NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597481 |
2n1h   |
25560 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1h
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 1391
_Distance_constraint_stats_list.Viol_count 1858
_Distance_constraint_stats_list.Viol_total 1998.255
_Distance_constraint_stats_list.Viol_max 0.973
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0538
_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 ILE 0.142 0.142 13 0 "[ . 1 . 2]"
1 6 GLY 3.088 0.241 20 0 "[ . 1 . 2]"
1 7 MET 0.276 0.072 18 0 "[ . 1 . 2]"
1 9 THR 2.520 0.151 2 0 "[ . 1 . 2]"
1 10 LYS 3.167 0.172 14 0 "[ . 1 . 2]"
1 11 ARG 4.855 0.172 14 0 "[ . 1 . 2]"
1 12 GLU 1.905 0.121 3 0 "[ . 1 . 2]"
1 13 ILE 4.028 0.193 7 0 "[ . 1 . 2]"
1 14 GLY 3.011 0.822 2 1 "[ + . 1 . 2]"
1 15 GLY 0.986 0.286 5 0 "[ . 1 . 2]"
1 16 TYR 5.677 0.822 2 1 "[ + . 1 . 2]"
1 17 THR 2.188 0.143 9 0 "[ . 1 . 2]"
1 18 TYR 3.633 0.193 7 0 "[ . 1 . 2]"
1 19 LYS 2.554 0.113 3 0 "[ . 1 . 2]"
1 20 VAL 1.198 0.151 2 0 "[ . 1 . 2]"
1 21 VAL 5.328 0.241 20 0 "[ . 1 . 2]"
1 22 PHE 3.005 0.168 2 0 "[ . 1 . 2]"
1 23 TYR 2.783 0.137 3 0 "[ . 1 . 2]"
1 24 GLU 5.953 0.125 5 0 "[ . 1 . 2]"
1 25 ASN 4.284 0.230 9 0 "[ . 1 . 2]"
1 26 VAL 1.640 0.112 14 0 "[ . 1 . 2]"
1 27 PHE 4.580 0.127 4 0 "[ . 1 . 2]"
1 28 GLN 5.148 0.175 14 0 "[ . 1 . 2]"
1 29 ASP 2.238 0.125 18 0 "[ . 1 . 2]"
1 30 SER 0.851 0.066 9 0 "[ . 1 . 2]"
1 31 ILE 1.700 0.097 16 0 "[ . 1 . 2]"
1 32 LEU 2.074 0.123 12 0 "[ . 1 . 2]"
1 33 LEU 3.604 0.163 18 0 "[ . 1 . 2]"
1 34 GLY 0.430 0.174 9 0 "[ . 1 . 2]"
1 35 ASN 7.614 0.248 1 0 "[ . 1 . 2]"
1 36 PHE 6.032 0.248 1 0 "[ . 1 . 2]"
1 37 ALA 0.012 0.012 6 0 "[ . 1 . 2]"
1 38 SER 0.087 0.041 18 0 "[ . 1 . 2]"
1 39 GLN 0.013 0.013 8 0 "[ . 1 . 2]"
1 40 GLU 0.034 0.020 12 0 "[ . 1 . 2]"
1 41 GLY 0.023 0.023 14 0 "[ . 1 . 2]"
1 42 ASN 0.769 0.111 2 0 "[ . 1 . 2]"
1 43 VAL 1.453 0.074 10 0 "[ . 1 . 2]"
1 44 LEU 2.133 0.151 4 0 "[ . 1 . 2]"
1 45 LYS 5.622 0.211 19 0 "[ . 1 . 2]"
1 46 TYR 2.586 0.145 13 0 "[ . 1 . 2]"
1 47 GLU 1.453 0.161 13 0 "[ . 1 . 2]"
1 48 ASN 0.577 0.161 13 0 "[ . 1 . 2]"
1 49 GLY 2.168 0.973 4 1 "[ +. 1 . 2]"
1 50 GLN 2.216 0.139 4 0 "[ . 1 . 2]"
1 51 SER 0.236 0.139 4 0 "[ . 1 . 2]"
1 52 CYS 1.091 0.099 4 0 "[ . 1 . 2]"
1 53 ALA 0.189 0.065 13 0 "[ . 1 . 2]"
1 54 ASN 0.189 0.065 13 0 "[ . 1 . 2]"
1 55 GLY 0.764 0.099 4 0 "[ . 1 . 2]"
1 56 PRO 1.247 0.166 13 0 "[ . 1 . 2]"
1 57 HIS 3.585 0.973 4 1 "[ +. 1 . 2]"
1 58 ARG 1.186 0.101 19 0 "[ . 1 . 2]"
1 59 SER 1.660 0.129 11 0 "[ . 1 . 2]"
1 60 ALA 1.493 0.174 9 0 "[ . 1 . 2]"
1 61 ILE 1.498 0.132 12 0 "[ . 1 . 2]"
1 62 VAL 4.204 0.168 2 0 "[ . 1 . 2]"
1 63 THR 0.762 0.131 2 0 "[ . 1 . 2]"
1 64 VAL 0.319 0.111 2 0 "[ . 1 . 2]"
1 65 GLU 0.248 0.094 19 0 "[ . 1 . 2]"
1 66 CYS 1.971 0.146 18 0 "[ . 1 . 2]"
1 67 GLY 4.180 0.423 16 0 "[ . 1 . 2]"
1 68 VAL 0.159 0.046 5 0 "[ . 1 . 2]"
1 69 GLU 4.051 0.423 16 0 "[ . 1 . 2]"
1 70 ASN 2.579 0.193 2 0 "[ . 1 . 2]"
1 71 GLU 1.027 0.084 18 0 "[ . 1 . 2]"
1 72 ILE 4.863 0.130 8 0 "[ . 1 . 2]"
1 73 VAL 0.129 0.045 13 0 "[ . 1 . 2]"
1 74 SER 0.135 0.039 9 0 "[ . 1 . 2]"
1 75 VAL 0.893 0.126 11 0 "[ . 1 . 2]"
1 76 LEU 0.347 0.046 14 0 "[ . 1 . 2]"
1 77 GLU 0.777 0.138 6 0 "[ . 1 . 2]"
1 78 ALA 0.990 0.123 15 0 "[ . 1 . 2]"
1 79 GLN 2.556 0.128 8 0 "[ . 1 . 2]"
1 80 LYS 2.205 0.126 20 0 "[ . 1 . 2]"
1 81 CYS 0.571 0.080 10 0 "[ . 1 . 2]"
1 82 GLU 2.460 0.138 6 0 "[ . 1 . 2]"
1 83 TYR 2.907 0.108 7 0 "[ . 1 . 2]"
1 84 LEU 2.319 0.163 18 0 "[ . 1 . 2]"
1 85 ILE 2.438 0.130 9 0 "[ . 1 . 2]"
1 86 LYS 1.715 0.131 2 0 "[ . 1 . 2]"
1 87 MET 3.766 0.165 11 0 "[ . 1 . 2]"
1 88 LYS 6.084 0.198 8 0 "[ . 1 . 2]"
1 89 SER 0.306 0.076 12 0 "[ . 1 . 2]"
1 90 PRO 1.747 0.069 14 0 "[ . 1 . 2]"
1 91 ALA 0.596 0.066 2 0 "[ . 1 . 2]"
1 92 ALA 1.203 0.146 18 0 "[ . 1 . 2]"
1 93 CYS 2.382 0.107 16 0 "[ . 1 . 2]"
1 94 SER 0.001 0.001 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE HG12 1 4 ILE MG . . 3.620 2.392 2.212 3.214 . 0 0 "[ . 1 . 2]" 1
2 1 10 LYS QB 1 10 LYS QD . . 2.400 2.193 2.065 2.401 0.001 5 0 "[ . 1 . 2]" 1
3 1 10 LYS QB 1 10 LYS QE . . 3.550 2.986 1.913 3.628 0.078 11 0 "[ . 1 . 2]" 1
4 1 10 LYS HA 1 10 LYS QD . . 4.270 4.111 3.709 4.272 0.002 9 0 "[ . 1 . 2]" 1
5 1 10 LYS HA 1 10 LYS QE . . 5.500 4.959 4.006 5.596 0.096 1 0 "[ . 1 . 2]" 1
6 1 11 ARG HA 1 11 ARG HG3 . . 3.890 2.705 2.344 2.852 . 0 0 "[ . 1 . 2]" 1
7 1 11 ARG HA 1 11 ARG HD2 . . 4.520 2.467 1.916 4.123 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG HA 1 11 ARG HD3 . . 4.840 3.540 3.144 4.624 . 0 0 "[ . 1 . 2]" 1
9 1 11 ARG HB2 1 11 ARG HD3 . . 4.040 2.411 2.236 2.910 . 0 0 "[ . 1 . 2]" 1
10 1 11 ARG HB3 1 11 ARG HD2 . . 4.210 3.579 3.030 3.757 . 0 0 "[ . 1 . 2]" 1
11 1 11 ARG HB2 1 11 ARG HD2 . . 4.190 2.670 2.162 2.904 . 0 0 "[ . 1 . 2]" 1
12 1 11 ARG HB3 1 11 ARG HD3 . . 3.920 3.346 2.516 3.569 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE HG13 1 13 ILE MG . . 3.150 2.635 2.520 3.189 0.039 20 0 "[ . 1 . 2]" 1
14 1 13 ILE HG12 1 13 ILE MG . . 3.150 2.235 2.181 2.305 . 0 0 "[ . 1 . 2]" 1
15 1 11 ARG HA 1 13 ILE MD . . 5.500 4.152 3.931 4.922 . 0 0 "[ . 1 . 2]" 1
16 1 13 ILE MD 1 13 ILE MG . . 3.280 3.070 2.102 3.256 . 0 0 "[ . 1 . 2]" 1
17 1 11 ARG HB3 1 13 ILE MD . . 3.090 2.244 2.059 2.616 . 0 0 "[ . 1 . 2]" 1
18 1 17 THR HA 1 17 THR MG . . 3.740 2.353 2.296 2.409 . 0 0 "[ . 1 . 2]" 1
19 1 19 LYS HA 1 19 LYS QE . . 5.500 4.179 4.018 4.479 . 0 0 "[ . 1 . 2]" 1
20 1 19 LYS HB3 1 19 LYS QE . . 4.280 2.415 1.928 2.596 . 0 0 "[ . 1 . 2]" 1
21 1 19 LYS HB2 1 19 LYS QE . . 4.280 2.272 2.030 2.958 . 0 0 "[ . 1 . 2]" 1
22 1 24 GLU HA 1 24 GLU HG2 . . 4.220 2.549 2.374 2.886 . 0 0 "[ . 1 . 2]" 1
23 1 24 GLU HB3 1 24 GLU HG2 . . 2.890 2.725 2.515 2.981 0.091 2 0 "[ . 1 . 2]" 1
24 1 24 GLU HA 1 24 GLU HG3 . . 4.220 3.327 3.018 3.734 . 0 0 "[ . 1 . 2]" 1
25 1 24 GLU HB3 1 24 GLU HG3 . . 2.890 2.771 2.417 2.976 0.086 17 0 "[ . 1 . 2]" 1
26 1 31 ILE MD 1 31 ILE MG . . 3.370 1.981 1.900 2.058 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE HG13 1 4 ILE MG . . 3.620 2.840 2.349 3.226 . 0 0 "[ . 1 . 2]" 1
28 1 31 ILE HA 1 31 ILE MD . . 4.470 2.926 1.955 3.871 . 0 0 "[ . 1 . 2]" 1
29 1 32 LEU HA 1 32 LEU HG . . 4.270 3.330 3.253 3.487 . 0 0 "[ . 1 . 2]" 1
30 1 32 LEU HA 1 32 LEU QD . . 3.950 2.218 2.128 2.311 . 0 0 "[ . 1 . 2]" 1
31 1 33 LEU HA 1 33 LEU QD . . 3.840 2.047 1.947 2.089 . 0 0 "[ . 1 . 2]" 1
32 1 40 GLU HA 1 40 GLU HG2 . . 4.010 2.814 2.539 3.216 . 0 0 "[ . 1 . 2]" 1
33 1 40 GLU HA 1 40 GLU HG3 . . 4.010 2.893 2.512 3.258 . 0 0 "[ . 1 . 2]" 1
34 1 43 VAL HA 1 43 VAL MG2 . . 3.130 2.377 2.332 2.430 . 0 0 "[ . 1 . 2]" 1
35 1 43 VAL HA 1 43 VAL MG1 . . 3.720 2.410 2.360 2.473 . 0 0 "[ . 1 . 2]" 1
36 1 45 LYS HA 1 45 LYS HE3 . . 5.500 4.509 3.984 5.065 . 0 0 "[ . 1 . 2]" 1
37 1 45 LYS HB2 1 45 LYS HE2 . . 5.500 4.126 3.628 4.519 . 0 0 "[ . 1 . 2]" 1
38 1 45 LYS HB2 1 45 LYS HE3 . . 5.500 5.022 4.957 5.108 . 0 0 "[ . 1 . 2]" 1
39 1 45 LYS HB3 1 45 LYS HE2 . . 5.500 3.218 2.001 4.473 . 0 0 "[ . 1 . 2]" 1
40 1 45 LYS HA 1 45 LYS QD . . 5.040 2.205 1.862 2.789 . 0 0 "[ . 1 . 2]" 1
41 1 45 LYS HA 1 45 LYS HE2 . . 5.500 4.102 3.454 4.597 . 0 0 "[ . 1 . 2]" 1
42 1 45 LYS HB3 1 45 LYS HE3 . . 5.500 4.488 3.559 5.453 . 0 0 "[ . 1 . 2]" 1
43 1 43 VAL MG1 1 61 ILE HA . . 5.390 4.114 3.798 4.537 . 0 0 "[ . 1 . 2]" 1
44 1 43 VAL MG1 1 61 ILE HG12 . . 4.890 3.220 2.351 3.850 . 0 0 "[ . 1 . 2]" 1
45 1 43 VAL MG1 1 61 ILE HG13 . . 4.890 2.789 2.208 3.614 . 0 0 "[ . 1 . 2]" 1
46 1 61 ILE MD 1 61 ILE MG . . 3.300 2.844 1.922 3.238 . 0 0 "[ . 1 . 2]" 1
47 1 43 VAL MG2 1 61 ILE MD . . 5.000 3.903 3.378 4.142 . 0 0 "[ . 1 . 2]" 1
48 1 72 ILE HA 1 72 ILE HG12 . . 3.910 2.634 2.537 2.780 . 0 0 "[ . 1 . 2]" 1
49 1 72 ILE HB 1 72 ILE HG13 . . 2.400 2.411 2.382 2.428 0.028 15 0 "[ . 1 . 2]" 1
50 1 11 ARG HB3 1 72 ILE MG . . 3.520 2.894 2.657 3.438 . 0 0 "[ . 1 . 2]" 1
