NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
654544 |
6lzp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lzp
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 978
_Distance_constraint_stats_list.Viol_count 1394
_Distance_constraint_stats_list.Viol_total 1042.030
_Distance_constraint_stats_list.Viol_max 0.507
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0374
_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 4 PRO 0.195 0.195 6 0 "[ . 1 . 2]"
1 5 ALA 0.195 0.195 6 0 "[ . 1 . 2]"
1 6 VAL 0.001 0.001 13 0 "[ . 1 . 2]"
1 7 ILE 1.221 0.507 15 1 "[ . 1 + 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.004 0.004 13 0 "[ . 1 . 2]"
1 12 SER 0.013 0.007 4 0 "[ . 1 . 2]"
1 13 GLN 0.300 0.090 7 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.248 0.139 20 0 "[ . 1 . 2]"
1 16 VAL 0.970 0.117 20 0 "[ . 1 . 2]"
1 17 LEU 1.251 0.231 20 0 "[ . 1 . 2]"
1 18 VAL 2.224 0.240 11 0 "[ . 1 . 2]"
1 19 PRO 0.932 0.118 19 0 "[ . 1 . 2]"
1 20 ILE 3.795 0.183 2 0 "[ . 1 . 2]"
1 21 ARG 3.378 0.183 2 0 "[ . 1 . 2]"
1 22 LEU 3.052 0.161 11 0 "[ . 1 . 2]"
1 23 ASP 1.599 0.123 11 0 "[ . 1 . 2]"
1 24 MET 2.199 0.166 2 0 "[ . 1 . 2]"
1 25 GLU 1.651 0.096 16 0 "[ . 1 . 2]"
1 26 ILE 0.894 0.084 10 0 "[ . 1 . 2]"
1 27 ASP 0.261 0.031 17 0 "[ . 1 . 2]"
1 28 GLY 0.586 0.047 12 0 "[ . 1 . 2]"
1 29 GLN 1.843 0.072 17 0 "[ . 1 . 2]"
1 30 LYS 0.844 0.072 17 0 "[ . 1 . 2]"
1 31 LEU 0.579 0.038 17 0 "[ . 1 . 2]"
1 32 ARG 1.844 0.180 14 0 "[ . 1 . 2]"
1 33 ASP 4.238 0.180 14 0 "[ . 1 . 2]"
1 34 ALA 0.220 0.061 11 0 "[ . 1 . 2]"
1 35 PHE 1.085 0.118 19 0 "[ . 1 . 2]"
1 36 THR 0.213 0.032 15 0 "[ . 1 . 2]"
1 37 TRP 3.523 0.240 11 0 "[ . 1 . 2]"
1 38 ASN 5.718 0.228 11 0 "[ . 1 . 2]"
1 39 MET 0.625 0.196 17 0 "[ . 1 . 2]"
1 40 ASN 3.200 0.249 20 0 "[ . 1 . 2]"
1 41 GLU 3.924 0.228 11 0 "[ . 1 . 2]"
1 42 LYS 1.076 0.213 14 0 "[ . 1 . 2]"
1 43 LEU 1.529 0.213 14 0 "[ . 1 . 2]"
1 44 MET 0.214 0.023 16 0 "[ . 1 . 2]"
1 45 THR 0.221 0.028 5 0 "[ . 1 . 2]"
1 46 PRO 0.007 0.006 14 0 "[ . 1 . 2]"
1 47 GLU 0.131 0.072 5 0 "[ . 1 . 2]"
1 48 MET 0.720 0.110 18 0 "[ . 1 . 2]"
1 49 PHE 0.493 0.061 2 0 "[ . 1 . 2]"
1 50 SER 0.018 0.009 8 0 "[ . 1 . 2]"
1 51 GLU 0.886 0.082 11 0 "[ . 1 . 2]"
1 52 ILE 1.012 0.082 11 0 "[ . 1 . 2]"
1 53 LEU 0.475 0.036 19 0 "[ . 1 . 2]"
1 54 CYS 0.294 0.036 19 0 "[ . 1 . 2]"
1 55 ASP 0.554 0.035 16 0 "[ . 1 . 2]"
1 56 ASP 0.063 0.020 16 0 "[ . 1 . 2]"
1 57 LEU 0.076 0.020 16 0 "[ . 1 . 2]"
1 58 ASP 0.096 0.025 18 0 "[ . 1 . 2]"
1 59 LEU 0.636 0.044 1 0 "[ . 1 . 2]"
1 60 ASN 0.699 0.179 4 0 "[ . 1 . 2]"
1 61 PRO 0.178 0.027 5 0 "[ . 1 . 2]"
1 62 LEU 1.503 0.198 13 0 "[ . 1 . 2]"
1 63 THR 1.697 0.318 9 0 "[ . 1 . 2]"
1 64 PHE 1.330 0.318 9 0 "[ . 1 . 2]"
1 65 VAL 0.309 0.055 14 0 "[ . 1 . 2]"
1 66 PRO 0.360 0.039 14 0 "[ . 1 . 2]"
1 67 ALA 0.015 0.007 13 0 "[ . 1 . 2]"
1 68 ILE 0.534 0.084 10 0 "[ . 1 . 2]"
1 69 ALA 0.214 0.055 14 0 "[ . 1 . 2]"
1 70 SER 0.044 0.028 16 0 "[ . 1 . 2]"
1 71 ALA 0.056 0.009 1 0 "[ . 1 . 2]"
1 72 ILE 0.790 0.066 10 0 "[ . 1 . 2]"
1 73 ARG 0.548 0.081 10 0 "[ . 1 . 2]"
1 74 GLN 2.171 0.283 20 0 "[ . 1 . 2]"
1 75 GLN 4.520 0.109 10 0 "[ . 1 . 2]"
1 76 ILE 2.791 0.106 17 0 "[ . 1 . 2]"
1 77 GLU 0.790 0.157 2 0 "[ . 1 . 2]"
1 78 SER 0.784 0.127 4 0 "[ . 1 . 2]"
1 79 TYR 1.670 0.258 16 0 "[ . 1 . 2]"
1 80 PRO 2.568 0.253 16 0 "[ . 1 . 2]"
1 81 THR 3.891 0.372 18 0 "[ . 1 . 2]"
1 82 ASP 1.438 0.300 10 0 "[ . 1 . 2]"
1 83 SER 0.664 0.146 5 0 "[ . 1 . 2]"
1 84 ILE 0.618 0.116 13 0 "[ . 1 . 2]"
1 85 LEU 1.028 0.276 20 0 "[ . 1 . 2]"
1 86 GLU 0.852 0.276 20 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 0.000 0.000 . 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 4 PRO HA 1 5 ALA H . . 3.170 2.419 2.150 3.365 0.195 6 0 "[ . 1 . 2]" 1
2 1 5 ALA H 1 5 ALA MB . . 3.040 2.618 2.262 2.874 . 0 0 "[ . 1 . 2]" 1
3 1 5 ALA H 1 6 VAL H . . 3.520 3.104 2.431 3.489 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA HA 1 6 VAL H . . 3.150 2.546 2.200 2.986 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA MB 1 6 VAL H . . 3.800 3.646 3.516 3.720 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL H 1 6 VAL HB . . 3.870 3.040 2.487 3.805 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL MG1 . . 3.830 2.865 1.968 3.831 0.001 13 0 "[ . 1 . 2]" 1
8 1 6 VAL H 1 6 VAL QG . . 3.190 2.142 1.913 2.733 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL H 1 6 VAL MG2 . . 3.830 2.695 1.982 3.830 0.000 12 0 "[ . 1 . 2]" 1
10 1 6 VAL H 1 7 ILE H . . 4.850 4.527 4.408 4.636 . 0 0 "[ . 1 . 2]" 1
11 1 6 VAL HA 1 7 ILE H . . 2.850 2.299 2.144 2.590 . 0 0 "[ . 1 . 2]" 1
12 1 6 VAL HB 1 7 ILE H . . 4.260 3.378 1.988 4.210 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL QG 1 7 ILE H . . 4.210 2.656 1.916 3.339 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE H 1 7 ILE HB . . 3.790 3.216 2.514 3.955 0.165 7 0 "[ . 1 . 2]" 1
15 1 7 ILE H 1 7 ILE HG12 . . 4.150 3.181 2.034 4.657 0.507 15 1 "[ . 1 + 2]" 1
16 1 7 ILE H 1 7 ILE QG . . 3.580 2.460 1.974 3.971 0.391 15 0 "[ . 1 . 2]" 1
17 1 7 ILE H 1 7 ILE HG13 . . 4.150 2.869 2.102 4.306 0.156 15 0 "[ . 1 . 2]" 1
18 1 7 ILE H 1 7 ILE MG . . 4.750 3.255 1.949 3.946 . 0 0 "[ . 1 . 2]" 1
19 1 7 ILE HB 1 8 HIS H . . 4.990 3.521 1.952 4.426 . 0 0 "[ . 1 . 2]" 1
20 1 10 ASN HA 1 10 ASN HD21 . . 4.080 2.692 1.981 3.525 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASN HA 1 10 ASN HD22 . . 4.080 3.714 3.304 4.067 . 0 0 "[ . 1 . 2]" 1
22 1 11 ALA HA 1 12 SER H . . 3.260 2.374 2.160 2.757 . 0 0 "[ . 1 . 2]" 1
23 1 11 ALA MB 1 12 SER H . . 4.270 2.832 2.281 3.715 . 0 0 "[ . 1 . 2]" 1
24 1 11 ALA MB 1 13 GLN HE21 . . 5.500 4.500 2.241 5.486 . 0 0 "[ . 1 . 2]" 1
25 1 11 ALA MB 1 13 GLN HE22 . . 5.500 4.178 2.330 5.504 0.004 13 0 "[ . 1 . 2]" 1
26 1 12 SER H 1 12 SER QB . . 3.470 2.734 2.165 3.396 . 0 0 "[ . 1 . 2]" 1
27 1 12 SER H 1 13 GLN QE . . 4.870 4.130 2.874 4.874 0.004 13 0 "[ . 1 . 2]" 1
28 1 12 SER HA 1 13 GLN H . . 3.450 2.513 2.179 3.457 0.007 4 0 "[ . 1 . 2]" 1
29 1 12 SER QB 1 13 GLN H . . 4.430 2.931 1.936 4.031 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLN H 1 13 GLN QB . . 3.600 2.560 2.148 3.279 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLN H 1 13 GLN QG . . 4.440 3.466 2.051 4.242 . 0 0 "[ . 1 . 2]" 1
32 1 13 GLN HA 1 13 GLN HE21 . . 4.680 3.471 1.961 4.443 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLN HA 1 13 GLN QE . . 4.030 3.274 1.954 4.010 . 0 0 "[ . 1 . 2]" 1
34 1 13 GLN HA 1 13 GLN HE22 . . 4.680 4.191 3.065 4.770 0.090 7 0 "[ . 1 . 2]" 1
35 1 14 PRO HA 1 15 GLU H . . 2.710 2.429 2.153 2.650 . 0 0 "[ . 1 . 2]" 1
36 1 14 PRO QB 1 15 GLU H . . 3.370 2.552 2.026 3.362 . 0 0 "[ . 1 . 2]" 1
37 1 15 GLU H 1 15 GLU QB . . 3.240 2.472 2.068 3.118 . 0 0 "[ . 1 . 2]" 1
38 1 15 GLU H 1 15 GLU QG . . 3.580 3.004 1.980 3.590 0.010 10 0 "[ . 1 . 2]" 1
39 1 15 GLU H 1 16 VAL H . . 4.630 4.532 4.340 4.646 0.016 3 0 "[ . 1 . 2]" 1
40 1 15 GLU H 1 16 VAL QG . . 4.850 4.554 3.981 4.853 0.003 14 0 "[ . 1 . 2]" 1
41 1 15 GLU H 1 17 LEU QD . . 4.590 4.362 3.412 4.606 0.016 13 0 "[ . 1 . 2]" 1
42 1 15 GLU HA 1 16 VAL H . . 2.710 2.333 2.169 2.697 . 0 0 "[ . 1 . 2]" 1
43 1 15 GLU HA 1 38 ASN HD21 . . 5.470 4.723 4.232 5.350 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLU HA 1 40 ASN HD21 . . 4.830 3.660 3.238 4.969 0.139 20 0 "[ . 1 . 2]" 1
45 1 15 GLU HA 1 40 ASN HD22 . . 4.970 4.357 3.454 4.976 0.006 13 0 "[ . 1 . 2]" 1
46 1 15 GLU QB 1 16 VAL H . . 3.250 2.681 2.004 3.121 . 0 0 "[ . 1 . 2]" 1
47 1 15 GLU QB 1 17 LEU H . . 5.050 4.511 4.208 5.050 0.000 15 0 "[ . 1 . 2]" 1
48 1 15 GLU QB 1 38 ASN HD21 . . 4.580 3.670 3.131 4.233 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLU QG 1 16 VAL H . . 4.090 3.674 2.817 4.100 0.010 17 0 "[ . 1 . 2]" 1
50 1 15 GLU QG 1 38 ASN HD22 . . 4.320 3.201 2.104 4.074 . 0 0 "[ . 1 . 2]" 1
51 1 15 GLU QG 1 40 ASN HD21 . . 5.470 4.664 3.505 5.469 . 0 0 "[ . 1 . 2]" 1
52 1 16 VAL H 1 16 VAL HB . . 3.540 2.729 2.627 2.814 . 0 0 "[ . 1 . 2]" 1
53 1 16 VAL H 1 16 VAL QG . . 3.090 2.629 2.467 2.746 . 0 0 "[ . 1 . 2]" 1
54 1 16 VAL H 1 17 LEU H . . 4.150 4.133 4.040 4.191 0.041 8 0 "[ . 1 . 2]" 1
55 1 16 VAL H 1 17 LEU HA . . 5.300 4.873 4.810 4.975 . 0 0 "[ . 1 . 2]" 1
56 1 16 VAL H 1 17 LEU QD . . 4.230 3.680 3.043 4.051 . 0 0 "[ . 1 . 2]" 1
57 1 16 VAL H 1 17 LEU HG . . 5.500 4.256 3.749 5.510 0.010 4 0 "[ . 1 . 2]" 1
58 1 16 VAL H 1 38 ASN HA . . 5.500 4.717 4.600 4.884 . 0 0 "[ . 1 . 2]" 1
59 1 16 VAL H 1 38 ASN HB3 . . 5.500 5.487 5.290 5.553 0.053 5 0 "[ . 1 . 2]" 1
60 1 16 VAL H 1 38 ASN HD21 . . 4.660 3.001 2.837 3.096 . 0 0 "[ . 1 . 2]" 1
61 1 16 VAL H 1 38 ASN HD22 . . 4.470 2.083 1.892 2.332 . 0 0 "[ . 1 . 2]" 1
62 1 16 VAL H 1 39 MET H . . 4.800 4.564 4.233 4.865 0.065 20 0 "[ . 1 . 2]" 1
63 1 16 VAL H 1 40 ASN H . . 4.180 4.010 3.780 4.297 0.117 20 0 "[ . 1 . 2]" 1
64 1 16 VAL H 1 40 ASN HB2 . . 4.680 3.569 3.093 4.688 0.008 20 0 "[ . 1 . 2]" 1
65 1 16 VAL H 1 40 ASN HB3 . . 5.500 4.940 4.441 5.265 . 0 0 "[ . 1 . 2]" 1
66 1 16 VAL H 1 40 ASN HD21 . . 3.830 2.114 1.915 3.178 . 0 0 "[ . 1 . 2]" 1
67 1 16 VAL HA 1 17 LEU H . . 2.690 2.159 2.145 2.177 . 0 0 "[ . 1 . 2]" 1
68 1 16 VAL HB 1 17 LEU H . . 5.500 4.313 4.216 4.398 . 0 0 "[ . 1 . 2]" 1
69 1 16 VAL HB 1 38 ASN HD21 . . 5.140 4.034 3.824 4.334 . 0 0 "[ . 1 . 2]" 1
70 1 16 VAL HB 1 38 ASN HD22 . . 4.500 4.194 3.935 4.516 0.016 19 0 "[ . 1 . 2]" 1
71 1 16 VAL HB 1 39 MET H . . 4.080 3.936 3.690 4.117 0.037 5 0 "[ . 1 . 2]" 1
72 1 16 VAL HB 1 40 ASN H . . 4.690 4.254 3.869 4.564 . 0 0 "[ . 1 . 2]" 1
73 1 16 VAL HB 1 40 ASN HD21 . . 4.420 2.601 2.150 3.420 . 0 0 "[ . 1 . 2]" 1
74 1 16 VAL HB 1 40 ASN HD22 . . 4.340 2.122 1.952 2.254 . 0 0 "[ . 1 . 2]" 1
75 1 16 VAL QG 1 17 LEU H . . 3.230 2.989 2.851 3.139 . 0 0 "[ . 1 . 2]" 1
76 1 16 VAL QG 1 39 MET H . . 4.300 3.918 3.728 4.226 . 0 0 "[ . 1 . 2]" 1
77 1 16 VAL QG 1 40 ASN H . . 4.800 4.610 4.357 4.811 0.011 12 0 "[ . 1 . 2]" 1
78 1 16 VAL QG 1 40 ASN HD21 . . 3.900 3.002 2.332 3.842 . 0 0 "[ . 1 . 2]" 1
79 1 16 VAL QG 1 40 ASN HD22 . . 3.760 2.344 1.996 2.944 . 0 0 "[ . 1 . 2]" 1
80 1 17 LEU H 1 17 LEU HB2 . . 3.900 3.021 2.792 3.684 . 0 0 "[ . 1 . 2]" 1
