 4.160 3.899 3.659 4.206 0.046 8 0 "[ . 1]" 1
349 1 22 LEU HB2 1 23 SER H . . 5.500 4.012 3.701 4.375 . 0 0 "[ . 1]" 1
350 1 22 LEU HB2 1 24 PHE QD . . 5.500 4.936 3.861 5.576 0.076 4 0 "[ . 1]" 1
351 1 22 LEU HB3 1 23 SER H . . 5.500 3.075 2.319 4.011 . 0 0 "[ . 1]" 1
352 1 22 LEU HB3 1 24 PHE QD . . 5.500 3.961 3.450 4.299 . 0 0 "[ . 1]" 1
353 1 22 LEU QD 1 23 SER H . . 5.440 2.681 1.814 3.261 . 0 0 "[ . 1]" 1
354 1 22 LEU QD 1 30 LEU HB3 . . 5.440 3.778 2.777 4.198 . 0 0 "[ . 1]" 1
355 1 22 LEU QD 1 30 LEU QD . . 4.850 2.971 2.142 3.690 . 0 0 "[ . 1]" 1
356 1 22 LEU QD 1 31 MET H . . 5.440 4.734 4.088 5.034 . 0 0 "[ . 1]" 1
357 1 22 LEU QD 1 44 GLY H . . 5.440 2.846 2.473 3.557 . 0 0 "[ . 1]" 1
358 1 22 LEU QD 1 44 GLY HA3 . . 5.440 3.431 2.995 4.014 . 0 0 "[ . 1]" 1
359 1 22 LEU QD 1 46 LEU H . . 5.440 2.936 2.336 3.421 . 0 0 "[ . 1]" 1
360 1 22 LEU QD 1 46 LEU QD . . 4.560 1.900 1.659 2.072 . 0 0 "[ . 1]" 1
361 1 22 LEU QD 1 50 HIS H . . 5.440 4.410 4.134 4.631 . 0 0 "[ . 1]" 1
362 1 22 LEU QD 1 50 HIS QB . . 5.280 2.627 2.161 3.086 . 0 0 "[ . 1]" 1
363 1 22 LEU QD 1 50 HIS HD2 . . 5.440 2.845 2.092 5.492 0.052 1 0 "[ . 1]" 1
364 1 22 LEU QD 1 51 VAL H . . 5.440 3.421 3.194 4.045 . 0 0 "[ . 1]" 1
365 1 22 LEU QD 1 52 GLY QA . . 4.850 2.748 2.159 3.218 . 0 0 "[ . 1]" 1
366 1 22 LEU QD 1 54 TYR H . . 5.440 4.082 3.376 4.359 . 0 0 "[ . 1]" 1
367 1 22 LEU QD 1 54 TYR HB2 . . 5.440 3.515 2.779 3.947 . 0 0 "[ . 1]" 1
368 1 22 LEU QD 1 54 TYR HB3 . . 5.440 2.310 2.099 2.565 . 0 0 "[ . 1]" 1
369 1 22 LEU QD 1 54 TYR QD . . 3.420 2.657 2.290 3.234 . 0 0 "[ . 1]" 1
370 1 22 LEU MD1 1 24 PHE QD . . 5.500 4.774 3.513 5.542 0.042 6 0 "[ . 1]" 1
371 1 22 LEU MD1 1 45 ARG HA . . 5.500 3.305 2.815 3.783 . 0 0 "[ . 1]" 1
372 1 22 LEU MD1 1 46 LEU QB . . 5.500 3.608 2.695 4.898 . 0 0 "[ . 1]" 1
373 1 22 LEU MD1 1 46 LEU HG . . 5.500 3.844 2.900 4.848 . 0 0 "[ . 1]" 1
374 1 22 LEU MD1 1 51 VAL HA . . 5.500 2.954 2.234 3.613 . 0 0 "[ . 1]" 1
375 1 22 LEU MD1 1 52 GLY H . . 5.500 2.723 2.223 3.096 . 0 0 "[ . 1]" 1
376 1 22 LEU MD2 1 24 PHE QD . . 5.500 4.285 2.262 5.604 0.104 3 0 "[ . 1]" 1
377 1 22 LEU MD2 1 45 ARG HA . . 5.500 3.384 2.755 4.269 . 0 0 "[ . 1]" 1
378 1 22 LEU MD2 1 46 LEU QB . . 5.500 3.338 2.077 4.086 . 0 0 "[ . 1]" 1
379 1 22 LEU MD2 1 46 LEU HG . . 5.500 3.266 2.165 4.271 . 0 0 "[ . 1]" 1
380 1 22 LEU MD2 1 51 VAL HA . . 5.500 3.136 2.433 4.530 . 0 0 "[ . 1]" 1
381 1 22 LEU MD2 1 52 GLY H . . 5.500 3.064 2.016 4.495 . 0 0 "[ . 1]" 1
382 1 22 LEU HG 1 45 ARG HA . . 5.500 5.339 4.698 5.581 0.081 8 0 "[ . 1]" 1
383 1 22 LEU HG 1 52 GLY QA . . 5.340 3.503 2.110 5.045 . 0 0 "[ . 1]" 1
384 1 22 LEU HG 1 54 TYR HA . . 5.500 5.415 5.094 5.578 0.078 8 0 "[ . 1]" 1
385 1 23 SER H 1 24 PHE H . . 5.500 4.377 4.204 4.507 . 0 0 "[ . 1]" 1
386 1 23 SER H 1 24 PHE HB3 . . 5.500 4.866 4.389 5.305 . 0 0 "[ . 1]" 1
387 1 23 SER H 1 24 PHE QD . . 5.500 5.066 4.541 5.519 0.019 1 0 "[ . 1]" 1
388 1 23 SER H 1 46 LEU QB . . 5.500 5.386 4.390 5.590 0.090 7 0 "[ . 1]" 1
389 1 23 SER H 1 46 LEU MD1 . . 5.500 3.086 2.620 3.587 . 0 0 "[ . 1]" 1
390 1 23 SER H 1 46 LEU MD2 . . 5.500 4.177 2.845 5.569 0.069 2 0 "[ . 1]" 1
391 1 23 SER H 1 46 LEU HG . . 5.500 5.299 4.805 5.573 0.073 9 0 "[ . 1]" 1
392 1 23 SER HB2 1 24 PHE H . . 5.500 3.895 2.912 4.476 . 0 0 "[ . 1]" 1
393 1 23 SER HB3 1 24 PHE H . . 5.500 4.069 3.366 4.384 . 0 0 "[ . 1]" 1
394 1 24 PHE H 1 24 PHE QD . . 3.420 3.312 3.107 3.409 . 0 0 "[ . 1]" 1
395 1 24 PHE H 1 24 PHE QE . . 4.630 4.523 4.212 4.713 0.083 2 0 "[ . 1]" 1
396 1 24 PHE H 1 46 LEU QD . . 5.440 4.385 4.005 4.911 . 0 0 "[ . 1]" 1
397 1 24 PHE H 1 55 PRO HD2 . . 5.500 5.560 5.485 5.579 0.079 3 0 "[ . 1]" 1
398 1 24 PHE HA 1 28 GLU QB . . 5.340 3.514 2.736 4.033 . 0 0 "[ . 1]" 1
399 1 24 PHE HA 1 30 LEU HB3 . . 5.500 5.567 5.559 5.573 0.073 7 0 "[ . 1]" 1
400 1 24 PHE HA 1 30 LEU QD . . 5.440 4.015 3.597 4.306 . 0 0 "[ . 1]" 1
401 1 24 PHE HA 1 46 LEU QD . . 5.440 2.934 2.482 3.910 . 0 0 "[ . 1]" 1
402 1 24 PHE HB2 1 25 LYS H . . 5.500 2.508 2.141 3.089 . 0 0 "[ . 1]" 1
403 1 24 PHE HB2 1 28 GLU H . . 5.500 4.604 4.393 4.940 . 0 0 "[ . 1]" 1
404 1 24 PHE HB2 1 28 GLU QB . . 5.340 2.553 2.321 3.057 . 0 0 "[ . 1]" 1
405 1 24 PHE HB2 1 30 LEU QD . . 5.440 2.517 2.154 2.830 . 0 0 "[ . 1]" 1
406 1 24 PHE HB2 1 46 LEU QD . . 5.440 3.599 2.980 5.038 . 0 0 "[ . 1]" 1
407 1 24 PHE HB3 1 25 LYS H . . 5.500 3.801 3.611 4.065 . 0 0 "[ . 1]" 1
408 1 24 PHE HB3 1 28 GLU QB . . 5.340 3.881 3.420 4.385 . 0 0 "[ . 1]" 1
409 1 24 PHE HB3 1 46 LEU QD . . 5.440 2.712 2.234 3.915 . 0 0 "[ . 1]" 1
410 1 24 PHE QD 1 25 LYS H . . 5.500 3.332 2.970 3.909 . 0 0 "[ . 1]" 1
411 1 24 PHE QD 1 25 LYS QD . . 5.340 4.962 4.670 5.346 0.006 3 0 "[ . 1]" 1
412 1 24 PHE QD 1 26 ALA H . . 5.500 4.778 4.481 5.064 . 0 0 "[ . 1]" 1
413 1 24 PHE QD 1 28 GLU QB . . 3.870 3.910 3.770 3.978 0.108 3 0 "[ . 1]" 1
414 1 24 PHE QD 1 30 LEU QD . . 3.140 2.410 2.077 2.742 . 0 0 "[ . 1]" 1
415 1 24 PHE QD 1 46 LEU QD . . 5.440 3.769 3.531 4.236 . 0 0 "[ . 1]" 1
416 1 24 PHE QD 1 54 TYR HA . . 5.500 4.395 4.111 4.522 . 0 0 "[ . 1]" 1
417 1 24 PHE QD 1 54 TYR HB2 . . 5.500 2.540 2.448 2.627 . 0 0 "[ . 1]" 1
418 1 24 PHE QD 1 54 TYR HB3 . . 3.380 3.443 3.414 3.461 0.081 3 0 "[ . 1]" 1
419 1 24 PHE QD 1 59 VAL QG . . 3.900 3.578 3.160 3.964 0.064 4 0 "[ . 1]" 1
420 1 24 PHE QE 1 30 LEU MD1 . . 4.680 3.425 2.839 4.053 . 0 0 "[ . 1]" 1
421 1 24 PHE QE 1 30 LEU QD . . 4.000 3.189 2.767 3.646 . 0 0 "[ . 1]" 1
422 1 24 PHE QE 1 30 LEU MD2 . . 4.680 3.907 3.553 4.135 . 0 0 "[ . 1]" 1