51 1 13 ILE MD 1 72 ILE MG . . 2.770 2.432 2.033 2.777 0.007 10 0 "[ . 1 . 2]" 1
52 1 72 ILE HG12 1 72 ILE MG . . 3.750 2.465 2.407 2.528 . 0 0 "[ . 1 . 2]" 1
53 1 72 ILE HA 1 72 ILE MD . . 4.790 3.884 3.846 3.926 . 0 0 "[ . 1 . 2]" 1
54 1 72 ILE HB 1 72 ILE MD . . 3.420 2.436 2.387 2.499 . 0 0 "[ . 1 . 2]" 1
55 1 72 ILE MD 1 72 ILE MG . . 2.670 1.973 1.922 2.028 . 0 0 "[ . 1 . 2]" 1
56 1 73 VAL HA 1 73 VAL MG1 . . 3.590 2.394 2.374 2.425 . 0 0 "[ . 1 . 2]" 1
57 1 73 VAL HA 1 73 VAL MG2 . . 3.430 2.434 2.396 2.468 . 0 0 "[ . 1 . 2]" 1
58 1 76 LEU HB3 1 76 LEU HG . . 2.930 2.482 2.470 2.494 . 0 0 "[ . 1 . 2]" 1
59 1 76 LEU HA 1 76 LEU QD . . 4.270 2.123 2.080 2.174 . 0 0 "[ . 1 . 2]" 1
60 1 77 GLU HB3 1 77 GLU HG2 . . 2.770 2.465 2.429 2.499 . 0 0 "[ . 1 . 2]" 1
61 1 77 GLU HA 1 77 GLU HG2 . . 3.800 3.134 2.946 3.835 0.035 6 0 "[ . 1 . 2]" 1
62 1 80 LYS HA 1 80 LYS QD . . 4.170 3.733 3.611 3.950 . 0 0 "[ . 1 . 2]" 1
63 1 80 LYS QB 1 80 LYS QD . . 3.230 2.541 2.363 2.884 . 0 0 "[ . 1 . 2]" 1
64 1 80 LYS HA 1 80 LYS QG . . 3.890 3.498 3.406 3.602 . 0 0 "[ . 1 . 2]" 1
65 1 80 LYS QD 1 82 GLU HB2 . . 2.400 2.419 2.294 2.526 0.126 20 0 "[ . 1 . 2]" 1
66 1 80 LYS HA 1 80 LYS QE . . 5.500 5.096 4.091 5.541 0.041 13 0 "[ . 1 . 2]" 1
67 1 80 LYS QE 1 82 GLU HB2 . . 3.860 3.468 2.507 3.922 0.062 12 0 "[ . 1 . 2]" 1
68 1 80 LYS QD 1 82 GLU HA . . 5.500 4.561 4.321 4.871 . 0 0 "[ . 1 . 2]" 1
69 1 80 LYS QD 1 82 GLU HG2 . . 5.010 4.797 4.488 5.063 0.053 15 0 "[ . 1 . 2]" 1
70 1 84 LEU HA 1 84 LEU QD . . 3.760 2.214 2.145 2.256 . 0 0 "[ . 1 . 2]" 1
71 1 85 ILE MD 1 85 ILE MG . . 3.080 1.977 1.849 3.171 0.091 3 0 "[ . 1 . 2]" 1
72 1 86 LYS HB2 1 86 LYS QE . . 4.580 4.243 3.586 4.548 . 0 0 "[ . 1 . 2]" 1
73 1 86 LYS HA 1 86 LYS QD . . 4.780 2.763 1.953 3.907 . 0 0 "[ . 1 . 2]" 1
74 1 86 LYS HB3 1 86 LYS QD . . 2.900 2.406 2.234 2.899 . 0 0 "[ . 1 . 2]" 1
75 1 86 LYS HB2 1 86 LYS QD . . 3.920 3.191 2.297 3.518 . 0 0 "[ . 1 . 2]" 1
76 1 86 LYS HA 1 86 LYS QE . . 5.500 4.193 3.712 4.807 . 0 0 "[ . 1 . 2]" 1
77 1 86 LYS HB3 1 86 LYS QE . . 4.450 3.907 2.083 4.233 . 0 0 "[ . 1 . 2]" 1
78 1 88 LYS HA 1 88 LYS HG3 . . 4.230 3.845 3.787 3.882 . 0 0 "[ . 1 . 2]" 1
79 1 88 LYS HA 1 88 LYS QE . . 5.500 5.452 5.386 5.598 0.098 6 0 "[ . 1 . 2]" 1
80 1 88 LYS HB2 1 88 LYS HD2 . . 3.480 2.304 2.176 2.399 . 0 0 "[ . 1 . 2]" 1
81 1 88 LYS HB3 1 88 LYS HD2 . . 2.400 2.560 2.524 2.598 0.198 8 0 "[ . 1 . 2]" 1
82 1 88 LYS HB3 1 88 LYS QE . . 4.790 3.907 3.863 4.002 . 0 0 "[ . 1 . 2]" 1
83 1 88 LYS HA 1 88 LYS HD3 . . 4.850 4.649 4.554 4.757 . 0 0 "[ . 1 . 2]" 1
84 1 88 LYS HB2 1 88 LYS HD3 . . 3.520 3.127 3.029 3.176 . 0 0 "[ . 1 . 2]" 1
85 1 88 LYS HB3 1 88 LYS HD3 . . 2.810 2.313 2.221 2.385 . 0 0 "[ . 1 . 2]" 1
86 1 88 LYS HA 1 88 LYS HD2 . . 5.500 4.546 4.435 4.634 . 0 0 "[ . 1 . 2]" 1
87 1 47 GLU HA 1 59 SER QB . . 3.930 2.722 1.976 3.400 . 0 0 "[ . 1 . 2]" 1
88 1 11 ARG HD3 1 71 GLU HA . . 5.500 4.550 3.693 5.267 . 0 0 "[ . 1 . 2]" 1
89 1 92 ALA MB 1 93 CYS HB2 . . 4.900 4.577 4.249 4.900 0.000 9 0 "[ . 1 . 2]" 1
90 1 64 VAL HB 1 92 ALA MB . . 4.740 2.849 1.890 3.344 . 0 0 "[ . 1 . 2]" 1
91 1 61 ILE HB 1 84 LEU HA . . 4.490 4.555 4.464 4.622 0.132 12 0 "[ . 1 . 2]" 1
92 1 60 ALA HA 1 61 ILE HB . . 5.500 4.480 4.360 4.662 . 0 0 "[ . 1 . 2]" 1
93 1 72 ILE HA 1 87 MET HB2 . . 5.500 4.591 4.452 4.811 . 0 0 "[ . 1 . 2]" 1
94 1 9 THR HB 1 87 MET ME . . 4.390 2.527 2.256 2.765 . 0 0 "[ . 1 . 2]" 1
95 1 9 THR HB 1 72 ILE HG13 . . 4.140 3.069 2.707 3.296 . 0 0 "[ . 1 . 2]" 1
96 1 9 THR HB 1 72 ILE HG12 . . 4.660 3.295 2.991 3.568 . 0 0 "[ . 1 . 2]" 1
97 1 9 THR MG 1 71 GLU QB . . 4.520 3.772 3.317 4.131 . 0 0 "[ . 1 . 2]" 1
98 1 9 THR MG 1 10 LYS HA . . 5.060 3.776 3.594 4.113 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS HA 1 17 THR MG . . 5.100 3.769 3.453 4.096 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS HA 1 72 ILE MD . . 4.050 2.602 2.341 2.865 . 0 0 "[ . 1 . 2]" 1
101 1 9 THR HA 1 10 LYS HA . . 4.920 4.381 4.325 4.437 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS QB 1 17 THR MG . . 4.040 2.529 2.066 3.939 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS QB 1 19 LYS HA . . 4.820 3.219 2.375 4.135 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS QG 1 11 ARG HA . . 5.500 4.784 3.508 5.616 0.116 17 0 "[ . 1 . 2]" 1
105 1 9 THR HA 1 10 LYS QG . . 5.500 3.825 3.377 5.592 0.092 8 0 "[ . 1 . 2]" 1
106 1 10 LYS QG 1 19 LYS HA . . 4.840 3.546 2.096 4.775 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS QD 1 19 LYS HA . . 5.500 4.499 3.899 5.239 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS QD 1 17 THR MG . . 3.790 2.923 2.216 3.853 0.063 2 0 "[ . 1 . 2]" 1
109 1 11 ARG HB2 1 13 ILE MD . . 4.430 3.590 3.352 4.090 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG HB2 1 72 ILE MG . . 5.210 3.564 3.237 4.332 . 0 0 "[ . 1 . 2]" 1
111 1 9 THR MG 1 11 ARG HD2 . . 5.500 4.816 3.991 5.130 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG HD2 1 72 ILE MD . . 4.680 4.541 4.153 4.691 0.011 13 0 "[ . 1 . 2]" 1
113 1 11 ARG HD2 1 72 ILE MG . . 5.300 5.186 4.621 5.336 0.036 18 0 "[ . 1 . 2]" 1
114 1 9 THR MG 1 11 ARG HD3 . . 4.650 4.313 3.741 4.787 0.137 7 0 "[ . 1 . 2]" 1
115 1 11 ARG HD3 1 72 ILE MD . . 4.080 4.088 3.761 4.169 0.089 5 0 "[ . 1 . 2]" 1
116 1 11 ARG HD3 1 72 ILE MG . . 4.410 4.228 3.499 4.463 0.053 20 0 "[ . 1 . 2]" 1
117 1 50 GLN HB3 1 58 ARG QD . . 5.300 3.597 2.632 4.985 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLU HB2 1 17 THR MG . . 5.500 4.142 2.538 4.778 . 0 0 "[ . 1 . 2]" 1
119 1 31 ILE MD 1 50 GLN HB3 . . 5.500 4.435 2.801 5.512 0.012 20 0 "[ . 1 . 2]" 1
120 1 21 VAL MG1 1 24 GLU HG3 . . 4.590 2.244 2.035 2.549 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLU HA 1 13 ILE HB . . 5.500 4.570 4.306 4.793 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE MG 1 74 SER HA . . 5.180 4.176 3.665 5.069 . 0 0 "[ . 1 . 2]" 1
123 1 13 ILE MG 1 14 GLY HA3 . . 5.110 3.165 3.012 3.415 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE MG 1 14 GLY HA2 . . 4.970 3.863 3.676 4.107 . 0 0 "[ . 1 . 2]" 1
125 1 16 TYR HB3 1 28 GLN HB3 . . 5.130 5.091 3.672 5.215 0.085 13 0 "[ . 1 . 2]" 1
126 1 16 TYR HA 1 17 THR HB . . 5.500 4.558 4.463 4.676 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLU HA 1 17 THR HB . . 5.500 4.936 4.595 5.165 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLU HA 1 17 THR MG . . 4.650 3.410 3.056 3.660 . 0 0 "[ . 1 . 2]" 1
129 1 18 TYR HA 1 28 GLN HA . . 4.100 2.471 2.202 2.600 . 0 0 "[ . 1 . 2]" 1
130 1 13 ILE MD 1 18 TYR HB3 . . 4.260 3.554 3.264 3.688 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HB2 1 18 TYR HB2 . . 5.500 4.572 4.335 5.144 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG HB3 1 18 TYR HB2 . . 5.500 3.191 2.871 3.797 . 0 0 "[ . 1 . 2]" 1
133 1 13 ILE MD 1 18 TYR HB2 . . 4.310 2.432 2.099 2.552 . 0 0 "[ . 1 . 2]" 1
134 1 18 TYR HB2 1 72 ILE MG . . 5.500 3.403 2.907 3.715 . 0 0 "[ . 1 . 2]" 1
135 1 18 TYR HB2 1 26 VAL MG1 . . 5.500 4.613 4.298 4.820 . 0 0 "[ . 1 . 2]" 1
136 1 88 LYS HB2 1 88 LYS QE . . 5.120 3.818 3.737 3.888 . 0 0 "[ . 1 . 2]" 1
137 1 19 LYS HB2 1 27 PHE HB3 . . 5.450 5.179 4.847 5.461 0.011 19 0 "[ . 1 . 2]" 1
138 1 67 GLY HA2 1 88 LYS HB2 . . 5.130 3.430 3.162 3.937 . 0 0 "[ . 1 . 2]" 1
139 1 63 THR HB 1 86 LYS HG3 . . 5.500 4.839 3.189 5.465 . 0 0 "[ . 1 . 2]" 1
140 1 19 LYS HA 1 20 VAL HA . . 5.500 4.357 4.307 4.387 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL HA 1 21 VAL HB . . 5.250 4.691 4.567 4.824 . 0 0 "[ . 1 . 2]" 1
142 1 19 LYS HA 1 20 VAL HB . . 5.500 4.682 4.558 4.805 . 0 0 "[ . 1 . 2]" 1
143 1 9 THR HB 1 20 VAL HB . . 4.090 2.547 2.212 2.980 . 0 0 "[ . 1 . 2]" 1
144 1 9 THR MG 1 20 VAL HB . . 4.980 4.091 3.895 4.527 . 0 0 "[ . 1 . 2]" 1
145 1 19 LYS HA 1 20 VAL MG2 . . 5.090 3.695 3.519 3.789 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL MG1 1 21 VAL HB . . 5.500 4.795 4.609 5.032 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL MG1 1 87 MET ME . . 5.360 3.027 2.245 3.529 . 0 0 "[ . 1 . 2]" 1