81 1 17 LEU H 1 17 LEU QB . . 3.400 2.864 2.716 3.173 . 0 0 "[ . 1 . 2]" 1
82 1 17 LEU H 1 17 LEU HB3 . . 3.900 3.712 3.417 3.811 . 0 0 "[ . 1 . 2]" 1
83 1 17 LEU H 1 17 LEU QD . . 3.610 2.206 1.991 2.651 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU H 1 17 LEU HG . . 3.210 2.742 1.990 3.102 . 0 0 "[ . 1 . 2]" 1
85 1 17 LEU H 1 18 VAL H . . 4.510 4.421 4.336 4.465 . 0 0 "[ . 1 . 2]" 1
86 1 17 LEU H 1 39 MET H . . 5.350 4.961 4.673 5.345 . 0 0 "[ . 1 . 2]" 1
87 1 17 LEU H 1 40 ASN HD21 . . 5.500 5.523 5.394 5.731 0.231 20 0 "[ . 1 . 2]" 1
88 1 17 LEU HA 1 18 VAL H . . 3.000 2.185 2.145 2.231 . 0 0 "[ . 1 . 2]" 1
89 1 17 LEU QB 1 18 VAL H . . 3.590 3.026 2.837 3.223 . 0 0 "[ . 1 . 2]" 1
90 1 17 LEU QB 1 38 ASN H . . 4.620 3.937 3.495 4.367 . 0 0 "[ . 1 . 2]" 1
91 1 17 LEU QB 1 38 ASN HD21 . . 4.880 4.544 3.455 4.919 0.039 15 0 "[ . 1 . 2]" 1
92 1 17 LEU QB 1 38 ASN HD22 . . 5.340 4.539 3.526 4.915 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU HB2 1 18 VAL H . . 4.210 3.668 2.934 4.014 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU HB3 1 18 VAL H . . 4.210 3.307 3.070 3.771 . 0 0 "[ . 1 . 2]" 1
95 1 17 LEU QD 1 36 THR H . . 5.440 5.315 4.875 5.463 0.023 7 0 "[ . 1 . 2]" 1
96 1 17 LEU QD 1 37 TRP H . . 4.960 4.716 4.312 4.968 0.008 16 0 "[ . 1 . 2]" 1
97 1 17 LEU QD 1 38 ASN H . . 5.440 3.786 2.978 4.623 . 0 0 "[ . 1 . 2]" 1
98 1 17 LEU QD 1 38 ASN HD21 . . 4.520 3.713 2.824 4.139 . 0 0 "[ . 1 . 2]" 1
99 1 17 LEU QD 1 38 ASN HD22 . . 4.370 3.064 2.263 3.469 . 0 0 "[ . 1 . 2]" 1
100 1 17 LEU QD 1 40 ASN H . . 5.440 5.075 4.433 5.456 0.016 10 0 "[ . 1 . 2]" 1
101 1 17 LEU MD1 1 38 ASN HD21 . . 5.430 4.850 4.425 5.495 0.065 5 0 "[ . 1 . 2]" 1
102 1 17 LEU MD1 1 38 ASN HD22 . . 5.500 3.979 3.376 5.056 . 0 0 "[ . 1 . 2]" 1
103 1 17 LEU MD2 1 38 ASN HD21 . . 5.430 3.952 2.832 4.627 . 0 0 "[ . 1 . 2]" 1
104 1 17 LEU MD2 1 38 ASN HD22 . . 5.500 3.429 2.266 3.995 . 0 0 "[ . 1 . 2]" 1
105 1 18 VAL H 1 18 VAL HB . . 3.890 3.277 2.584 3.745 . 0 0 "[ . 1 . 2]" 1
106 1 18 VAL H 1 18 VAL MG1 . . 3.980 3.448 2.900 3.862 . 0 0 "[ . 1 . 2]" 1
107 1 18 VAL H 1 18 VAL QG . . 3.360 2.199 1.914 2.695 . 0 0 "[ . 1 . 2]" 1
108 1 18 VAL H 1 18 VAL MG2 . . 3.980 2.231 1.920 2.753 . 0 0 "[ . 1 . 2]" 1
109 1 18 VAL H 1 36 THR HA . . 4.750 4.423 4.250 4.669 . 0 0 "[ . 1 . 2]" 1
110 1 18 VAL H 1 37 TRP H . . 3.060 3.069 2.995 3.092 0.032 7 0 "[ . 1 . 2]" 1
111 1 18 VAL H 1 37 TRP HA . . 4.820 4.744 4.612 4.936 0.116 11 0 "[ . 1 . 2]" 1
112 1 18 VAL H 1 37 TRP HE1 . . 5.500 5.558 5.499 5.740 0.240 11 0 "[ . 1 . 2]" 1
113 1 18 VAL HB 1 20 ILE H . . 5.110 5.064 4.937 5.195 0.085 11 0 "[ . 1 . 2]" 1
114 1 18 VAL QG 1 20 ILE H . . 5.440 4.324 3.922 5.197 . 0 0 "[ . 1 . 2]" 1
115 1 18 VAL QG 1 37 TRP H . . 4.180 3.710 3.121 4.238 0.058 20 0 "[ . 1 . 2]" 1
116 1 19 PRO HA 1 20 ILE H . . 2.980 2.222 2.156 2.271 . 0 0 "[ . 1 . 2]" 1
117 1 19 PRO HA 1 35 PHE H . . 4.740 4.619 4.524 4.753 0.013 18 0 "[ . 1 . 2]" 1
118 1 19 PRO HA 1 36 THR H . . 4.650 4.277 3.752 4.673 0.023 8 0 "[ . 1 . 2]" 1
119 1 19 PRO HB2 1 20 ILE H . . 4.080 3.986 3.746 4.103 0.023 7 0 "[ . 1 . 2]" 1
120 1 19 PRO HB2 1 35 PHE H . . 5.500 5.540 5.510 5.618 0.118 19 0 "[ . 1 . 2]" 1
121 1 19 PRO HB3 1 20 ILE H . . 4.520 4.329 4.150 4.420 . 0 0 "[ . 1 . 2]" 1
122 1 19 PRO QD 1 20 ILE H . . 4.960 4.767 4.677 4.908 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE H 1 20 ILE HB . . 3.230 2.350 2.190 2.413 . 0 0 "[ . 1 . 2]" 1
124 1 20 ILE H 1 20 ILE MD . . 4.570 3.996 3.764 4.423 . 0 0 "[ . 1 . 2]" 1
125 1 20 ILE H 1 20 ILE QG . . 3.740 2.942 2.518 3.741 0.001 19 0 "[ . 1 . 2]" 1
126 1 20 ILE H 1 20 ILE MG . . 4.030 3.553 3.098 3.747 . 0 0 "[ . 1 . 2]" 1
127 1 20 ILE H 1 21 ARG H . . 4.560 4.458 4.215 4.573 0.013 7 0 "[ . 1 . 2]" 1
128 1 20 ILE H 1 22 LEU QD . . 5.440 4.715 4.340 5.556 0.116 10 0 "[ . 1 . 2]" 1
129 1 20 ILE H 1 34 ALA MB . . 5.460 4.818 4.333 5.306 . 0 0 "[ . 1 . 2]" 1
130 1 20 ILE H 1 35 PHE H . . 3.790 3.566 3.245 3.779 . 0 0 "[ . 1 . 2]" 1
131 1 20 ILE H 1 35 PHE QB . . 5.340 4.519 4.318 5.145 . 0 0 "[ . 1 . 2]" 1
132 1 20 ILE H 1 36 THR HA . . 3.660 2.893 2.398 3.198 . 0 0 "[ . 1 . 2]" 1
133 1 20 ILE H 1 36 THR HB . . 5.500 5.243 4.636 5.532 0.032 15 0 "[ . 1 . 2]" 1
134 1 20 ILE H 1 37 TRP H . . 4.390 3.238 2.893 3.940 . 0 0 "[ . 1 . 2]" 1
135 1 20 ILE HA 1 21 ARG H . . 2.820 2.172 2.140 2.211 . 0 0 "[ . 1 . 2]" 1
136 1 20 ILE HA 1 35 PHE H . . 5.250 5.017 4.814 5.144 . 0 0 "[ . 1 . 2]" 1
137 1 20 ILE HA 1 75 GLN HE21 . . 5.220 4.631 3.670 5.146 . 0 0 "[ . 1 . 2]" 1
138 1 20 ILE HA 1 75 GLN HE22 . . 5.070 3.770 3.279 4.117 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE HB 1 21 ARG H . . 5.040 4.334 4.128 4.491 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE HB 1 35 PHE H . . 4.740 3.914 3.246 4.443 . 0 0 "[ . 1 . 2]" 1
141 1 20 ILE HB 1 37 TRP H . . 4.690 3.958 3.513 4.482 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE MD 1 21 ARG H . . 4.270 3.744 3.096 4.444 0.174 7 0 "[ . 1 . 2]" 1
143 1 20 ILE MD 1 37 TRP H . . 5.150 4.703 4.364 4.897 . 0 0 "[ . 1 . 2]" 1
144 1 20 ILE MD 1 72 ILE H . . 5.500 5.030 4.461 5.424 . 0 0 "[ . 1 . 2]" 1
145 1 20 ILE MD 1 73 ARG H . . 5.500 5.326 4.821 5.581 0.081 10 0 "[ . 1 . 2]" 1
146 1 20 ILE MD 1 74 GLN H . . 5.500 5.353 4.980 5.560 0.060 10 0 "[ . 1 . 2]" 1
147 1 20 ILE MD 1 75 GLN H . . 4.180 3.972 3.663 4.289 0.109 10 0 "[ . 1 . 2]" 1
148 1 20 ILE MD 1 75 GLN HE21 . . 5.490 3.123 2.212 3.603 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE MD 1 75 GLN HE22 . . 5.410 3.556 3.297 3.842 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE QG 1 21 ARG H . . 4.470 3.999 2.853 4.653 0.183 2 0 "[ . 1 . 2]" 1
151 1 20 ILE QG 1 37 TRP H . . 4.610 3.722 3.056 4.701 0.091 16 0 "[ . 1 . 2]" 1
152 1 20 ILE QG 1 75 GLN HE21 . . 5.340 4.338 2.555 5.322 . 0 0 "[ . 1 . 2]" 1
153 1 20 ILE QG 1 75 GLN HE22 . . 5.340 4.332 2.732 5.219 . 0 0 "[ . 1 . 2]" 1
154 1 20 ILE MG 1 21 ARG H . . 3.410 2.640 2.260 3.265 . 0 0 "[ . 1 . 2]" 1
155 1 20 ILE MG 1 22 LEU H . . 4.460 3.779 3.497 3.998 . 0 0 "[ . 1 . 2]" 1
156 1 20 ILE MG 1 35 PHE H . . 4.310 3.669 2.681 4.262 . 0 0 "[ . 1 . 2]" 1
157 1 20 ILE MG 1 37 TRP H . . 5.500 5.216 4.762 5.570 0.070 11 0 "[ . 1 . 2]" 1
158 1 20 ILE MG 1 72 ILE H . . 5.000 4.646 4.353 5.017 0.017 18 0 "[ . 1 . 2]" 1
159 1 20 ILE MG 1 75 GLN H . . 5.500 5.252 4.931 5.588 0.088 19 0 "[ . 1 . 2]" 1
160 1 20 ILE MG 1 75 GLN HE21 . . 4.530 2.534 1.952 2.959 . 0 0 "[ . 1 . 2]" 1
161 1 20 ILE MG 1 75 GLN HE22 . . 4.390 2.118 1.950 2.499 . 0 0 "[ . 1 . 2]" 1
162 1 21 ARG H 1 21 ARG HB2 . . 3.440 3.028 2.915 3.195 . 0 0 "[ . 1 . 2]" 1
163 1 21 ARG H 1 21 ARG HB3 . . 3.660 2.492 2.337 2.580 . 0 0 "[ . 1 . 2]" 1
164 1 21 ARG H 1 21 ARG QD . . 4.790 4.728 4.550 4.796 0.006 3 0 "[ . 1 . 2]" 1
165 1 21 ARG H 1 21 ARG HG2 . . 4.950 4.398 4.160 4.513 . 0 0 "[ . 1 . 2]" 1
166 1 21 ARG H 1 21 ARG QG . . 4.310 3.974 3.871 4.025 . 0 0 "[ . 1 . 2]" 1
167 1 21 ARG H 1 21 ARG HG3 . . 4.950 4.533 4.500 4.608 . 0 0 "[ . 1 . 2]" 1
168 1 21 ARG H 1 22 LEU H . . 4.520 4.340 4.264 4.381 . 0 0 "[ . 1 . 2]" 1
169 1 21 ARG H 1 22 LEU MD1 . . 5.500 3.931 3.551 5.652 0.152 10 0 "[ . 1 . 2]" 1
170 1 21 ARG H 1 22 LEU QD . . 4.280 3.606 3.290 4.323 0.043 17 0 "[ . 1 . 2]" 1
171 1 21 ARG H 1 22 LEU MD2 . . 5.500 4.344 3.887 4.490 . 0 0 "[ . 1 . 2]" 1
172 1 21 ARG H 1 34 ALA HA . . 4.980 4.643 4.320 4.941 . 0 0 "[ . 1 . 2]" 1
173 1 21 ARG H 1 34 ALA MB . . 4.920 4.718 4.066 4.981 0.061 11 0 "[ . 1 . 2]" 1
174 1 21 ARG H 1 35 PHE H . . 5.270 5.133 4.931 5.346 0.076 10 0 "[ . 1 . 2]" 1
175 1 21 ARG H 1 75 GLN HB2 . . 5.190 5.051 4.509 5.251 0.061 5 0 "[ . 1 . 2]" 1
176 1 21 ARG H 1 75 GLN QB . . 4.540 4.291 4.072 4.522 . 0 0 "[ . 1 . 2]" 1
177 1 21 ARG H 1 75 GLN HB3 . . 5.190 4.647 4.350 4.952 . 0 0 "[ . 1 . 2]" 1
178 1 21 ARG H 1 75 GLN HE21 . . 4.520 4.035 3.825 4.422 . 0 0 "[ . 1 . 2]" 1
179 1 21 ARG H 1 75 GLN HE22 . . 3.610 2.553 2.223 2.969 . 0 0 "[ . 1 . 2]" 1
180 1 21 ARG H 1 75 GLN HG2 . . 5.500 5.323 4.990 5.527 0.027 16 0 "[ . 1 . 2]" 1
181 1 21 ARG H 1 75 GLN HG3 . . 5.500 5.198 4.670 5.401 . 0 0 "[ . 1 . 2]" 1
182 1 21 ARG HA 1 22 LEU H . . 3.520 2.142 2.140 2.144 . 0 0 "[ . 1 . 2]" 1
183 1 21 ARG HA 1 35 PHE H . . 4.870 3.669 3.492 4.000 . 0 0 "[ . 1 . 2]" 1
184 1 21 ARG HB2 1 22 LEU H . . 4.290 4.258 4.201 4.309 0.019 17 0 "[ . 1 . 2]" 1
185 1 21 ARG HB3 1 75 GLN HE21 . . 5.500 5.518 5.297 5.568 0.068 19 0 "[ . 1 . 2]" 1
186 1 21 ARG HB3 1 75 GLN HE22 . . 5.200 3.878 3.688 4.160 . 0 0 "[ . 1 . 2]" 1
187 1 21 ARG QD 1 22 LEU H . . 5.090 4.738 4.417 5.076 . 0 0 "[ . 1 . 2]" 1
188 1 21 ARG QG 1 22 LEU H . . 3.250 2.817 2.664 3.065 . 0 0 "[ . 1 . 2]" 1
189 1 21 ARG QG 1 23 ASP H . . 3.950 3.688 3.393 3.815 . 0 0 "[ . 1 . 2]" 1
190 1 21 ARG QG 1 75 GLN HE22 . . 4.740 4.514 4.178 4.742 0.002 10 0 "[ . 1 . 2]" 1
191 1 21 ARG HG2 1 22 LEU H . . 3.910 3.877 3.650 3.930 0.020 11 0 "[ . 1 . 2]" 1
192 1 21 ARG HG2 1 23 ASP H . . 4.650 3.886 3.482 4.053 . 0 0 "[ . 1 . 2]" 1
193 1 21 ARG HG2 1 75 GLN HE22 . . 5.500 4.896 4.370 5.171 . 0 0 "[ . 1 . 2]" 1
194 1 21 ARG HG3 1 22 LEU H . . 3.910 2.899 2.711 3.294 . 0 0 "[ . 1 . 2]" 1
195 1 21 ARG HG3 1 23 ASP H . . 4.650 4.604 4.408 4.686 0.036 5 0 "[ . 1 . 2]" 1
196 1 21 ARG HG3 1 75 GLN HE22 . . 5.500 5.309 5.180 5.526 0.026 11 0 "[ . 1 . 2]" 1
197 1 22 LEU H 1 22 LEU HB2 . . 3.210 2.623 2.547 2.735 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU H 1 22 LEU HB3 . . 3.750 3.676 3.650 3.739 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU H 1 22 LEU MD1 . . 3.770 2.867 2.709 3.453 . 0 0 "[ . 1 . 2]" 1
200 1 22 LEU H 1 22 LEU MD2 . . 3.770 2.138 1.881 3.819 0.049 10 0 "[ . 1 . 2]" 1
201 1 22 LEU H 1 22 LEU HG . . 3.880 3.812 2.422 4.041 0.161 11 0 "[ . 1 . 2]" 1
202 1 22 LEU H 1 33 ASP H . . 3.480 3.352 3.220 3.508 0.028 17 0 "[ . 1 . 2]" 1
203 1 22 LEU H 1 33 ASP QB . . 4.520 3.727 3.238 4.633 0.113 16 0 "[ . 1 . 2]" 1
204 1 22 LEU H 1 34 ALA HA . . 3.590 3.445 3.093 3.620 0.030 10 0 "[ . 1 . 2]" 1
205 1 22 LEU H 1 34 ALA MB . . 4.520 4.350 4.030 4.531 0.011 8 0 "[ . 1 . 2]" 1
206 1 22 LEU H 1 35 PHE H . . 4.860 4.593 4.140 4.915 0.055 17 0 "[ . 1 . 2]" 1
207 1 22 LEU HA 1 23 ASP H . . 3.390 2.184 2.177 2.193 . 0 0 "[ . 1 . 2]" 1