423 1 24 PHE QE 1 54 TYR HB2 . . 3.600 2.116 2.069 2.155 . 0 0 "[ . 1]" 1
424 1 24 PHE QE 1 54 TYR HB3 . . 3.760 3.806 3.740 3.832 0.072 1 0 "[ . 1]" 1
425 1 24 PHE QE 1 54 TYR QD . . 3.470 2.345 2.206 2.640 . 0 0 "[ . 1]" 1
426 1 24 PHE QE 1 54 TYR QE . . 4.900 4.477 4.264 4.785 . 0 0 "[ . 1]" 1
427 1 24 PHE QE 1 55 PRO HD2 . . 3.510 2.176 2.010 2.406 . 0 0 "[ . 1]" 1
428 1 24 PHE QE 1 58 TYR QB . . 3.860 2.906 2.661 3.162 . 0 0 "[ . 1]" 1
429 1 24 PHE QE 1 59 VAL HA . . 5.500 5.094 4.372 5.559 0.059 1 0 "[ . 1]" 1
430 1 24 PHE QE 1 59 VAL QG . . 3.600 2.806 2.462 3.428 . 0 0 "[ . 1]" 1
431 1 24 PHE HZ 1 30 LEU QD . . 5.050 4.377 3.953 4.951 . 0 0 "[ . 1]" 1
432 1 24 PHE HZ 1 54 TYR HB2 . . 4.510 4.536 4.454 4.567 0.057 9 0 "[ . 1]" 1
433 1 24 PHE HZ 1 55 PRO HB2 . . 4.860 4.751 4.509 4.928 0.068 7 0 "[ . 1]" 1
434 1 24 PHE HZ 1 55 PRO HD2 . . 3.690 3.371 3.127 3.653 . 0 0 "[ . 1]" 1
435 1 24 PHE HZ 1 58 TYR H . . 4.460 4.068 3.618 4.447 . 0 0 "[ . 1]" 1
436 1 24 PHE HZ 1 58 TYR QB . . 3.850 2.073 1.982 2.192 . 0 0 "[ . 1]" 1
437 1 24 PHE HZ 1 59 VAL H . . 5.500 4.841 4.164 5.418 . 0 0 "[ . 1]" 1
438 1 24 PHE HZ 1 59 VAL QG . . 3.510 2.864 2.217 3.578 0.068 4 0 "[ . 1]" 1
439 1 25 LYS H 1 25 LYS QD . . 5.340 3.594 2.891 4.512 . 0 0 "[ . 1]" 1
440 1 25 LYS H 1 26 ALA H . . 5.500 4.512 4.377 4.675 . 0 0 "[ . 1]" 1
441 1 25 LYS H 1 28 GLU H . . 5.500 3.663 3.173 4.061 . 0 0 "[ . 1]" 1
442 1 25 LYS H 1 28 GLU HA . . 5.500 4.807 4.519 5.021 . 0 0 "[ . 1]" 1
443 1 25 LYS H 1 28 GLU HB2 . . 5.500 2.275 1.680 2.643 . 0 0 "[ . 1]" 1
444 1 25 LYS H 1 28 GLU HB3 . . 5.500 2.593 1.945 3.365 . 0 0 "[ . 1]" 1
445 1 25 LYS H 1 28 GLU HG2 . . 5.500 3.300 2.486 4.147 . 0 0 "[ . 1]" 1
446 1 25 LYS H 1 28 GLU HG3 . . 5.500 3.550 1.791 4.606 . 0 0 "[ . 1]" 1
447 1 25 LYS H 1 30 LEU QD . . 5.440 4.321 3.727 4.974 . 0 0 "[ . 1]" 1
448 1 25 LYS H 1 46 LEU QD . . 5.440 4.349 3.789 5.511 0.071 3 0 "[ . 1]" 1
449 1 25 LYS HA 1 25 LYS HD2 . . 5.500 2.765 2.223 3.202 . 0 0 "[ . 1]" 1
450 1 25 LYS HA 1 25 LYS HD3 . . 5.500 3.349 2.100 3.958 . 0 0 "[ . 1]" 1
451 1 25 LYS HA 1 26 ALA MB . . 5.500 4.179 4.087 4.211 . 0 0 "[ . 1]" 1
452 1 25 LYS QB 1 28 GLU H . . 5.340 3.692 3.370 3.961 . 0 0 "[ . 1]" 1
453 1 25 LYS QB 1 28 GLU QB . . 5.180 2.789 2.088 3.712 . 0 0 "[ . 1]" 1
454 1 25 LYS HB2 1 26 ALA H . . 5.500 4.000 3.710 4.351 . 0 0 "[ . 1]" 1
455 1 25 LYS HB3 1 26 ALA H . . 5.500 2.723 2.505 3.237 . 0 0 "[ . 1]" 1
456 1 25 LYS QD 1 28 GLU QB . . 5.180 4.591 3.765 5.027 . 0 0 "[ . 1]" 1
457 1 25 LYS QG 1 26 ALA H . . 5.500 3.424 2.464 4.572 . 0 0 "[ . 1]" 1
458 1 26 ALA H 1 27 GLY H . . 5.500 4.526 4.483 4.610 . 0 0 "[ . 1]" 1
459 1 26 ALA HA 1 27 GLY QA . . 5.340 3.967 3.928 3.994 . 0 0 "[ . 1]" 1
460 1 26 ALA HA 1 28 GLU H . . 5.500 3.596 3.424 3.829 . 0 0 "[ . 1]" 1
461 1 26 ALA MB 1 27 GLY H . . 5.500 3.271 3.089 3.373 . 0 0 "[ . 1]" 1
462 1 26 ALA MB 1 27 GLY QA . . 5.340 3.832 3.745 3.877 . 0 0 "[ . 1]" 1
463 1 27 GLY H 1 28 GLU H . . 5.500 2.623 2.433 2.846 . 0 0 "[ . 1]" 1
464 1 28 GLU H 1 30 LEU QD . . 5.440 4.707 4.183 5.094 . 0 0 "[ . 1]" 1
465 1 28 GLU HA 1 47 LEU QD . . 5.440 4.317 3.398 5.459 0.019 4 0 "[ . 1]" 1
466 1 28 GLU QB 1 30 LEU QD . . 5.280 3.148 2.689 3.646 . 0 0 "[ . 1]" 1
467 1 28 GLU QB 1 47 LEU QD . . 5.280 4.396 3.563 5.401 0.121 4 0 "[ . 1]" 1
468 1 29 GLU H 1 29 GLU HG2 . . 5.500 4.034 3.803 4.299 . 0 0 "[ . 1]" 1
469 1 29 GLU H 1 29 GLU HG3 . . 5.500 3.088 2.757 3.286 . 0 0 "[ . 1]" 1
470 1 29 GLU H 1 30 LEU H . . 5.500 4.377 4.115 4.574 . 0 0 "[ . 1]" 1
471 1 29 GLU H 1 30 LEU QD . . 5.440 4.085 3.660 4.504 . 0 0 "[ . 1]" 1
472 1 29 GLU H 1 47 LEU QD . . 5.440 2.995 2.451 3.790 . 0 0 "[ . 1]" 1
473 1 29 GLU HA 1 30 LEU QD . . 5.440 3.004 2.691 3.356 . 0 0 "[ . 1]" 1
474 1 29 GLU HA 1 30 LEU HG . . 5.500 4.033 3.580 4.618 . 0 0 "[ . 1]" 1
475 1 29 GLU QB 1 30 LEU H . . 5.500 3.047 2.428 3.583 . 0 0 "[ . 1]" 1
476 1 29 GLU QG 1 47 LEU QD . . 5.280 4.266 3.970 4.528 . 0 0 "[ . 1]" 1
477 1 29 GLU HG2 1 30 LEU H . . 5.500 4.139 3.864 4.454 . 0 0 "[ . 1]" 1
478 1 29 GLU HG3 1 30 LEU H . . 5.500 4.987 4.672 5.240 . 0 0 "[ . 1]" 1
479 1 30 LEU H 1 30 LEU HG . . 5.500 2.363 2.112 2.997 . 0 0 "[ . 1]" 1
480 1 30 LEU H 1 31 MET H . . 5.500 4.425 4.303 4.571 . 0 0 "[ . 1]" 1
481 1 30 LEU H 1 46 LEU QD . . 5.440 4.841 3.662 5.526 0.086 6 0 "[ . 1]" 1
482 1 30 LEU HA 1 45 ARG H . . 5.500 5.261 4.868 5.548 0.048 2 0 "[ . 1]" 1
483 1 30 LEU HA 1 46 LEU MD1 . . 5.500 4.527 3.308 5.593 0.093 4 0 "[ . 1]" 1
484 1 30 LEU HA 1 46 LEU MD2 . . 5.500 4.075 2.231 5.551 0.051 3 0 "[ . 1]" 1
485 1 30 LEU HA 1 47 LEU H . . 5.500 3.579 3.255 4.111 . 0 0 "[ . 1]" 1
486 1 30 LEU HA 1 47 LEU QD . . 5.440 3.322 2.499 4.222 . 0 0 "[ . 1]" 1
487 1 30 LEU HA 1 47 LEU HG . . 5.500 5.492 5.066 5.570 0.070 1 0 "[ . 1]" 1
488 1 30 LEU HB2 1 31 MET H . . 5.500 2.599 2.329 3.130 . 0 0 "[ . 1]" 1
489 1 30 LEU HB2 1 32 LYS HB2 . . 5.500 5.572 5.555 5.578 0.078 9 0 "[ . 1]" 1
490 1 30 LEU HB2 1 46 LEU QD . . 5.440 3.437 3.046 4.020 . 0 0 "[ . 1]" 1
491 1 30 LEU HB2 1 54 TYR QE . . 4.830 4.765 4.347 4.894 0.064 7 0 "[ . 1]" 1
492 1 30 LEU HB3 1 31 MET H . . 5.500 3.640 3.333 3.955 . 0 0 "[ . 1]" 1
493 1 30 LEU HB3 1 46 LEU HA . . 5.500 3.052 2.660 3.489 . 0 0 "[ . 1]" 1
494 1 30 LEU HB3 1 46 LEU QD . . 5.440 2.449 2.156 3.327 . 0 0 "[ . 1]" 1
495 1 30 LEU QD 1 31 MET H . . 5.440 3.968 3.714 4.394 . 0 0 "[ . 1]" 1
496 1 30 LEU QD 1 32 LYS HB2 . . 5.440 4.174 3.692 4.798 . 0 0 "[ . 1]" 1
497 1 30 LEU QD 1 44 GLY H . . 5.440 5.216 4.837 5.518 0.078 5 0 "[ . 1]" 1
498 1 30 LEU QD 1 44 GLY HA2 . . 5.440 5.344 4.835 5.536 0.096 8 0 "[ . 1]" 1