148 1 72 ILE MG 1 87 MET HG2 . . 5.480 2.909 2.491 3.375 . 0 0 "[ . 1 . 2]" 1
149 1 6 GLY HA2 1 21 VAL MG1 . . 4.660 4.571 3.816 4.901 0.241 20 0 "[ . 1 . 2]" 1
150 1 6 GLY HA3 1 21 VAL MG1 . . 4.660 4.061 3.497 4.285 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL MG1 1 24 GLU HG2 . . 4.590 3.308 2.660 3.773 . 0 0 "[ . 1 . 2]" 1
152 1 21 VAL MG1 1 24 GLU HB3 . . 4.420 3.265 2.937 3.531 . 0 0 "[ . 1 . 2]" 1
153 1 19 LYS QE 1 21 VAL MG2 . . 4.200 3.829 2.460 4.260 0.060 12 0 "[ . 1 . 2]" 1
154 1 21 VAL MG2 1 24 GLU HB2 . . 4.780 2.974 2.171 3.663 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL MG1 1 22 PHE HA . . 5.150 2.769 2.319 3.555 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL HA 1 22 PHE HB2 . . 4.970 4.253 4.078 4.582 . 0 0 "[ . 1 . 2]" 1
157 1 21 VAL MG1 1 22 PHE HB2 . . 5.500 4.626 4.007 5.067 . 0 0 "[ . 1 . 2]" 1
158 1 23 TYR HA 1 36 PHE HB2 . . 4.430 3.640 2.996 4.208 . 0 0 "[ . 1 . 2]" 1
159 1 23 TYR QB 1 24 GLU HB2 . . 4.700 4.735 4.592 4.825 0.125 15 0 "[ . 1 . 2]" 1
160 1 22 PHE HB3 1 23 TYR QD . . 5.500 2.425 1.826 2.936 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL MG1 1 24 GLU HB2 . . 3.950 2.107 1.925 2.275 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL HA 1 24 GLU HB2 . . 4.530 4.574 4.254 4.655 0.125 5 0 "[ . 1 . 2]" 1
163 1 21 VAL HB 1 24 GLU HB2 . . 4.240 1.952 1.811 2.162 . 0 0 "[ . 1 . 2]" 1
164 1 21 VAL MG2 1 25 ASN HA . . 5.500 5.094 4.702 5.537 0.037 6 0 "[ . 1 . 2]" 1
165 1 25 ASN HB2 1 60 ALA MB . . 5.500 5.463 5.256 5.539 0.039 14 0 "[ . 1 . 2]" 1
166 1 25 ASN HB2 1 34 GLY HA3 . . 5.500 5.256 4.973 5.452 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL HA 1 26 VAL MG1 . . 4.700 2.788 2.507 3.138 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL HA 1 26 VAL MG2 . . 4.110 2.053 1.916 2.177 . 0 0 "[ . 1 . 2]" 1
169 1 26 VAL MG2 1 46 TYR HB2 . . 5.500 3.981 3.409 4.464 . 0 0 "[ . 1 . 2]" 1
170 1 26 VAL MG2 1 46 TYR HB3 . . 5.500 4.200 3.814 4.615 . 0 0 "[ . 1 . 2]" 1
171 1 25 ASN HA 1 26 VAL MG2 . . 5.500 3.224 3.072 3.342 . 0 0 "[ . 1 . 2]" 1
172 1 27 PHE HA 1 33 LEU QB . . 5.080 4.100 3.888 4.302 . 0 0 "[ . 1 . 2]" 1
173 1 27 PHE HA 1 33 LEU QD . . 5.270 3.701 2.175 4.070 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS HB2 1 27 PHE HB2 . . 4.670 3.555 3.249 3.929 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HB3 1 27 PHE HB2 . . 4.670 2.561 2.340 2.749 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS HB3 1 27 PHE HB3 . . 5.450 4.299 4.087 4.496 . 0 0 "[ . 1 . 2]" 1
177 1 28 GLN HA 1 33 LEU QD . . 4.900 4.279 3.564 4.582 . 0 0 "[ . 1 . 2]" 1
178 1 16 TYR HB2 1 28 GLN HB3 . . 4.500 3.517 2.191 3.711 . 0 0 "[ . 1 . 2]" 1
179 1 28 GLN HB3 1 33 LEU QD . . 4.150 2.966 2.487 4.166 0.016 14 0 "[ . 1 . 2]" 1
180 1 26 VAL HB 1 33 LEU QD . . 3.710 2.439 2.105 3.337 . 0 0 "[ . 1 . 2]" 1
181 1 29 ASP HB3 1 30 SER QB . . 5.500 3.711 3.563 4.063 . 0 0 "[ . 1 . 2]" 1
182 1 28 GLN HA 1 29 ASP HB2 . . 5.500 4.505 4.380 4.594 . 0 0 "[ . 1 . 2]" 1
183 1 68 VAL HA 1 90 PRO HA . . 4.960 4.198 3.702 4.810 . 0 0 "[ . 1 . 2]" 1
184 1 29 ASP HB2 1 30 SER QB . . 5.080 4.982 4.429 5.146 0.066 9 0 "[ . 1 . 2]" 1
185 1 68 VAL HA 1 90 PRO QG . . 4.890 3.902 3.656 4.173 . 0 0 "[ . 1 . 2]" 1
186 1 28 GLN HB2 1 31 ILE HB . . 4.230 4.053 2.323 4.246 0.016 15 0 "[ . 1 . 2]" 1
187 1 31 ILE MG 1 50 GLN HB3 . . 4.470 2.819 2.485 3.538 . 0 0 "[ . 1 . 2]" 1
188 1 31 ILE MG 1 33 LEU QD . . 3.900 3.193 2.826 3.642 . 0 0 "[ . 1 . 2]" 1
189 1 31 ILE MG 1 50 GLN HG2 . . 5.140 3.905 3.106 4.627 . 0 0 "[ . 1 . 2]" 1
190 1 31 ILE MG 1 58 ARG QD . . 4.440 2.793 2.521 3.430 . 0 0 "[ . 1 . 2]" 1
191 1 32 LEU HA 1 33 LEU QB . . 4.900 4.439 4.084 4.512 . 0 0 "[ . 1 . 2]" 1
192 1 32 LEU HA 1 33 LEU HG . . 5.500 4.186 3.973 5.590 0.090 18 0 "[ . 1 . 2]" 1
193 1 27 PHE HA 1 32 LEU HA . . 4.560 2.346 2.224 2.544 . 0 0 "[ . 1 . 2]" 1
194 1 31 ILE HA 1 32 LEU HB2 . . 5.500 4.485 4.290 4.599 . 0 0 "[ . 1 . 2]" 1
195 1 32 LEU HB2 1 50 GLN HG2 . . 5.500 4.745 3.489 5.547 0.047 6 0 "[ . 1 . 2]" 1
196 1 32 LEU HB2 1 50 GLN HB2 . . 5.500 4.408 3.540 5.549 0.049 4 0 "[ . 1 . 2]" 1
197 1 31 ILE HA 1 32 LEU HB3 . . 5.100 4.291 4.148 4.433 . 0 0 "[ . 1 . 2]" 1
198 1 32 LEU HB3 1 50 GLN HG2 . . 5.240 3.261 1.967 4.081 . 0 0 "[ . 1 . 2]" 1
199 1 32 LEU HB3 1 50 GLN HB2 . . 5.230 2.801 1.871 4.101 . 0 0 "[ . 1 . 2]" 1
200 1 32 LEU HG 1 34 GLY HA3 . . 5.040 4.854 4.513 5.085 0.045 6 0 "[ . 1 . 2]" 1
201 1 32 LEU HG 1 34 GLY HA2 . . 5.500 3.519 3.127 3.773 . 0 0 "[ . 1 . 2]" 1
202 1 27 PHE HA 1 32 LEU QD . . 5.500 3.189 2.901 3.570 . 0 0 "[ . 1 . 2]" 1
203 1 25 ASN HA 1 32 LEU QD . . 5.500 4.241 3.891 4.563 . 0 0 "[ . 1 . 2]" 1
204 1 32 LEU QD 1 35 ASN HA . . 5.500 3.353 3.161 3.522 . 0 0 "[ . 1 . 2]" 1
205 1 25 ASN HB3 1 32 LEU QD . . 4.640 3.107 2.659 3.610 . 0 0 "[ . 1 . 2]" 1
206 1 25 ASN HB2 1 32 LEU QD . . 3.830 2.201 1.843 2.537 . 0 0 "[ . 1 . 2]" 1
207 1 33 LEU HA 1 58 ARG QD . . 4.850 2.490 1.890 3.067 . 0 0 "[ . 1 . 2]" 1
208 1 33 LEU HA 1 49 GLY HA3 . . 5.500 4.134 3.622 4.500 . 0 0 "[ . 1 . 2]" 1
209 1 33 LEU HA 1 34 GLY HA3 . . 5.500 4.861 4.774 4.921 . 0 0 "[ . 1 . 2]" 1
210 1 26 VAL MG1 1 33 LEU QB . . 4.260 3.311 2.935 3.716 . 0 0 "[ . 1 . 2]" 1
211 1 26 VAL MG1 1 33 LEU HG . . 4.860 3.008 2.153 3.254 . 0 0 "[ . 1 . 2]" 1
212 1 27 PHE HA 1 33 LEU HG . . 5.110 3.130 2.749 4.510 . 0 0 "[ . 1 . 2]" 1
213 1 33 LEU QD 1 83 TYR HB2 . . 4.960 2.257 2.081 2.400 . 0 0 "[ . 1 . 2]" 1
214 1 26 VAL MG1 1 33 LEU QD . . 3.630 1.988 1.874 2.309 . 0 0 "[ . 1 . 2]" 1
215 1 34 GLY HA2 1 46 TYR HB3 . . 5.020 3.945 3.612 4.272 . 0 0 "[ . 1 . 2]" 1
216 1 34 GLY HA2 1 60 ALA MB . . 4.850 4.731 4.525 5.024 0.174 9 0 "[ . 1 . 2]" 1
217 1 25 ASN HB2 1 35 ASN HA . . 5.430 2.814 2.083 3.560 . 0 0 "[ . 1 . 2]" 1
218 1 34 GLY HA2 1 35 ASN HA . . 5.500 4.419 4.359 4.496 . 0 0 "[ . 1 . 2]" 1
219 1 36 PHE HA 1 46 TYR HA . . 4.550 2.657 2.373 2.917 . 0 0 "[ . 1 . 2]" 1
220 1 36 PHE HA 1 37 ALA MB . . 5.500 3.949 3.913 4.007 . 0 0 "[ . 1 . 2]" 1
221 1 24 GLU HA 1 36 PHE HB3 . . 5.500 3.595 3.120 4.332 . 0 0 "[ . 1 . 2]" 1
222 1 77 GLU HG2 1 78 ALA HA . . 4.870 4.185 3.723 4.918 0.048 6 0 "[ . 1 . 2]" 1
223 1 37 ALA MB 1 38 SER QB . . 5.200 3.425 3.085 3.612 . 0 0 "[ . 1 . 2]" 1
224 1 42 ASN QB 1 64 VAL HB . . 5.500 3.913 2.543 5.438 . 0 0 "[ . 1 . 2]" 1
225 1 44 LEU HB2 1 62 VAL HB . . 4.470 2.876 1.941 4.051 . 0 0 "[ . 1 . 2]" 1
226 1 44 LEU HB3 1 62 VAL HB . . 4.660 4.248 3.590 4.811 0.151 4 0 "[ . 1 . 2]" 1
227 1 43 VAL MG1 1 44 LEU HB3 . . 5.110 5.143 5.007 5.184 0.074 10 0 "[ . 1 . 2]" 1
228 1 66 CYS HB2 1 93 CYS HA . . 3.840 2.842 1.912 3.486 . 0 0 "[ . 1 . 2]" 1
229 1 34 GLY HA3 1 46 TYR HB2 . . 5.220 2.989 2.703 3.285 . 0 0 "[ . 1 . 2]" 1
230 1 46 TYR HB2 1 60 ALA MB . . 4.570 1.989 1.894 2.185 . 0 0 "[ . 1 . 2]" 1
231 1 46 TYR HB3 1 60 ALA MB . . 4.510 3.274 3.103 3.589 . 0 0 "[ . 1 . 2]" 1
232 1 34 GLY HA3 1 46 TYR HB3 . . 4.540 2.699 2.261 3.083 . 0 0 "[ . 1 . 2]" 1
233 1 32 LEU HG 1 49 GLY HA2 . . 4.040 2.688 2.224 3.209 . 0 0 "[ . 1 . 2]" 1
234 1 32 LEU QD 1 49 GLY HA2 . . 5.500 2.649 2.282 3.114 . 0 0 "[ . 1 . 2]" 1
235 1 49 GLY HA3 1 50 GLN HB2 . . 5.200 4.422 4.196 4.783 . 0 0 "[ . 1 . 2]" 1
236 1 32 LEU HB3 1 49 GLY HA3 . . 5.500 4.394 3.828 5.015 . 0 0 "[ . 1 . 2]" 1
237 1 49 GLY HA2 1 50 GLN HA . . 4.790 4.349 4.220 4.428 . 0 0 "[ . 1 . 2]" 1
238 1 31 ILE MG 1 50 GLN HB2 . . 4.590 3.029 2.039 3.726 . 0 0 "[ . 1 . 2]" 1
239 1 32 LEU HB2 1 50 GLN HG3 . . 5.500 4.586 3.484 4.963 . 0 0 "[ . 1 . 2]" 1
240 1 32 LEU HG 1 50 GLN HG3 . . 5.500 5.367 3.894 5.623 0.123 12 0 "[ . 1 . 2]" 1
241 1 31 ILE MG 1 50 GLN HG3 . . 5.440 2.601 1.898 3.350 . 0 0 "[ . 1 . 2]" 1
242 1 55 GLY HA2 1 56 PRO QD . . 3.710 2.970 1.992 3.574 . 0 0 "[ . 1 . 2]" 1
243 1 55 GLY HA3 1 56 PRO QD . . 3.710 2.149 1.859 3.346 . 0 0 "[ . 1 . 2]" 1