208 1 22 LEU HB2 1 23 ASP H . . 4.530 4.345 4.316 4.379 . 0 0 "[ . 1 . 2]" 1
209 1 22 LEU HB2 1 33 ASP H . . 3.870 3.562 3.192 3.881 0.011 17 0 "[ . 1 . 2]" 1
210 1 22 LEU HB3 1 23 ASP H . . 4.040 3.833 3.800 3.882 . 0 0 "[ . 1 . 2]" 1
211 1 22 LEU QD 1 23 ASP H . . 4.190 3.833 3.737 4.223 0.033 10 0 "[ . 1 . 2]" 1
212 1 22 LEU QD 1 33 ASP H . . 4.440 3.704 3.368 4.473 0.033 17 0 "[ . 1 . 2]" 1
213 1 22 LEU QD 1 35 PHE H . . 4.960 3.221 2.479 4.364 . 0 0 "[ . 1 . 2]" 1
214 1 22 LEU QD 1 75 GLN HE21 . . 4.180 2.662 2.192 2.916 . 0 0 "[ . 1 . 2]" 1
215 1 22 LEU QD 1 75 GLN HE22 . . 4.130 2.376 1.909 2.537 . 0 0 "[ . 1 . 2]" 1
216 1 22 LEU MD1 1 75 GLN HE21 . . 5.500 2.933 2.200 5.557 0.057 10 0 "[ . 1 . 2]" 1
217 1 22 LEU MD1 1 75 GLN HE22 . . 5.500 2.610 1.917 4.809 . 0 0 "[ . 1 . 2]" 1
218 1 22 LEU MD2 1 75 GLN HE21 . . 5.500 4.543 2.522 5.131 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU MD2 1 75 GLN HE22 . . 5.500 3.907 2.497 4.303 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU HG 1 75 GLN HE22 . . 5.500 5.205 3.233 5.535 0.035 11 0 "[ . 1 . 2]" 1
221 1 23 ASP H 1 23 ASP HB2 . . 3.780 3.196 2.415 3.713 . 0 0 "[ . 1 . 2]" 1
222 1 23 ASP H 1 23 ASP QB . . 3.310 2.672 2.336 3.046 . 0 0 "[ . 1 . 2]" 1
223 1 23 ASP H 1 23 ASP HB3 . . 3.780 2.959 2.400 3.637 . 0 0 "[ . 1 . 2]" 1
224 1 23 ASP H 1 24 MET H . . 4.240 4.165 4.100 4.277 0.037 5 0 "[ . 1 . 2]" 1
225 1 23 ASP H 1 24 MET HB3 . . 4.840 4.784 4.609 4.873 0.033 19 0 "[ . 1 . 2]" 1
226 1 23 ASP H 1 71 ALA MB . . 5.200 3.922 3.422 4.483 . 0 0 "[ . 1 . 2]" 1
227 1 23 ASP H 1 75 GLN HE21 . . 5.500 5.226 4.873 5.562 0.062 10 0 "[ . 1 . 2]" 1
228 1 23 ASP H 1 75 GLN HE22 . . 5.110 4.483 4.140 4.827 . 0 0 "[ . 1 . 2]" 1
229 1 23 ASP HA 1 24 MET H . . 2.740 2.165 2.143 2.176 . 0 0 "[ . 1 . 2]" 1
230 1 23 ASP HA 1 33 ASP H . . 4.210 4.270 4.235 4.333 0.123 11 0 "[ . 1 . 2]" 1
231 1 23 ASP QB 1 24 MET H . . 3.920 3.725 3.414 3.944 0.024 18 0 "[ . 1 . 2]" 1
232 1 23 ASP HB2 1 24 MET H . . 4.640 4.147 3.585 4.592 . 0 0 "[ . 1 . 2]" 1
233 1 23 ASP HB3 1 24 MET H . . 4.640 4.301 3.811 4.533 . 0 0 "[ . 1 . 2]" 1
234 1 24 MET H 1 24 MET HB2 . . 4.140 3.837 3.796 3.897 . 0 0 "[ . 1 . 2]" 1
235 1 24 MET H 1 24 MET HB3 . . 3.750 3.293 3.074 3.510 . 0 0 "[ . 1 . 2]" 1
236 1 24 MET H 1 24 MET HG2 . . 4.070 2.699 2.097 3.540 . 0 0 "[ . 1 . 2]" 1
237 1 24 MET H 1 24 MET QG . . 3.430 2.247 2.083 2.492 . 0 0 "[ . 1 . 2]" 1
238 1 24 MET H 1 24 MET HG3 . . 4.070 3.048 2.146 3.994 . 0 0 "[ . 1 . 2]" 1
239 1 24 MET H 1 25 GLU H . . 4.440 4.351 4.239 4.432 . 0 0 "[ . 1 . 2]" 1
240 1 24 MET H 1 31 LEU H . . 3.910 3.892 3.633 3.945 0.035 6 0 "[ . 1 . 2]" 1
241 1 24 MET H 1 31 LEU HB3 . . 3.990 3.202 2.757 4.003 0.013 20 0 "[ . 1 . 2]" 1
242 1 24 MET H 1 33 ASP H . . 5.500 5.541 5.467 5.666 0.166 2 0 "[ . 1 . 2]" 1
243 1 24 MET HA 1 25 GLU H . . 2.700 2.207 2.184 2.254 . 0 0 "[ . 1 . 2]" 1
244 1 24 MET HB2 1 25 GLU H . . 3.470 3.012 2.836 3.106 . 0 0 "[ . 1 . 2]" 1
245 1 24 MET HB3 1 25 GLU H . . 4.050 4.033 3.856 4.146 0.096 16 0 "[ . 1 . 2]" 1
246 1 24 MET QG 1 25 GLU H . . 4.180 4.149 3.935 4.245 0.065 8 0 "[ . 1 . 2]" 1
247 1 24 MET QG 1 31 LEU H . . 5.090 4.011 3.504 4.417 . 0 0 "[ . 1 . 2]" 1
248 1 25 GLU H 1 25 GLU HB2 . . 3.000 2.572 2.556 2.595 . 0 0 "[ . 1 . 2]" 1
249 1 25 GLU H 1 25 GLU HB3 . . 4.050 3.652 3.544 3.713 . 0 0 "[ . 1 . 2]" 1
250 1 25 GLU H 1 25 GLU QG . . 4.290 3.603 3.372 4.128 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLU H 1 26 ILE HB . . 5.500 5.508 5.452 5.568 0.068 9 0 "[ . 1 . 2]" 1
252 1 25 GLU H 1 26 ILE MD . . 4.940 3.694 3.192 4.032 . 0 0 "[ . 1 . 2]" 1
253 1 25 GLU H 1 26 ILE HG12 . . 5.440 5.082 4.985 5.208 . 0 0 "[ . 1 . 2]" 1
254 1 25 GLU H 1 26 ILE HG13 . . 4.610 3.436 3.359 3.600 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLU HA 1 26 ILE H . . 2.860 2.183 2.152 2.197 . 0 0 "[ . 1 . 2]" 1
256 1 25 GLU HA 1 28 GLY H . . 5.100 4.922 4.800 5.106 0.006 2 0 "[ . 1 . 2]" 1
257 1 25 GLU HA 1 29 GLN H . . 4.110 3.935 3.828 4.067 . 0 0 "[ . 1 . 2]" 1
258 1 25 GLU HA 1 30 LYS H . . 5.390 5.315 5.260 5.382 . 0 0 "[ . 1 . 2]" 1
259 1 25 GLU HA 1 31 LEU H . . 4.310 4.044 3.794 4.302 . 0 0 "[ . 1 . 2]" 1
260 1 25 GLU HB3 1 26 ILE H . . 3.930 3.871 3.725 3.935 0.005 17 0 "[ . 1 . 2]" 1
261 1 25 GLU HB3 1 27 ASP H . . 5.500 5.446 5.195 5.531 0.031 17 0 "[ . 1 . 2]" 1
262 1 25 GLU HB3 1 28 GLY H . . 4.240 4.241 4.157 4.287 0.047 12 0 "[ . 1 . 2]" 1
263 1 25 GLU QG 1 26 ILE H . . 4.600 4.045 3.901 4.206 . 0 0 "[ . 1 . 2]" 1
264 1 25 GLU QG 1 30 LYS H . . 4.860 4.691 4.265 4.874 0.014 3 0 "[ . 1 . 2]" 1
265 1 25 GLU QG 1 31 LEU H . . 3.870 3.423 3.043 3.882 0.012 13 0 "[ . 1 . 2]" 1
266 1 26 ILE H 1 26 ILE HB . . 3.450 2.680 2.612 2.762 . 0 0 "[ . 1 . 2]" 1
267 1 26 ILE H 1 26 ILE MD . . 4.150 3.167 2.702 3.512 . 0 0 "[ . 1 . 2]" 1
268 1 26 ILE H 1 26 ILE HG12 . . 4.520 4.379 4.289 4.503 . 0 0 "[ . 1 . 2]" 1
269 1 26 ILE H 1 26 ILE HG13 . . 3.730 3.081 2.931 3.301 . 0 0 "[ . 1 . 2]" 1
270 1 26 ILE H 1 26 ILE MG . . 4.020 3.866 3.833 3.898 . 0 0 "[ . 1 . 2]" 1
271 1 26 ILE H 1 27 ASP H . . 4.930 4.321 4.202 4.398 . 0 0 "[ . 1 . 2]" 1
272 1 26 ILE H 1 27 ASP HB2 . . 5.500 5.444 5.227 5.505 0.005 16 0 "[ . 1 . 2]" 1
273 1 26 ILE H 1 27 ASP HB3 . . 5.500 5.435 5.345 5.506 0.006 10 0 "[ . 1 . 2]" 1
274 1 26 ILE H 1 28 GLY H . . 4.350 4.081 3.902 4.215 . 0 0 "[ . 1 . 2]" 1
275 1 26 ILE H 1 28 GLY HA2 . . 5.360 5.272 5.126 5.374 0.014 17 0 "[ . 1 . 2]" 1
276 1 26 ILE H 1 29 GLN H . . 3.060 2.908 2.709 3.071 0.011 6 0 "[ . 1 . 2]" 1
277 1 26 ILE H 1 29 GLN HB2 . . 4.450 3.993 3.746 4.225 . 0 0 "[ . 1 . 2]" 1
278 1 26 ILE H 1 29 GLN HB3 . . 3.920 2.318 2.122 2.522 . 0 0 "[ . 1 . 2]" 1
279 1 26 ILE HA 1 27 ASP H . . 3.440 2.150 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
280 1 26 ILE HB 1 27 ASP H . . 5.300 4.181 4.135 4.291 . 0 0 "[ . 1 . 2]" 1
281 1 26 ILE HB 1 28 GLY H . . 5.420 5.288 5.169 5.392 . 0 0 "[ . 1 . 2]" 1
282 1 26 ILE HB 1 29 GLN H . . 4.460 4.376 4.278 4.463 0.003 6 0 "[ . 1 . 2]" 1
283 1 26 ILE MD 1 27 ASP H . . 5.380 5.255 5.181 5.349 . 0 0 "[ . 1 . 2]" 1
284 1 26 ILE MD 1 29 GLN H . . 5.500 5.382 5.018 5.519 0.019 9 0 "[ . 1 . 2]" 1
285 1 26 ILE MD 1 63 THR H . . 5.400 5.105 4.666 5.419 0.019 9 0 "[ . 1 . 2]" 1
286 1 26 ILE MD 1 64 PHE H . . 5.070 4.728 4.201 5.072 0.002 5 0 "[ . 1 . 2]" 1
287 1 26 ILE MD 1 67 ALA H . . 5.180 4.990 4.703 5.179 . 0 0 "[ . 1 . 2]" 1
288 1 26 ILE MD 1 68 ILE H . . 5.500 5.490 5.042 5.584 0.084 10 0 "[ . 1 . 2]" 1
289 1 26 ILE HG12 1 27 ASP H . . 5.040 4.769 4.615 5.021 . 0 0 "[ . 1 . 2]" 1
290 1 26 ILE HG13 1 27 ASP H . . 4.940 4.572 4.459 4.687 . 0 0 "[ . 1 . 2]" 1
291 1 26 ILE MG 1 27 ASP H . . 4.040 2.521 2.315 2.707 . 0 0 "[ . 1 . 2]" 1
292 1 26 ILE MG 1 28 GLY H . . 4.830 4.510 4.415 4.649 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE MG 1 29 GLN H . . 4.640 4.592 4.484 4.650 0.010 20 0 "[ . 1 . 2]" 1
294 1 27 ASP H 1 28 GLY H . . 4.030 2.674 2.627 2.717 . 0 0 "[ . 1 . 2]" 1
295 1 27 ASP H 1 29 GLN H . . 4.870 4.047 3.984 4.087 . 0 0 "[ . 1 . 2]" 1
296 1 27 ASP HA 1 28 GLY H . . 3.140 2.932 2.880 2.990 . 0 0 "[ . 1 . 2]" 1
297 1 27 ASP HB2 1 28 GLY H . . 4.580 4.432 4.337 4.492 . 0 0 "[ . 1 . 2]" 1
298 1 27 ASP HB3 1 28 GLY H . . 4.120 4.105 4.048 4.148 0.028 16 0 "[ . 1 . 2]" 1
299 1 27 ASP HB3 1 29 GLN H . . 4.110 3.780 3.658 3.878 . 0 0 "[ . 1 . 2]" 1
300 1 28 GLY H 1 28 GLY HA2 . . 2.920 2.321 2.314 2.331 . 0 0 "[ . 1 . 2]" 1
301 1 28 GLY H 1 29 GLN H . . 3.230 2.453 2.388 2.490 . 0 0 "[ . 1 . 2]" 1
302 1 28 GLY H 1 29 GLN HA . . 5.200 5.115 5.060 5.146 . 0 0 "[ . 1 . 2]" 1
303 1 28 GLY H 1 29 GLN HB2 . . 5.120 5.077 4.876 5.137 0.017 1 0 "[ . 1 . 2]" 1
304 1 28 GLY H 1 29 GLN HB3 . . 4.630 4.575 4.400 4.668 0.038 6 0 "[ . 1 . 2]" 1
305 1 28 GLY HA2 1 29 GLN H . . 3.380 3.122 3.103 3.163 . 0 0 "[ . 1 . 2]" 1
306 1 29 GLN H 1 29 GLN HB2 . . 3.040 2.812 2.683 2.929 . 0 0 "[ . 1 . 2]" 1
307 1 29 GLN H 1 29 GLN HB3 . . 2.670 2.359 2.264 2.458 . 0 0 "[ . 1 . 2]" 1
308 1 29 GLN H 1 30 LYS H . . 4.430 4.392 4.383 4.449 0.019 12 0 "[ . 1 . 2]" 1
309 1 29 GLN HA 1 29 GLN HE21 . . 4.810 4.251 2.590 4.747 . 0 0 "[ . 1 . 2]" 1
310 1 29 GLN HA 1 29 GLN HE22 . . 4.810 4.345 3.251 4.564 . 0 0 "[ . 1 . 2]" 1
311 1 29 GLN HA 1 30 LYS H . . 2.640 2.142 2.138 2.143 . 0 0 "[ . 1 . 2]" 1
312 1 29 GLN HB2 1 29 GLN QE . . 4.210 3.767 2.018 4.028 . 0 0 "[ . 1 . 2]" 1
313 1 29 GLN HB2 1 29 GLN HE22 . . 4.890 4.475 3.615 4.651 . 0 0 "[ . 1 . 2]" 1
314 1 29 GLN HB2 1 30 LYS H . . 4.370 4.297 4.171 4.370 0.000 15 0 "[ . 1 . 2]" 1
315 1 29 GLN QE 1 29 GLN QG . . 2.960 2.222 2.068 2.572 . 0 0 "[ . 1 . 2]" 1
316 1 29 GLN QE 1 30 LYS H . . 4.540 3.933 3.244 4.253 . 0 0 "[ . 1 . 2]" 1
317 1 29 GLN QE 1 30 LYS HA . . 5.340 5.364 5.199 5.412 0.072 17 0 "[ . 1 . 2]" 1
318 1 29 GLN QE 1 30 LYS QG . . 4.760 4.149 3.702 4.813 0.053 15 0 "[ . 1 . 2]" 1
319 1 29 GLN QE 1 57 LEU QD . . 4.620 3.897 3.314 4.609 . 0 0 "[ . 1 . 2]" 1
320 1 29 GLN QE 1 59 LEU H . . 5.340 4.838 4.186 5.298 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLN QE 1 59 LEU HA . . 3.810 3.444 2.960 3.809 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLN QE 1 59 LEU QB . . 4.210 2.584 2.065 3.101 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLN QE 1 59 LEU QD . . 4.020 3.284 2.562 3.898 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLN QE 1 60 ASN H . . 4.390 4.396 4.276 4.446 0.056 2 0 "[ . 1 . 2]" 1
325 1 29 GLN HE21 1 30 LYS H . . 5.300 4.427 3.483 4.921 . 0 0 "[ . 1 . 2]" 1
326 1 29 GLN HE21 1 59 LEU HB2 . . 5.500 3.525 3.094 4.266 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLN HE21 1 59 LEU HB3 . . 5.500 3.008 2.285 3.800 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLN HE21 1 59 LEU MD1 . . 5.500 4.872 4.428 5.531 0.031 15 0 "[ . 1 . 2]" 1
329 1 29 GLN HE21 1 59 LEU MD2 . . 5.500 3.604 2.640 4.957 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLN HE22 1 29 GLN QG . . 3.450 3.240 3.216 3.439 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLN HE22 1 30 LYS H . . 5.300 4.525 3.468 5.065 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLN HE22 1 59 LEU HB2 . . 5.500 4.046 3.513 4.627 . 0 0 "[ . 1 . 2]" 1