499 1 30 LEU QD 1 44 GLY HA3 . . 5.440 3.968 3.417 4.194 . 0 0 "[ . 1]" 1
500 1 30 LEU QD 1 45 ARG H . . 5.440 4.718 4.240 4.963 . 0 0 "[ . 1]" 1
501 1 30 LEU QD 1 46 LEU QD . . 4.850 2.807 2.174 3.419 . 0 0 "[ . 1]" 1
502 1 30 LEU QD 1 47 LEU H . . 5.440 5.235 4.883 5.519 0.079 3 0 "[ . 1]" 1
503 1 30 LEU QD 1 54 TYR QD . . 3.520 2.801 2.556 3.112 . 0 0 "[ . 1]" 1
504 1 30 LEU QD 1 54 TYR QE . . 3.770 2.970 2.623 3.500 . 0 0 "[ . 1]" 1
505 1 30 LEU QD 1 59 VAL QG . . 4.850 2.077 1.855 2.331 . 0 0 "[ . 1]" 1
506 1 31 MET H 1 31 MET ME . . 5.500 4.775 4.540 5.037 . 0 0 "[ . 1]" 1
507 1 31 MET H 1 31 MET HG2 . . 5.500 2.967 2.461 3.542 . 0 0 "[ . 1]" 1
508 1 31 MET H 1 31 MET HG3 . . 5.500 3.375 2.656 4.096 . 0 0 "[ . 1]" 1
509 1 31 MET H 1 32 LYS H . . 5.500 4.202 4.117 4.303 . 0 0 "[ . 1]" 1
510 1 31 MET H 1 45 ARG H . . 5.500 3.203 2.882 3.407 . 0 0 "[ . 1]" 1
511 1 31 MET H 1 46 LEU QD . . 5.440 4.293 3.911 4.815 . 0 0 "[ . 1]" 1
512 1 31 MET H 1 46 LEU HG . . 5.500 5.125 4.511 5.565 0.065 9 0 "[ . 1]" 1
513 1 31 MET H 1 47 LEU QD . . 5.440 4.795 3.648 5.549 0.109 10 0 "[ . 1]" 1
514 1 31 MET HA 1 31 MET ME . . 5.500 3.171 2.707 3.607 . 0 0 "[ . 1]" 1
515 1 31 MET QB 1 33 ILE MG . . 5.340 3.085 2.963 3.359 . 0 0 "[ . 1]" 1
516 1 31 MET QB 1 45 ARG HA . . 5.340 5.353 5.127 5.425 0.085 9 0 "[ . 1]" 1
517 1 31 MET QB 1 45 ARG QB . . 5.180 3.051 2.783 3.314 . 0 0 "[ . 1]" 1
518 1 31 MET HB2 1 45 ARG H . . 5.500 3.503 3.406 3.627 . 0 0 "[ . 1]" 1
519 1 31 MET HB3 1 45 ARG H . . 5.500 4.787 4.341 4.948 . 0 0 "[ . 1]" 1
520 1 31 MET ME 1 32 LYS H . . 5.500 4.628 4.112 5.268 . 0 0 "[ . 1]" 1
521 1 31 MET ME 1 47 LEU QD . . 5.440 4.985 3.963 5.575 0.135 2 0 "[ . 1]" 1
522 1 31 MET QG 1 47 LEU QD . . 4.850 4.003 2.514 4.935 0.085 6 0 "[ . 1]" 1
523 1 31 MET HG2 1 33 ILE MG . . 5.500 5.523 5.198 5.588 0.088 1 0 "[ . 1]" 1
524 1 31 MET HG3 1 33 ILE MG . . 5.500 5.099 4.955 5.386 . 0 0 "[ . 1]" 1
525 1 32 LYS H 1 32 LYS QD . . 5.500 4.524 4.054 4.738 . 0 0 "[ . 1]" 1
526 1 32 LYS H 1 32 LYS HG3 . . 5.500 4.496 4.433 4.577 . 0 0 "[ . 1]" 1
527 1 32 LYS H 1 33 ILE H . . 5.500 4.713 4.666 4.764 . 0 0 "[ . 1]" 1
528 1 32 LYS H 1 33 ILE MG . . 5.500 4.486 4.381 4.600 . 0 0 "[ . 1]" 1
529 1 32 LYS H 1 54 TYR QE . . 5.070 4.452 3.991 4.695 . 0 0 "[ . 1]" 1
530 1 32 LYS HA 1 44 GLY HA2 . . 5.500 2.735 2.567 3.020 . 0 0 "[ . 1]" 1
531 1 32 LYS HA 1 45 ARG H . . 5.500 3.563 3.333 3.826 . 0 0 "[ . 1]" 1
532 1 32 LYS HB3 1 32 LYS HE2 . . 5.500 2.569 2.042 3.844 . 0 0 "[ . 1]" 1
533 1 32 LYS HB3 1 32 LYS HE3 . . 5.500 3.621 3.132 4.425 . 0 0 "[ . 1]" 1
534 1 32 LYS HB3 1 42 CYS HB3 . . 5.500 5.205 4.687 5.495 . 0 0 "[ . 1]" 1
535 1 32 LYS QD 1 34 SER H . . 5.500 3.840 3.319 4.400 . 0 0 "[ . 1]" 1
536 1 32 LYS QD 1 35 GLU QB . . 5.340 5.187 4.665 5.434 0.094 3 0 "[ . 1]" 1
537 1 32 LYS QE 1 36 GLU H . . 5.340 5.101 4.478 5.389 0.049 10 0 "[ . 1]" 1
538 1 32 LYS HE2 1 33 ILE HA . . 5.500 5.123 3.749 5.568 0.068 7 0 "[ . 1]" 1
539 1 32 LYS HE2 1 34 SER H . . 5.500 4.641 2.909 5.468 . 0 0 "[ . 1]" 1
540 1 32 LYS HE2 1 35 GLU HA . . 5.500 5.047 3.765 5.496 . 0 0 "[ . 1]" 1
541 1 32 LYS HE3 1 33 ILE HA . . 5.500 5.159 4.115 5.560 0.060 8 0 "[ . 1]" 1
542 1 32 LYS HE3 1 34 SER H . . 5.500 4.034 3.050 4.961 . 0 0 "[ . 1]" 1
543 1 32 LYS HE3 1 35 GLU HA . . 5.500 3.624 2.806 4.159 . 0 0 "[ . 1]" 1
544 1 32 LYS HG2 1 33 ILE H . . 5.500 2.741 2.424 3.358 . 0 0 "[ . 1]" 1
545 1 32 LYS HG2 1 33 ILE HB . . 5.500 5.572 5.564 5.580 0.080 9 0 "[ . 1]" 1
546 1 32 LYS HG2 1 34 SER H . . 5.500 2.332 1.913 3.200 . 0 0 "[ . 1]" 1
547 1 32 LYS HG2 1 42 CYS HB3 . . 5.500 4.129 3.575 5.543 0.043 9 0 "[ . 1]" 1
548 1 32 LYS HG2 1 54 TYR QE . . 4.860 4.069 3.646 4.930 0.070 9 0 "[ . 1]" 1
549 1 32 LYS HG3 1 34 SER H . . 5.500 2.980 2.387 3.847 . 0 0 "[ . 1]" 1
550 1 32 LYS HG3 1 42 CYS HB3 . . 5.500 2.637 2.199 3.921 . 0 0 "[ . 1]" 1
551 1 32 LYS HG3 1 54 TYR QE . . 3.790 2.761 2.307 3.854 0.064 9 0 "[ . 1]" 1
552 1 33 ILE H 1 33 ILE MD . . 5.500 4.145 3.882 4.323 . 0 0 "[ . 1]" 1
553 1 33 ILE H 1 34 SER H . . 5.500 2.122 1.904 2.330 . 0 0 "[ . 1]" 1
554 1 33 ILE H 1 43 LYS QD . . 5.340 5.269 4.903 5.418 0.078 1 0 "[ . 1]" 1
555 1 33 ILE H 1 44 GLY HA2 . . 5.500 2.045 1.903 2.404 . 0 0 "[ . 1]" 1
556 1 33 ILE H 1 44 GLY HA3 . . 5.500 3.021 2.919 3.150 . 0 0 "[ . 1]" 1
557 1 33 ILE H 1 54 TYR QE . . 4.120 3.708 3.456 4.043 . 0 0 "[ . 1]" 1
558 1 33 ILE HA 1 44 GLY HA3 . . 5.500 5.553 5.450 5.575 0.075 6 0 "[ . 1]" 1
559 1 33 ILE HB 1 34 SER H . . 5.500 4.411 4.183 4.520 . 0 0 "[ . 1]" 1
560 1 33 ILE HB 1 44 GLY HA2 . . 5.500 4.280 4.162 4.369 . 0 0 "[ . 1]" 1
561 1 33 ILE HB 1 45 ARG H . . 5.500 5.552 5.485 5.578 0.078 8 0 "[ . 1]" 1
562 1 33 ILE MD 1 43 LYS QD . . 5.340 3.053 2.794 3.377 . 0 0 "[ . 1]" 1
563 1 33 ILE MD 1 43 LYS HE2 . . 5.500 4.997 4.416 5.570 0.070 5 0 "[ . 1]" 1
564 1 33 ILE MD 1 43 LYS HE3 . . 5.500 5.413 5.093 5.590 0.090 1 0 "[ . 1]" 1
565 1 33 ILE MD 1 43 LYS QG . . 5.500 4.766 4.471 5.173 . 0 0 "[ . 1]" 1
566 1 33 ILE MD 1 44 GLY HA2 . . 5.500 3.621 3.414 3.927 . 0 0 "[ . 1]" 1
567 1 33 ILE MD 1 45 ARG HA . . 5.500 4.862 4.184 5.523 0.023 1 0 "[ . 1]" 1
568 1 33 ILE MD 1 45 ARG QB . . 5.340 3.363 2.505 4.683 . 0 0 "[ . 1]" 1
569 1 33 ILE MD 1 45 ARG QG . . 5.340 4.205 2.790 5.292 . 0 0 "[ . 1]" 1
570 1 33 ILE MD 1 51 VAL HA . . 5.500 4.988 3.993 5.573 0.073 10 0 "[ . 1]" 1
571 1 33 ILE MD 1 51 VAL HB . . 5.500 4.392 3.805 4.849 . 0 0 "[ . 1]" 1
572 1 33 ILE MD 1 51 VAL QG . . 5.440 2.987 1.900 3.778 . 0 0 "[ . 1]" 1
573 1 33 ILE MG 1 34 SER H . . 5.500 4.344 4.216 4.464 . 0 0 "[ . 1]" 1