244 1 49 GLY HA3 1 58 ARG HB2 . . 5.500 4.284 3.111 5.315 . 0 0 "[ . 1 . 2]" 1
245 1 49 GLY HA3 1 58 ARG HB3 . . 5.500 4.167 2.583 5.322 . 0 0 "[ . 1 . 2]" 1
246 1 33 LEU QD 1 58 ARG QD . . 4.150 2.452 1.840 3.375 . 0 0 "[ . 1 . 2]" 1
247 1 59 SER HA 1 82 GLU HG3 . . 4.850 4.263 4.025 4.540 . 0 0 "[ . 1 . 2]" 1
248 1 87 MET ME 1 89 SER QB . . 5.500 3.306 2.854 4.492 . 0 0 "[ . 1 . 2]" 1
249 1 45 LYS QD 1 60 ALA HA . . 5.500 4.844 4.263 5.519 0.019 20 0 "[ . 1 . 2]" 1
250 1 60 ALA HA 1 83 TYR HB2 . . 4.860 2.789 2.618 3.040 . 0 0 "[ . 1 . 2]" 1
251 1 60 ALA HA 1 82 GLU HA . . 5.500 3.745 3.427 4.110 . 0 0 "[ . 1 . 2]" 1
252 1 60 ALA HA 1 83 TYR HA . . 5.500 4.473 4.329 4.588 . 0 0 "[ . 1 . 2]" 1
253 1 62 VAL HB 1 85 ILE MD . . 5.310 3.969 2.847 4.506 . 0 0 "[ . 1 . 2]" 1
254 1 63 THR HB 1 86 LYS HA . . 4.290 2.819 2.441 3.287 . 0 0 "[ . 1 . 2]" 1
255 1 63 THR HB 1 86 LYS QE . . 5.500 4.390 2.782 5.590 0.090 19 0 "[ . 1 . 2]" 1
256 1 63 THR HB 1 86 LYS QD . . 4.390 3.823 2.051 4.521 0.131 2 0 "[ . 1 . 2]" 1
257 1 63 THR HB 1 86 LYS HB3 . . 5.500 5.268 4.467 5.525 0.025 13 0 "[ . 1 . 2]" 1
258 1 63 THR HB 1 84 LEU HB3 . . 5.500 5.190 4.801 5.523 0.023 9 0 "[ . 1 . 2]" 1
259 1 63 THR HB 1 86 LYS HG2 . . 5.360 3.526 2.396 5.030 . 0 0 "[ . 1 . 2]" 1
260 1 43 VAL MG2 1 63 THR HB . . 5.450 4.802 3.969 5.464 0.014 14 0 "[ . 1 . 2]" 1
261 1 66 CYS HB3 1 93 CYS HA . . 4.090 4.003 3.628 4.197 0.107 16 0 "[ . 1 . 2]" 1
262 1 66 CYS HB2 1 92 ALA MB . . 5.240 3.200 2.106 4.793 . 0 0 "[ . 1 . 2]" 1
263 1 26 VAL HB 1 46 TYR HB2 . . 4.880 4.348 3.976 4.840 . 0 0 "[ . 1 . 2]" 1
264 1 67 GLY HA3 1 88 LYS HB2 . . 5.060 2.402 2.198 2.878 . 0 0 "[ . 1 . 2]" 1
265 1 67 GLY HA2 1 68 VAL QG . . 4.770 3.461 3.392 3.586 . 0 0 "[ . 1 . 2]" 1
266 1 68 VAL HA 1 90 PRO HD2 . . 5.270 5.203 4.943 5.316 0.046 5 0 "[ . 1 . 2]" 1
267 1 67 GLY HA3 1 68 VAL HA . . 5.250 4.467 4.427 4.565 . 0 0 "[ . 1 . 2]" 1
268 1 69 GLU HB2 1 90 PRO HD2 . . 5.500 5.430 5.083 5.569 0.069 14 0 "[ . 1 . 2]" 1
269 1 70 ASN HA 1 71 GLU QB . . 4.690 4.254 3.930 4.603 . 0 0 "[ . 1 . 2]" 1
270 1 9 THR MG 1 70 ASN HA . . 5.270 4.205 3.602 4.533 . 0 0 "[ . 1 . 2]" 1
271 1 70 ASN HA 1 89 SER HA . . 4.090 2.619 2.375 2.904 . 0 0 "[ . 1 . 2]" 1
272 1 70 ASN HA 1 89 SER QB . . 5.500 2.636 2.155 3.657 . 0 0 "[ . 1 . 2]" 1
273 1 9 THR MG 1 70 ASN HB2 . . 4.610 3.304 2.991 3.853 . 0 0 "[ . 1 . 2]" 1
274 1 70 ASN HB3 1 87 MET ME . . 5.500 3.551 2.736 4.295 . 0 0 "[ . 1 . 2]" 1
275 1 9 THR MG 1 70 ASN HB3 . . 4.610 3.865 2.384 4.671 0.061 9 0 "[ . 1 . 2]" 1
276 1 72 ILE HA 1 73 VAL HA . . 5.230 4.329 4.294 4.352 . 0 0 "[ . 1 . 2]" 1
277 1 72 ILE HA 1 87 MET HA . . 4.100 2.783 2.280 3.452 . 0 0 "[ . 1 . 2]" 1
278 1 72 ILE HA 1 87 MET HG2 . . 4.360 1.899 1.802 2.073 . 0 0 "[ . 1 . 2]" 1
279 1 72 ILE HA 1 87 MET HG3 . . 4.820 3.252 2.881 3.487 . 0 0 "[ . 1 . 2]" 1
280 1 72 ILE HA 1 87 MET HB3 . . 5.500 3.828 3.468 4.145 . 0 0 "[ . 1 . 2]" 1
281 1 72 ILE HA 1 87 MET ME . . 4.900 3.495 3.149 3.760 . 0 0 "[ . 1 . 2]" 1
282 1 11 ARG HB2 1 72 ILE HB . . 4.130 2.183 1.944 3.053 . 0 0 "[ . 1 . 2]" 1
283 1 11 ARG HD3 1 72 ILE HB . . 4.960 2.824 2.124 3.074 . 0 0 "[ . 1 . 2]" 1
284 1 11 ARG HD2 1 72 ILE HB . . 5.000 3.999 3.137 4.288 . 0 0 "[ . 1 . 2]" 1
285 1 71 GLU HA 1 72 ILE HB . . 5.240 4.664 4.554 4.804 . 0 0 "[ . 1 . 2]" 1
286 1 72 ILE MG 1 74 SER HA . . 5.500 3.662 3.133 3.981 . 0 0 "[ . 1 . 2]" 1
287 1 72 ILE MG 1 87 MET HA . . 5.500 4.199 3.719 4.792 . 0 0 "[ . 1 . 2]" 1
288 1 72 ILE MG 1 73 VAL HB . . 5.070 4.504 4.210 4.733 . 0 0 "[ . 1 . 2]" 1
289 1 72 ILE MG 1 87 MET ME . . 5.120 4.264 3.880 4.556 . 0 0 "[ . 1 . 2]" 1
290 1 11 ARG HA 1 72 ILE HG13 . . 5.500 5.389 5.143 5.550 0.050 14 0 "[ . 1 . 2]" 1
291 1 71 GLU HA 1 72 ILE HG13 . . 5.260 3.558 3.352 3.691 . 0 0 "[ . 1 . 2]" 1
292 1 72 ILE HG13 1 87 MET ME . . 4.080 3.189 2.776 3.527 . 0 0 "[ . 1 . 2]" 1
293 1 9 THR MG 1 72 ILE HG13 . . 3.400 1.922 1.782 2.187 . 0 0 "[ . 1 . 2]" 1
294 1 72 ILE HG12 1 87 MET ME . . 4.750 2.799 2.218 3.179 . 0 0 "[ . 1 . 2]" 1
295 1 72 ILE HG12 1 87 MET HG3 . . 5.500 3.473 3.049 4.029 . 0 0 "[ . 1 . 2]" 1
296 1 72 ILE HG12 1 87 MET HG2 . . 4.720 2.461 2.059 3.067 . 0 0 "[ . 1 . 2]" 1
297 1 9 THR MG 1 72 ILE HG12 . . 4.080 2.944 2.504 3.332 . 0 0 "[ . 1 . 2]" 1
298 1 19 LYS HA 1 72 ILE MD . . 4.680 3.441 3.274 3.650 . 0 0 "[ . 1 . 2]" 1
299 1 9 THR HA 1 72 ILE MD . . 4.420 4.445 4.347 4.478 0.058 9 0 "[ . 1 . 2]" 1
300 1 73 VAL HB 1 74 SER QB . . 5.100 3.689 3.363 3.880 . 0 0 "[ . 1 . 2]" 1
301 1 74 SER QB 1 86 LYS HB2 . . 5.440 3.182 2.422 3.743 . 0 0 "[ . 1 . 2]" 1
302 1 73 VAL MG1 1 74 SER QB . . 4.120 3.079 2.426 3.385 . 0 0 "[ . 1 . 2]" 1
303 1 13 ILE MG 1 75 VAL HB . . 4.980 2.900 2.105 4.801 . 0 0 "[ . 1 . 2]" 1
304 1 13 ILE MD 1 75 VAL HB . . 4.590 3.651 3.030 4.196 . 0 0 "[ . 1 . 2]" 1
305 1 75 VAL MG1 1 85 ILE HA . . 4.960 2.951 2.609 4.464 . 0 0 "[ . 1 . 2]" 1
306 1 75 VAL MG2 1 85 ILE HA . . 4.960 2.395 2.102 2.605 . 0 0 "[ . 1 . 2]" 1
307 1 76 LEU HG 1 77 GLU HA . . 5.500 4.213 4.084 4.340 . 0 0 "[ . 1 . 2]" 1
308 1 76 LEU QD 1 77 GLU HA . . 5.480 4.401 4.312 4.513 . 0 0 "[ . 1 . 2]" 1
309 1 76 LEU QD 1 78 ALA HA . . 4.510 3.898 3.598 4.453 . 0 0 "[ . 1 . 2]" 1
310 1 77 GLU HA 1 83 TYR HA . . 4.040 2.358 2.060 2.686 . 0 0 "[ . 1 . 2]" 1
311 1 79 GLN HA 1 80 LYS QD . . 5.110 4.674 3.810 5.159 0.049 6 0 "[ . 1 . 2]" 1
312 1 58 ARG HA 1 81 CYS HB2 . . 4.580 2.714 2.381 3.029 . 0 0 "[ . 1 . 2]" 1
313 1 79 GLN HA 1 82 GLU HB3 . . 5.460 4.534 4.235 5.154 . 0 0 "[ . 1 . 2]" 1
314 1 62 VAL HA 1 85 ILE HB . . 4.320 1.967 1.850 2.312 . 0 0 "[ . 1 . 2]" 1
315 1 62 VAL HA 1 85 ILE MG . . 4.870 3.429 3.286 3.626 . 0 0 "[ . 1 . 2]" 1
316 1 85 ILE MG 1 87 MET HG2 . . 4.850 3.256 2.729 3.606 . 0 0 "[ . 1 . 2]" 1
317 1 76 LEU HG 1 84 LEU HG . . 5.500 4.421 4.193 4.652 . 0 0 "[ . 1 . 2]" 1
318 1 62 VAL HB 1 85 ILE HG13 . . 5.500 5.393 4.643 5.630 0.130 9 0 "[ . 1 . 2]" 1
319 1 62 VAL HA 1 85 ILE MD . . 5.500 3.596 3.245 3.978 . 0 0 "[ . 1 . 2]" 1
320 1 87 MET HA 1 87 MET ME . . 4.650 3.828 3.742 3.892 . 0 0 "[ . 1 . 2]" 1
321 1 20 VAL MG2 1 87 MET HG3 . . 4.020 3.598 3.163 4.047 0.027 16 0 "[ . 1 . 2]" 1
322 1 86 LYS HA 1 87 MET HG3 . . 5.490 4.260 3.825 4.515 . 0 0 "[ . 1 . 2]" 1
323 1 70 ASN HB2 1 87 MET ME . . 5.500 3.416 2.585 4.648 . 0 0 "[ . 1 . 2]" 1
324 1 66 CYS HA 1 88 LYS HB2 . . 5.500 3.354 2.728 3.785 . 0 0 "[ . 1 . 2]" 1
325 1 66 CYS HB3 1 88 LYS HB2 . . 5.500 5.156 4.944 5.492 . 0 0 "[ . 1 . 2]" 1
326 1 88 LYS HG3 1 89 SER HA . . 5.420 4.149 3.752 4.464 . 0 0 "[ . 1 . 2]" 1
327 1 69 GLU HA 1 90 PRO QG . . 5.500 3.198 2.715 3.583 . 0 0 "[ . 1 . 2]" 1
328 1 69 GLU HA 1 90 PRO HD2 . . 4.880 3.251 2.943 3.637 . 0 0 "[ . 1 . 2]" 1
329 1 90 PRO HD2 1 91 ALA HA . . 5.500 5.507 5.318 5.566 0.066 2 0 "[ . 1 . 2]" 1
330 1 89 SER QB 1 91 ALA MB . . 4.990 3.158 2.729 3.908 . 0 0 "[ . 1 . 2]" 1
331 1 12 GLU HB3 1 17 THR MG . . 5.180 3.662 2.647 5.087 . 0 0 "[ . 1 . 2]" 1
332 1 11 ARG HA 1 12 GLU HB3 . . 5.500 4.740 4.459 5.578 0.078 17 0 "[ . 1 . 2]" 1
333 1 12 GLU HB3 1 17 THR HA . . 5.500 3.384 2.172 5.086 . 0 0 "[ . 1 . 2]" 1
334 1 83 TYR HB2 1 85 ILE HG12 . . 5.500 4.042 3.597 5.283 . 0 0 "[ . 1 . 2]" 1
335 1 60 ALA MB 1 83 TYR HB2 . . 4.590 2.927 2.693 3.102 . 0 0 "[ . 1 . 2]" 1
336 1 83 TYR HB2 1 85 ILE MD . . 5.190 3.614 2.723 4.011 . 0 0 "[ . 1 . 2]" 1
337 1 33 LEU HA 1 83 TYR HB2 . . 5.500 5.564 5.515 5.608 0.108 7 0 "[ . 1 . 2]" 1
338 1 83 TYR HB3 1 85 ILE HG12 . . 5.250 3.569 3.107 5.188 . 0 0 "[ . 1 . 2]" 1
339 1 60 ALA MB 1 83 TYR HB3 . . 5.010 4.149 3.902 4.398 . 0 0 "[ . 1 . 2]" 1
340 1 83 TYR HB3 1 85 ILE MD . . 5.080 4.002 2.912 4.458 . 0 0 "[ . 1 . 2]" 1
341 1 33 LEU QD 1 83 TYR HB3 . . 5.060 3.032 2.876 3.185 . 0 0 "[ . 1 . 2]" 1
342 1 60 ALA HA 1 83 TYR HB3 . . 5.200 4.227 4.055 4.548 . 0 0 "[ . 1 . 2]" 1
343 1 22 PHE QE 1 92 ALA MB . . 4.730 3.821 2.711 4.790 0.060 9 0 "[ . 1 . 2]" 1
344 1 92 ALA MB 1 93 CYS H . . 4.310 2.906 2.523 3.233 . 0 0 "[ . 1 . 2]" 1