333 1 29 GLN HE22 1 59 LEU HB3 . . 5.500 3.179 2.402 3.769 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLN HE22 1 59 LEU MD1 . . 5.500 5.453 4.986 5.544 0.044 1 0 "[ . 1 . 2]" 1
335 1 29 GLN HE22 1 59 LEU MD2 . . 5.500 4.256 3.596 4.727 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLN QG 1 30 LYS H . . 3.600 3.393 3.002 3.641 0.041 1 0 "[ . 1 . 2]" 1
337 1 29 GLN QG 1 31 LEU H . . 4.480 3.945 3.770 4.164 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLN QG 1 60 ASN H . . 4.850 4.333 3.829 4.694 . 0 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 30 LYS QB . . 3.040 2.759 2.680 2.881 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS H 1 30 LYS QD . . 4.130 3.540 2.448 4.052 . 0 0 "[ . 1 . 2]" 1
341 1 30 LYS H 1 30 LYS QE . . 5.460 4.167 1.972 4.828 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS H 1 30 LYS HG2 . . 3.740 2.371 1.905 2.878 . 0 0 "[ . 1 . 2]" 1
343 1 30 LYS H 1 30 LYS HG3 . . 3.740 2.668 1.947 3.584 . 0 0 "[ . 1 . 2]" 1
344 1 30 LYS H 1 31 LEU H . . 4.380 4.355 4.293 4.405 0.025 9 0 "[ . 1 . 2]" 1
345 1 30 LYS HA 1 31 LEU H . . 2.870 2.147 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
346 1 30 LYS QG 1 31 LEU H . . 5.070 4.431 4.254 4.896 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU H 1 31 LEU HB2 . . 3.300 3.207 2.963 3.333 0.033 3 0 "[ . 1 . 2]" 1
348 1 31 LEU H 1 31 LEU HB3 . . 3.510 2.664 2.536 2.891 . 0 0 "[ . 1 . 2]" 1
349 1 31 LEU H 1 31 LEU QD . . 4.520 3.920 3.798 3.971 . 0 0 "[ . 1 . 2]" 1
350 1 31 LEU H 1 31 LEU HG . . 5.500 4.452 4.231 4.692 . 0 0 "[ . 1 . 2]" 1
351 1 31 LEU H 1 32 ARG QG . . 4.140 3.597 3.332 4.075 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU HA 1 32 ARG H . . 2.730 2.154 2.139 2.160 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU HA 1 33 ASP H . . 5.500 5.450 5.393 5.531 0.031 20 0 "[ . 1 . 2]" 1
354 1 31 LEU HB3 1 32 ARG H . . 4.480 4.399 4.147 4.482 0.002 16 0 "[ . 1 . 2]" 1
355 1 31 LEU QD 1 32 ARG H . . 3.310 2.976 2.451 3.348 0.038 17 0 "[ . 1 . 2]" 1
356 1 31 LEU QD 1 33 ASP H . . 4.650 3.787 2.819 4.655 0.005 4 0 "[ . 1 . 2]" 1
357 1 31 LEU HG 1 32 ARG H . . 4.030 3.635 3.068 3.972 . 0 0 "[ . 1 . 2]" 1
358 1 31 LEU HG 1 33 ASP H . . 4.750 4.072 3.742 4.765 0.015 12 0 "[ . 1 . 2]" 1
359 1 32 ARG H 1 32 ARG HB2 . . 3.200 2.650 2.453 2.834 . 0 0 "[ . 1 . 2]" 1
360 1 32 ARG H 1 32 ARG HB3 . . 4.010 3.754 3.590 3.851 . 0 0 "[ . 1 . 2]" 1
361 1 32 ARG H 1 32 ARG QD . . 4.870 4.282 3.515 4.760 . 0 0 "[ . 1 . 2]" 1
362 1 32 ARG H 1 32 ARG QG . . 3.730 3.034 2.650 3.586 . 0 0 "[ . 1 . 2]" 1
363 1 32 ARG H 1 33 ASP HB2 . . 5.500 5.080 4.548 5.631 0.131 14 0 "[ . 1 . 2]" 1
364 1 32 ARG H 1 33 ASP HB3 . . 5.500 5.349 4.205 5.680 0.180 14 0 "[ . 1 . 2]" 1
365 1 32 ARG HA 1 33 ASP H . . 2.740 2.160 2.156 2.167 . 0 0 "[ . 1 . 2]" 1
366 1 32 ARG HB3 1 33 ASP H . . 3.940 3.747 3.712 3.806 . 0 0 "[ . 1 . 2]" 1
367 1 32 ARG QG 1 33 ASP H . . 4.470 4.306 3.968 4.470 . 0 0 "[ . 1 . 2]" 1
368 1 33 ASP H 1 33 ASP HB2 . . 3.960 3.325 3.152 3.936 . 0 0 "[ . 1 . 2]" 1
369 1 33 ASP H 1 33 ASP QB . . 3.450 2.697 2.447 3.041 . 0 0 "[ . 1 . 2]" 1
370 1 33 ASP H 1 33 ASP HB3 . . 3.960 3.003 2.523 3.958 . 0 0 "[ . 1 . 2]" 1
371 1 33 ASP H 1 34 ALA H . . 4.530 4.426 4.365 4.471 . 0 0 "[ . 1 . 2]" 1
372 1 33 ASP H 1 34 ALA MB . . 5.290 4.697 4.498 4.917 . 0 0 "[ . 1 . 2]" 1
373 1 33 ASP HA 1 34 ALA H . . 2.670 2.314 2.239 2.379 . 0 0 "[ . 1 . 2]" 1
374 1 33 ASP QB 1 34 ALA H . . 3.620 3.164 2.577 3.545 . 0 0 "[ . 1 . 2]" 1
375 1 33 ASP HB2 1 34 ALA H . . 4.210 3.591 2.842 3.958 . 0 0 "[ . 1 . 2]" 1
376 1 33 ASP HB3 1 34 ALA H . . 4.210 3.648 2.705 4.123 . 0 0 "[ . 1 . 2]" 1
377 1 34 ALA H 1 34 ALA MB . . 3.010 2.620 2.461 2.690 . 0 0 "[ . 1 . 2]" 1
378 1 34 ALA H 1 35 PHE H . . 4.190 3.987 3.858 4.209 0.019 6 0 "[ . 1 . 2]" 1
379 1 34 ALA HA 1 35 PHE H . . 2.730 2.155 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
380 1 34 ALA MB 1 35 PHE H . . 3.470 3.350 3.071 3.448 . 0 0 "[ . 1 . 2]" 1
381 1 35 PHE H 1 35 PHE HB2 . . 3.940 3.010 2.347 3.852 . 0 0 "[ . 1 . 2]" 1
382 1 35 PHE H 1 35 PHE HB3 . . 3.940 2.966 2.614 3.737 . 0 0 "[ . 1 . 2]" 1
383 1 35 PHE H 1 36 THR H . . 4.510 4.448 4.367 4.522 0.012 15 0 "[ . 1 . 2]" 1
384 1 35 PHE HA 1 36 THR H . . 3.020 2.304 2.180 2.350 . 0 0 "[ . 1 . 2]" 1
385 1 35 PHE QB 1 36 THR H . . 3.700 3.199 2.539 3.644 . 0 0 "[ . 1 . 2]" 1
386 1 36 THR H 1 36 THR HB . . 3.870 3.656 3.624 3.696 . 0 0 "[ . 1 . 2]" 1
387 1 36 THR H 1 36 THR MG . . 3.610 2.392 2.167 2.697 . 0 0 "[ . 1 . 2]" 1
388 1 36 THR H 1 37 TRP H . . 4.540 4.469 4.422 4.524 . 0 0 "[ . 1 . 2]" 1
389 1 36 THR HA 1 37 TRP H . . 3.190 2.146 2.141 2.160 . 0 0 "[ . 1 . 2]" 1
390 1 36 THR HB 1 37 TRP H . . 3.680 3.372 3.202 3.508 . 0 0 "[ . 1 . 2]" 1
391 1 36 THR MG 1 37 TRP H . . 4.680 4.092 3.958 4.208 . 0 0 "[ . 1 . 2]" 1
392 1 37 TRP H 1 37 TRP HB2 . . 3.910 3.447 3.228 3.723 . 0 0 "[ . 1 . 2]" 1
393 1 37 TRP H 1 37 TRP QB . . 3.420 2.361 2.262 2.516 . 0 0 "[ . 1 . 2]" 1
394 1 37 TRP H 1 37 TRP HB3 . . 3.910 2.405 2.301 2.558 . 0 0 "[ . 1 . 2]" 1
395 1 37 TRP H 1 38 ASN H . . 4.610 4.432 4.328 4.516 . 0 0 "[ . 1 . 2]" 1
396 1 37 TRP HA 1 38 ASN H . . 3.000 2.181 2.142 2.249 . 0 0 "[ . 1 . 2]" 1
397 1 37 TRP QB 1 37 TRP HE1 . . 4.550 4.440 4.418 4.454 . 0 0 "[ . 1 . 2]" 1
398 1 37 TRP HB2 1 38 ASN H . . 4.610 3.698 3.075 4.106 . 0 0 "[ . 1 . 2]" 1
399 1 37 TRP HB3 1 38 ASN H . . 4.610 4.358 4.240 4.456 . 0 0 "[ . 1 . 2]" 1
400 1 37 TRP HE1 1 39 MET H . . 4.930 4.188 3.612 4.568 . 0 0 "[ . 1 . 2]" 1
401 1 37 TRP HE1 1 39 MET HA . . 3.120 2.199 1.951 2.402 . 0 0 "[ . 1 . 2]" 1
402 1 37 TRP HE1 1 40 ASN H . . 5.500 5.437 5.102 5.543 0.043 7 0 "[ . 1 . 2]" 1
403 1 37 TRP HE1 1 41 GLU H . . 5.500 5.336 4.798 5.540 0.040 4 0 "[ . 1 . 2]" 1
404 1 37 TRP HE1 1 76 ILE HA . . 4.670 4.635 4.352 4.743 0.073 11 0 "[ . 1 . 2]" 1
405 1 37 TRP HE1 1 76 ILE HB . . 3.400 3.260 2.920 3.431 0.031 5 0 "[ . 1 . 2]" 1
406 1 37 TRP HE1 1 76 ILE MD . . 3.910 3.937 3.918 3.975 0.065 10 0 "[ . 1 . 2]" 1
407 1 37 TRP HE1 1 76 ILE HG12 . . 5.410 5.162 4.730 5.431 0.021 11 0 "[ . 1 . 2]" 1
408 1 37 TRP HE1 1 76 ILE MG . . 3.680 2.716 2.061 3.263 . 0 0 "[ . 1 . 2]" 1
409 1 38 ASN H 1 38 ASN HB2 . . 3.410 2.218 2.133 2.356 . 0 0 "[ . 1 . 2]" 1
410 1 38 ASN H 1 38 ASN HB3 . . 3.350 3.080 3.013 3.148 . 0 0 "[ . 1 . 2]" 1
411 1 38 ASN H 1 38 ASN HD21 . . 4.620 4.655 4.530 4.808 0.188 4 0 "[ . 1 . 2]" 1
412 1 38 ASN H 1 39 MET H . . 4.580 4.398 4.315 4.482 . 0 0 "[ . 1 . 2]" 1
413 1 38 ASN H 1 41 GLU HA . . 5.500 5.554 5.503 5.624 0.124 10 0 "[ . 1 . 2]" 1
414 1 38 ASN H 1 41 GLU QB . . 4.130 3.520 3.059 4.145 0.015 20 0 "[ . 1 . 2]" 1
415 1 38 ASN H 1 41 GLU QG . . 4.860 3.883 2.853 4.570 . 0 0 "[ . 1 . 2]" 1
416 1 38 ASN HA 1 38 ASN HD21 . . 4.920 2.391 2.139 2.706 . 0 0 "[ . 1 . 2]" 1
417 1 38 ASN HA 1 38 ASN HD22 . . 4.900 3.402 3.284 3.532 . 0 0 "[ . 1 . 2]" 1
418 1 38 ASN HA 1 39 MET H . . 3.170 2.147 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
419 1 38 ASN HB2 1 39 MET H . . 4.670 4.562 4.433 4.609 . 0 0 "[ . 1 . 2]" 1
420 1 38 ASN HB2 1 40 ASN H . . 4.650 4.562 4.356 4.818 0.168 17 0 "[ . 1 . 2]" 1
421 1 38 ASN HB2 1 41 GLU H . . 4.700 4.284 4.015 4.709 0.009 12 0 "[ . 1 . 2]" 1
422 1 38 ASN HB3 1 39 MET H . . 4.460 3.937 3.758 4.032 . 0 0 "[ . 1 . 2]" 1
423 1 38 ASN HB3 1 40 ASN H . . 4.080 3.129 2.874 3.418 . 0 0 "[ . 1 . 2]" 1
424 1 38 ASN HB3 1 41 GLU H . . 3.480 2.589 2.351 3.058 . 0 0 "[ . 1 . 2]" 1
425 1 38 ASN HD21 1 40 ASN HB2 . . 5.230 3.168 2.771 4.588 . 0 0 "[ . 1 . 2]" 1
426 1 38 ASN HD21 1 41 GLU H . . 4.760 3.555 3.181 4.058 . 0 0 "[ . 1 . 2]" 1
427 1 38 ASN HD21 1 41 GLU HA . . 5.500 4.743 4.012 5.428 . 0 0 "[ . 1 . 2]" 1
428 1 38 ASN HD21 1 41 GLU QG . . 5.500 5.441 4.523 5.728 0.228 11 0 "[ . 1 . 2]" 1
429 1 38 ASN HD22 1 39 MET H . . 4.830 4.031 3.443 4.355 . 0 0 "[ . 1 . 2]" 1
430 1 38 ASN HD22 1 40 ASN H . . 4.560 3.364 3.031 3.614 . 0 0 "[ . 1 . 2]" 1
431 1 38 ASN HD22 1 40 ASN HB3 . . 5.030 5.049 4.879 5.099 0.069 10 0 "[ . 1 . 2]" 1
432 1 39 MET H 1 39 MET HB2 . . 3.810 3.508 2.829 3.592 . 0 0 "[ . 1 . 2]" 1
433 1 39 MET H 1 39 MET QB . . 3.320 2.432 2.337 2.741 . 0 0 "[ . 1 . 2]" 1
434 1 39 MET H 1 39 MET HB3 . . 3.810 2.551 2.369 3.576 . 0 0 "[ . 1 . 2]" 1
435 1 39 MET H 1 39 MET HG2 . . 3.810 2.487 2.095 3.040 . 0 0 "[ . 1 . 2]" 1
436 1 39 MET H 1 39 MET QG . . 3.310 2.274 1.890 2.452 . 0 0 "[ . 1 . 2]" 1
437 1 39 MET H 1 39 MET HG3 . . 3.810 3.179 1.938 3.649 . 0 0 "[ . 1 . 2]" 1
438 1 39 MET H 1 40 ASN H . . 3.550 2.594 2.423 2.676 . 0 0 "[ . 1 . 2]" 1
439 1 39 MET H 1 41 GLU H . . 4.560 4.169 3.942 4.324 . 0 0 "[ . 1 . 2]" 1
440 1 39 MET HA 1 41 GLU H . . 3.930 3.702 3.501 3.791 . 0 0 "[ . 1 . 2]" 1
441 1 39 MET QB 1 40 ASN HD22 . . 4.910 4.268 3.110 4.651 . 0 0 "[ . 1 . 2]" 1
442 1 39 MET HB2 1 40 ASN H . . 4.270 4.070 2.973 4.302 0.032 11 0 "[ . 1 . 2]" 1
443 1 39 MET HB3 1 40 ASN H . . 4.270 4.113 4.011 4.234 . 0 0 "[ . 1 . 2]" 1
444 1 39 MET QG 1 40 ASN H . . 3.440 2.683 2.246 3.636 0.196 17 0 "[ . 1 . 2]" 1
445 1 39 MET QG 1 41 GLU H . . 5.080 4.559 4.415 5.136 0.056 7 0 "[ . 1 . 2]" 1
446 1 40 ASN H 1 40 ASN HB2 . . 3.310 2.680 2.456 3.559 0.249 20 0 "[ . 1 . 2]" 1
447 1 40 ASN H 1 40 ASN HD21 . . 4.130 2.562 2.136 2.994 . 0 0 "[ . 1 . 2]" 1
448 1 40 ASN H 1 40 ASN HD22 . . 4.570 3.682 2.799 4.043 . 0 0 "[ . 1 . 2]" 1
449 1 40 ASN H 1 41 GLU H . . 3.110 2.441 2.258 2.637 . 0 0 "[ . 1 . 2]" 1
450 1 40 ASN H 1 41 GLU HA . . 4.800 4.471 4.376 4.636 . 0 0 "[ . 1 . 2]" 1
451 1 40 ASN H 1 41 GLU QB . . 4.960 4.045 3.765 4.348 . 0 0 "[ . 1 . 2]" 1
452 1 40 ASN HA 1 40 ASN HD21 . . 4.560 4.038 3.508 4.212 . 0 0 "[ . 1 . 2]" 1
453 1 40 ASN HA 1 40 ASN HD22 . . 4.720 4.542 4.369 4.802 0.082 20 0 "[ . 1 . 2]" 1
454 1 40 ASN HA 1 41 GLU H . . 3.400 3.080 3.047 3.156 . 0 0 "[ . 1 . 2]" 1
455 1 40 ASN HB2 1 40 ASN HD22 . . 3.930 3.497 3.441 4.085 0.155 20 0 "[ . 1 . 2]" 1
456 1 40 ASN HB2 1 41 GLU H . . 4.170 3.901 3.756 4.249 0.079 20 0 "[ . 1 . 2]" 1
457 1 40 ASN HB3 1 40 ASN HD21 . . 3.550 3.375 2.390 3.485 . 0 0 "[ . 1 . 2]" 1
458 1 40 ASN HD21 1 41 GLU H . . 5.080 4.821 4.503 5.128 0.048 4 0 "[ . 1 . 2]" 1
459 1 41 GLU H 1 41 GLU QB . . 2.670 2.147 2.059 2.386 . 0 0 "[ . 1 . 2]" 1