574 1 33 ILE MG 1 43 LYS QB . . 5.500 5.174 4.705 5.549 0.049 5 0 "[ . 1]" 1
575 1 33 ILE MG 1 44 GLY HA2 . . 5.500 2.338 2.140 2.711 . 0 0 "[ . 1]" 1
576 1 33 ILE MG 1 44 GLY HA3 . . 5.500 3.501 3.252 3.681 . 0 0 "[ . 1]" 1
577 1 33 ILE MG 1 45 ARG H . . 5.500 2.539 2.475 2.654 . 0 0 "[ . 1]" 1
578 1 33 ILE MG 1 45 ARG HB2 . . 5.500 2.663 2.436 3.081 . 0 0 "[ . 1]" 1
579 1 33 ILE MG 1 45 ARG HB3 . . 5.500 3.114 2.585 4.317 . 0 0 "[ . 1]" 1
580 1 33 ILE MG 1 45 ARG QD . . 5.500 3.681 2.347 4.653 . 0 0 "[ . 1]" 1
581 1 33 ILE MG 1 51 VAL QG . . 5.440 4.009 3.095 5.021 . 0 0 "[ . 1]" 1
582 1 34 SER H 1 35 GLU H . . 5.500 4.353 4.245 4.433 . 0 0 "[ . 1]" 1
583 1 34 SER H 1 42 CYS HB3 . . 5.500 4.529 3.975 5.251 . 0 0 "[ . 1]" 1
584 1 34 SER H 1 43 LYS H . . 5.500 3.777 3.410 3.992 . 0 0 "[ . 1]" 1
585 1 34 SER H 1 43 LYS QB . . 5.500 3.938 3.446 4.457 . 0 0 "[ . 1]" 1
586 1 34 SER H 1 44 GLY HA2 . . 5.500 3.972 3.467 4.222 . 0 0 "[ . 1]" 1
587 1 34 SER QB 1 43 LYS H . . 5.340 2.287 1.792 2.838 . 0 0 "[ . 1]" 1
588 1 34 SER QB 1 43 LYS QD . . 5.180 4.206 3.615 4.669 . 0 0 "[ . 1]" 1
589 1 34 SER HB2 1 35 GLU H . . 5.500 3.513 3.165 3.819 . 0 0 "[ . 1]" 1
590 1 34 SER HB2 1 43 LYS QB . . 5.500 2.311 2.027 2.686 . 0 0 "[ . 1]" 1
591 1 34 SER HB3 1 35 GLU H . . 5.500 2.529 2.103 3.183 . 0 0 "[ . 1]" 1
592 1 34 SER HB3 1 43 LYS QB . . 5.500 3.031 2.192 3.753 . 0 0 "[ . 1]" 1
593 1 35 GLU H 1 35 GLU HG2 . . 5.500 2.512 1.899 4.632 . 0 0 "[ . 1]" 1
594 1 35 GLU H 1 35 GLU HG3 . . 5.500 3.454 2.540 4.431 . 0 0 "[ . 1]" 1
595 1 35 GLU H 1 36 GLU H . . 5.500 4.604 4.530 4.690 . 0 0 "[ . 1]" 1
596 1 35 GLU HB2 1 36 GLU H . . 5.500 2.756 2.226 4.006 . 0 0 "[ . 1]" 1
597 1 35 GLU HB3 1 36 GLU H . . 5.500 3.596 2.300 3.945 . 0 0 "[ . 1]" 1
598 1 36 GLU H 1 56 ALA MB . . 5.500 5.571 5.435 5.611 0.111 10 0 "[ . 1]" 1
599 1 36 GLU HA 1 40 GLY H . . 5.500 5.417 5.067 5.556 0.056 2 0 "[ . 1]" 1
600 1 36 GLU QB 1 56 ALA MB . . 5.340 3.682 3.417 3.907 . 0 0 "[ . 1]" 1
601 1 36 GLU QG 1 40 GLY QA . . 4.760 2.269 2.016 3.182 . 0 0 "[ . 1]" 1
602 1 36 GLU QG 1 41 TRP H . . 5.340 3.546 3.269 4.624 . 0 0 "[ . 1]" 1
603 1 36 GLU HG2 1 37 ASP H . . 5.500 3.212 2.584 4.903 . 0 0 "[ . 1]" 1
604 1 36 GLU HG2 1 40 GLY H . . 5.500 3.591 3.093 5.475 . 0 0 "[ . 1]" 1
605 1 36 GLU HG2 1 56 ALA MB . . 5.500 3.988 3.482 4.806 . 0 0 "[ . 1]" 1
606 1 36 GLU HG3 1 37 ASP H . . 5.500 3.214 2.644 3.901 . 0 0 "[ . 1]" 1
607 1 36 GLU HG3 1 40 GLY H . . 5.500 4.235 3.961 4.475 . 0 0 "[ . 1]" 1
608 1 36 GLU HG3 1 56 ALA MB . . 5.500 2.792 2.431 4.197 . 0 0 "[ . 1]" 1
609 1 37 ASP H 1 40 GLY H . . 5.500 3.968 3.711 4.157 . 0 0 "[ . 1]" 1
610 1 37 ASP H 1 40 GLY HA2 . . 5.500 4.050 3.766 4.326 . 0 0 "[ . 1]" 1
611 1 37 ASP H 1 40 GLY HA3 . . 5.500 5.441 5.197 5.561 0.061 6 0 "[ . 1]" 1
612 1 37 ASP QB 1 38 GLU HA . . 5.340 4.591 4.308 5.110 . 0 0 "[ . 1]" 1
613 1 37 ASP QB 1 39 GLN H . . 5.340 2.732 2.395 3.576 . 0 0 "[ . 1]" 1
614 1 37 ASP HB2 1 38 GLU H . . 5.500 3.738 3.352 3.975 . 0 0 "[ . 1]" 1
615 1 37 ASP HB3 1 38 GLU H . . 5.500 2.683 2.218 3.476 . 0 0 "[ . 1]" 1
616 1 38 GLU H 1 39 GLN H . . 5.500 2.958 2.773 3.165 . 0 0 "[ . 1]" 1
617 1 38 GLU H 1 40 GLY H . . 5.500 4.371 4.296 4.489 . 0 0 "[ . 1]" 1
618 1 38 GLU HA 1 40 GLY H . . 5.500 3.703 3.560 3.863 . 0 0 "[ . 1]" 1
619 1 38 GLU QB 1 39 GLN QE . . 4.760 4.653 3.814 4.855 0.095 8 0 "[ . 1]" 1
620 1 38 GLU QB 1 40 GLY H . . 5.340 4.737 4.533 4.894 . 0 0 "[ . 1]" 1
621 1 38 GLU QG 1 39 GLN QE . . 5.340 4.307 3.630 5.409 0.069 6 0 "[ . 1]" 1
622 1 39 GLN H 1 40 GLY H . . 5.500 2.496 2.247 2.700 . 0 0 "[ . 1]" 1
623 1 39 GLN H 1 40 GLY QA . . 5.340 4.314 4.162 4.484 . 0 0 "[ . 1]" 1
624 1 39 GLN H 1 41 TRP H . . 5.500 3.121 2.876 3.369 . 0 0 "[ . 1]" 1
625 1 39 GLN H 1 41 TRP HB3 . . 5.500 5.400 5.068 5.574 0.074 5 0 "[ . 1]" 1
626 1 39 GLN H 1 41 TRP HD1 . . 4.920 4.044 3.724 4.327 . 0 0 "[ . 1]" 1
627 1 39 GLN HA 1 41 TRP HD1 . . 5.500 5.257 5.000 5.546 0.046 6 0 "[ . 1]" 1
628 1 39 GLN QB 1 41 TRP HD1 . . 2.860 2.369 2.157 2.677 . 0 0 "[ . 1]" 1
629 1 39 GLN QB 1 41 TRP HE1 . . 5.500 3.656 3.442 3.894 . 0 0 "[ . 1]" 1
630 1 39 GLN QB 2 4 PRO HA . . 4.500 3.855 3.541 4.210 . 0 0 "[ . 1]" 1
631 1 39 GLN QB 2 5 ALA H . . 3.500 2.859 2.553 3.386 . 0 0 "[ . 1]" 1
632 1 39 GLN QB 2 8 PRO QD . . 6.000 8.156 7.306 9.118 3.118 5 10 [*-**+*****] 1
633 1 39 GLN QG 1 41 TRP HD1 . . 4.010 3.597 3.093 4.074 0.064 8 0 "[ . 1]" 1
634 1 39 GLN QG 2 1 THR MG . . 3.500 2.433 2.091 3.175 . 0 0 "[ . 1]" 1
635 1 39 GLN QG 2 4 PRO HA . . 3.500 2.322 2.099 2.729 . 0 0 "[ . 1]" 1
636 1 39 GLN QG 2 5 ALA H . . 3.500 2.184 1.817 2.618 . 0 0 "[ . 1]" 1
637 1 39 GLN QG 2 8 PRO QD . . 6.000 7.354 6.422 8.122 2.122 5 7 "[ ***+ -**1]" 1
638 1 40 GLY H 1 41 TRP H . . 5.500 2.468 2.358 2.592 . 0 0 "[ . 1]" 1
639 1 40 GLY H 1 41 TRP HB2 . . 5.500 4.314 4.152 4.625 . 0 0 "[ . 1]" 1
640 1 40 GLY H 1 41 TRP HD1 . . 5.500 5.452 5.311 5.551 0.051 10 0 "[ . 1]" 1
641 1 40 GLY H 1 56 ALA MB . . 5.500 5.123 4.816 5.551 0.051 3 0 "[ . 1]" 1
642 1 40 GLY QA 1 55 PRO HA . . 5.340 4.821 4.477 5.179 . 0 0 "[ . 1]" 1
643 1 40 GLY HA2 1 56 ALA MB . . 5.500 3.272 2.951 3.742 . 0 0 "[ . 1]" 1
644 1 40 GLY HA3 1 56 ALA MB . . 5.500 3.527 3.207 4.001 . 0 0 "[ . 1]" 1
645 1 41 TRP H 1 41 TRP HD1 . . 3.960 3.987 3.735 4.026 0.066 8 0 "[ . 1]" 1
646 1 41 TRP H 1 42 CYS H . . 5.500 4.591 4.526 4.670 . 0 0 "[ . 1]" 1
647 1 41 TRP H 1 56 ALA MB . . 5.500 4.509 4.295 4.879 . 0 0 "[ . 1]" 1
648 1 41 TRP HA 1 41 TRP HE3 . . 4.520 2.239 2.117 2.318 . 0 0 "[ . 1]" 1