345 1 91 ALA H 1 92 ALA MB . . 4.320 4.174 4.061 4.369 0.049 17 0 "[ . 1 . 2]" 1
346 1 63 THR MG 1 65 GLU H . . 5.500 4.485 4.156 4.708 . 0 0 "[ . 1 . 2]" 1
347 1 66 CYS H 1 92 ALA MB . . 5.130 3.492 2.670 4.359 . 0 0 "[ . 1 . 2]" 1
348 1 61 ILE H 1 61 ILE HB . . 3.840 3.124 3.046 3.190 . 0 0 "[ . 1 . 2]" 1
349 1 9 THR H 1 9 THR HB . . 3.930 2.738 2.580 2.913 . 0 0 "[ . 1 . 2]" 1
350 1 9 THR MG 1 71 GLU HA . . 4.450 2.225 1.867 2.446 . 0 0 "[ . 1 . 2]" 1
351 1 10 LYS HA 1 20 VAL H . . 4.140 3.374 3.065 3.740 . 0 0 "[ . 1 . 2]" 1
352 1 10 LYS QB 1 11 ARG H . . 4.290 2.902 2.615 3.617 . 0 0 "[ . 1 . 2]" 1
353 1 10 LYS H 1 10 LYS QG . . 3.970 2.804 2.307 3.994 0.024 8 0 "[ . 1 . 2]" 1
354 1 10 LYS QG 1 20 VAL H . . 5.500 4.592 3.417 5.510 0.010 7 0 "[ . 1 . 2]" 1
355 1 10 LYS H 1 10 LYS QD . . 5.500 4.447 2.796 5.143 . 0 0 "[ . 1 . 2]" 1
356 1 11 ARG HA 1 12 GLU H . . 2.860 2.320 2.241 2.397 . 0 0 "[ . 1 . 2]" 1
357 1 11 ARG HB3 1 12 GLU H . . 5.160 3.843 3.596 4.033 . 0 0 "[ . 1 . 2]" 1
358 1 10 LYS H 1 11 ARG HB2 . . 5.500 4.318 3.814 4.588 . 0 0 "[ . 1 . 2]" 1
359 1 11 ARG HB2 1 72 ILE H . . 4.600 3.332 3.037 3.751 . 0 0 "[ . 1 . 2]" 1
360 1 11 ARG HG2 1 12 GLU H . . 4.460 3.994 2.522 4.500 0.040 3 0 "[ . 1 . 2]" 1
361 1 10 LYS H 1 11 ARG HD2 . . 5.360 5.445 5.392 5.532 0.172 14 0 "[ . 1 . 2]" 1
362 1 11 ARG HD2 1 72 ILE H . . 5.070 4.295 2.834 4.839 . 0 0 "[ . 1 . 2]" 1
363 1 11 ARG HD3 1 72 ILE H . . 5.220 3.084 2.507 3.365 . 0 0 "[ . 1 . 2]" 1
364 1 50 GLN H 1 50 GLN HB3 . . 3.750 2.977 2.437 3.639 . 0 0 "[ . 1 . 2]" 1
365 1 32 LEU H 1 50 GLN HB3 . . 5.500 3.851 2.922 4.690 . 0 0 "[ . 1 . 2]" 1
366 1 12 GLU HB2 1 13 ILE H . . 5.500 3.835 3.321 4.580 . 0 0 "[ . 1 . 2]" 1
367 1 12 GLU HB3 1 13 ILE H . . 5.230 4.190 3.590 4.441 . 0 0 "[ . 1 . 2]" 1
368 1 13 ILE HB 1 16 TYR QE . . 4.450 3.995 2.740 4.391 . 0 0 "[ . 1 . 2]" 1
369 1 13 ILE HB 1 18 TYR QD . . 3.870 2.426 1.980 3.146 . 0 0 "[ . 1 . 2]" 1
370 1 13 ILE MG 1 16 TYR QE . . 4.880 3.682 2.763 4.158 . 0 0 "[ . 1 . 2]" 1
371 1 13 ILE MG 1 75 VAL H . . 4.860 3.191 2.460 4.070 . 0 0 "[ . 1 . 2]" 1
372 1 13 ILE MG 1 14 GLY H . . 5.500 2.706 2.532 2.955 . 0 0 "[ . 1 . 2]" 1
373 1 13 ILE H 1 13 ILE MG . . 4.210 3.825 3.727 3.879 . 0 0 "[ . 1 . 2]" 1
374 1 13 ILE MD 1 74 SER HA . . 4.240 3.854 2.981 4.279 0.039 9 0 "[ . 1 . 2]" 1
375 1 13 ILE MD 1 18 TYR HA . . 4.790 4.780 4.466 4.839 0.049 9 0 "[ . 1 . 2]" 1
376 1 13 ILE MD 1 18 TYR QD . . 4.120 2.371 2.131 2.817 . 0 0 "[ . 1 . 2]" 1
377 1 11 ARG H 1 13 ILE MD . . 4.180 4.059 3.754 4.271 0.091 3 0 "[ . 1 . 2]" 1
378 1 13 ILE MD 1 14 GLY H . . 5.500 4.911 4.747 5.322 . 0 0 "[ . 1 . 2]" 1
379 1 13 ILE H 1 13 ILE MD . . 4.690 2.626 2.324 3.765 . 0 0 "[ . 1 . 2]" 1
380 1 16 TYR HB2 1 17 THR H . . 3.950 2.876 2.532 3.200 . 0 0 "[ . 1 . 2]" 1
381 1 16 TYR HB2 1 29 ASP H . . 5.040 3.814 3.395 4.146 . 0 0 "[ . 1 . 2]" 1
382 1 16 TYR H 1 16 TYR HB3 . . 3.780 3.505 3.374 3.657 . 0 0 "[ . 1 . 2]" 1
383 1 16 TYR HB3 1 17 THR H . . 4.260 3.565 3.301 3.893 . 0 0 "[ . 1 . 2]" 1
384 1 12 GLU HA 1 17 THR HA . . 3.540 1.999 1.786 2.229 . 0 0 "[ . 1 . 2]" 1
385 1 17 THR H 1 17 THR HB . . 3.170 2.528 2.471 2.570 . 0 0 "[ . 1 . 2]" 1
386 1 17 THR HB 1 29 ASP H . . 3.020 2.920 2.627 3.045 0.025 9 0 "[ . 1 . 2]" 1
387 1 18 TYR HA 1 19 LYS H . . 3.210 2.093 2.023 2.135 . 0 0 "[ . 1 . 2]" 1
388 1 18 TYR HA 1 29 ASP H . . 5.000 3.716 3.510 3.979 . 0 0 "[ . 1 . 2]" 1
389 1 11 ARG H 1 18 TYR HB3 . . 5.000 4.114 3.427 4.334 . 0 0 "[ . 1 . 2]" 1
390 1 18 TYR HB2 1 19 LYS H . . 4.830 4.275 4.219 4.382 . 0 0 "[ . 1 . 2]" 1
391 1 11 ARG H 1 19 LYS HA . . 4.670 3.861 3.632 4.081 . 0 0 "[ . 1 . 2]" 1
392 1 19 LYS HA 1 20 VAL H . . 3.010 2.156 2.076 2.203 . 0 0 "[ . 1 . 2]" 1
393 1 10 LYS HA 1 19 LYS HA . . 3.780 2.429 2.209 2.646 . 0 0 "[ . 1 . 2]" 1
394 1 66 CYS H 1 88 LYS HB2 . . 5.250 3.563 2.935 3.800 . 0 0 "[ . 1 . 2]" 1
395 1 19 LYS HG2 1 20 VAL H . . 4.340 3.103 2.927 3.420 . 0 0 "[ . 1 . 2]" 1
396 1 86 LYS HG3 1 87 MET H . . 5.270 4.986 3.209 5.285 0.015 6 0 "[ . 1 . 2]" 1
397 1 19 LYS HG3 1 20 VAL H . . 4.340 3.539 3.164 3.721 . 0 0 "[ . 1 . 2]" 1
398 1 19 LYS QE 1 27 PHE QD . . 3.690 2.833 1.918 3.242 . 0 0 "[ . 1 . 2]" 1
399 1 19 LYS QE 1 27 PHE QE . . 4.260 4.019 2.615 4.373 0.113 3 0 "[ . 1 . 2]" 1
400 1 20 VAL HA 1 21 VAL H . . 3.300 2.139 2.061 2.200 . 0 0 "[ . 1 . 2]" 1
401 1 20 VAL HA 1 25 ASN H . . 5.500 5.098 4.681 5.510 0.010 9 0 "[ . 1 . 2]" 1
402 1 9 THR H 1 20 VAL HB . . 4.780 3.335 2.759 3.828 . 0 0 "[ . 1 . 2]" 1
403 1 19 LYS H 1 20 VAL MG2 . . 4.870 4.077 3.921 4.285 . 0 0 "[ . 1 . 2]" 1
404 1 20 VAL MG1 1 46 TYR QE . . 5.500 3.643 3.387 4.131 . 0 0 "[ . 1 . 2]" 1
405 1 20 VAL MG1 1 22 PHE QD . . 4.910 2.561 2.018 3.258 . 0 0 "[ . 1 . 2]" 1
406 1 21 VAL HB 1 24 GLU H . . 5.300 2.912 2.081 3.778 . 0 0 "[ . 1 . 2]" 1
407 1 21 VAL HB 1 25 ASN H . . 3.750 2.110 1.876 2.301 . 0 0 "[ . 1 . 2]" 1
408 1 21 VAL HB 1 22 PHE H . . 5.330 3.371 2.948 4.294 . 0 0 "[ . 1 . 2]" 1
409 1 87 MET H 1 87 MET HG2 . . 5.300 4.289 4.131 4.388 . 0 0 "[ . 1 . 2]" 1
410 1 6 GLY H 1 21 VAL MG1 . . 4.350 2.336 1.850 2.783 . 0 0 "[ . 1 . 2]" 1
411 1 21 VAL MG2 1 25 ASN H . . 4.570 3.257 2.661 3.848 . 0 0 "[ . 1 . 2]" 1
412 1 6 GLY H 1 21 VAL MG2 . . 5.410 4.934 4.297 5.448 0.038 6 0 "[ . 1 . 2]" 1
413 1 22 PHE HA 1 22 PHE QD . . 4.290 2.732 2.196 3.097 . 0 0 "[ . 1 . 2]" 1
414 1 22 PHE HA 1 24 GLU H . . 5.000 4.149 3.330 4.906 . 0 0 "[ . 1 . 2]" 1
415 1 7 MET H 1 22 PHE HB2 . . 5.500 3.839 1.881 5.531 0.031 19 0 "[ . 1 . 2]" 1
416 1 23 TYR HA 1 23 TYR QE . . 5.500 4.611 4.447 4.718 . 0 0 "[ . 1 . 2]" 1
417 1 23 TYR HA 1 36 PHE HZ . . 5.500 4.787 4.089 5.509 0.009 13 0 "[ . 1 . 2]" 1
418 1 24 GLU HB2 1 25 ASN H . . 3.800 2.192 2.037 2.393 . 0 0 "[ . 1 . 2]" 1
419 1 21 VAL H 1 24 GLU HB3 . . 5.500 5.540 5.406 5.596 0.096 1 0 "[ . 1 . 2]" 1
420 1 25 ASN HA 1 46 TYR QE . . 4.530 2.566 1.929 3.229 . 0 0 "[ . 1 . 2]" 1
421 1 25 ASN HA 1 25 ASN HD22 . . 5.500 5.196 4.893 5.396 . 0 0 "[ . 1 . 2]" 1
422 1 25 ASN HA 1 46 TYR QD . . 4.010 2.161 1.903 2.518 . 0 0 "[ . 1 . 2]" 1
423 1 25 ASN HB2 1 26 VAL H . . 4.030 2.027 1.910 2.165 . 0 0 "[ . 1 . 2]" 1
424 1 20 VAL HA 1 26 VAL HB . . 5.500 4.648 4.464 4.776 . 0 0 "[ . 1 . 2]" 1
425 1 26 VAL HB 1 27 PHE H . . 5.500 4.018 3.944 4.075 . 0 0 "[ . 1 . 2]" 1
426 1 19 LYS H 1 26 VAL MG1 . . 4.730 2.960 2.849 3.051 . 0 0 "[ . 1 . 2]" 1
427 1 26 VAL MG1 1 27 PHE H . . 4.230 2.461 2.320 2.549 . 0 0 "[ . 1 . 2]" 1
428 1 26 VAL MG1 1 27 PHE HA . . 4.970 3.697 3.518 3.828 . 0 0 "[ . 1 . 2]" 1
429 1 18 TYR HA 1 26 VAL MG1 . . 5.500 3.606 3.396 3.768 . 0 0 "[ . 1 . 2]" 1
430 1 26 VAL MG2 1 46 TYR QE . . 4.800 2.951 2.709 3.270 . 0 0 "[ . 1 . 2]" 1
431 1 26 VAL MG2 1 46 TYR QD . . 4.250 3.154 2.717 3.412 . 0 0 "[ . 1 . 2]" 1
432 1 19 LYS H 1 26 VAL MG2 . . 4.960 4.990 4.925 5.039 0.079 7 0 "[ . 1 . 2]" 1
433 1 26 VAL MG2 1 27 PHE H . . 5.190 3.962 3.874 4.040 . 0 0 "[ . 1 . 2]" 1
434 1 27 PHE HA 1 27 PHE QD . . 4.460 2.923 2.731 3.118 . 0 0 "[ . 1 . 2]" 1
435 1 27 PHE HB2 1 28 GLN H . . 4.850 3.598 3.534 3.744 . 0 0 "[ . 1 . 2]" 1
436 1 27 PHE HB3 1 29 ASP H . . 5.500 4.129 3.804 4.535 . 0 0 "[ . 1 . 2]" 1
437 1 17 THR H 1 28 GLN HA . . 5.500 3.949 3.743 4.495 . 0 0 "[ . 1 . 2]" 1
438 1 16 TYR QE 1 28 GLN HB3 . . 4.720 4.170 3.788 4.529 . 0 0 "[ . 1 . 2]" 1
439 1 18 TYR QD 1 28 GLN HB3 . . 3.810 3.604 3.141 3.985 0.175 14 0 "[ . 1 . 2]" 1
440 1 16 TYR QD 1 28 GLN HB3 . . 3.820 2.750 2.015 3.010 . 0 0 "[ . 1 . 2]" 1
441 1 18 TYR QD 1 26 VAL HB . . 5.500 4.851 4.486 5.186 . 0 0 "[ . 1 . 2]" 1
442 1 17 THR H 1 29 ASP HA . . 5.500 3.131 2.630 3.917 . 0 0 "[ . 1 . 2]" 1
443 1 29 ASP HB3 1 31 ILE H . . 4.410 3.331 3.055 4.419 0.009 18 0 "[ . 1 . 2]" 1
444 1 29 ASP HB2 1 30 SER H . . 3.370 3.231 2.313 3.416 0.046 20 0 "[ . 1 . 2]" 1
445 1 30 SER QB 1 31 ILE H . . 5.500 3.356 3.027 3.817 . 0 0 "[ . 1 . 2]" 1