460 1 41 GLU H 1 41 GLU QG . . 4.010 3.660 2.321 4.044 0.034 15 0 "[ . 1 . 2]" 1
461 1 41 GLU H 1 42 LYS H . . 4.680 4.299 3.117 4.648 . 0 0 "[ . 1 . 2]" 1
462 1 41 GLU HA 1 43 LEU H . . 4.260 3.868 3.300 4.292 0.032 19 0 "[ . 1 . 2]" 1
463 1 41 GLU HA 1 44 MET H . . 5.400 4.971 4.129 5.415 0.015 2 0 "[ . 1 . 2]" 1
464 1 41 GLU QB 1 42 LYS H . . 4.530 3.263 1.925 3.918 . 0 0 "[ . 1 . 2]" 1
465 1 41 GLU QB 1 43 LEU H . . 3.870 3.568 2.496 3.919 0.049 2 0 "[ . 1 . 2]" 1
466 1 41 GLU QG 1 42 LYS H . . 4.840 3.186 1.934 3.909 . 0 0 "[ . 1 . 2]" 1
467 1 41 GLU QG 1 43 LEU H . . 3.780 2.919 2.043 3.819 0.039 18 0 "[ . 1 . 2]" 1
468 1 41 GLU QG 1 44 MET H . . 3.610 2.988 2.074 3.633 0.023 16 0 "[ . 1 . 2]" 1
469 1 42 LYS H 1 42 LYS QD . . 4.780 3.493 2.058 4.363 . 0 0 "[ . 1 . 2]" 1
470 1 42 LYS H 1 42 LYS QG . . 4.590 3.098 2.036 4.420 . 0 0 "[ . 1 . 2]" 1
471 1 42 LYS H 1 43 LEU H . . 3.930 2.373 1.889 3.223 . 0 0 "[ . 1 . 2]" 1
472 1 42 LYS H 1 44 MET H . . 4.930 4.289 3.287 4.944 0.014 10 0 "[ . 1 . 2]" 1
473 1 42 LYS QD 1 43 LEU H . . 4.250 4.157 3.124 4.463 0.213 14 0 "[ . 1 . 2]" 1
474 1 43 LEU H 1 43 LEU HB2 . . 3.920 2.880 2.426 3.482 . 0 0 "[ . 1 . 2]" 1
475 1 43 LEU H 1 43 LEU QB . . 3.070 2.620 2.388 2.873 . 0 0 "[ . 1 . 2]" 1
476 1 43 LEU H 1 43 LEU HB3 . . 3.920 3.424 2.549 3.929 0.009 12 0 "[ . 1 . 2]" 1
477 1 43 LEU H 1 43 LEU MD1 . . 4.570 4.041 2.560 4.600 0.030 10 0 "[ . 1 . 2]" 1
478 1 43 LEU H 1 43 LEU QD . . 4.010 3.490 2.546 4.026 0.016 8 0 "[ . 1 . 2]" 1
479 1 43 LEU H 1 43 LEU MD2 . . 4.570 4.148 2.663 4.613 0.043 5 0 "[ . 1 . 2]" 1
480 1 43 LEU H 1 43 LEU HG . . 4.500 4.002 2.808 4.532 0.032 17 0 "[ . 1 . 2]" 1
481 1 43 LEU H 1 44 MET H . . 3.090 2.428 1.883 2.670 . 0 0 "[ . 1 . 2]" 1
482 1 43 LEU H 1 44 MET HA . . 4.870 4.700 4.409 4.884 0.014 3 0 "[ . 1 . 2]" 1
483 1 43 LEU QB 1 44 MET H . . 3.230 2.146 1.940 2.749 . 0 0 "[ . 1 . 2]" 1
484 1 43 LEU HB2 1 44 MET H . . 3.990 2.705 1.955 3.640 . 0 0 "[ . 1 . 2]" 1
485 1 43 LEU HB3 1 44 MET H . . 3.990 2.678 1.987 3.863 . 0 0 "[ . 1 . 2]" 1
486 1 43 LEU QD 1 44 MET H . . 4.190 3.436 2.273 3.920 . 0 0 "[ . 1 . 2]" 1
487 1 43 LEU MD1 1 44 MET H . . 4.970 4.020 3.082 4.741 . 0 0 "[ . 1 . 2]" 1
488 1 43 LEU MD2 1 44 MET H . . 4.970 3.951 2.283 4.839 . 0 0 "[ . 1 . 2]" 1
489 1 44 MET H 1 44 MET HB2 . . 3.090 2.398 2.152 2.804 . 0 0 "[ . 1 . 2]" 1
490 1 44 MET H 1 44 MET QB . . 2.680 2.260 2.105 2.605 . 0 0 "[ . 1 . 2]" 1
491 1 44 MET H 1 44 MET HB3 . . 3.090 2.842 2.421 3.092 0.002 9 0 "[ . 1 . 2]" 1
492 1 44 MET H 1 44 MET HG2 . . 4.940 4.633 4.436 4.850 . 0 0 "[ . 1 . 2]" 1
493 1 44 MET H 1 44 MET QG . . 4.310 4.003 3.851 4.149 . 0 0 "[ . 1 . 2]" 1
494 1 44 MET H 1 44 MET HG3 . . 4.940 4.388 4.125 4.634 . 0 0 "[ . 1 . 2]" 1
495 1 44 MET H 1 45 THR H . . 4.630 4.558 4.399 4.643 0.013 12 0 "[ . 1 . 2]" 1
496 1 44 MET H 1 45 THR MG . . 5.470 5.191 4.870 5.361 . 0 0 "[ . 1 . 2]" 1
497 1 44 MET HA 1 45 THR H . . 2.730 2.432 2.159 2.637 . 0 0 "[ . 1 . 2]" 1
498 1 44 MET QB 1 45 THR H . . 3.690 3.035 2.456 3.712 0.022 16 0 "[ . 1 . 2]" 1
499 1 44 MET HB2 1 45 THR H . . 4.380 3.927 3.726 4.279 . 0 0 "[ . 1 . 2]" 1
500 1 44 MET HB3 1 45 THR H . . 4.380 3.197 2.489 4.072 . 0 0 "[ . 1 . 2]" 1
501 1 44 MET QG 1 45 THR H . . 3.310 2.061 1.917 2.472 . 0 0 "[ . 1 . 2]" 1
502 1 44 MET HG2 1 45 THR H . . 3.880 2.623 1.949 3.894 0.014 18 0 "[ . 1 . 2]" 1
503 1 44 MET HG3 1 45 THR H . . 3.880 2.515 1.955 3.691 . 0 0 "[ . 1 . 2]" 1
504 1 45 THR H 1 45 THR MG . . 3.460 3.409 3.327 3.461 0.001 15 0 "[ . 1 . 2]" 1
505 1 45 THR H 1 46 PRO QD . . 4.950 4.360 4.355 4.370 . 0 0 "[ . 1 . 2]" 1
506 1 45 THR H 1 48 MET H . . 4.030 3.904 3.748 4.024 . 0 0 "[ . 1 . 2]" 1
507 1 45 THR H 1 48 MET QB . . 3.040 2.883 2.433 3.053 0.013 10 0 "[ . 1 . 2]" 1
508 1 45 THR HA 1 47 GLU H . . 4.120 4.040 3.957 4.127 0.007 4 0 "[ . 1 . 2]" 1
509 1 45 THR HA 1 48 MET H . . 4.990 4.833 4.602 5.018 0.028 5 0 "[ . 1 . 2]" 1
510 1 45 THR HB 1 47 GLU H . . 3.710 2.224 2.166 2.286 . 0 0 "[ . 1 . 2]" 1
511 1 45 THR HB 1 48 MET H . . 3.740 3.370 2.933 3.548 . 0 0 "[ . 1 . 2]" 1
512 1 45 THR MG 1 48 MET H . . 4.810 4.713 4.323 4.829 0.019 19 0 "[ . 1 . 2]" 1
513 1 46 PRO QB 1 47 GLU H . . 3.600 3.439 3.328 3.553 . 0 0 "[ . 1 . 2]" 1
514 1 46 PRO HB2 1 47 GLU H . . 4.380 3.616 3.482 3.756 . 0 0 "[ . 1 . 2]" 1
515 1 46 PRO HB3 1 47 GLU H . . 4.380 4.305 4.227 4.386 0.006 14 0 "[ . 1 . 2]" 1
516 1 46 PRO QD 1 47 GLU H . . 3.790 2.673 2.620 2.748 . 0 0 "[ . 1 . 2]" 1
517 1 46 PRO QG 1 47 GLU H . . 3.260 2.721 2.535 2.926 . 0 0 "[ . 1 . 2]" 1
518 1 47 GLU H 1 47 GLU QB . . 3.210 2.561 2.451 2.644 . 0 0 "[ . 1 . 2]" 1
519 1 47 GLU H 1 47 GLU HG2 . . 3.670 2.172 1.951 3.095 . 0 0 "[ . 1 . 2]" 1
520 1 47 GLU H 1 47 GLU QG . . 3.020 2.077 1.927 2.218 . 0 0 "[ . 1 . 2]" 1
521 1 47 GLU H 1 47 GLU HG3 . . 3.670 3.198 1.946 3.583 . 0 0 "[ . 1 . 2]" 1
522 1 47 GLU H 1 48 MET H . . 3.450 2.459 2.304 2.610 . 0 0 "[ . 1 . 2]" 1
523 1 47 GLU H 1 48 MET QB . . 4.520 4.189 3.956 4.360 . 0 0 "[ . 1 . 2]" 1
524 1 47 GLU H 1 49 PHE H . . 4.550 4.420 4.133 4.563 0.013 19 0 "[ . 1 . 2]" 1
525 1 47 GLU H 1 50 SER H . . 4.920 4.690 4.554 4.857 . 0 0 "[ . 1 . 2]" 1
526 1 47 GLU QB 1 48 MET H . . 3.700 3.521 3.299 3.660 . 0 0 "[ . 1 . 2]" 1
527 1 47 GLU QG 1 48 MET H . . 2.950 2.240 1.927 2.487 . 0 0 "[ . 1 . 2]" 1
528 1 47 GLU HG2 1 48 MET H . . 3.490 2.695 2.111 3.562 0.072 5 0 "[ . 1 . 2]" 1
529 1 47 GLU HG3 1 48 MET H . . 3.490 2.608 1.935 3.337 . 0 0 "[ . 1 . 2]" 1
530 1 48 MET H 1 48 MET HA . . 2.880 2.809 2.756 2.880 0.000 15 0 "[ . 1 . 2]" 1
531 1 48 MET H 1 48 MET QB . . 2.690 2.148 2.044 2.234 . 0 0 "[ . 1 . 2]" 1
532 1 48 MET H 1 48 MET QG . . 3.850 3.474 2.748 3.960 0.110 18 0 "[ . 1 . 2]" 1
533 1 48 MET H 1 49 PHE H . . 3.270 2.780 2.562 3.003 . 0 0 "[ . 1 . 2]" 1
534 1 48 MET H 1 49 PHE QB . . 5.230 4.525 4.308 4.683 . 0 0 "[ . 1 . 2]" 1
535 1 48 MET H 1 50 SER QB . . 4.910 4.537 4.196 4.919 0.009 8 0 "[ . 1 . 2]" 1
536 1 48 MET QB 1 49 PHE H . . 3.050 2.443 2.222 2.671 . 0 0 "[ . 1 . 2]" 1
537 1 48 MET HB2 1 49 PHE H . . 3.660 3.105 2.523 3.721 0.061 2 0 "[ . 1 . 2]" 1
538 1 48 MET HB3 1 49 PHE H . . 3.660 2.707 2.245 3.268 . 0 0 "[ . 1 . 2]" 1
539 1 48 MET QG 1 49 PHE H . . 4.340 4.014 2.826 4.347 0.007 8 0 "[ . 1 . 2]" 1
540 1 49 PHE H 1 49 PHE HB2 . . 3.260 2.287 2.068 2.582 . 0 0 "[ . 1 . 2]" 1
541 1 49 PHE H 1 49 PHE HB3 . . 3.260 2.895 2.570 3.272 0.012 14 0 "[ . 1 . 2]" 1
542 1 49 PHE H 1 50 SER H . . 3.230 2.506 2.327 2.698 . 0 0 "[ . 1 . 2]" 1
543 1 49 PHE H 1 50 SER QB . . 4.950 4.310 4.022 4.811 . 0 0 "[ . 1 . 2]" 1
544 1 49 PHE H 1 51 GLU H . . 4.410 4.307 4.173 4.434 0.024 18 0 "[ . 1 . 2]" 1
545 1 49 PHE H 1 52 ILE MD . . 4.410 4.414 4.378 4.436 0.026 14 0 "[ . 1 . 2]" 1
546 1 49 PHE H 1 52 ILE HG12 . . 4.830 4.550 4.430 4.662 . 0 0 "[ . 1 . 2]" 1
547 1 49 PHE H 1 52 ILE MG . . 5.070 5.029 4.914 5.080 0.010 7 0 "[ . 1 . 2]" 1
548 1 49 PHE HA 1 50 SER H . . 3.490 3.441 3.425 3.455 . 0 0 "[ . 1 . 2]" 1
549 1 49 PHE HA 1 52 ILE H . . 3.810 3.559 3.291 3.775 . 0 0 "[ . 1 . 2]" 1
550 1 49 PHE HA 1 53 LEU H . . 4.520 4.290 4.035 4.500 . 0 0 "[ . 1 . 2]" 1
551 1 49 PHE QB 1 50 SER H . . 3.260 2.993 2.920 3.083 . 0 0 "[ . 1 . 2]" 1
552 1 49 PHE QB 1 51 GLU H . . 5.340 4.934 4.667 5.180 . 0 0 "[ . 1 . 2]" 1
553 1 49 PHE HB2 1 50 SER H . . 4.080 3.814 3.473 4.068 . 0 0 "[ . 1 . 2]" 1
554 1 49 PHE HB3 1 50 SER H . . 4.080 3.147 3.012 3.448 . 0 0 "[ . 1 . 2]" 1
555 1 50 SER H 1 50 SER QB . . 3.290 2.231 2.093 2.511 . 0 0 "[ . 1 . 2]" 1
556 1 50 SER H 1 51 GLU H . . 3.260 2.565 2.369 2.695 . 0 0 "[ . 1 . 2]" 1
557 1 50 SER H 1 51 GLU HG2 . . 5.180 4.296 3.551 5.174 . 0 0 "[ . 1 . 2]" 1
558 1 50 SER H 1 51 GLU QG . . 4.320 3.918 3.485 4.310 . 0 0 "[ . 1 . 2]" 1
559 1 50 SER H 1 51 GLU HG3 . . 5.180 4.905 4.314 5.172 . 0 0 "[ . 1 . 2]" 1
560 1 50 SER H 1 52 ILE H . . 4.490 4.211 3.924 4.495 0.005 15 0 "[ . 1 . 2]" 1
561 1 50 SER H 1 52 ILE HG12 . . 4.690 4.247 4.054 4.458 . 0 0 "[ . 1 . 2]" 1
562 1 50 SER H 1 52 ILE MG . . 5.330 5.161 5.000 5.335 0.005 15 0 "[ . 1 . 2]" 1
563 1 50 SER H 1 53 LEU H . . 4.960 4.675 4.495 4.905 . 0 0 "[ . 1 . 2]" 1
564 1 50 SER HA 1 53 LEU H . . 4.970 3.446 3.229 3.723 . 0 0 "[ . 1 . 2]" 1
565 1 50 SER HA 1 54 CYS H . . 4.710 3.821 3.465 4.200 . 0 0 "[ . 1 . 2]" 1
566 1 50 SER QB 1 51 GLU H . . 3.660 2.933 2.341 3.591 . 0 0 "[ . 1 . 2]" 1
567 1 51 GLU H 1 51 GLU QB . . 3.070 2.486 2.316 2.567 . 0 0 "[ . 1 . 2]" 1
568 1 51 GLU H 1 51 GLU HG2 . . 3.370 2.393 1.936 3.151 . 0 0 "[ . 1 . 2]" 1
569 1 51 GLU H 1 51 GLU QG . . 2.690 2.210 1.923 2.690 . 0 0 "[ . 1 . 2]" 1
570 1 51 GLU H 1 51 GLU HG3 . . 3.370 3.053 2.437 3.372 0.002 10 0 "[ . 1 . 2]" 1
571 1 51 GLU H 1 52 ILE H . . 3.320 2.692 2.394 2.935 . 0 0 "[ . 1 . 2]" 1
572 1 51 GLU H 1 52 ILE HG12 . . 4.290 3.987 3.716 4.157 . 0 0 "[ . 1 . 2]" 1
573 1 51 GLU H 1 53 LEU H . . 4.080 3.852 3.734 3.982 . 0 0 "[ . 1 . 2]" 1
574 1 51 GLU H 1 54 CYS QB . . 5.340 5.110 4.606 5.362 0.022 17 0 "[ . 1 . 2]" 1
575 1 51 GLU QB 1 52 ILE H . . 3.270 2.750 2.199 3.276 0.006 17 0 "[ . 1 . 2]" 1
576 1 51 GLU QB 1 53 LEU H . . 4.740 4.565 4.242 4.776 0.036 17 0 "[ . 1 . 2]" 1
577 1 51 GLU HB2 1 52 ILE H . . 3.810 2.866 2.229 3.528 . 0 0 "[ . 1 . 2]" 1
578 1 51 GLU HB2 1 53 LEU H . . 5.500 4.918 4.528 5.233 . 0 0 "[ . 1 . 2]" 1
579 1 51 GLU HB3 1 52 ILE H . . 3.810 3.687 3.296 3.892 0.082 11 0 "[ . 1 . 2]" 1
580 1 51 GLU HB3 1 53 LEU H . . 5.500 5.423 5.107 5.515 0.015 8 0 "[ . 1 . 2]" 1
581 1 51 GLU QG 1 52 ILE H . . 4.720 3.271 1.946 4.265 . 0 0 "[ . 1 . 2]" 1
582 1 52 ILE H 1 52 ILE MD . . 3.820 3.663 3.614 3.709 . 0 0 "[ . 1 . 2]" 1
583 1 52 ILE H 1 52 ILE HG12 . . 2.810 2.118 1.992 2.245 . 0 0 "[ . 1 . 2]" 1
584 1 52 ILE H 1 52 ILE HG13 . . 3.580 3.247 2.949 3.442 . 0 0 "[ . 1 . 2]" 1
585 1 52 ILE H 1 52 ILE MG . . 3.440 2.304 2.065 2.472 . 0 0 "[ . 1 . 2]" 1
586 1 52 ILE H 1 53 LEU H . . 3.340 2.536 2.326 2.722 . 0 0 "[ . 1 . 2]" 1
587 1 52 ILE H 1 53 LEU HB2 . . 5.000 4.763 4.359 4.993 . 0 0 "[ . 1 . 2]" 1
588 1 52 ILE H 1 53 LEU HB3 . . 5.130 4.908 4.424 5.134 0.004 5 0 "[ . 1 . 2]" 1
589 1 52 ILE H 1 54 CYS H . . 4.500 4.305 4.073 4.522 0.022 11 0 "[ . 1 . 2]" 1