649 1 41 TRP HA 1 55 PRO HA . . 5.500 2.786 2.544 3.017 . 0 0 "[ . 1]" 1
650 1 41 TRP HA 1 56 ALA H . . 5.500 3.000 2.864 3.166 . 0 0 "[ . 1]" 1
651 1 41 TRP HB2 1 41 TRP HD1 . . 3.700 2.522 2.424 2.753 . 0 0 "[ . 1]" 1
652 1 41 TRP HB2 1 42 CYS H . . 5.500 4.363 4.228 4.480 . 0 0 "[ . 1]" 1
653 1 41 TRP HB2 1 53 LEU MD1 . . 5.500 4.429 3.891 5.066 . 0 0 "[ . 1]" 1
654 1 41 TRP HB2 1 53 LEU MD2 . . 5.500 3.598 3.326 3.767 . 0 0 "[ . 1]" 1
655 1 41 TRP HB3 1 41 TRP HD1 . . 3.660 3.436 3.339 3.585 . 0 0 "[ . 1]" 1
656 1 41 TRP HB3 1 41 TRP HZ3 . . 5.500 5.422 5.096 5.553 0.053 10 0 "[ . 1]" 1
657 1 41 TRP HB3 1 42 CYS H . . 5.500 3.244 2.979 3.449 . 0 0 "[ . 1]" 1
658 1 41 TRP HB3 1 43 LYS QG . . 5.500 5.448 5.218 5.563 0.063 6 0 "[ . 1]" 1
659 1 41 TRP HB3 1 53 LEU HA . . 5.500 5.062 4.712 5.510 0.010 8 0 "[ . 1]" 1
660 1 41 TRP HB3 1 53 LEU MD1 . . 5.500 3.404 2.868 4.014 . 0 0 "[ . 1]" 1
661 1 41 TRP HB3 1 53 LEU MD2 . . 5.500 2.207 2.060 2.836 . 0 0 "[ . 1]" 1
662 1 41 TRP HB3 1 54 TYR H . . 5.500 4.926 4.648 5.184 . 0 0 "[ . 1]" 1
663 1 41 TRP HD1 1 53 LEU MD1 . . 5.500 4.258 3.718 5.132 . 0 0 "[ . 1]" 1
664 1 41 TRP HD1 1 53 LEU QD . . 4.790 3.760 3.340 4.106 . 0 0 "[ . 1]" 1
665 1 41 TRP HD1 1 53 LEU MD2 . . 5.500 4.374 3.384 4.656 . 0 0 "[ . 1]" 1
666 1 41 TRP HD1 2 5 ALA H . . 4.500 4.040 3.674 4.550 0.050 7 0 "[ . 1]" 1
667 1 41 TRP HE1 1 53 LEU HB3 . . 5.500 5.517 5.325 5.574 0.074 3 0 "[ . 1]" 1
668 1 41 TRP HE1 2 5 ALA H . . 4.500 3.089 2.742 3.432 . 0 0 "[ . 1]" 1
669 1 41 TRP HE3 1 55 PRO HB3 . . 5.010 4.398 4.263 4.631 . 0 0 "[ . 1]" 1
670 1 41 TRP HE3 1 55 PRO HD2 . . 5.410 5.231 5.112 5.349 . 0 0 "[ . 1]" 1
671 1 41 TRP HE3 1 55 PRO HD3 . . 4.500 4.273 4.126 4.434 . 0 0 "[ . 1]" 1
672 1 41 TRP HH2 1 53 LEU HB3 . . 4.140 3.958 3.690 4.193 0.053 1 0 "[ . 1]" 1
673 1 41 TRP HH2 1 53 LEU QD . . 5.440 4.417 4.020 4.701 . 0 0 "[ . 1]" 1
674 1 41 TRP HH2 1 54 TYR H . . 5.500 5.576 5.571 5.584 0.084 10 0 "[ . 1]" 1
675 1 41 TRP HH2 1 55 PRO HA . . 5.500 5.093 4.793 5.350 . 0 0 "[ . 1]" 1
676 1 41 TRP HH2 1 55 PRO HD2 . . 5.500 4.945 4.735 5.155 . 0 0 "[ . 1]" 1
677 1 41 TRP HH2 1 55 PRO HD3 . . 4.080 3.213 3.022 3.443 . 0 0 "[ . 1]" 1
678 1 41 TRP HH2 1 55 PRO HG3 . . 5.140 4.552 4.184 5.024 . 0 0 "[ . 1]" 1
679 1 41 TRP HZ2 1 53 LEU HB3 . . 4.860 4.809 4.522 4.924 0.064 5 0 "[ . 1]" 1
680 1 41 TRP HZ2 1 55 PRO HD3 . . 5.500 5.380 5.172 5.566 0.066 9 0 "[ . 1]" 1
681 1 41 TRP HZ2 2 5 ALA H . . 4.500 4.557 4.532 4.569 0.069 3 0 "[ . 1]" 1
682 1 41 TRP HZ2 2 7 ASN HA . . 6.000 9.057 8.534 9.704 3.704 8 10 [**-****+**] 1
683 1 41 TRP HZ3 1 42 CYS H . . 4.350 4.385 4.254 4.426 0.076 5 0 "[ . 1]" 1
684 1 41 TRP HZ3 1 53 LEU HB2 . . 5.500 4.101 3.654 4.585 . 0 0 "[ . 1]" 1
685 1 41 TRP HZ3 1 53 LEU HB3 . . 3.750 2.903 2.768 3.018 . 0 0 "[ . 1]" 1
686 1 41 TRP HZ3 1 53 LEU MD1 . . 5.210 4.613 4.202 5.135 . 0 0 "[ . 1]" 1
687 1 41 TRP HZ3 1 53 LEU QD . . 4.520 3.881 3.583 4.154 . 0 0 "[ . 1]" 1
688 1 41 TRP HZ3 1 53 LEU MD2 . . 5.210 4.203 3.866 4.619 . 0 0 "[ . 1]" 1
689 1 41 TRP HZ3 1 54 TYR H . . 4.280 3.285 3.204 3.417 . 0 0 "[ . 1]" 1
690 1 41 TRP HZ3 1 54 TYR HB2 . . 4.700 4.486 4.368 4.727 0.027 8 0 "[ . 1]" 1
691 1 41 TRP HZ3 1 55 PRO HA . . 5.500 3.684 3.469 3.836 . 0 0 "[ . 1]" 1
692 1 41 TRP HZ3 1 55 PRO HD2 . . 5.170 3.679 3.569 3.865 . 0 0 "[ . 1]" 1
693 1 41 TRP HZ3 1 55 PRO HD3 . . 4.450 2.355 2.236 2.524 . 0 0 "[ . 1]" 1
694 1 41 TRP HZ3 1 55 PRO HG3 . . 5.500 4.433 4.237 4.695 . 0 0 "[ . 1]" 1
695 1 42 CYS H 1 43 LYS H . . 5.500 4.249 4.182 4.336 . 0 0 "[ . 1]" 1
696 1 42 CYS H 1 53 LEU HA . . 5.500 4.155 3.922 4.352 . 0 0 "[ . 1]" 1
697 1 42 CYS H 1 54 TYR H . . 5.500 2.729 2.565 2.966 . 0 0 "[ . 1]" 1
698 1 42 CYS H 1 54 TYR QD . . 5.100 4.374 4.254 4.471 . 0 0 "[ . 1]" 1
699 1 42 CYS H 1 55 PRO HA . . 5.500 3.670 3.337 3.832 . 0 0 "[ . 1]" 1
700 1 42 CYS H 1 56 ALA H . . 5.500 3.350 3.132 3.707 . 0 0 "[ . 1]" 1
701 1 42 CYS H 1 56 ALA HA . . 5.500 5.159 4.879 5.509 0.009 8 0 "[ . 1]" 1
702 1 42 CYS H 1 56 ALA MB . . 5.500 3.726 3.402 4.003 . 0 0 "[ . 1]" 1
703 1 42 CYS HA 1 53 LEU QD . . 5.440 3.649 3.340 4.182 . 0 0 "[ . 1]" 1
704 1 42 CYS HB2 1 43 LYS H . . 5.500 4.356 4.157 4.512 . 0 0 "[ . 1]" 1
705 1 42 CYS HB2 1 54 TYR QD . . 4.550 3.727 3.447 4.064 . 0 0 "[ . 1]" 1
706 1 42 CYS HB2 1 54 TYR QE . . 3.980 3.075 2.863 3.339 . 0 0 "[ . 1]" 1
707 1 42 CYS HB2 1 56 ALA HA . . 5.500 3.606 3.396 3.852 . 0 0 "[ . 1]" 1
708 1 42 CYS HB3 1 43 LYS H . . 5.500 3.290 2.993 3.547 . 0 0 "[ . 1]" 1
709 1 42 CYS HB3 1 54 TYR QE . . 4.000 2.618 2.338 2.828 . 0 0 "[ . 1]" 1
710 1 42 CYS HB3 1 56 ALA MB . . 5.500 3.657 3.435 3.872 . 0 0 "[ . 1]" 1
711 1 43 LYS H 1 43 LYS QD . . 5.340 4.691 4.478 4.786 . 0 0 "[ . 1]" 1
712 1 43 LYS H 1 53 LEU QD . . 5.440 3.271 3.069 3.859 . 0 0 "[ . 1]" 1
713 1 43 LYS H 1 53 LEU HG . . 5.500 5.511 5.253 5.565 0.065 8 0 "[ . 1]" 1
714 1 43 LYS H 1 54 TYR QE . . 4.720 4.592 4.224 4.806 0.086 9 0 "[ . 1]" 1
715 1 43 LYS HA 1 52 GLY H . . 5.500 4.469 4.215 4.777 . 0 0 "[ . 1]" 1
716 1 43 LYS HA 1 53 LEU HA . . 5.500 2.183 2.060 2.377 . 0 0 "[ . 1]" 1
717 1 43 LYS HA 1 53 LEU QD . . 5.440 2.629 2.430 3.064 . 0 0 "[ . 1]" 1
718 1 43 LYS HA 1 54 TYR H . . 5.500 3.358 3.136 3.672 . 0 0 "[ . 1]" 1
719 1 43 LYS QB 1 44 GLY H . . 5.500 3.558 3.309 3.939 . 0 0 "[ . 1]" 1
720 1 43 LYS QD 1 51 VAL QG . . 4.850 3.325 2.228 4.380 . 0 0 "[ . 1]" 1
721 1 43 LYS QD 1 52 GLY H . . 5.340 3.031 2.515 3.640 . 0 0 "[ . 1]" 1
722 1 43 LYS QD 1 52 GLY QA . . 5.180 3.369 2.676 4.123 . 0 0 "[ . 1]" 1
723 1 43 LYS QE 1 51 VAL QG . . 4.530 3.361 1.998 4.274 . 0 0 "[ . 1]" 1