446 1 31 ILE HA 1 32 LEU H . . 3.260 2.079 2.016 2.120 . 0 0 "[ . 1 . 2]" 1
447 1 30 SER H 1 31 ILE HB . . 5.500 3.913 3.655 4.314 . 0 0 "[ . 1 . 2]" 1
448 1 31 ILE HB 1 32 LEU H . . 5.500 4.220 4.150 4.322 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLN H 1 31 ILE HB . . 4.050 3.633 3.126 3.880 . 0 0 "[ . 1 . 2]" 1
450 1 31 ILE MG 1 50 GLN H . . 4.670 4.185 3.627 4.677 0.007 7 0 "[ . 1 . 2]" 1
451 1 31 ILE MG 1 32 LEU H . . 4.200 2.770 2.576 2.990 . 0 0 "[ . 1 . 2]" 1
452 1 28 GLN H 1 31 ILE MG . . 5.500 4.096 3.785 4.379 . 0 0 "[ . 1 . 2]" 1
453 1 31 ILE MG 1 33 LEU H . . 5.500 4.267 3.924 4.638 . 0 0 "[ . 1 . 2]" 1
454 1 31 ILE H 1 31 ILE MD . . 4.260 3.734 3.441 3.960 . 0 0 "[ . 1 . 2]" 1
455 1 32 LEU HA 1 34 GLY H . . 5.500 4.447 3.986 4.957 . 0 0 "[ . 1 . 2]" 1
456 1 27 PHE QD 1 32 LEU HA . . 4.210 2.337 1.998 2.608 . 0 0 "[ . 1 . 2]" 1
457 1 32 LEU HA 1 33 LEU H . . 3.350 2.156 2.012 2.213 . 0 0 "[ . 1 . 2]" 1
458 1 27 PHE QE 1 32 LEU HB2 . . 5.500 2.678 2.280 2.818 . 0 0 "[ . 1 . 2]" 1
459 1 32 LEU HB2 1 50 GLN H . . 4.960 4.691 4.429 4.925 . 0 0 "[ . 1 . 2]" 1
460 1 32 LEU H 1 32 LEU HB3 . . 3.950 2.256 2.159 2.375 . 0 0 "[ . 1 . 2]" 1
461 1 32 LEU HG 1 34 GLY H . . 5.020 3.569 2.865 3.987 . 0 0 "[ . 1 . 2]" 1
462 1 32 LEU HG 1 35 ASN HD21 . . 4.240 4.013 3.067 4.321 0.081 6 0 "[ . 1 . 2]" 1
463 1 27 PHE QE 1 32 LEU HG . . 5.500 4.846 4.687 5.003 . 0 0 "[ . 1 . 2]" 1
464 1 32 LEU HG 1 50 GLN H . . 4.270 2.919 2.462 3.647 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU H 1 32 LEU HG . . 5.140 4.277 4.161 4.403 . 0 0 "[ . 1 . 2]" 1
466 1 27 PHE QD 1 32 LEU QD . . 5.500 2.794 2.510 3.073 . 0 0 "[ . 1 . 2]" 1
467 1 26 VAL H 1 32 LEU QD . . 4.320 3.014 2.789 3.284 . 0 0 "[ . 1 . 2]" 1
468 1 25 ASN HD21 1 32 LEU QD . . 5.150 3.060 1.885 4.553 . 0 0 "[ . 1 . 2]" 1
469 1 33 LEU HA 1 50 GLN H . . 5.500 3.994 3.740 4.365 . 0 0 "[ . 1 . 2]" 1
470 1 33 LEU QB 1 34 GLY H . . 5.500 2.029 1.816 2.491 . 0 0 "[ . 1 . 2]" 1
471 1 28 GLN H 1 33 LEU HG . . 5.160 3.643 3.217 5.177 0.017 18 0 "[ . 1 . 2]" 1
472 1 27 PHE H 1 33 LEU HG . . 4.820 4.530 4.180 4.848 0.028 18 0 "[ . 1 . 2]" 1
473 1 33 LEU QD 1 83 TYR HA . . 5.500 4.516 4.417 4.622 . 0 0 "[ . 1 . 2]" 1
474 1 16 TYR QE 1 33 LEU QD . . 4.690 4.504 4.214 4.676 . 0 0 "[ . 1 . 2]" 1
475 1 18 TYR QD 1 33 LEU QD . . 4.070 2.409 2.058 3.358 . 0 0 "[ . 1 . 2]" 1
476 1 33 LEU QD 1 83 TYR QD . . 3.610 2.466 2.241 2.705 . 0 0 "[ . 1 . 2]" 1
477 1 27 PHE H 1 33 LEU QD . . 5.390 4.173 3.466 4.570 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLY HA2 1 47 GLU H . . 5.120 4.528 4.308 4.863 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLY HA3 1 47 GLU H . . 5.500 3.832 3.475 4.198 . 0 0 "[ . 1 . 2]" 1
480 1 34 GLY HA3 1 49 GLY H . . 5.500 3.862 3.684 4.126 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASN HA 1 46 TYR QD . . 5.180 2.816 2.464 3.378 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL H 1 35 ASN HA . . 5.500 4.034 3.584 4.844 . 0 0 "[ . 1 . 2]" 1
483 1 35 ASN H 1 35 ASN HB2 . . 4.020 2.687 2.511 2.805 . 0 0 "[ . 1 . 2]" 1
484 1 36 PHE HA 1 46 TYR QE . . 5.470 3.565 3.145 3.848 . 0 0 "[ . 1 . 2]" 1
485 1 36 PHE HA 1 38 SER H . . 5.370 3.966 3.769 4.046 . 0 0 "[ . 1 . 2]" 1
486 1 35 ASN HA 1 36 PHE HB3 . . 5.500 4.759 4.644 4.934 . 0 0 "[ . 1 . 2]" 1
487 1 36 PHE HB3 1 46 TYR QE . . 5.180 4.195 3.731 4.870 . 0 0 "[ . 1 . 2]" 1
488 1 37 ALA MB 1 38 SER H . . 3.490 2.353 2.227 2.525 . 0 0 "[ . 1 . 2]" 1
489 1 38 SER QB 1 39 GLN H . . 4.620 2.794 2.375 3.584 . 0 0 "[ . 1 . 2]" 1
490 1 39 GLN HB2 1 40 GLU H . . 5.500 3.778 2.886 4.524 . 0 0 "[ . 1 . 2]" 1
491 1 39 GLN HB3 1 40 GLU H . . 5.500 4.168 3.799 4.394 . 0 0 "[ . 1 . 2]" 1
492 1 41 GLY HA3 1 43 VAL HB . . 5.500 4.766 4.157 5.523 0.023 14 0 "[ . 1 . 2]" 1
493 1 41 GLY HA3 1 43 VAL H . . 4.690 3.290 3.024 3.636 . 0 0 "[ . 1 . 2]" 1
494 1 40 GLU H 1 43 VAL HB . . 4.250 3.712 3.111 4.270 0.020 12 0 "[ . 1 . 2]" 1
495 1 43 VAL MG1 1 63 THR H . . 4.890 4.266 3.704 4.928 0.038 14 0 "[ . 1 . 2]" 1
496 1 43 VAL MG1 1 64 VAL H . . 5.500 4.182 3.727 4.829 . 0 0 "[ . 1 . 2]" 1
497 1 44 LEU HB2 1 46 TYR QE . . 4.760 2.902 2.380 3.692 . 0 0 "[ . 1 . 2]" 1
498 1 22 PHE QD 1 44 LEU HB2 . . 5.500 4.725 3.777 5.513 0.013 11 0 "[ . 1 . 2]" 1
499 1 44 LEU HB2 1 62 VAL H . . 5.500 3.681 2.998 4.026 . 0 0 "[ . 1 . 2]" 1
500 1 44 LEU HB3 1 46 TYR QE . . 4.580 3.219 2.687 3.679 . 0 0 "[ . 1 . 2]" 1
501 1 44 LEU HB3 1 45 LYS H . . 4.340 3.124 2.885 3.420 . 0 0 "[ . 1 . 2]" 1
502 1 44 LEU HG 1 46 TYR QE . . 5.500 4.812 3.685 5.532 0.032 17 0 "[ . 1 . 2]" 1
503 1 22 PHE QD 1 44 LEU HG . . 5.500 4.590 2.544 5.538 0.038 13 0 "[ . 1 . 2]" 1
504 1 44 LEU H 1 44 LEU HG . . 5.500 3.926 2.515 4.293 . 0 0 "[ . 1 . 2]" 1
505 1 23 TYR QE 1 44 LEU MD1 . . 4.870 4.213 2.858 4.941 0.071 12 0 "[ . 1 . 2]" 1
506 1 22 PHE QD 1 44 LEU MD1 . . 4.850 3.373 1.890 4.147 . 0 0 "[ . 1 . 2]" 1
507 1 23 TYR QE 1 44 LEU MD2 . . 4.870 3.878 2.972 4.931 0.061 16 0 "[ . 1 . 2]" 1
508 1 22 PHE QD 1 44 LEU MD2 . . 4.850 2.999 2.027 4.715 . 0 0 "[ . 1 . 2]" 1
509 1 73 VAL HB 1 87 MET HA . . 5.500 3.991 3.568 4.422 . 0 0 "[ . 1 . 2]" 1
510 1 73 VAL HB 1 74 SER H . . 3.380 2.237 1.969 2.522 . 0 0 "[ . 1 . 2]" 1
511 1 73 VAL H 1 73 VAL HB . . 3.980 2.530 2.480 2.596 . 0 0 "[ . 1 . 2]" 1
512 1 45 LYS HG2 1 46 TYR H . . 5.210 4.166 3.578 4.600 . 0 0 "[ . 1 . 2]" 1
513 1 45 LYS QD 1 47 GLU H . . 5.500 4.508 3.682 5.118 . 0 0 "[ . 1 . 2]" 1
514 1 45 LYS H 1 45 LYS QD . . 5.500 4.439 4.330 4.562 . 0 0 "[ . 1 . 2]" 1
515 1 45 LYS QD 1 46 TYR H . . 5.500 1.859 1.695 2.239 . 0 0 "[ . 1 . 2]" 1
516 1 35 ASN H 1 45 LYS HE2 . . 5.500 5.594 5.467 5.701 0.201 9 0 "[ . 1 . 2]" 1
517 1 35 ASN H 1 45 LYS HE3 . . 5.500 5.610 5.457 5.711 0.211 19 0 "[ . 1 . 2]" 1
518 1 66 CYS HB2 1 67 GLY H . . 4.740 3.821 3.687 3.920 . 0 0 "[ . 1 . 2]" 1
519 1 46 TYR HB3 1 47 GLU H . . 3.930 3.529 3.317 3.708 . 0 0 "[ . 1 . 2]" 1
520 1 47 GLU H 1 47 GLU HG2 . . 4.970 3.379 2.369 4.682 . 0 0 "[ . 1 . 2]" 1
521 1 35 ASN HD21 1 48 ASN HB2 . . 5.500 3.987 2.627 5.529 0.029 7 0 "[ . 1 . 2]" 1
522 1 48 ASN HB2 1 49 GLY H . . 4.790 4.337 4.142 4.623 . 0 0 "[ . 1 . 2]" 1
523 1 48 ASN H 1 48 ASN HB2 . . 4.150 3.570 3.139 3.714 . 0 0 "[ . 1 . 2]" 1
524 1 35 ASN H 1 48 ASN HB2 . . 5.500 4.253 3.656 5.399 . 0 0 "[ . 1 . 2]" 1
525 1 57 HIS HA 1 58 ARG H . . 3.350 2.386 2.139 3.237 . 0 0 "[ . 1 . 2]" 1
526 1 52 CYS H 1 57 HIS HA . . 4.050 3.043 2.066 4.061 0.011 14 0 "[ . 1 . 2]" 1
527 1 50 GLN H 1 50 GLN HB2 . . 3.580 2.341 2.215 2.526 . 0 0 "[ . 1 . 2]" 1
528 1 50 GLN HE22 1 50 GLN HG3 . . 3.960 3.545 3.446 4.015 0.055 13 0 "[ . 1 . 2]" 1
529 1 50 GLN H 1 50 GLN HG3 . . 4.480 4.036 2.567 4.488 0.008 6 0 "[ . 1 . 2]" 1
530 1 32 LEU H 1 50 GLN HG3 . . 5.500 2.599 1.999 3.108 . 0 0 "[ . 1 . 2]" 1
531 1 50 GLN H 1 50 GLN HG2 . . 4.620 3.692 2.318 4.475 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU H 1 50 GLN HG2 . . 5.230 3.550 2.197 4.520 . 0 0 "[ . 1 . 2]" 1
533 1 11 ARG H 1 17 THR HA . . 4.920 4.155 3.886 4.393 . 0 0 "[ . 1 . 2]" 1
534 1 49 GLY H 1 57 HIS HB2 . . 5.500 3.674 2.760 5.480 . 0 0 "[ . 1 . 2]" 1
535 1 49 GLY H 1 57 HIS HB3 . . 5.500 3.269 2.531 5.284 . 0 0 "[ . 1 . 2]" 1
536 1 58 ARG QD 1 83 TYR QE . . 3.740 2.568 1.967 3.604 . 0 0 "[ . 1 . 2]" 1
537 1 58 ARG H 1 58 ARG QD . . 5.500 4.277 3.528 5.524 0.024 13 0 "[ . 1 . 2]" 1
538 1 48 ASN H 1 59 SER QB . . 4.640 3.845 2.548 4.687 0.047 1 0 "[ . 1 . 2]" 1
539 1 60 ALA HA 1 83 TYR QD . . 5.500 3.803 3.559 4.209 . 0 0 "[ . 1 . 2]" 1
540 1 60 ALA HA 1 83 TYR H . . 4.000 2.337 2.124 2.553 . 0 0 "[ . 1 . 2]" 1
541 1 62 VAL HA 1 85 ILE H . . 4.850 2.976 2.755 3.256 . 0 0 "[ . 1 . 2]" 1
542 1 46 TYR QE 1 62 VAL HB . . 4.540 2.442 1.887 3.235 . 0 0 "[ . 1 . 2]" 1
543 1 44 LEU H 1 62 VAL HB . . 4.960 3.453 2.680 4.795 . 0 0 "[ . 1 . 2]" 1
544 1 63 THR HB 1 87 MET H . . 5.260 3.957 3.528 4.426 . 0 0 "[ . 1 . 2]" 1
545 1 64 VAL HA 1 65 GLU H . . 3.360 2.136 2.031 2.193 . 0 0 "[ . 1 . 2]" 1