590 1 52 ILE H 1 55 ASP QB . . 5.390 5.144 4.776 5.386 . 0 0 "[ . 1 . 2]" 1
591 1 52 ILE HA 1 55 ASP H . . 3.920 3.779 3.689 3.870 . 0 0 "[ . 1 . 2]" 1
592 1 52 ILE HG12 1 53 LEU H . . 3.110 2.765 2.545 2.966 . 0 0 "[ . 1 . 2]" 1
593 1 52 ILE HG13 1 53 LEU H . . 3.880 2.550 2.400 2.699 . 0 0 "[ . 1 . 2]" 1
594 1 52 ILE HG13 1 54 CYS H . . 5.130 4.938 4.811 5.084 . 0 0 "[ . 1 . 2]" 1
595 1 52 ILE HG13 1 55 ASP H . . 5.500 5.511 5.484 5.531 0.031 16 0 "[ . 1 . 2]" 1
596 1 52 ILE MG 1 53 LEU H . . 4.090 3.965 3.892 4.022 . 0 0 "[ . 1 . 2]" 1
597 1 53 LEU H 1 53 LEU HB2 . . 3.120 2.532 2.244 2.795 . 0 0 "[ . 1 . 2]" 1
598 1 53 LEU H 1 53 LEU HB3 . . 3.230 2.571 2.336 2.847 . 0 0 "[ . 1 . 2]" 1
599 1 53 LEU H 1 53 LEU QD . . 3.940 3.661 3.413 3.776 . 0 0 "[ . 1 . 2]" 1
600 1 53 LEU H 1 54 CYS H . . 3.270 2.493 2.409 2.613 . 0 0 "[ . 1 . 2]" 1
601 1 53 LEU H 1 54 CYS QB . . 4.810 4.387 4.140 4.588 . 0 0 "[ . 1 . 2]" 1
602 1 53 LEU H 1 55 ASP QB . . 4.890 4.813 4.513 4.903 0.013 14 0 "[ . 1 . 2]" 1
603 1 53 LEU HA 1 55 ASP H . . 4.100 3.871 3.741 4.041 . 0 0 "[ . 1 . 2]" 1
604 1 53 LEU HA 1 56 ASP H . . 3.330 3.131 3.009 3.342 0.012 11 0 "[ . 1 . 2]" 1
605 1 53 LEU HA 1 57 LEU H . . 5.270 4.621 4.175 4.944 . 0 0 "[ . 1 . 2]" 1
606 1 53 LEU HB2 1 54 CYS H . . 4.030 3.717 3.443 3.926 . 0 0 "[ . 1 . 2]" 1
607 1 53 LEU HB2 1 55 ASP H . . 5.500 5.403 5.260 5.462 . 0 0 "[ . 1 . 2]" 1
608 1 53 LEU HB3 1 54 CYS H . . 3.410 2.468 2.263 2.638 . 0 0 "[ . 1 . 2]" 1
609 1 53 LEU HB3 1 55 ASP H . . 4.760 4.709 4.552 4.779 0.019 20 0 "[ . 1 . 2]" 1
610 1 53 LEU QD 1 54 CYS H . . 3.980 3.577 2.822 3.986 0.006 20 0 "[ . 1 . 2]" 1
611 1 53 LEU QD 1 56 ASP H . . 4.220 3.991 3.596 4.227 0.007 14 0 "[ . 1 . 2]" 1
612 1 53 LEU QD 1 57 LEU H . . 4.580 4.007 3.368 4.580 0.000 10 0 "[ . 1 . 2]" 1
613 1 53 LEU HG 1 54 CYS H . . 4.710 4.167 3.349 4.746 0.036 19 0 "[ . 1 . 2]" 1
614 1 54 CYS H 1 54 CYS HB2 . . 3.680 2.964 2.362 3.576 . 0 0 "[ . 1 . 2]" 1
615 1 54 CYS H 1 54 CYS QB . . 3.050 2.324 2.245 2.507 . 0 0 "[ . 1 . 2]" 1
616 1 54 CYS H 1 54 CYS HB3 . . 3.680 2.652 2.348 3.591 . 0 0 "[ . 1 . 2]" 1
617 1 54 CYS H 1 55 ASP H . . 3.300 2.708 2.682 2.755 . 0 0 "[ . 1 . 2]" 1
618 1 54 CYS H 1 55 ASP HA . . 5.340 5.311 5.277 5.361 0.021 7 0 "[ . 1 . 2]" 1
619 1 54 CYS HA 1 55 ASP H . . 3.490 3.462 3.446 3.493 0.003 7 0 "[ . 1 . 2]" 1
620 1 54 CYS HA 1 57 LEU H . . 4.460 3.769 3.356 4.296 . 0 0 "[ . 1 . 2]" 1
621 1 54 CYS HA 1 58 ASP H . . 4.830 4.402 3.856 4.836 0.006 6 0 "[ . 1 . 2]" 1
622 1 54 CYS HA 1 59 LEU H . . 3.800 3.515 3.049 3.803 0.003 11 0 "[ . 1 . 2]" 1
623 1 54 CYS QB 1 55 ASP H . . 3.980 3.179 2.771 3.621 . 0 0 "[ . 1 . 2]" 1
624 1 55 ASP H 1 55 ASP QB . . 2.610 2.243 2.143 2.318 . 0 0 "[ . 1 . 2]" 1
625 1 55 ASP H 1 56 ASP H . . 2.960 2.317 2.279 2.435 . 0 0 "[ . 1 . 2]" 1
626 1 55 ASP H 1 59 LEU HG . . 5.500 5.127 4.797 5.535 0.035 16 0 "[ . 1 . 2]" 1
627 1 55 ASP HA 1 56 ASP H . . 3.510 3.450 3.431 3.479 . 0 0 "[ . 1 . 2]" 1
628 1 55 ASP HA 1 57 LEU H . . 4.490 4.095 3.748 4.494 0.004 6 0 "[ . 1 . 2]" 1
629 1 55 ASP HA 1 58 ASP H . . 3.740 3.121 2.827 3.412 . 0 0 "[ . 1 . 2]" 1
630 1 55 ASP HA 1 59 LEU H . . 4.630 4.487 3.979 4.645 0.015 3 0 "[ . 1 . 2]" 1
631 1 55 ASP QB 1 58 ASP H . . 4.880 4.753 4.511 4.890 0.010 9 0 "[ . 1 . 2]" 1
632 1 56 ASP H 1 56 ASP HB2 . . 2.900 2.421 2.309 2.584 . 0 0 "[ . 1 . 2]" 1
633 1 56 ASP H 1 56 ASP QB . . 2.360 2.250 2.206 2.298 . 0 0 "[ . 1 . 2]" 1
634 1 56 ASP H 1 56 ASP HB3 . . 2.900 2.701 2.483 2.839 . 0 0 "[ . 1 . 2]" 1
635 1 56 ASP H 1 57 LEU H . . 3.000 2.551 2.333 2.899 . 0 0 "[ . 1 . 2]" 1
636 1 56 ASP H 1 57 LEU QD . . 3.950 3.825 3.499 3.970 0.020 16 0 "[ . 1 . 2]" 1
637 1 56 ASP H 1 59 LEU QD . . 5.400 4.832 4.059 5.291 . 0 0 "[ . 1 . 2]" 1
638 1 56 ASP QB 1 57 LEU H . . 3.310 2.760 2.337 3.041 . 0 0 "[ . 1 . 2]" 1
639 1 56 ASP HB2 1 57 LEU H . . 4.030 3.857 3.582 4.024 . 0 0 "[ . 1 . 2]" 1
640 1 56 ASP HB3 1 57 LEU H . . 4.030 2.836 2.366 3.174 . 0 0 "[ . 1 . 2]" 1
641 1 57 LEU H 1 57 LEU QB . . 3.080 2.641 2.404 2.752 . 0 0 "[ . 1 . 2]" 1
642 1 57 LEU H 1 57 LEU QD . . 3.210 2.567 1.922 2.995 . 0 0 "[ . 1 . 2]" 1
643 1 57 LEU H 1 57 LEU HG . . 3.250 2.817 2.188 3.255 0.005 19 0 "[ . 1 . 2]" 1
644 1 57 LEU H 1 58 ASP H . . 3.070 2.124 1.903 2.454 . 0 0 "[ . 1 . 2]" 1
645 1 57 LEU H 1 58 ASP QB . . 5.220 4.778 4.373 5.183 . 0 0 "[ . 1 . 2]" 1
646 1 57 LEU H 1 59 LEU MD1 . . 5.500 5.302 4.809 5.516 0.016 20 0 "[ . 1 . 2]" 1
647 1 57 LEU H 1 59 LEU MD2 . . 5.500 3.755 2.535 4.530 . 0 0 "[ . 1 . 2]" 1
648 1 57 LEU H 1 59 LEU HG . . 4.460 4.084 3.689 4.313 . 0 0 "[ . 1 . 2]" 1
649 1 57 LEU QB 1 58 ASP H . . 4.070 3.306 3.093 3.597 . 0 0 "[ . 1 . 2]" 1
650 1 57 LEU QD 1 58 ASP H . . 4.250 4.013 3.687 4.175 . 0 0 "[ . 1 . 2]" 1
651 1 57 LEU HG 1 58 ASP H . . 5.060 4.514 4.073 4.910 . 0 0 "[ . 1 . 2]" 1
652 1 58 ASP H 1 58 ASP HA . . 2.540 2.276 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
653 1 58 ASP H 1 58 ASP HB2 . . 4.180 3.298 2.972 3.587 . 0 0 "[ . 1 . 2]" 1
654 1 58 ASP H 1 58 ASP QB . . 3.350 3.132 2.856 3.359 0.009 13 0 "[ . 1 . 2]" 1
655 1 58 ASP H 1 58 ASP HB3 . . 4.180 3.916 3.699 4.093 . 0 0 "[ . 1 . 2]" 1
656 1 58 ASP H 1 59 LEU H . . 3.180 2.709 2.605 2.947 . 0 0 "[ . 1 . 2]" 1
657 1 58 ASP H 1 59 LEU QD . . 4.420 4.235 3.482 4.445 0.025 18 0 "[ . 1 . 2]" 1
658 1 58 ASP H 1 59 LEU HG . . 4.530 4.045 3.663 4.436 . 0 0 "[ . 1 . 2]" 1
659 1 58 ASP HA 1 59 LEU H . . 3.100 2.880 2.519 3.001 . 0 0 "[ . 1 . 2]" 1
660 1 58 ASP QB 1 59 LEU H . . 4.110 3.807 3.725 3.990 . 0 0 "[ . 1 . 2]" 1
661 1 58 ASP HB2 1 59 LEU H . . 4.790 4.315 4.011 4.647 . 0 0 "[ . 1 . 2]" 1
662 1 58 ASP HB3 1 59 LEU H . . 4.790 4.282 3.993 4.470 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU H 1 59 LEU QB . . 3.240 2.681 2.571 3.046 . 0 0 "[ . 1 . 2]" 1
664 1 59 LEU H 1 59 LEU QD . . 3.170 2.838 2.251 2.967 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU H 1 59 LEU HG . . 3.030 1.978 1.910 2.208 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU H 1 60 ASN H . . 4.620 4.580 4.501 4.611 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU HA 1 60 ASN H . . 2.820 2.445 2.327 2.468 . 0 0 "[ . 1 . 2]" 1
668 1 59 LEU QB 1 60 ASN H . . 3.220 2.305 2.250 2.564 . 0 0 "[ . 1 . 2]" 1
669 1 59 LEU HB2 1 60 ASN H . . 3.870 2.330 2.271 2.618 . 0 0 "[ . 1 . 2]" 1
670 1 59 LEU HB3 1 60 ASN H . . 3.870 3.669 3.518 3.797 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU QD 1 60 ASN H . . 4.110 3.030 2.863 3.454 . 0 0 "[ . 1 . 2]" 1
672 1 59 LEU QD 1 63 THR H . . 5.440 4.890 4.559 5.168 . 0 0 "[ . 1 . 2]" 1
673 1 59 LEU QD 1 64 PHE H . . 4.880 3.883 3.618 4.186 . 0 0 "[ . 1 . 2]" 1
674 1 59 LEU MD1 1 60 ASN H . . 4.840 3.080 2.895 3.551 . 0 0 "[ . 1 . 2]" 1
675 1 59 LEU MD2 1 60 ASN H . . 4.840 4.532 4.402 4.734 . 0 0 "[ . 1 . 2]" 1
676 1 60 ASN H 1 60 ASN HB2 . . 3.230 2.352 2.170 2.836 . 0 0 "[ . 1 . 2]" 1
677 1 60 ASN H 1 60 ASN QB . . 2.760 2.233 2.136 2.299 . 0 0 "[ . 1 . 2]" 1
678 1 60 ASN H 1 60 ASN HB3 . . 3.230 2.898 2.414 3.182 . 0 0 "[ . 1 . 2]" 1
679 1 60 ASN H 1 60 ASN HD21 . . 4.990 4.762 4.599 4.932 . 0 0 "[ . 1 . 2]" 1
680 1 60 ASN H 1 61 PRO QD . . 4.620 4.092 4.014 4.131 . 0 0 "[ . 1 . 2]" 1
681 1 60 ASN H 1 62 LEU H . . 5.300 5.198 5.132 5.339 0.039 1 0 "[ . 1 . 2]" 1
682 1 60 ASN H 1 63 THR MG . . 5.500 4.468 3.720 5.500 0.000 13 0 "[ . 1 . 2]" 1
683 1 60 ASN H 1 64 PHE QB . . 4.860 4.243 3.988 4.875 0.015 1 0 "[ . 1 . 2]" 1
684 1 60 ASN HA 1 60 ASN HD22 . . 4.700 4.086 3.319 4.587 . 0 0 "[ . 1 . 2]" 1
685 1 60 ASN QB 1 60 ASN HD22 . . 3.600 3.290 3.213 3.439 . 0 0 "[ . 1 . 2]" 1
686 1 60 ASN QB 1 62 LEU H . . 4.550 3.242 2.902 3.824 . 0 0 "[ . 1 . 2]" 1
687 1 60 ASN QB 1 63 THR H . . 4.080 3.118 2.630 3.639 . 0 0 "[ . 1 . 2]" 1
688 1 60 ASN HD21 1 62 LEU HB2 . . 4.820 3.571 1.998 4.427 . 0 0 "[ . 1 . 2]" 1
689 1 60 ASN HD21 1 62 LEU QB . . 4.130 3.017 1.990 3.415 . 0 0 "[ . 1 . 2]" 1
690 1 60 ASN HD21 1 62 LEU HB3 . . 4.820 4.033 2.598 4.999 0.179 4 0 "[ . 1 . 2]" 1
691 1 60 ASN HD21 1 62 LEU QD . . 4.880 3.089 2.308 3.842 . 0 0 "[ . 1 . 2]" 1
692 1 60 ASN HD21 1 63 THR H . . 4.800 4.202 3.591 4.802 0.002 4 0 "[ . 1 . 2]" 1
693 1 60 ASN HD21 1 63 THR MG . . 5.180 3.936 2.176 4.871 . 0 0 "[ . 1 . 2]" 1
694 1 60 ASN HD22 1 62 LEU HB2 . . 4.650 3.344 1.875 4.675 0.025 12 0 "[ . 1 . 2]" 1
695 1 60 ASN HD22 1 62 LEU QB . . 3.920 2.817 1.866 3.161 . 0 0 "[ . 1 . 2]" 1
696 1 60 ASN HD22 1 62 LEU HB3 . . 4.650 3.755 3.011 4.643 . 0 0 "[ . 1 . 2]" 1
697 1 60 ASN HD22 1 62 LEU QD . . 5.340 2.157 1.892 2.390 . 0 0 "[ . 1 . 2]" 1
698 1 61 PRO HA 1 63 THR H . . 4.450 4.228 3.809 4.477 0.027 5 0 "[ . 1 . 2]" 1
699 1 61 PRO HA 1 64 PHE H . . 3.900 3.100 2.694 3.306 . 0 0 "[ . 1 . 2]" 1
700 1 61 PRO HA 1 65 VAL H . . 3.600 2.899 2.412 3.184 . 0 0 "[ . 1 . 2]" 1
701 1 61 PRO QB 1 62 LEU H . . 3.830 3.589 3.500 3.622 . 0 0 "[ . 1 . 2]" 1
702 1 61 PRO QB 1 65 VAL H . . 4.180 3.917 3.246 4.157 . 0 0 "[ . 1 . 2]" 1
703 1 61 PRO HB2 1 65 VAL H . . 4.920 4.217 3.487 4.470 . 0 0 "[ . 1 . 2]" 1
704 1 61 PRO HB3 1 65 VAL H . . 4.920 4.652 3.866 4.946 0.026 13 0 "[ . 1 . 2]" 1
705 1 61 PRO QD 1 62 LEU H . . 3.820 2.784 2.705 2.817 . 0 0 "[ . 1 . 2]" 1
706 1 61 PRO QG 1 62 LEU H . . 3.130 2.996 2.826 3.062 . 0 0 "[ . 1 . 2]" 1
707 1 62 LEU H 1 62 LEU HB2 . . 3.670 2.635 2.127 3.572 . 0 0 "[ . 1 . 2]" 1
708 1 62 LEU H 1 62 LEU QB . . 2.930 2.239 2.108 2.323 . 0 0 "[ . 1 . 2]" 1
709 1 62 LEU H 1 62 LEU HB3 . . 3.670 3.164 2.267 3.570 . 0 0 "[ . 1 . 2]" 1
710 1 62 LEU H 1 62 LEU MD1 . . 4.370 3.765 3.413 4.077 . 0 0 "[ . 1 . 2]" 1
711 1 62 LEU H 1 62 LEU QD . . 3.570 3.269 3.081 3.485 . 0 0 "[ . 1 . 2]" 1
712 1 62 LEU H 1 62 LEU MD2 . . 4.370 3.665 3.202 4.033 . 0 0 "[ . 1 . 2]" 1
713 1 62 LEU H 1 62 LEU HG . . 3.080 2.757 2.615 3.133 0.053 4 0 "[ . 1 . 2]" 1
714 1 62 LEU H 1 63 THR H . . 3.160 2.672 2.443 2.974 . 0 0 "[ . 1 . 2]" 1
715 1 62 LEU H 1 63 THR MG . . 4.730 4.046 3.720 4.361 . 0 0 "[ . 1 . 2]" 1
716 1 62 LEU H 1 64 PHE H . . 3.890 3.575 3.451 3.678 . 0 0 "[ . 1 . 2]" 1
717 1 62 LEU H 1 64 PHE QB . . 5.160 4.219 4.073 4.423 . 0 0 "[ . 1 . 2]" 1
718 1 62 LEU QB 1 63 THR H . . 3.370 2.787 2.366 3.435 0.065 13 0 "[ . 1 . 2]" 1