724 1 43 LYS QE 1 53 LEU HA . . 5.340 3.817 3.567 4.014 . 0 0 "[ . 1]" 1
725 1 43 LYS QE 1 53 LEU HB2 . . 5.340 4.324 3.950 4.740 . 0 0 "[ . 1]" 1
726 1 43 LYS QE 1 53 LEU HB3 . . 5.340 5.299 4.914 5.426 0.086 3 0 "[ . 1]" 1
727 1 43 LYS QE 1 53 LEU QD . . 4.530 3.573 2.889 3.914 . 0 0 "[ . 1]" 1
728 1 43 LYS QE 1 53 LEU HG . . 5.340 3.329 2.415 5.403 0.063 3 0 "[ . 1]" 1
729 1 43 LYS QG 1 44 GLY H . . 5.500 3.610 3.386 3.900 . 0 0 "[ . 1]" 1
730 1 43 LYS QG 1 53 LEU H . . 5.500 3.759 3.415 4.093 . 0 0 "[ . 1]" 1
731 1 43 LYS QG 1 53 LEU HA . . 5.500 2.496 2.289 2.929 . 0 0 "[ . 1]" 1
732 1 43 LYS QG 1 53 LEU MD1 . . 5.500 3.484 2.041 3.902 . 0 0 "[ . 1]" 1
733 1 43 LYS QG 1 53 LEU MD2 . . 5.500 2.479 2.122 4.338 . 0 0 "[ . 1]" 1
734 1 43 LYS QG 1 53 LEU HG . . 5.500 2.455 2.044 4.026 . 0 0 "[ . 1]" 1
735 1 43 LYS QG 1 54 TYR H . . 5.500 4.504 4.280 4.992 . 0 0 "[ . 1]" 1
736 1 44 GLY H 1 51 VAL QG . . 5.440 4.423 3.481 5.258 . 0 0 "[ . 1]" 1
737 1 44 GLY H 1 52 GLY H . . 5.500 3.111 2.772 3.644 . 0 0 "[ . 1]" 1
738 1 44 GLY H 1 53 LEU HA . . 5.500 3.630 3.304 3.975 . 0 0 "[ . 1]" 1
739 1 44 GLY H 1 53 LEU QD . . 5.440 4.506 4.257 4.809 . 0 0 "[ . 1]" 1
740 1 44 GLY H 1 54 TYR H . . 5.500 4.356 4.192 4.749 . 0 0 "[ . 1]" 1
741 1 44 GLY H 1 54 TYR QD . . 3.820 2.926 2.711 3.132 . 0 0 "[ . 1]" 1
742 1 44 GLY H 1 54 TYR QE . . 4.400 4.020 3.934 4.372 . 0 0 "[ . 1]" 1
743 1 44 GLY HA2 1 54 TYR QD . . 5.500 4.365 4.055 4.615 . 0 0 "[ . 1]" 1
744 1 44 GLY HA2 1 54 TYR QE . . 5.500 3.807 3.444 4.072 . 0 0 "[ . 1]" 1
745 1 44 GLY HA3 1 54 TYR QD . . 3.770 2.943 2.580 3.188 . 0 0 "[ . 1]" 1
746 1 44 GLY HA3 1 54 TYR QE . . 4.670 2.633 2.285 2.977 . 0 0 "[ . 1]" 1
747 1 45 ARG H 1 46 LEU H . . 5.500 4.306 4.090 4.426 . 0 0 "[ . 1]" 1
748 1 45 ARG H 1 54 TYR QD . . 5.500 5.034 4.747 5.318 . 0 0 "[ . 1]" 1
749 1 45 ARG H 1 54 TYR QE . . 5.500 4.826 4.440 5.086 . 0 0 "[ . 1]" 1
750 1 45 ARG HA 1 46 LEU QB . . 5.500 4.119 3.968 4.325 . 0 0 "[ . 1]" 1
751 1 45 ARG HA 1 46 LEU QD . . 5.440 4.179 3.172 5.030 . 0 0 "[ . 1]" 1
752 1 45 ARG HA 1 50 HIS H . . 5.500 5.185 4.816 5.520 0.020 9 0 "[ . 1]" 1
753 1 45 ARG HA 1 51 VAL QG . . 5.440 2.902 2.390 4.040 . 0 0 "[ . 1]" 1
754 1 45 ARG HA 1 52 GLY H . . 5.500 3.941 3.705 4.190 . 0 0 "[ . 1]" 1
755 1 45 ARG QB 1 46 LEU QD . . 5.280 5.119 4.568 5.409 0.129 8 0 "[ . 1]" 1
756 1 45 ARG QB 1 51 VAL QG . . 4.850 2.799 2.108 4.634 . 0 0 "[ . 1]" 1
757 1 45 ARG QD 1 49 GLY H . . 5.500 4.366 3.138 5.261 . 0 0 "[ . 1]" 1
758 1 45 ARG QD 1 49 GLY HA2 . . 5.500 2.780 1.916 4.006 . 0 0 "[ . 1]" 1
759 1 45 ARG QD 1 49 GLY HA3 . . 5.500 4.101 3.340 5.491 . 0 0 "[ . 1]" 1
760 1 45 ARG QD 1 51 VAL QG . . 5.440 3.361 2.328 4.526 . 0 0 "[ . 1]" 1
761 1 45 ARG QG 1 46 LEU H . . 5.340 2.803 2.199 3.678 . 0 0 "[ . 1]" 1
762 1 45 ARG QG 1 49 GLY H . . 5.340 4.008 3.241 5.411 0.071 2 0 "[ . 1]" 1
763 1 45 ARG QG 1 51 VAL QG . . 4.850 2.399 1.974 3.158 . 0 0 "[ . 1]" 1
764 1 46 LEU H 1 46 LEU MD1 . . 5.500 3.225 2.323 4.323 . 0 0 "[ . 1]" 1
765 1 46 LEU H 1 46 LEU MD2 . . 5.500 4.204 3.808 4.455 . 0 0 "[ . 1]" 1
766 1 46 LEU H 1 46 LEU HG . . 5.500 3.768 2.981 4.454 . 0 0 "[ . 1]" 1
767 1 46 LEU H 1 48 THR H . . 5.500 4.892 4.621 5.330 . 0 0 "[ . 1]" 1
768 1 46 LEU H 1 49 GLY H . . 5.500 3.968 3.580 4.203 . 0 0 "[ . 1]" 1
769 1 46 LEU H 1 49 GLY QA . . 5.340 4.199 3.745 4.487 . 0 0 "[ . 1]" 1
770 1 46 LEU H 1 50 HIS H . . 5.500 3.526 3.124 3.927 . 0 0 "[ . 1]" 1
771 1 46 LEU H 1 50 HIS HB2 . . 5.500 4.654 3.746 5.285 . 0 0 "[ . 1]" 1
772 1 46 LEU H 1 50 HIS HB3 . . 5.500 3.683 3.343 4.004 . 0 0 "[ . 1]" 1
773 1 46 LEU H 1 51 VAL QG . . 5.440 4.128 3.518 5.059 . 0 0 "[ . 1]" 1
774 1 46 LEU H 1 52 GLY H . . 5.500 5.398 4.924 5.572 0.072 4 0 "[ . 1]" 1
775 1 46 LEU HA 1 48 THR H . . 5.500 4.279 4.035 4.533 . 0 0 "[ . 1]" 1
776 1 46 LEU QB 1 47 LEU H . . 5.500 2.549 2.341 3.046 . 0 0 "[ . 1]" 1
777 1 46 LEU QB 1 48 THR H . . 5.500 2.366 2.006 2.826 . 0 0 "[ . 1]" 1
778 1 46 LEU QB 1 49 GLY H . . 5.500 3.327 2.977 3.771 . 0 0 "[ . 1]" 1
779 1 46 LEU QB 1 50 HIS H . . 5.500 2.747 2.495 2.996 . 0 0 "[ . 1]" 1
780 1 46 LEU QB 1 50 HIS HB2 . . 5.500 3.282 2.155 4.200 . 0 0 "[ . 1]" 1
781 1 46 LEU QB 1 50 HIS HB3 . . 5.500 2.540 2.173 3.262 . 0 0 "[ . 1]" 1
782 1 46 LEU QB 1 50 HIS HD2 . . 4.710 4.327 3.694 4.789 0.079 6 0 "[ . 1]" 1
783 1 46 LEU QB 1 51 VAL HA . . 5.500 4.967 4.399 5.465 . 0 0 "[ . 1]" 1
784 1 46 LEU QD 1 47 LEU HA . . 5.440 5.084 4.345 5.457 0.017 3 0 "[ . 1]" 1
785 1 46 LEU QD 1 47 LEU QB . . 5.280 4.469 3.788 5.254 . 0 0 "[ . 1]" 1
786 1 46 LEU QD 1 48 THR HB . . 5.440 4.217 3.291 4.701 . 0 0 "[ . 1]" 1
787 1 46 LEU QD 1 50 HIS QB . . 4.850 2.451 2.097 2.991 . 0 0 "[ . 1]" 1
788 1 46 LEU QD 1 50 HIS HD2 . . 4.250 3.182 2.103 4.330 0.080 9 0 "[ . 1]" 1
789 1 46 LEU MD1 1 47 LEU H . . 5.500 4.245 3.581 4.637 . 0 0 "[ . 1]" 1
790 1 46 LEU MD1 1 48 THR H . . 5.500 4.605 4.169 5.033 . 0 0 "[ . 1]" 1
791 1 46 LEU MD1 1 50 HIS H . . 5.500 4.382 3.827 5.384 . 0 0 "[ . 1]" 1
792 1 46 LEU MD2 1 47 LEU H . . 5.500 3.263 2.082 4.277 . 0 0 "[ . 1]" 1
793 1 46 LEU MD2 1 48 THR H . . 5.500 3.748 3.321 4.312 . 0 0 "[ . 1]" 1
794 1 46 LEU MD2 1 50 HIS H . . 5.500 4.707 3.844 5.573 0.073 4 0 "[ . 1]" 1
795 1 46 LEU HG 1 48 THR MG . . 5.500 4.327 3.451 5.138 . 0 0 "[ . 1]" 1
796 1 46 LEU HG 1 50 HIS H . . 5.500 5.518 5.266 5.576 0.076 7 0 "[ . 1]" 1
797 1 47 LEU H 1 47 LEU MD1 . . 5.500 3.829 3.088 4.172 . 0 0 "[ . 1]" 1
798 1 47 LEU H 1 47 LEU MD2 . . 5.500 2.215 1.821 2.594 . 0 0 "[ . 1]" 1
799 1 47 LEU H 1 47 LEU HG . . 5.500 2.910 2.183 3.871 . 0 0 "[ . 1]" 1