546 1 66 CYS HA 1 67 GLY H . . 2.920 2.278 2.150 2.421 . 0 0 "[ . 1 . 2]" 1
547 1 66 CYS HB3 1 67 GLY H . . 5.330 3.917 3.646 4.246 . 0 0 "[ . 1 . 2]" 1
548 1 66 CYS H 1 66 CYS HB3 . . 3.980 3.612 3.447 3.709 . 0 0 "[ . 1 . 2]" 1
549 1 66 CYS HB2 1 92 ALA H . . 5.260 4.741 4.145 5.406 0.146 18 0 "[ . 1 . 2]" 1
550 1 67 GLY HA3 1 68 VAL H . . 3.390 2.362 2.248 2.557 . 0 0 "[ . 1 . 2]" 1
551 1 67 GLY HA2 1 69 GLU H . . 4.410 4.455 4.118 4.833 0.423 16 0 "[ . 1 . 2]" 1
552 1 67 GLY HA2 1 68 VAL H . . 3.550 2.759 2.554 2.915 . 0 0 "[ . 1 . 2]" 1
553 1 67 GLY HA2 1 89 SER H . . 5.500 4.787 4.565 4.975 . 0 0 "[ . 1 . 2]" 1
554 1 68 VAL QG 1 69 GLU H . . 3.970 3.391 3.264 3.506 . 0 0 "[ . 1 . 2]" 1
555 1 69 GLU H 1 69 GLU HB2 . . 3.820 3.607 3.167 3.845 0.025 16 0 "[ . 1 . 2]" 1
556 1 69 GLU HB2 1 70 ASN H . . 4.230 3.011 2.427 3.931 . 0 0 "[ . 1 . 2]" 1
557 1 71 GLU QB 1 72 ILE H . . 4.480 3.119 2.598 3.642 . 0 0 "[ . 1 . 2]" 1
558 1 71 GLU H 1 71 GLU HG3 . . 5.280 3.848 3.042 4.829 . 0 0 "[ . 1 . 2]" 1
559 1 72 ILE HA 1 74 SER H . . 4.570 4.270 3.892 4.580 0.010 13 0 "[ . 1 . 2]" 1
560 1 72 ILE MG 1 74 SER H . . 3.980 3.132 2.805 3.488 . 0 0 "[ . 1 . 2]" 1
561 1 72 ILE MG 1 73 VAL H . . 4.000 2.870 2.575 3.068 . 0 0 "[ . 1 . 2]" 1
562 1 72 ILE H 1 72 ILE HG13 . . 3.370 2.183 2.082 2.350 . 0 0 "[ . 1 . 2]" 1
563 1 71 GLU HA 1 72 ILE HG12 . . 5.500 4.762 4.488 4.946 . 0 0 "[ . 1 . 2]" 1
564 1 72 ILE HG12 1 87 MET HA . . 5.500 4.800 4.311 5.499 . 0 0 "[ . 1 . 2]" 1
565 1 10 LYS HA 1 72 ILE HG12 . . 5.500 5.216 4.862 5.565 0.065 13 0 "[ . 1 . 2]" 1
566 1 20 VAL H 1 72 ILE HG12 . . 5.030 5.030 4.861 5.160 0.130 8 0 "[ . 1 . 2]" 1
567 1 72 ILE HG12 1 73 VAL H . . 5.500 4.619 4.440 4.772 . 0 0 "[ . 1 . 2]" 1
568 1 18 TYR QD 1 72 ILE MD . . 4.900 4.016 2.918 4.414 . 0 0 "[ . 1 . 2]" 1
569 1 11 ARG H 1 72 ILE MD . . 4.120 2.531 2.417 2.750 . 0 0 "[ . 1 . 2]" 1
570 1 20 VAL H 1 72 ILE MD . . 3.900 2.993 2.686 3.270 . 0 0 "[ . 1 . 2]" 1
571 1 72 ILE MD 1 73 VAL H . . 5.470 5.261 5.074 5.387 . 0 0 "[ . 1 . 2]" 1
572 1 72 ILE HA 1 73 VAL HB . . 5.110 4.622 4.556 4.698 . 0 0 "[ . 1 . 2]" 1
573 1 73 VAL MG1 1 74 SER H . . 4.750 3.198 3.003 3.482 . 0 0 "[ . 1 . 2]" 1
574 1 75 VAL HB 1 76 LEU H . . 5.410 4.109 3.967 4.254 . 0 0 "[ . 1 . 2]" 1
575 1 16 TYR QE 1 75 VAL MG1 . . 5.500 4.442 2.626 4.825 . 0 0 "[ . 1 . 2]" 1
576 1 75 VAL MG1 1 76 LEU H . . 4.380 2.709 2.452 3.868 . 0 0 "[ . 1 . 2]" 1
577 1 16 TYR QE 1 75 VAL MG2 . . 5.500 5.351 4.029 5.539 0.039 12 0 "[ . 1 . 2]" 1
578 1 75 VAL MG2 1 76 LEU H . . 4.380 4.038 2.519 4.174 . 0 0 "[ . 1 . 2]" 1
579 1 76 LEU HB3 1 77 GLU H . . 5.500 4.213 4.109 4.335 . 0 0 "[ . 1 . 2]" 1
580 1 76 LEU HB3 1 84 LEU H . . 5.500 3.956 3.700 4.171 . 0 0 "[ . 1 . 2]" 1
581 1 76 LEU HB2 1 84 LEU H . . 5.500 5.256 5.038 5.446 . 0 0 "[ . 1 . 2]" 1
582 1 85 ILE H 1 85 ILE HG12 . . 3.980 3.538 3.288 4.068 0.088 3 0 "[ . 1 . 2]" 1
583 1 76 LEU H 1 76 LEU HG . . 4.750 4.501 4.461 4.545 . 0 0 "[ . 1 . 2]" 1
584 1 77 GLU HA 1 78 ALA H . . 3.270 2.206 2.131 2.367 . 0 0 "[ . 1 . 2]" 1
585 1 77 GLU HA 1 84 LEU H . . 4.460 3.198 2.870 3.541 . 0 0 "[ . 1 . 2]" 1
586 1 77 GLU HG3 1 80 LYS HA . . 5.500 5.522 5.445 5.576 0.076 4 0 "[ . 1 . 2]" 1
587 1 77 GLU HG3 1 83 TYR QE . . 5.500 3.899 3.416 5.456 . 0 0 "[ . 1 . 2]" 1
588 1 77 GLU HG3 1 78 ALA H . . 5.500 4.036 2.659 4.636 . 0 0 "[ . 1 . 2]" 1
589 1 78 ALA MB 1 84 LEU H . . 5.500 4.500 4.164 4.889 . 0 0 "[ . 1 . 2]" 1
590 1 79 GLN H 1 79 GLN HB2 . . 4.180 2.699 2.371 3.193 . 0 0 "[ . 1 . 2]" 1
591 1 80 LYS HA 1 82 GLU H . . 4.360 3.827 3.708 4.010 . 0 0 "[ . 1 . 2]" 1
592 1 80 LYS QB 1 81 CYS H . . 4.850 3.796 3.733 3.923 . 0 0 "[ . 1 . 2]" 1
593 1 79 GLN HA 1 80 LYS QG . . 5.500 4.403 3.417 5.581 0.081 9 0 "[ . 1 . 2]" 1
594 1 59 SER H 1 81 CYS HB3 . . 4.700 3.898 3.507 4.210 . 0 0 "[ . 1 . 2]" 1
595 1 80 LYS HA 1 82 GLU HB2 . . 5.500 5.348 5.082 5.587 0.087 4 0 "[ . 1 . 2]" 1
596 1 22 PHE H 1 24 GLU HB2 . . 5.500 4.770 4.314 5.207 . 0 0 "[ . 1 . 2]" 1
597 1 59 SER H 1 82 GLU HB2 . . 5.210 4.083 3.809 4.391 . 0 0 "[ . 1 . 2]" 1
598 1 60 ALA H 1 82 GLU HG2 . . 5.500 4.933 4.596 5.362 . 0 0 "[ . 1 . 2]" 1
599 1 61 ILE H 1 84 LEU HA . . 4.080 3.261 3.100 3.405 . 0 0 "[ . 1 . 2]" 1
600 1 76 LEU H 1 84 LEU HB2 . . 5.500 2.521 2.319 2.668 . 0 0 "[ . 1 . 2]" 1
601 1 84 LEU HB2 1 85 ILE H . . 5.500 4.259 4.166 4.322 . 0 0 "[ . 1 . 2]" 1
602 1 76 LEU H 1 84 LEU HB3 . . 5.350 4.037 3.786 4.202 . 0 0 "[ . 1 . 2]" 1
603 1 76 LEU H 1 84 LEU HG . . 4.270 4.247 3.970 4.307 0.037 17 0 "[ . 1 . 2]" 1
604 1 84 LEU H 1 84 LEU HG . . 3.670 2.319 2.149 2.422 . 0 0 "[ . 1 . 2]" 1
605 1 85 ILE H 1 85 ILE HB . . 3.840 2.611 2.490 2.690 . 0 0 "[ . 1 . 2]" 1
606 1 85 ILE MG 1 86 LYS H . . 3.690 2.718 2.534 2.865 . 0 0 "[ . 1 . 2]" 1
607 1 74 SER H 1 85 ILE MG . . 5.460 4.451 4.238 4.728 . 0 0 "[ . 1 . 2]" 1
608 1 63 THR H 1 85 ILE MG . . 5.390 4.071 3.811 4.403 . 0 0 "[ . 1 . 2]" 1
609 1 76 LEU H 1 85 ILE MG . . 5.500 5.472 5.334 5.546 0.046 14 0 "[ . 1 . 2]" 1
610 1 73 VAL H 1 85 ILE MG . . 4.940 4.398 4.227 4.586 . 0 0 "[ . 1 . 2]" 1
611 1 85 ILE HG13 1 86 LYS H . . 5.500 5.088 4.289 5.223 . 0 0 "[ . 1 . 2]" 1
612 1 85 ILE H 1 85 ILE HG13 . . 5.340 2.472 2.266 3.655 . 0 0 "[ . 1 . 2]" 1
613 1 61 ILE H 1 85 ILE MD . . 5.500 3.666 2.581 3.937 . 0 0 "[ . 1 . 2]" 1
614 1 85 ILE H 1 85 ILE MD . . 4.840 3.763 2.062 3.981 . 0 0 "[ . 1 . 2]" 1
615 1 86 LYS HA 1 87 MET H . . 3.520 2.206 2.014 2.351 . 0 0 "[ . 1 . 2]" 1
616 1 72 ILE HA 1 86 LYS HB3 . . 5.500 5.364 5.005 5.572 0.072 14 0 "[ . 1 . 2]" 1
617 1 74 SER QB 1 86 LYS HB3 . . 5.050 3.435 2.563 4.665 . 0 0 "[ . 1 . 2]" 1
618 1 73 VAL H 1 86 LYS HB3 . . 4.220 3.660 3.219 3.915 . 0 0 "[ . 1 . 2]" 1
619 1 74 SER H 1 86 LYS HB3 . . 4.020 2.601 1.900 3.484 . 0 0 "[ . 1 . 2]" 1
620 1 74 SER H 1 86 LYS HB2 . . 4.050 3.118 1.872 3.839 . 0 0 "[ . 1 . 2]" 1
621 1 86 LYS H 1 86 LYS HB2 . . 3.640 2.469 2.315 2.809 . 0 0 "[ . 1 . 2]" 1
622 1 86 LYS HB2 1 87 MET H . . 5.310 4.487 4.088 4.707 . 0 0 "[ . 1 . 2]" 1
623 1 80 LYS H 1 80 LYS QG . . 3.850 2.337 1.794 3.469 . 0 0 "[ . 1 . 2]" 1
624 1 80 LYS QG 1 81 CYS H . . 5.500 4.919 4.556 5.039 . 0 0 "[ . 1 . 2]" 1
625 1 73 VAL H 1 86 LYS QD . . 5.500 4.541 3.559 5.544 0.044 20 0 "[ . 1 . 2]" 1
626 1 87 MET HA 1 88 LYS H . . 3.520 2.372 2.197 2.470 . 0 0 "[ . 1 . 2]" 1
627 1 73 VAL H 1 87 MET HA . . 3.900 2.654 2.324 3.016 . 0 0 "[ . 1 . 2]" 1
628 1 87 MET HB2 1 88 LYS H . . 4.320 3.407 3.239 3.703 . 0 0 "[ . 1 . 2]" 1
629 1 87 MET HG3 1 88 LYS H . . 5.300 4.611 4.447 4.784 . 0 0 "[ . 1 . 2]" 1
630 1 73 VAL H 1 87 MET HG3 . . 5.100 4.110 3.724 4.360 . 0 0 "[ . 1 . 2]" 1
631 1 9 THR HA 1 87 MET ME . . 5.500 4.564 4.346 4.963 . 0 0 "[ . 1 . 2]" 1
632 1 71 GLU HA 1 87 MET ME . . 5.320 3.785 3.528 4.067 . 0 0 "[ . 1 . 2]" 1
633 1 87 MET ME 1 89 SER HA . . 5.500 5.014 4.752 5.366 . 0 0 "[ . 1 . 2]" 1
634 1 70 ASN HA 1 87 MET ME . . 5.500 3.669 3.406 4.054 . 0 0 "[ . 1 . 2]" 1
635 1 71 GLU H 1 87 MET ME . . 4.640 3.148 2.829 3.506 . 0 0 "[ . 1 . 2]" 1
636 1 72 ILE H 1 87 MET ME . . 3.940 3.882 3.589 3.995 0.055 8 0 "[ . 1 . 2]" 1
637 1 73 VAL H 1 87 MET ME . . 5.500 5.076 4.783 5.364 . 0 0 "[ . 1 . 2]" 1
638 1 88 LYS HA 1 89 SER H . . 3.520 2.258 2.181 2.384 . 0 0 "[ . 1 . 2]" 1
639 1 66 CYS H 1 88 LYS HA . . 4.100 2.491 2.218 2.773 . 0 0 "[ . 1 . 2]" 1
640 1 88 LYS HB2 1 89 SER H . . 4.810 2.852 2.432 3.133 . 0 0 "[ . 1 . 2]" 1
641 1 67 GLY HA3 1 88 LYS HB3 . . 4.470 3.965 3.761 4.271 . 0 0 "[ . 1 . 2]" 1
642 1 66 CYS H 1 88 LYS HB3 . . 4.630 3.590 2.880 3.965 . 0 0 "[ . 1 . 2]" 1
643 1 88 LYS HG3 1 89 SER H . . 5.500 4.165 3.870 4.384 . 0 0 "[ . 1 . 2]" 1
644 1 88 LYS H 1 88 LYS HG3 . . 4.860 3.397 3.251 3.633 . 0 0 "[ . 1 . 2]" 1
645 1 88 LYS HG2 1 89 SER H . . 5.130 4.918 4.731 5.045 . 0 0 "[ . 1 . 2]" 1
646 1 88 LYS H 1 88 LYS HG2 . . 4.960 2.590 2.355 2.839 . 0 0 "[ . 1 . 2]" 1