719 1 62 LEU QB 1 64 PHE H . . 4.820 4.409 3.987 4.917 0.097 13 0 "[ . 1 . 2]" 1
720 1 62 LEU HB2 1 63 THR H . . 3.890 3.024 2.464 4.088 0.198 13 0 "[ . 1 . 2]" 1
721 1 62 LEU HB3 1 63 THR H . . 3.890 3.393 2.903 3.800 . 0 0 "[ . 1 . 2]" 1
722 1 62 LEU HG 1 63 THR H . . 4.830 3.855 1.932 4.919 0.089 4 0 "[ . 1 . 2]" 1
723 1 63 THR H 1 63 THR HB . . 3.860 3.068 2.760 3.742 . 0 0 "[ . 1 . 2]" 1
724 1 63 THR H 1 63 THR MG . . 3.340 2.121 1.971 2.681 . 0 0 "[ . 1 . 2]" 1
725 1 63 THR H 1 64 PHE H . . 3.010 2.087 1.896 2.208 . 0 0 "[ . 1 . 2]" 1
726 1 63 THR H 1 64 PHE HB2 . . 4.790 4.409 3.590 4.786 . 0 0 "[ . 1 . 2]" 1
727 1 63 THR H 1 64 PHE QB . . 4.070 3.798 3.519 3.929 . 0 0 "[ . 1 . 2]" 1
728 1 63 THR H 1 64 PHE HB3 . . 4.790 4.290 3.897 5.108 0.318 9 0 "[ . 1 . 2]" 1
729 1 63 THR H 1 65 VAL H . . 4.210 4.092 3.900 4.221 0.011 17 0 "[ . 1 . 2]" 1
730 1 63 THR H 1 65 VAL HB . . 5.500 5.289 5.123 5.464 . 0 0 "[ . 1 . 2]" 1
731 1 63 THR H 1 66 PRO QD . . 5.270 3.940 3.770 4.099 . 0 0 "[ . 1 . 2]" 1
732 1 63 THR HB 1 64 PHE H . . 5.260 4.231 4.058 4.432 . 0 0 "[ . 1 . 2]" 1
733 1 63 THR MG 1 64 PHE H . . 3.970 2.753 2.131 4.077 0.107 13 0 "[ . 1 . 2]" 1
734 1 64 PHE H 1 64 PHE HB2 . . 3.540 2.731 2.140 3.021 . 0 0 "[ . 1 . 2]" 1
735 1 64 PHE H 1 64 PHE QB . . 2.930 2.213 2.116 2.274 . 0 0 "[ . 1 . 2]" 1
736 1 64 PHE H 1 64 PHE HB3 . . 3.540 2.473 2.245 3.319 . 0 0 "[ . 1 . 2]" 1
737 1 64 PHE H 1 65 VAL H . . 3.340 2.495 2.291 2.711 . 0 0 "[ . 1 . 2]" 1
738 1 64 PHE H 1 66 PRO HG2 . . 4.460 4.462 4.292 4.499 0.039 14 0 "[ . 1 . 2]" 1
739 1 64 PHE H 1 67 ALA MB . . 4.350 4.207 4.096 4.316 . 0 0 "[ . 1 . 2]" 1
740 1 64 PHE HA 1 67 ALA H . . 3.570 3.450 3.356 3.536 . 0 0 "[ . 1 . 2]" 1
741 1 64 PHE HA 1 68 ILE H . . 3.870 3.652 3.419 3.875 0.005 9 0 "[ . 1 . 2]" 1
742 1 64 PHE QB 1 65 VAL H . . 3.590 2.590 2.427 2.810 . 0 0 "[ . 1 . 2]" 1
743 1 64 PHE QB 1 67 ALA H . . 5.340 4.821 4.582 4.972 . 0 0 "[ . 1 . 2]" 1
744 1 64 PHE QB 1 68 ILE H . . 5.340 4.895 4.307 5.061 . 0 0 "[ . 1 . 2]" 1
745 1 64 PHE HB2 1 65 VAL H . . 4.100 3.833 3.016 4.114 0.014 14 0 "[ . 1 . 2]" 1
746 1 64 PHE HB3 1 65 VAL H . . 4.100 2.654 2.473 2.975 . 0 0 "[ . 1 . 2]" 1
747 1 65 VAL H 1 65 VAL HB . . 3.120 2.256 2.223 2.273 . 0 0 "[ . 1 . 2]" 1
748 1 65 VAL H 1 65 VAL MG1 . . 3.720 3.654 3.624 3.668 . 0 0 "[ . 1 . 2]" 1
749 1 65 VAL H 1 65 VAL MG2 . . 3.100 2.685 2.594 2.806 . 0 0 "[ . 1 . 2]" 1
750 1 65 VAL H 1 66 PRO QD . . 3.120 2.095 1.941 2.148 . 0 0 "[ . 1 . 2]" 1
751 1 65 VAL H 1 66 PRO HG2 . . 5.240 4.364 4.207 4.420 . 0 0 "[ . 1 . 2]" 1
752 1 65 VAL H 1 67 ALA H . . 4.280 3.808 3.720 3.841 . 0 0 "[ . 1 . 2]" 1
753 1 65 VAL H 1 67 ALA MB . . 4.840 4.365 4.297 4.439 . 0 0 "[ . 1 . 2]" 1
754 1 65 VAL HA 1 67 ALA H . . 4.490 3.897 3.873 3.973 . 0 0 "[ . 1 . 2]" 1
755 1 65 VAL HA 1 68 ILE H . . 4.160 4.079 3.868 4.138 . 0 0 "[ . 1 . 2]" 1
756 1 65 VAL HA 1 69 ALA H . . 4.060 4.050 3.922 4.115 0.055 14 0 "[ . 1 . 2]" 1
757 1 65 VAL HB 1 67 ALA H . . 4.890 4.612 4.602 4.626 . 0 0 "[ . 1 . 2]" 1
758 1 65 VAL MG1 1 67 ALA H . . 4.550 4.165 4.151 4.198 . 0 0 "[ . 1 . 2]" 1
759 1 66 PRO HA 1 68 ILE H . . 5.210 5.129 4.811 5.220 0.010 17 0 "[ . 1 . 2]" 1
760 1 66 PRO HA 1 69 ALA H . . 4.230 3.964 3.806 4.082 . 0 0 "[ . 1 . 2]" 1
761 1 66 PRO HA 1 70 SER H . . 4.240 4.069 3.775 4.244 0.004 2 0 "[ . 1 . 2]" 1
762 1 66 PRO QB 1 67 ALA H . . 3.750 3.574 3.524 3.592 . 0 0 "[ . 1 . 2]" 1
763 1 66 PRO HB2 1 67 ALA H . . 4.590 3.781 3.720 3.804 . 0 0 "[ . 1 . 2]" 1
764 1 66 PRO HB3 1 67 ALA H . . 4.590 4.400 4.365 4.413 . 0 0 "[ . 1 . 2]" 1
765 1 66 PRO QD 1 67 ALA H . . 3.400 2.768 2.723 2.785 . 0 0 "[ . 1 . 2]" 1
766 1 66 PRO HD2 1 67 ALA H . . 4.010 2.827 2.779 2.847 . 0 0 "[ . 1 . 2]" 1
767 1 66 PRO HD3 1 67 ALA H . . 4.010 3.938 3.913 3.948 . 0 0 "[ . 1 . 2]" 1
768 1 66 PRO HG2 1 67 ALA H . . 3.280 3.018 2.917 3.056 . 0 0 "[ . 1 . 2]" 1
769 1 67 ALA H 1 67 ALA MB . . 2.840 2.201 2.122 2.260 . 0 0 "[ . 1 . 2]" 1
770 1 67 ALA H 1 68 ILE H . . 3.340 2.572 2.423 2.623 . 0 0 "[ . 1 . 2]" 1
771 1 67 ALA H 1 68 ILE MD . . 5.080 4.986 4.867 5.087 0.007 13 0 "[ . 1 . 2]" 1
772 1 67 ALA H 1 68 ILE HG12 . . 4.920 4.739 4.303 4.920 0.000 16 0 "[ . 1 . 2]" 1
773 1 67 ALA H 1 68 ILE MG . . 4.960 4.347 4.166 4.539 . 0 0 "[ . 1 . 2]" 1
774 1 67 ALA H 1 69 ALA H . . 4.030 3.508 3.425 3.627 . 0 0 "[ . 1 . 2]" 1
775 1 67 ALA H 1 70 SER H . . 4.790 4.442 4.235 4.586 . 0 0 "[ . 1 . 2]" 1
776 1 67 ALA HA 1 69 ALA H . . 4.550 4.424 4.312 4.554 0.004 9 0 "[ . 1 . 2]" 1
777 1 67 ALA MB 1 68 ILE H . . 3.160 2.279 2.168 2.482 . 0 0 "[ . 1 . 2]" 1
778 1 68 ILE H 1 68 ILE HB . . 4.110 3.613 3.599 3.621 . 0 0 "[ . 1 . 2]" 1
779 1 68 ILE H 1 68 ILE MD . . 3.770 3.706 3.604 3.765 . 0 0 "[ . 1 . 2]" 1
780 1 68 ILE H 1 68 ILE HG12 . . 3.390 2.956 2.546 3.114 . 0 0 "[ . 1 . 2]" 1
781 1 68 ILE H 1 68 ILE HG13 . . 3.420 2.091 1.969 2.181 . 0 0 "[ . 1 . 2]" 1
782 1 68 ILE H 1 68 ILE MG . . 3.460 2.303 2.077 2.438 . 0 0 "[ . 1 . 2]" 1
783 1 68 ILE H 1 69 ALA H . . 3.270 2.614 2.477 2.708 . 0 0 "[ . 1 . 2]" 1
784 1 68 ILE H 1 70 SER H . . 4.520 4.177 4.058 4.316 . 0 0 "[ . 1 . 2]" 1
785 1 68 ILE H 1 71 ALA H . . 4.960 4.662 4.593 4.763 . 0 0 "[ . 1 . 2]" 1
786 1 68 ILE HA 1 70 SER H . . 4.350 4.210 4.039 4.327 . 0 0 "[ . 1 . 2]" 1
787 1 68 ILE HA 1 71 ALA H . . 3.690 3.209 3.140 3.334 . 0 0 "[ . 1 . 2]" 1
788 1 68 ILE HA 1 72 ILE H . . 4.690 3.430 3.180 3.604 . 0 0 "[ . 1 . 2]" 1
789 1 68 ILE HB 1 69 ALA H . . 3.960 3.781 3.702 3.907 . 0 0 "[ . 1 . 2]" 1
790 1 68 ILE MD 1 69 ALA H . . 3.980 2.730 2.389 3.150 . 0 0 "[ . 1 . 2]" 1
791 1 68 ILE MD 1 70 SER H . . 5.500 4.727 4.476 5.269 . 0 0 "[ . 1 . 2]" 1
792 1 68 ILE HG12 1 69 ALA H . . 3.940 3.682 3.632 3.818 . 0 0 "[ . 1 . 2]" 1
793 1 68 ILE HG13 1 69 ALA H . . 3.880 1.959 1.925 2.076 . 0 0 "[ . 1 . 2]" 1
794 1 68 ILE HG13 1 70 SER H . . 4.960 4.475 4.365 4.607 . 0 0 "[ . 1 . 2]" 1
795 1 68 ILE HG13 1 71 ALA H . . 5.380 5.202 5.122 5.246 . 0 0 "[ . 1 . 2]" 1
796 1 68 ILE MG 1 69 ALA H . . 4.130 3.977 3.921 4.080 . 0 0 "[ . 1 . 2]" 1
797 1 68 ILE MG 1 71 ALA H . . 5.220 4.985 4.920 5.054 . 0 0 "[ . 1 . 2]" 1
798 1 68 ILE MG 1 72 ILE H . . 5.020 4.941 4.571 5.046 0.026 1 0 "[ . 1 . 2]" 1
799 1 69 ALA H 1 69 ALA MB . . 2.790 2.228 2.194 2.250 . 0 0 "[ . 1 . 2]" 1
800 1 69 ALA H 1 70 SER H . . 3.370 2.611 2.493 2.697 . 0 0 "[ . 1 . 2]" 1
801 1 69 ALA H 1 71 ALA H . . 4.230 3.801 3.735 3.890 . 0 0 "[ . 1 . 2]" 1
802 1 69 ALA MB 1 70 SER H . . 3.070 2.661 2.543 2.763 . 0 0 "[ . 1 . 2]" 1
803 1 70 SER H 1 70 SER HB2 . . 2.880 2.463 2.366 2.579 . 0 0 "[ . 1 . 2]" 1
804 1 70 SER H 1 70 SER HB3 . . 2.880 2.759 2.628 2.876 . 0 0 "[ . 1 . 2]" 1
805 1 70 SER H 1 71 ALA H . . 3.070 2.312 2.295 2.317 . 0 0 "[ . 1 . 2]" 1
806 1 70 SER H 1 72 ILE HG13 . . 4.970 4.551 4.410 4.768 . 0 0 "[ . 1 . 2]" 1
807 1 70 SER H 1 72 ILE MG . . 5.500 5.172 4.956 5.249 . 0 0 "[ . 1 . 2]" 1
808 1 70 SER H 1 73 ARG QG . . 5.300 4.576 4.117 5.328 0.028 16 0 "[ . 1 . 2]" 1
809 1 70 SER HA 1 73 ARG H . . 3.980 3.853 3.800 3.896 . 0 0 "[ . 1 . 2]" 1
810 1 70 SER HB2 1 71 ALA H . . 4.070 3.973 3.843 4.076 0.006 13 0 "[ . 1 . 2]" 1
811 1 70 SER HB3 1 71 ALA H . . 3.240 3.189 3.157 3.239 . 0 0 "[ . 1 . 2]" 1
812 1 71 ALA H 1 71 ALA HA . . 2.900 2.900 2.891 2.903 0.003 16 0 "[ . 1 . 2]" 1
813 1 71 ALA H 1 71 ALA MB . . 2.840 2.225 2.092 2.297 . 0 0 "[ . 1 . 2]" 1
814 1 71 ALA H 1 72 ILE H . . 3.220 2.482 2.424 2.575 . 0 0 "[ . 1 . 2]" 1
815 1 71 ALA H 1 72 ILE MD . . 5.360 5.090 4.925 5.236 . 0 0 "[ . 1 . 2]" 1
816 1 71 ALA H 1 72 ILE HG13 . . 4.050 3.716 3.556 3.874 . 0 0 "[ . 1 . 2]" 1
817 1 71 ALA H 1 72 ILE MG . . 4.250 4.037 3.912 4.130 . 0 0 "[ . 1 . 2]" 1
818 1 71 ALA H 1 73 ARG H . . 4.220 3.737 3.639 3.927 . 0 0 "[ . 1 . 2]" 1
819 1 71 ALA H 1 73 ARG QG . . 4.790 4.028 3.711 4.529 . 0 0 "[ . 1 . 2]" 1
820 1 71 ALA HA 1 74 GLN H . . 3.780 3.497 3.413 3.619 . 0 0 "[ . 1 . 2]" 1
821 1 71 ALA HA 1 74 GLN HE21 . . 5.300 4.228 2.852 5.274 . 0 0 "[ . 1 . 2]" 1
822 1 71 ALA HA 1 74 GLN HE22 . . 5.300 5.062 4.382 5.308 0.008 3 0 "[ . 1 . 2]" 1
823 1 71 ALA MB 1 72 ILE H . . 3.280 2.378 2.237 2.566 . 0 0 "[ . 1 . 2]" 1
824 1 71 ALA MB 1 74 GLN QE . . 5.340 4.804 3.785 5.349 0.009 1 0 "[ . 1 . 2]" 1
825 1 71 ALA MB 1 75 GLN HE21 . . 4.330 3.313 2.653 4.036 . 0 0 "[ . 1 . 2]" 1
826 1 71 ALA MB 1 75 GLN HE22 . . 5.410 4.121 3.635 4.624 . 0 0 "[ . 1 . 2]" 1
827 1 72 ILE H 1 72 ILE HB . . 3.710 3.611 3.605 3.615 . 0 0 "[ . 1 . 2]" 1
828 1 72 ILE H 1 72 ILE MD . . 3.980 3.806 3.689 3.903 . 0 0 "[ . 1 . 2]" 1
829 1 72 ILE H 1 72 ILE HG12 . . 3.530 3.230 3.080 3.304 . 0 0 "[ . 1 . 2]" 1
830 1 72 ILE H 1 72 ILE HG13 . . 3.280 2.271 2.071 2.420 . 0 0 "[ . 1 . 2]" 1
831 1 72 ILE H 1 72 ILE MG . . 3.280 2.147 1.920 2.312 . 0 0 "[ . 1 . 2]" 1
832 1 72 ILE H 1 73 ARG H . . 3.330 2.738 2.650 2.790 . 0 0 "[ . 1 . 2]" 1
833 1 72 ILE H 1 73 ARG QG . . 4.890 4.356 4.084 4.879 . 0 0 "[ . 1 . 2]" 1
834 1 72 ILE HA 1 75 GLN H . . 4.170 3.234 3.135 3.351 . 0 0 "[ . 1 . 2]" 1
835 1 72 ILE HA 1 75 GLN HE21 . . 5.190 2.213 1.939 2.442 . 0 0 "[ . 1 . 2]" 1
836 1 72 ILE HA 1 75 GLN HE22 . . 5.440 3.799 3.246 4.070 . 0 0 "[ . 1 . 2]" 1
837 1 72 ILE HA 1 76 ILE H . . 4.800 3.829 3.455 4.083 . 0 0 "[ . 1 . 2]" 1
838 1 72 ILE HB 1 73 ARG H . . 3.940 3.839 3.609 3.949 0.009 18 0 "[ . 1 . 2]" 1
839 1 72 ILE HB 1 74 GLN H . . 5.420 5.241 5.014 5.319 . 0 0 "[ . 1 . 2]" 1
840 1 72 ILE HB 1 75 GLN HE21 . . 5.370 4.236 3.974 4.617 . 0 0 "[ . 1 . 2]" 1
841 1 72 ILE HB 1 75 GLN HE22 . . 5.500 5.507 5.109 5.562 0.062 19 0 "[ . 1 . 2]" 1
842 1 72 ILE HB 1 76 ILE H . . 4.620 4.436 4.143 4.633 0.013 12 0 "[ . 1 . 2]" 1
843 1 72 ILE MD 1 73 ARG H . . 3.740 2.632 2.404 2.792 . 0 0 "[ . 1 . 2]" 1
844 1 72 ILE MD 1 74 GLN H . . 4.970 4.401 4.299 4.482 . 0 0 "[ . 1 . 2]" 1
845 1 72 ILE MD 1 75 GLN H . . 5.180 4.843 4.735 5.075 . 0 0 "[ . 1 . 2]" 1
846 1 72 ILE MD 1 76 ILE H . . 4.320 4.220 4.004 4.386 0.066 10 0 "[ . 1 . 2]" 1
847 1 72 ILE HG12 1 73 ARG H . . 4.390 3.675 3.562 3.741 . 0 0 "[ . 1 . 2]" 1
848 1 72 ILE HG13 1 73 ARG H . . 3.650 1.961 1.901 2.002 . 0 0 "[ . 1 . 2]" 1
849 1 72 ILE HG13 1 74 GLN H . . 4.640 4.381 4.293 4.434 . 0 0 "[ . 1 . 2]" 1
850 1 72 ILE MG 1 73 ARG H . . 3.930 3.898 3.854 3.941 0.011 1 0 "[ . 1 . 2]" 1