800 1 47 LEU H 1 48 THR H . . 5.500 2.689 2.536 2.791 . 0 0 "[ . 1]" 1
801 1 47 LEU H 1 48 THR HA . . 5.500 5.328 5.210 5.406 . 0 0 "[ . 1]" 1
802 1 47 LEU H 1 49 GLY H . . 5.500 4.138 3.986 4.278 . 0 0 "[ . 1]" 1
803 1 47 LEU QB 1 48 THR HA . . 5.340 4.279 3.920 4.558 . 0 0 "[ . 1]" 1
804 1 47 LEU QB 1 48 THR MG . . 5.340 4.609 4.052 5.340 0.000 6 0 "[ . 1]" 1
805 1 47 LEU MD1 1 48 THR H . . 5.500 3.994 2.946 4.835 . 0 0 "[ . 1]" 1
806 1 47 LEU MD1 1 49 GLY H . . 5.500 5.170 4.677 5.510 0.010 5 0 "[ . 1]" 1
807 1 47 LEU MD2 1 48 THR H . . 5.500 3.957 3.699 4.439 . 0 0 "[ . 1]" 1
808 1 47 LEU MD2 1 49 GLY H . . 5.500 5.391 5.087 5.592 0.092 8 0 "[ . 1]" 1
809 1 48 THR H 1 49 GLY H . . 5.500 2.706 2.389 2.901 . 0 0 "[ . 1]" 1
810 1 48 THR H 1 49 GLY QA . . 5.340 4.574 4.368 4.730 . 0 0 "[ . 1]" 1
811 1 48 THR HA 1 49 GLY QA . . 5.340 4.228 4.181 4.260 . 0 0 "[ . 1]" 1
812 1 48 THR MG 1 49 GLY H . . 5.500 3.263 2.969 4.185 . 0 0 "[ . 1]" 1
813 1 49 GLY H 1 50 HIS H . . 5.500 2.712 2.533 2.913 . 0 0 "[ . 1]" 1
814 1 49 GLY H 1 50 HIS QB . . 5.340 4.374 4.054 4.612 . 0 0 "[ . 1]" 1
815 1 50 HIS H 1 51 VAL H . . 5.500 4.702 4.654 4.736 . 0 0 "[ . 1]" 1
816 1 50 HIS H 1 51 VAL HA . . 5.500 5.509 5.396 5.571 0.071 5 0 "[ . 1]" 1
817 1 50 HIS H 1 51 VAL QG . . 5.440 4.778 4.398 5.507 0.067 7 0 "[ . 1]" 1
818 1 50 HIS HA 1 51 VAL QG . . 5.440 3.402 3.189 3.890 . 0 0 "[ . 1]" 1
819 1 50 HIS QB 1 50 HIS HD2 . . 3.300 2.561 2.373 2.871 . 0 0 "[ . 1]" 1
820 1 50 HIS HB2 1 51 VAL H . . 5.500 4.290 4.166 4.442 . 0 0 "[ . 1]" 1
821 1 50 HIS HB3 1 51 VAL H . . 5.500 3.813 3.192 4.254 . 0 0 "[ . 1]" 1
822 1 50 HIS HD2 1 51 VAL H . . 5.500 4.630 2.534 5.539 0.039 10 0 "[ . 1]" 1
823 1 51 VAL H 1 52 GLY H . . 5.500 4.453 4.179 4.587 . 0 0 "[ . 1]" 1
824 1 51 VAL HA 1 52 GLY HA2 . . 5.500 4.550 4.475 4.601 . 0 0 "[ . 1]" 1
825 1 51 VAL HA 1 52 GLY HA3 . . 5.500 4.392 4.363 4.439 . 0 0 "[ . 1]" 1
826 1 51 VAL HB 1 52 GLY H . . 5.500 3.501 2.698 4.507 . 0 0 "[ . 1]" 1
827 1 51 VAL QG 1 52 GLY QA . . 4.850 3.446 3.093 3.751 . 0 0 "[ . 1]" 1
828 1 51 VAL MG1 1 52 GLY H . . 5.500 3.597 2.364 4.348 . 0 0 "[ . 1]" 1
829 1 51 VAL MG2 1 52 GLY H . . 5.500 3.535 2.438 4.093 . 0 0 "[ . 1]" 1
830 1 52 GLY H 1 53 LEU H . . 5.500 4.341 4.287 4.430 . 0 0 "[ . 1]" 1
831 1 52 GLY H 1 53 LEU HA . . 5.500 4.814 4.637 4.949 . 0 0 "[ . 1]" 1
832 1 52 GLY H 1 54 TYR QD . . 5.500 5.204 4.779 5.572 0.072 8 0 "[ . 1]" 1
833 1 53 LEU H 1 53 LEU MD1 . . 5.500 3.752 3.248 4.064 . 0 0 "[ . 1]" 1
834 1 53 LEU H 1 53 LEU MD2 . . 5.500 4.103 4.005 4.286 . 0 0 "[ . 1]" 1
835 1 53 LEU H 1 53 LEU HG . . 5.500 3.360 2.863 4.499 . 0 0 "[ . 1]" 1
836 1 53 LEU HB2 1 54 TYR H . . 5.500 4.357 4.244 4.483 . 0 0 "[ . 1]" 1
837 1 53 LEU HB3 1 55 PRO HD3 . . 5.500 5.232 4.998 5.395 . 0 0 "[ . 1]" 1
838 1 53 LEU MD1 1 54 TYR H . . 5.500 4.770 3.837 5.100 . 0 0 "[ . 1]" 1
839 1 53 LEU MD1 2 1 THR MG . . 4.500 4.550 4.359 4.623 0.123 5 0 "[ . 1]" 1
840 1 53 LEU MD2 1 54 TYR H . . 5.500 3.236 2.759 4.498 . 0 0 "[ . 1]" 1
841 1 53 LEU HG 1 54 TYR H . . 5.500 4.655 3.165 4.922 . 0 0 "[ . 1]" 1
842 1 54 TYR H 1 54 TYR QD . . 3.810 3.050 2.905 3.197 . 0 0 "[ . 1]" 1
843 1 54 TYR H 1 54 TYR QE . . 5.430 4.559 4.473 4.654 . 0 0 "[ . 1]" 1
844 1 54 TYR H 1 55 PRO HD2 . . 5.500 4.934 4.884 5.004 . 0 0 "[ . 1]" 1
845 1 54 TYR QD 1 55 PRO HD2 . . 3.550 3.356 3.105 3.586 0.036 8 0 "[ . 1]" 1
846 1 54 TYR QD 1 55 PRO HD3 . . 5.500 4.564 4.423 4.723 . 0 0 "[ . 1]" 1
847 1 54 TYR QD 1 56 ALA HA . . 5.500 3.206 3.020 3.539 . 0 0 "[ . 1]" 1
848 1 54 TYR QD 1 56 ALA MB . . 4.540 4.275 4.060 4.575 0.035 7 0 "[ . 1]" 1
849 1 54 TYR QD 1 57 ASN H . . 5.500 5.482 5.373 5.555 0.055 3 0 "[ . 1]" 1
850 1 54 TYR QD 1 58 TYR H . . 5.500 4.675 4.460 4.934 . 0 0 "[ . 1]" 1
851 1 54 TYR QD 1 59 VAL H . . 5.500 5.112 4.902 5.274 . 0 0 "[ . 1]" 1
852 1 54 TYR QD 1 59 VAL QG . . 3.420 2.607 2.201 3.210 . 0 0 "[ . 1]" 1
853 1 54 TYR QE 1 55 PRO HA . . 5.500 5.416 5.246 5.545 0.045 1 0 "[ . 1]" 1
854 1 54 TYR QE 1 56 ALA HA . . 4.350 2.024 1.977 2.073 . 0 0 "[ . 1]" 1
855 1 54 TYR QE 1 59 VAL HB . . 5.090 4.134 3.276 4.506 . 0 0 "[ . 1]" 1
856 1 54 TYR QE 1 59 VAL QG . . 3.430 1.924 1.895 1.952 . 0 0 "[ . 1]" 1
857 1 55 PRO HA 1 56 ALA HA . . 5.500 4.494 4.446 4.538 . 0 0 "[ . 1]" 1
858 1 55 PRO HA 1 56 ALA MB . . 5.500 4.030 3.958 4.073 . 0 0 "[ . 1]" 1
859 1 55 PRO HA 1 58 TYR QD . . 5.500 4.623 4.309 4.788 . 0 0 "[ . 1]" 1
860 1 55 PRO HB2 1 58 TYR H . . 5.500 3.335 3.111 3.652 . 0 0 "[ . 1]" 1
861 1 55 PRO HB2 1 58 TYR QB . . 5.500 3.359 3.070 3.676 . 0 0 "[ . 1]" 1
862 1 55 PRO HB2 1 58 TYR QD . . 3.570 2.179 2.066 2.244 . 0 0 "[ . 1]" 1
863 1 55 PRO HB2 1 58 TYR QE . . 4.120 3.402 2.931 3.783 . 0 0 "[ . 1]" 1
864 1 55 PRO HB3 1 58 TYR QD . . 5.500 3.854 3.766 3.929 . 0 0 "[ . 1]" 1
865 1 55 PRO HD2 1 58 TYR H . . 5.500 5.424 5.248 5.535 0.035 1 0 "[ . 1]" 1
866 1 55 PRO HD2 1 58 TYR QB . . 5.500 4.088 3.945 4.318 . 0 0 "[ . 1]" 1
867 1 55 PRO HD3 1 58 TYR QD . . 5.500 5.521 5.269 5.576 0.076 1 0 "[ . 1]" 1
868 1 55 PRO HG2 1 58 TYR QB . . 5.500 2.257 2.125 2.625 . 0 0 "[ . 1]" 1
869 1 55 PRO HG2 1 58 TYR QE . . 4.670 4.656 4.419 4.747 0.077 9 0 "[ . 1]" 1
870 1 55 PRO HG3 1 58 TYR QB . . 5.500 3.733 3.533 4.156 . 0 0 "[ . 1]" 1
871 1 55 PRO HG3 1 58 TYR QD . . 5.500 3.884 3.542 3.974 . 0 0 "[ . 1]" 1
872 1 56 ALA H 1 57 ASN H . . 5.500 2.732 2.635 2.872 . 0 0 "[ . 1]" 1
873 1 56 ALA HA 1 58 TYR H . . 5.500 3.669 3.444 3.857 . 0 0 "[ . 1]" 1
874 1 56 ALA HA 1 59 VAL QG . . 5.440 2.276 2.169 2.378 . 0 0 "[ . 1]" 1