851 1 72 ILE MG 1 74 GLN H . . 5.500 5.082 5.042 5.101 . 0 0 "[ . 1 . 2]" 1
852 1 73 ARG H 1 73 ARG QB . . 3.260 2.376 2.170 2.515 . 0 0 "[ . 1 . 2]" 1
853 1 73 ARG H 1 73 ARG HD2 . . 5.080 4.548 3.718 4.959 . 0 0 "[ . 1 . 2]" 1
854 1 73 ARG H 1 73 ARG QD . . 4.430 4.026 3.532 4.289 . 0 0 "[ . 1 . 2]" 1
855 1 73 ARG H 1 73 ARG HD3 . . 5.080 4.563 3.892 4.927 . 0 0 "[ . 1 . 2]" 1
856 1 73 ARG H 1 73 ARG QG . . 2.840 2.448 2.221 2.832 . 0 0 "[ . 1 . 2]" 1
857 1 73 ARG H 1 74 GLN H . . 3.360 2.575 2.531 2.646 . 0 0 "[ . 1 . 2]" 1
858 1 73 ARG H 1 75 GLN H . . 4.470 4.119 4.045 4.331 . 0 0 "[ . 1 . 2]" 1
859 1 73 ARG H 1 76 ILE MD . . 5.450 5.035 4.855 5.325 . 0 0 "[ . 1 . 2]" 1
860 1 73 ARG H 1 76 ILE HG12 . . 4.650 4.325 3.990 4.551 . 0 0 "[ . 1 . 2]" 1
861 1 73 ARG HA 1 75 GLN H . . 4.710 4.190 4.073 4.421 . 0 0 "[ . 1 . 2]" 1
862 1 73 ARG HA 1 76 ILE H . . 4.160 3.831 3.681 4.003 . 0 0 "[ . 1 . 2]" 1
863 1 73 ARG HA 1 77 GLU H . . 4.360 4.186 3.974 4.370 0.010 1 0 "[ . 1 . 2]" 1
864 1 73 ARG QB 1 74 GLN H . . 4.100 3.634 3.571 3.699 . 0 0 "[ . 1 . 2]" 1
865 1 73 ARG QD 1 74 GLN H . . 5.090 4.273 3.479 4.654 . 0 0 "[ . 1 . 2]" 1
866 1 73 ARG QG 1 74 GLN H . . 3.130 2.409 2.211 2.597 . 0 0 "[ . 1 . 2]" 1
867 1 73 ARG QG 1 75 GLN H . . 4.720 4.463 4.377 4.579 . 0 0 "[ . 1 . 2]" 1
868 1 74 GLN H 1 74 GLN QB . . 2.680 2.369 2.083 2.665 . 0 0 "[ . 1 . 2]" 1
869 1 74 GLN H 1 74 GLN QG . . 3.420 2.817 2.137 3.703 0.283 20 0 "[ . 1 . 2]" 1
870 1 74 GLN H 1 75 GLN H . . 3.330 2.324 2.299 2.409 . 0 0 "[ . 1 . 2]" 1
871 1 74 GLN H 1 75 GLN QG . . 4.880 3.406 3.334 3.536 . 0 0 "[ . 1 . 2]" 1
872 1 74 GLN H 1 76 ILE H . . 4.260 4.171 3.940 4.265 0.005 3 0 "[ . 1 . 2]" 1
873 1 74 GLN H 1 76 ILE MD . . 5.500 5.400 5.189 5.526 0.026 11 0 "[ . 1 . 2]" 1
874 1 74 GLN H 1 76 ILE HG12 . . 5.030 4.796 4.563 5.031 0.001 11 0 "[ . 1 . 2]" 1
875 1 74 GLN H 1 76 ILE MG . . 5.500 5.093 4.581 5.412 . 0 0 "[ . 1 . 2]" 1
876 1 74 GLN HA 1 74 GLN HE21 . . 5.500 4.347 3.506 4.947 . 0 0 "[ . 1 . 2]" 1
877 1 74 GLN HA 1 74 GLN QE . . 4.830 4.165 3.450 4.600 . 0 0 "[ . 1 . 2]" 1
878 1 74 GLN HA 1 74 GLN HE22 . . 5.500 5.440 5.139 5.662 0.162 4 0 "[ . 1 . 2]" 1
879 1 74 GLN QB 1 75 GLN H . . 3.180 2.911 2.637 3.210 0.030 12 0 "[ . 1 . 2]" 1
880 1 74 GLN QG 1 75 GLN H . . 4.200 3.782 2.854 4.222 0.022 15 0 "[ . 1 . 2]" 1
881 1 75 GLN H 1 75 GLN QB . . 3.140 2.730 2.685 2.783 . 0 0 "[ . 1 . 2]" 1
882 1 75 GLN H 1 75 GLN HE21 . . 5.090 4.140 3.601 4.244 . 0 0 "[ . 1 . 2]" 1
883 1 75 GLN H 1 75 GLN HE22 . . 5.500 5.513 5.085 5.587 0.087 9 0 "[ . 1 . 2]" 1
884 1 75 GLN H 1 75 GLN HG2 . . 3.510 2.582 1.767 2.695 . 0 0 "[ . 1 . 2]" 1
885 1 75 GLN H 1 75 GLN HG3 . . 3.510 2.138 2.021 2.913 . 0 0 "[ . 1 . 2]" 1
886 1 75 GLN H 1 76 ILE H . . 3.370 2.517 2.431 2.656 . 0 0 "[ . 1 . 2]" 1
887 1 75 GLN H 1 76 ILE HG12 . . 4.970 4.463 4.150 4.781 . 0 0 "[ . 1 . 2]" 1
888 1 75 GLN H 1 76 ILE HG13 . . 4.410 4.038 3.839 4.258 . 0 0 "[ . 1 . 2]" 1
889 1 75 GLN H 1 76 ILE MG . . 4.400 4.046 3.786 4.246 . 0 0 "[ . 1 . 2]" 1
890 1 75 GLN HA 1 75 GLN HE21 . . 5.500 5.459 5.270 5.515 0.015 4 0 "[ . 1 . 2]" 1
891 1 75 GLN QB 1 75 GLN HE21 . . 4.140 3.376 2.833 3.667 . 0 0 "[ . 1 . 2]" 1
892 1 75 GLN QB 1 76 ILE H . . 3.370 2.362 2.210 3.180 . 0 0 "[ . 1 . 2]" 1
893 1 75 GLN HB2 1 75 GLN HE21 . . 4.800 3.622 2.953 4.343 . 0 0 "[ . 1 . 2]" 1
894 1 75 GLN HB2 1 75 GLN HE22 . . 5.000 4.376 4.085 4.674 . 0 0 "[ . 1 . 2]" 1
895 1 75 GLN HB2 1 76 ILE H . . 3.840 2.394 2.230 3.373 . 0 0 "[ . 1 . 2]" 1
896 1 75 GLN HB3 1 75 GLN HE21 . . 4.800 4.103 3.531 4.363 . 0 0 "[ . 1 . 2]" 1
897 1 75 GLN HB3 1 75 GLN HE22 . . 5.000 4.382 4.104 4.558 . 0 0 "[ . 1 . 2]" 1
898 1 75 GLN HB3 1 76 ILE H . . 3.840 3.744 3.627 3.891 0.051 10 0 "[ . 1 . 2]" 1
899 1 75 GLN HE21 1 76 ILE H . . 5.360 5.122 4.521 5.393 0.033 17 0 "[ . 1 . 2]" 1
900 1 75 GLN HE22 1 75 GLN QG . . 3.600 3.237 3.219 3.293 . 0 0 "[ . 1 . 2]" 1
901 1 75 GLN QG 1 76 ILE H . . 3.670 3.308 1.867 3.472 . 0 0 "[ . 1 . 2]" 1
902 1 75 GLN HG2 1 76 ILE H . . 4.310 4.299 2.549 4.416 0.106 17 0 "[ . 1 . 2]" 1
903 1 75 GLN HG3 1 76 ILE H . . 4.310 3.439 1.920 3.633 . 0 0 "[ . 1 . 2]" 1
904 1 76 ILE H 1 76 ILE MD . . 4.030 3.926 3.829 3.983 . 0 0 "[ . 1 . 2]" 1
905 1 76 ILE H 1 76 ILE HG12 . . 3.480 2.830 2.593 3.226 . 0 0 "[ . 1 . 2]" 1
906 1 76 ILE H 1 76 ILE HG13 . . 3.280 2.484 2.309 2.587 . 0 0 "[ . 1 . 2]" 1
907 1 76 ILE H 1 76 ILE MG . . 3.190 2.138 1.895 2.274 . 0 0 "[ . 1 . 2]" 1
908 1 76 ILE H 1 77 GLU H . . 3.370 2.667 2.585 2.774 . 0 0 "[ . 1 . 2]" 1
909 1 76 ILE HB 1 77 GLU H . . 4.220 4.056 3.870 4.154 . 0 0 "[ . 1 . 2]" 1
910 1 76 ILE MD 1 77 GLU H . . 4.390 3.471 2.887 3.832 . 0 0 "[ . 1 . 2]" 1
911 1 76 ILE MD 1 78 SER H . . 5.250 5.048 4.676 5.261 0.011 1 0 "[ . 1 . 2]" 1
912 1 76 ILE HG12 1 77 GLU H . . 4.180 3.804 3.704 3.902 . 0 0 "[ . 1 . 2]" 1
913 1 76 ILE HG13 1 77 GLU H . . 4.100 2.188 1.981 2.327 . 0 0 "[ . 1 . 2]" 1
914 1 76 ILE HG13 1 78 SER H . . 5.130 4.424 4.208 4.650 . 0 0 "[ . 1 . 2]" 1
915 1 76 ILE MG 1 77 GLU H . . 4.190 4.008 3.878 4.080 . 0 0 "[ . 1 . 2]" 1
916 1 76 ILE MG 1 78 SER H . . 5.500 5.120 4.999 5.365 . 0 0 "[ . 1 . 2]" 1
917 1 77 GLU H 1 77 GLU QB . . 2.910 2.269 2.042 2.516 . 0 0 "[ . 1 . 2]" 1
918 1 77 GLU H 1 77 GLU HG2 . . 4.210 3.128 2.312 4.230 0.020 5 0 "[ . 1 . 2]" 1
919 1 77 GLU H 1 77 GLU QG . . 3.510 2.795 2.280 3.600 0.090 2 0 "[ . 1 . 2]" 1
920 1 77 GLU H 1 77 GLU HG3 . . 4.210 3.584 2.603 4.367 0.157 2 0 "[ . 1 . 2]" 1
921 1 77 GLU H 1 78 SER H . . 3.350 2.484 2.257 2.729 . 0 0 "[ . 1 . 2]" 1
922 1 77 GLU H 1 79 TYR H . . 5.350 4.166 3.756 4.495 . 0 0 "[ . 1 . 2]" 1
923 1 77 GLU HA 1 78 SER H . . 3.480 3.389 3.283 3.488 0.008 18 0 "[ . 1 . 2]" 1
924 1 77 GLU HA 1 79 TYR H . . 4.610 3.809 3.253 4.261 . 0 0 "[ . 1 . 2]" 1
925 1 77 GLU QB 1 78 SER H . . 4.570 3.423 2.849 3.827 . 0 0 "[ . 1 . 2]" 1
926 1 77 GLU QB 1 79 TYR H . . 5.130 4.831 4.571 5.207 0.077 4 0 "[ . 1 . 2]" 1
927 1 77 GLU QG 1 78 SER H . . 4.450 3.405 2.120 4.566 0.116 14 0 "[ . 1 . 2]" 1
928 1 77 GLU HG2 1 78 SER H . . 5.290 3.834 2.471 5.240 . 0 0 "[ . 1 . 2]" 1
929 1 77 GLU HG3 1 78 SER H . . 5.290 4.075 2.129 5.335 0.045 11 0 "[ . 1 . 2]" 1
930 1 78 SER H 1 78 SER QB . . 3.110 2.279 2.151 2.453 . 0 0 "[ . 1 . 2]" 1
931 1 78 SER H 1 79 TYR H . . 5.060 2.451 2.139 2.566 . 0 0 "[ . 1 . 2]" 1
932 1 78 SER H 1 79 TYR QB . . 4.920 4.591 4.116 5.047 0.127 4 0 "[ . 1 . 2]" 1
933 1 78 SER H 1 80 PRO QD . . 4.730 3.979 3.218 4.500 . 0 0 "[ . 1 . 2]" 1
934 1 78 SER QB 1 79 TYR H . . 3.870 3.090 2.843 3.892 0.022 6 0 "[ . 1 . 2]" 1
935 1 79 TYR H 1 79 TYR HB2 . . 3.720 3.047 2.085 3.978 0.258 16 0 "[ . 1 . 2]" 1
936 1 79 TYR H 1 79 TYR HB3 . . 3.720 3.311 2.187 3.924 0.204 5 0 "[ . 1 . 2]" 1
937 1 80 PRO QB 1 81 THR H . . 3.770 2.796 1.862 3.751 . 0 0 "[ . 1 . 2]" 1
938 1 80 PRO QD 1 81 THR H . . 4.450 3.407 2.603 4.703 0.253 16 0 "[ . 1 . 2]" 1
939 1 80 PRO HD2 1 81 THR H . . 5.310 3.636 2.648 5.253 . 0 0 "[ . 1 . 2]" 1
940 1 80 PRO HD3 1 81 THR H . . 5.310 4.390 3.839 5.307 . 0 0 "[ . 1 . 2]" 1
941 1 80 PRO QG 1 81 THR H . . 3.460 2.912 1.938 3.577 0.117 16 0 "[ . 1 . 2]" 1
942 1 81 THR H 1 81 THR HB . . 3.560 3.360 2.383 3.932 0.372 18 0 "[ . 1 . 2]" 1
943 1 81 THR H 1 81 THR MG . . 3.380 2.799 2.051 3.737 0.357 12 0 "[ . 1 . 2]" 1
944 1 81 THR HB 1 82 ASP H . . 4.340 3.571 2.044 4.640 0.300 10 0 "[ . 1 . 2]" 1
945 1 82 ASP H 1 84 ILE H . . 5.090 4.786 4.073 5.127 0.037 4 0 "[ . 1 . 2]" 1
946 1 82 ASP HA 1 83 SER H . . 3.480 2.741 2.139 3.516 0.036 8 0 "[ . 1 . 2]" 1
947 1 82 ASP QB 1 83 SER H . . 3.670 2.927 1.937 3.816 0.146 5 0 "[ . 1 . 2]" 1
948 1 82 ASP QB 1 84 ILE H . . 4.410 3.667 2.395 4.513 0.103 9 0 "[ . 1 . 2]" 1
949 1 82 ASP HB2 1 83 SER H . . 4.430 3.259 1.947 4.290 . 0 0 "[ . 1 . 2]" 1
950 1 82 ASP HB3 1 83 SER H . . 4.430 3.723 2.533 4.523 0.093 5 0 "[ . 1 . 2]" 1
951 1 83 SER H 1 83 SER QB . . 3.450 2.511 2.092 2.964 . 0 0 "[ . 1 . 2]" 1
952 1 83 SER H 1 84 ILE H . . 3.390 2.771 1.881 3.404 0.014 2 0 "[ . 1 . 2]" 1
953 1 83 SER HA 1 84 ILE H . . 3.480 2.983 2.422 3.479 . 0 0 "[ . 1 . 2]" 1
954 1 83 SER QB 1 84 ILE H . . 4.030 3.678 2.918 4.030 . 0 0 "[ . 1 . 2]" 1
955 1 84 ILE H 1 84 ILE HB . . 3.840 3.248 2.543 3.956 0.116 13 0 "[ . 1 . 2]" 1
956 1 84 ILE H 1 84 ILE MD . . 4.610 3.508 1.896 4.543 . 0 0 "[ . 1 . 2]" 1
957 1 84 ILE H 1 84 ILE HG12 . . 4.220 2.784 2.016 3.844 . 0 0 "[ . 1 . 2]" 1
958 1 84 ILE H 1 84 ILE QG . . 3.460 2.378 1.984 3.154 . 0 0 "[ . 1 . 2]" 1
959 1 84 ILE H 1 84 ILE HG13 . . 4.220 3.062 2.072 4.219 . 0 0 "[ . 1 . 2]" 1
960 1 84 ILE H 1 84 ILE MG . . 4.200 3.314 2.342 3.984 . 0 0 "[ . 1 . 2]" 1
961 1 84 ILE H 1 85 LEU H . . 3.960 3.495 2.873 3.977 0.017 17 0 "[ . 1 . 2]" 1
962 1 84 ILE H 1 85 LEU QD . . 5.140 3.917 2.581 5.163 0.023 19 0 "[ . 1 . 2]" 1
963 1 84 ILE HA 1 85 LEU H . . 2.680 2.479 2.177 2.732 0.052 13 0 "[ . 1 . 2]" 1
964 1 84 ILE HB 1 85 LEU H . . 5.500 4.376 3.895 4.479 . 0 0 "[ . 1 . 2]" 1
965 1 85 LEU H 1 85 LEU QB . . 2.790 2.312 2.041 2.815 0.025 5 0 "[ . 1 . 2]" 1
966 1 85 LEU H 1 85 LEU QD . . 3.320 2.516 1.875 3.342 0.022 19 0 "[ . 1 . 2]" 1
967 1 85 LEU HA 1 86 GLU H . . 2.600 2.439 2.180 2.671 0.071 18 0 "[ . 1 . 2]" 1
968 1 85 LEU QB 1 86 GLU H . . 3.610 2.646 1.990 3.886 0.276 20 0 "[ . 1 . 2]" 1
969 1 85 LEU HB2 1 86 GLU H . . 4.280 3.509 2.000 4.400 0.120 20 0 "[ . 1 . 2]" 1
970 1 85 LEU HB3 1 86 GLU H . . 4.280 3.036 2.102 4.326 0.046 20 0 "[ . 1 . 2]" 1
971 1 85 LEU QD 1 86 GLU H . . 3.720 3.068 1.879 3.806 0.086 20 0 "[ . 1 . 2]" 1
972 1 85 LEU MD1 1 86 GLU H . . 4.250 3.357 1.890 4.293 0.043 18 0 "[ . 1 . 2]" 1
973 1 85 LEU MD2 1 86 GLU H . . 4.250 3.993 3.290 4.279 0.029 5 0 "[ . 1 . 2]" 1
974 1 86 GLU H 1 86 GLU QG . . 3.990 3.136 2.020 3.992 0.002 3 0 "[ . 1 . 2]" 1
975 1 86 GLU HA 1 87 ASP H . . 3.010 2.449 2.138 2.940 . 0 0 "[ . 1 . 2]" 1
976 1 86 GLU QB 1 87 ASP H . . 4.460 3.376 1.950 4.048 . 0 0 "[ . 1 . 2]" 1
977 1 87 ASP H 1 87 ASP QB . . 3.900 2.677 2.172 3.412 . 0 0 "[ . 1 . 2]" 1
978 1 87 ASP QB 1 88 GLN H . . 4.310 3.066 1.939 3.962 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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