875 1 56 ALA MB 1 57 ASN H . . 5.500 2.783 2.593 2.937 . 0 0 "[ . 1]" 1
876 1 56 ALA MB 1 57 ASN HA . . 5.500 3.928 3.838 4.034 . 0 0 "[ . 1]" 1
877 1 56 ALA MB 1 57 ASN QB . . 5.340 4.621 4.498 4.782 . 0 0 "[ . 1]" 1
878 1 56 ALA MB 1 58 TYR H . . 5.500 4.396 4.288 4.494 . 0 0 "[ . 1]" 1
879 1 56 ALA MB 1 59 VAL H . . 5.500 4.538 4.381 4.703 . 0 0 "[ . 1]" 1
880 1 56 ALA MB 1 59 VAL QG . . 5.440 3.274 2.936 3.541 . 0 0 "[ . 1]" 1
881 1 57 ASN H 1 57 ASN QD . . 5.500 2.857 2.325 3.580 . 0 0 "[ . 1]" 1
882 1 57 ASN H 1 58 TYR H . . 5.500 2.847 2.726 2.957 . 0 0 "[ . 1]" 1
883 1 57 ASN H 1 58 TYR QB . . 5.500 4.710 4.565 4.820 . 0 0 "[ . 1]" 1
884 1 57 ASN H 1 58 TYR QD . . 4.970 3.529 3.164 3.833 . 0 0 "[ . 1]" 1
885 1 57 ASN HA 1 59 VAL H . . 5.500 3.921 3.706 4.092 . 0 0 "[ . 1]" 1
886 1 57 ASN QB 1 58 TYR QD . . 4.100 2.275 2.104 2.386 . 0 0 "[ . 1]" 1
887 1 57 ASN QB 1 59 VAL H . . 5.500 4.754 4.602 4.901 . 0 0 "[ . 1]" 1
888 1 57 ASN QB 2 7 ASN HA . . 6.000 4.167 3.464 5.241 . 0 0 "[ . 1]" 1
889 1 57 ASN QB 2 8 PRO QD . . 4.500 6.899 6.257 7.952 3.452 5 10 [*-**+*****] 1
890 1 57 ASN QD 2 6 PRO QB . . 6.000 5.332 4.233 5.584 . 0 0 "[ . 1]" 1
891 1 57 ASN QD 2 6 PRO QG . . 6.000 4.340 3.601 5.814 . 0 0 "[ . 1]" 1
892 1 57 ASN QD 2 8 PRO QD . . 6.000 6.453 5.674 7.468 1.468 8 4 "[ * * -+ 1]" 1
893 1 58 TYR H 1 58 TYR QD . . 3.440 2.439 2.243 2.764 . 0 0 "[ . 1]" 1
894 1 58 TYR H 1 58 TYR QE . . 5.050 4.741 4.481 5.055 0.005 8 0 "[ . 1]" 1
895 1 58 TYR H 1 59 VAL H . . 5.500 2.500 2.376 2.641 . 0 0 "[ . 1]" 1
896 1 58 TYR H 1 59 VAL MG1 . . 5.500 3.453 2.932 4.076 . 0 0 "[ . 1]" 1
897 1 58 TYR H 1 59 VAL MG2 . . 5.500 4.199 3.477 5.359 . 0 0 "[ . 1]" 1
898 1 58 TYR HA 1 58 TYR QE . . 4.760 4.716 4.497 4.821 0.061 6 0 "[ . 1]" 1
899 1 58 TYR HA 1 59 VAL QG . . 5.440 4.254 4.042 4.929 . 0 0 "[ . 1]" 1
900 1 58 TYR QB 1 59 VAL H . . 5.500 3.615 3.511 3.752 . 0 0 "[ . 1]" 1
901 1 58 TYR QB 1 59 VAL QG . . 5.440 3.123 2.734 4.268 . 0 0 "[ . 1]" 1
902 1 58 TYR QD 2 6 PRO QG . . 4.500 3.537 3.164 4.512 0.012 10 0 "[ . 1]" 1
903 1 58 TYR QD 2 10 PRO HB2 . . 6.000 5.810 4.736 6.086 0.086 6 0 "[ . 1]" 1
904 1 58 TYR QE 2 6 PRO QB . . 4.500 3.050 2.235 3.553 . 0 0 "[ . 1]" 1
905 1 58 TYR QE 2 6 PRO QG . . 4.500 2.734 2.271 4.094 . 0 0 "[ . 1]" 1
906 1 58 TYR QE 2 7 ASN HA . . 6.000 3.117 2.345 4.123 . 0 0 "[ . 1]" 1
907 1 59 VAL H 1 60 GLU H . . 5.500 4.458 4.380 4.512 . 0 0 "[ . 1]" 1
908 1 59 VAL HB 1 60 GLU H . . 5.500 2.942 2.426 4.287 . 0 0 "[ . 1]" 1
909 1 59 VAL MG1 1 60 GLU H . . 5.500 3.830 2.685 4.244 . 0 0 "[ . 1]" 1
910 1 59 VAL MG2 1 60 GLU H . . 5.500 2.872 2.324 3.470 . 0 0 "[ . 1]" 1
911 1 60 GLU H 1 60 GLU HG2 . . 5.500 4.348 2.754 4.703 . 0 0 "[ . 1]" 1
912 1 60 GLU H 1 60 GLU HG3 . . 5.500 4.392 3.177 5.060 . 0 0 "[ . 1]" 1
913 1 60 GLU HB2 1 61 LYS H . . 5.500 3.850 2.529 4.161 . 0 0 "[ . 1]" 1
914 1 60 GLU HB3 1 61 LYS H . . 5.500 3.249 2.439 3.934 . 0 0 "[ . 1]" 1
915 1 61 LYS H 1 61 LYS HG2 . . 5.500 4.224 3.814 4.672 . 0 0 "[ . 1]" 1
916 1 61 LYS H 1 61 LYS HG3 . . 5.500 3.509 2.657 4.376 . 0 0 "[ . 1]" 1
917 1 61 LYS H 1 62 VAL H . . 5.500 4.647 4.604 4.694 . 0 0 "[ . 1]" 1
918 1 61 LYS H 1 62 VAL HB . . 5.500 5.513 5.417 5.569 0.069 10 0 "[ . 1]" 1
919 1 61 LYS HA 1 62 VAL HA . . 5.500 4.449 4.377 4.529 . 0 0 "[ . 1]" 1
920 1 61 LYS HA 1 62 VAL HB . . 5.500 4.074 3.972 4.176 . 0 0 "[ . 1]" 1
921 1 61 LYS QE 1 62 VAL QG . . 5.440 5.386 5.119 5.575 0.135 7 0 "[ . 1]" 1
922 1 61 LYS QG 1 62 VAL H . . 5.340 2.927 2.280 3.322 . 0 0 "[ . 1]" 1
923 1 61 LYS QG 1 62 VAL HA . . 5.340 5.041 4.098 5.429 0.089 1 0 "[ . 1]" 1
924 1 62 VAL HA 1 62 VAL QG . . 2.390 2.276 2.159 2.360 . 0 0 "[ . 1]" 1
925 1 62 VAL HB 1 63 GLY H . . 5.500 4.083 3.734 4.510 . 0 0 "[ . 1]" 1
926 1 62 VAL QG 1 63 GLY H . . 5.440 2.363 1.741 3.705 . 0 0 "[ . 1]" 1
927 1 63 GLY QA 1 64 LEU H . . 2.500 2.458 2.224 2.589 0.089 8 0 "[ . 1]" 1
928 1 64 LEU H 1 64 LEU QB . . 2.400 2.318 2.108 2.477 0.077 1 0 "[ . 1]" 1
929 1 64 LEU HA 1 65 ALA H . . 2.550 2.443 2.241 2.601 0.051 1 0 "[ . 1]" 1
930 1 64 LEU QB 1 65 ALA H . . 2.550 2.401 2.204 2.616 0.066 5 0 "[ . 1]" 1
931 1 64 LEU QB 1 65 ALA HA . . 5.500 4.212 3.963 4.523 . 0 0 "[ . 1]" 1
932 1 64 LEU QB 1 67 ALA MB . . 5.500 4.501 2.933 5.524 0.024 5 0 "[ . 1]" 1
933 1 64 LEU QD 1 65 ALA MB . . 5.440 3.987 3.167 4.821 . 0 0 "[ . 1]" 1
934 1 64 LEU QD 1 67 ALA MB . . 5.440 4.624 2.455 5.558 0.118 5 0 "[ . 1]" 1
935 1 65 ALA H 1 65 ALA MB . . 2.400 2.364 2.224 2.492 0.092 4 0 "[ . 1]" 1
936 1 65 ALA HA 1 66 ALA H . . 2.700 2.447 2.255 2.568 . 0 0 "[ . 1]" 1
937 1 65 ALA MB 1 66 ALA H . . 5.500 2.809 2.221 3.779 . 0 0 "[ . 1]" 1
938 1 66 ALA H 1 66 ALA MB . . 2.850 2.638 2.208 2.894 0.044 9 0 "[ . 1]" 1
939 1 66 ALA MB 1 67 ALA H . . 5.500 3.163 1.886 3.754 . 0 0 "[ . 1]" 1
940 2 2 LYS HA 2 3 GLY H . . 4.000 3.124 2.201 3.629 . 0 0 "[ . 1]" 1
941 2 5 ALA MB 2 6 PRO QG . . 5.500 3.604 3.344 3.975 . 0 0 "[ . 1]" 1
942 2 6 PRO QB 2 7 ASN H . . 4.000 3.412 2.960 3.630 . 0 0 "[ . 1]" 1
943 2 6 PRO QG 2 7 ASN H . . 5.500 3.506 2.802 5.003 . 0 0 "[ . 1]" 1
944 2 7 ASN QB 2 8 PRO QD . . 4.000 4.028 3.617 4.105 0.105 2 0 "[ . 1]" 1
945 2 10 PRO HB2 2 11 ILE H . . 4.000 2.473 1.887 2.927 . 0 0 "[ . 1]" 1
946 2 10 PRO HB2 2 11 ILE MD . . 5.500 4.020 2.415 5.600 0.100 6 0 "[ . 1]" 1
947 2 10 PRO HB3 2 11 ILE H . . 4.000 3.681 3.337 3.966 . 0 0 "[ . 1]" 1
948 2 10 PRO QG 2 11 ILE H . . 5.500 2.303 1.720 3.785 . 0 0 "[ . 1]" 1
949 2 13 LYS QE 2 15 TRP H . . 5.500 5.098 3.672 5.592 0.092 1 0 "[ . 1]" 1
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