647 1 70 ASN HA 1 90 PRO HD3 . . 5.500 4.374 3.951 4.668 . 0 0 "[ . 1 . 2]" 1
648 1 70 ASN H 1 90 PRO HD3 . . 5.500 3.958 3.348 4.385 . 0 0 "[ . 1 . 2]" 1
649 1 69 GLU H 1 90 PRO HD2 . . 4.480 4.501 4.433 4.537 0.057 9 0 "[ . 1 . 2]" 1
650 1 70 ASN H 1 90 PRO HD2 . . 5.070 3.544 2.951 3.985 . 0 0 "[ . 1 . 2]" 1
651 1 92 ALA H 1 93 CYS HB2 . . 5.500 4.252 3.595 4.719 . 0 0 "[ . 1 . 2]" 1
652 1 93 CYS HB3 1 94 SER H . . 5.500 3.587 2.755 4.380 . 0 0 "[ . 1 . 2]" 1
653 1 81 CYS HA 1 83 TYR QE . . 3.730 3.723 3.475 3.810 0.080 10 0 "[ . 1 . 2]" 1
654 1 24 GLU HA 1 36 PHE HB2 . . 5.490 3.613 2.956 4.423 . 0 0 "[ . 1 . 2]" 1
655 1 35 ASN HA 1 36 PHE HB2 . . 5.500 4.523 4.397 4.727 . 0 0 "[ . 1 . 2]" 1
656 1 23 TYR H 1 36 PHE HB2 . . 5.500 5.017 3.606 5.563 0.063 17 0 "[ . 1 . 2]" 1
657 1 6 GLY H 1 7 MET H . . 3.860 3.133 2.323 3.927 0.067 8 0 "[ . 1 . 2]" 1
658 1 9 THR H 1 20 VAL H . . 3.900 3.312 2.902 3.804 . 0 0 "[ . 1 . 2]" 1
659 1 9 THR H 1 21 VAL HA . . 4.830 4.083 3.244 4.876 0.046 16 0 "[ . 1 . 2]" 1
660 1 10 LYS H 1 71 GLU HA . . 5.500 5.191 4.543 5.564 0.064 20 0 "[ . 1 . 2]" 1
661 1 9 THR HA 1 10 LYS H . . 3.010 2.247 2.107 2.412 . 0 0 "[ . 1 . 2]" 1
662 1 11 ARG H 1 18 TYR H . . 3.770 3.007 2.851 3.158 . 0 0 "[ . 1 . 2]" 1
663 1 10 LYS HA 1 11 ARG H . . 3.020 2.170 2.069 2.265 . 0 0 "[ . 1 . 2]" 1
664 1 13 ILE H 1 18 TYR H . . 4.290 3.243 3.054 3.360 . 0 0 "[ . 1 . 2]" 1
665 1 12 GLU H 1 13 ILE H . . 4.500 4.255 4.184 4.342 . 0 0 "[ . 1 . 2]" 1
666 1 12 GLU HA 1 13 ILE H . . 2.820 2.070 1.947 2.287 . 0 0 "[ . 1 . 2]" 1
667 1 13 ILE H 1 17 THR HA . . 3.720 3.305 2.791 3.615 . 0 0 "[ . 1 . 2]" 1
668 1 13 ILE H 1 15 GLY H . . 4.800 4.268 3.991 4.854 0.054 11 0 "[ . 1 . 2]" 1
669 1 14 GLY H 1 15 GLY H . . 5.110 2.928 2.649 4.115 . 0 0 "[ . 1 . 2]" 1
670 1 15 GLY H 1 16 TYR H . . 3.690 2.474 1.799 2.703 . 0 0 "[ . 1 . 2]" 1
671 1 13 ILE HA 1 15 GLY H . . 5.200 3.844 3.539 5.047 . 0 0 "[ . 1 . 2]" 1
672 1 13 ILE H 1 16 TYR H . . 3.740 3.637 3.383 3.755 0.015 17 0 "[ . 1 . 2]" 1
673 1 14 GLY H 1 16 TYR H . . 5.210 4.370 4.241 4.692 . 0 0 "[ . 1 . 2]" 1
674 1 16 TYR H 1 16 TYR QD . . 4.130 3.028 2.659 3.211 . 0 0 "[ . 1 . 2]" 1
675 1 12 GLU HA 1 16 TYR H . . 5.240 4.577 4.282 4.829 . 0 0 "[ . 1 . 2]" 1
676 1 14 GLY HA3 1 16 TYR H . . 4.670 3.689 3.620 3.769 . 0 0 "[ . 1 . 2]" 1
677 1 16 TYR H 1 17 THR HA . . 5.500 4.904 4.594 5.084 . 0 0 "[ . 1 . 2]" 1
678 1 13 ILE HA 1 16 TYR H . . 5.500 4.730 4.537 4.869 . 0 0 "[ . 1 . 2]" 1
679 1 17 THR H 1 29 ASP H . . 4.030 2.962 2.550 3.426 . 0 0 "[ . 1 . 2]" 1
680 1 16 TYR H 1 17 THR H . . 4.850 4.395 4.249 4.483 . 0 0 "[ . 1 . 2]" 1
681 1 16 TYR QD 1 17 THR H . . 4.580 4.414 4.204 4.647 0.067 14 0 "[ . 1 . 2]" 1
682 1 12 GLU HA 1 17 THR H . . 5.070 4.423 3.904 4.658 . 0 0 "[ . 1 . 2]" 1
683 1 16 TYR HA 1 17 THR H . . 3.450 2.153 2.035 2.293 . 0 0 "[ . 1 . 2]" 1
684 1 18 TYR H 1 29 ASP H . . 5.280 4.684 4.528 4.889 . 0 0 "[ . 1 . 2]" 1
685 1 18 TYR H 1 18 TYR QD . . 3.750 2.557 2.403 3.012 . 0 0 "[ . 1 . 2]" 1
686 1 10 LYS HA 1 18 TYR H . . 4.970 4.712 4.524 4.975 0.005 3 0 "[ . 1 . 2]" 1
687 1 12 GLU HA 1 18 TYR H . . 3.760 2.726 2.399 3.347 . 0 0 "[ . 1 . 2]" 1
688 1 17 THR HA 1 18 TYR H . . 2.990 2.094 2.039 2.161 . 0 0 "[ . 1 . 2]" 1
689 1 17 THR HB 1 18 TYR H . . 4.780 4.269 4.193 4.341 . 0 0 "[ . 1 . 2]" 1
690 1 19 LYS H 1 27 PHE H . . 4.080 2.551 2.420 2.712 . 0 0 "[ . 1 . 2]" 1
691 1 19 LYS H 1 20 VAL H . . 4.680 4.231 4.164 4.286 . 0 0 "[ . 1 . 2]" 1
692 1 20 VAL H 1 21 VAL H . . 4.860 4.139 3.932 4.260 . 0 0 "[ . 1 . 2]" 1
693 1 21 VAL H 1 25 ASN H . . 4.720 3.346 3.022 3.809 . 0 0 "[ . 1 . 2]" 1
694 1 6 GLY H 1 24 GLU H . . 4.400 4.249 3.621 4.480 0.080 2 0 "[ . 1 . 2]" 1
695 1 21 VAL HA 1 24 GLU H . . 5.500 4.849 4.560 5.508 0.008 9 0 "[ . 1 . 2]" 1
696 1 25 ASN H 1 46 TYR QE . . 4.860 3.465 3.179 3.850 . 0 0 "[ . 1 . 2]" 1
697 1 26 VAL H 1 46 TYR QD . . 4.900 3.846 3.456 4.188 . 0 0 "[ . 1 . 2]" 1
698 1 26 VAL H 1 34 GLY H . . 4.720 3.178 3.017 3.378 . 0 0 "[ . 1 . 2]" 1
699 1 29 ASP H 1 30 SER H . . 5.200 3.939 3.813 4.198 . 0 0 "[ . 1 . 2]" 1
700 1 17 THR HA 1 29 ASP H . . 5.210 4.394 4.132 4.651 . 0 0 "[ . 1 . 2]" 1
701 1 30 SER H 1 31 ILE H . . 3.520 1.753 1.627 2.072 . 0 0 "[ . 1 . 2]" 1
702 1 30 SER H 1 30 SER QB . . 3.790 2.666 2.516 3.085 . 0 0 "[ . 1 . 2]" 1
703 1 28 GLN H 1 33 LEU H . . 3.900 3.837 3.577 3.937 0.037 14 0 "[ . 1 . 2]" 1
704 1 27 PHE QD 1 33 LEU H . . 5.480 4.139 3.829 4.414 . 0 0 "[ . 1 . 2]" 1
705 1 27 PHE HA 1 33 LEU H . . 3.850 2.446 2.328 2.599 . 0 0 "[ . 1 . 2]" 1
706 1 35 ASN H 1 47 GLU H . . 3.730 2.335 2.159 2.671 . 0 0 "[ . 1 . 2]" 1
707 1 35 ASN H 1 36 PHE H . . 5.260 4.338 4.237 4.456 . 0 0 "[ . 1 . 2]" 1
708 1 35 ASN H 1 35 ASN HD21 . . 5.260 3.158 2.772 4.418 . 0 0 "[ . 1 . 2]" 1
709 1 35 ASN H 1 35 ASN HD22 . . 5.500 4.526 4.235 5.395 . 0 0 "[ . 1 . 2]" 1
710 1 25 ASN HD21 1 36 PHE H . . 5.500 4.337 4.087 4.673 . 0 0 "[ . 1 . 2]" 1
711 1 36 PHE H 1 46 TYR QD . . 4.530 2.565 2.289 2.786 . 0 0 "[ . 1 . 2]" 1
712 1 25 ASN HD22 1 36 PHE H . . 5.500 5.626 5.524 5.730 0.230 9 0 "[ . 1 . 2]" 1
713 1 35 ASN HD22 1 36 PHE H . . 5.500 5.654 5.409 5.748 0.248 1 0 "[ . 1 . 2]" 1
714 1 36 PHE H 1 46 TYR QE . . 4.800 3.894 3.386 4.351 . 0 0 "[ . 1 . 2]" 1
715 1 25 ASN HA 1 36 PHE H . . 4.360 3.322 2.908 3.985 . 0 0 "[ . 1 . 2]" 1
716 1 24 GLU HA 1 36 PHE H . . 5.210 4.300 3.971 4.718 . 0 0 "[ . 1 . 2]" 1
717 1 37 ALA H 1 38 SER H . . 3.520 2.173 2.037 2.326 . 0 0 "[ . 1 . 2]" 1
718 1 37 ALA H 1 46 TYR HA . . 5.500 2.855 2.652 3.042 . 0 0 "[ . 1 . 2]" 1
719 1 36 PHE QD 1 38 SER H . . 5.500 4.372 4.020 4.684 . 0 0 "[ . 1 . 2]" 1
720 1 38 SER H 1 39 GLN H . . 5.150 4.297 4.216 4.380 . 0 0 "[ . 1 . 2]" 1
721 1 38 SER H 1 45 LYS H . . 4.370 3.364 2.836 3.696 . 0 0 "[ . 1 . 2]" 1
722 1 39 GLN H 1 45 LYS H . . 5.450 4.956 4.735 5.182 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLU H 1 43 VAL H . . 4.900 3.595 3.304 4.025 . 0 0 "[ . 1 . 2]" 1
724 1 42 ASN H 1 43 VAL H . . 3.720 2.243 2.147 2.365 . 0 0 "[ . 1 . 2]" 1
725 1 41 GLY HA3 1 42 ASN H . . 3.310 2.141 2.084 2.227 . 0 0 "[ . 1 . 2]" 1
726 1 42 ASN HD21 1 64 VAL H . . 5.500 4.753 3.801 5.611 0.111 2 0 "[ . 1 . 2]" 1
727 1 42 ASN HD21 1 93 CYS HA . . 5.210 4.758 3.382 5.284 0.074 17 0 "[ . 1 . 2]" 1
728 1 42 ASN HD22 1 93 CYS HA . . 5.210 4.819 4.028 5.256 0.046 15 0 "[ . 1 . 2]" 1
729 1 45 LYS H 1 46 TYR H . . 5.240 4.401 4.330 4.451 . 0 0 "[ . 1 . 2]" 1
730 1 46 TYR H 1 62 VAL H . . 5.450 4.490 4.290 4.764 . 0 0 "[ . 1 . 2]" 1
731 1 46 TYR H 1 46 TYR QE . . 5.390 4.602 4.431 4.752 . 0 0 "[ . 1 . 2]" 1
732 1 46 TYR H 1 59 SER HA . . 4.960 5.019 4.708 5.089 0.129 11 0 "[ . 1 . 2]" 1
733 1 76 LEU HA 1 84 LEU H . . 4.810 4.629 4.482 4.731 . 0 0 "[ . 1 . 2]" 1
734 1 36 PHE H 1 47 GLU H . . 5.050 4.909 4.767 5.063 0.013 10 0 "[ . 1 . 2]" 1
735 1 37 ALA H 1 47 GLU H . . 4.950 3.742 3.448 3.993 . 0 0 "[ . 1 . 2]" 1
736 1 38 SER H 1 47 GLU H . . 5.500 5.253 4.721 5.541 0.041 18 0 "[ . 1 . 2]" 1
737 1 35 ASN HA 1 47 GLU H . . 5.500 4.443 4.292 4.636 . 0 0 "[ . 1 . 2]" 1
738 1 46 TYR HA 1 47 GLU H . . 3.530 2.202 2.094 2.293 . 0 0 "[ . 1 . 2]" 1
739 1 37 ALA HA 1 47 GLU H . . 5.480 4.907 4.493 5.365 . 0 0 "[ . 1 . 2]" 1
740 1 47 GLU H 1 59 SER QB . . 5.500 5.001 4.401 5.580 0.080 4 0 "[ . 1 . 2]" 1
741 1 47 GLU H 1 48 ASN H . . 5.240 4.435 4.326 4.520 . 0 0 "[ . 1 . 2]" 1
742 1 48 ASN H 1 58 ARG H . . 5.500 5.274 4.674 5.601 0.101 19 0 "[ . 1 . 2]" 1
743 1 47 GLU HA 1 48 ASN H . . 3.570 2.464 2.258 2.665 . 0 0 "[ . 1 . 2]" 1
744 1 48 ASN H 1 49 GLY H . . 3.950 2.680 2.458 2.909 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLU HA 1 49 GLY H . . 4.800 3.712 3.177 4.191 . 0 0 "[ . 1 . 2]" 1
746 1 49 GLY H 1 57 HIS HA . . 5.090 4.923 4.399 5.182 0.092 18 0 "[ . 1 . 2]" 1
747 1 49 GLY H 1 50 GLN H . . 4.590 4.055 3.828 4.442 . 0 0 "[ . 1 . 2]" 1
748 1 50 GLN HA 1 50 GLN HE21 . . 5.500 4.607 3.873 5.047 . 0 0 "[ . 1 . 2]" 1
749 1 32 LEU H 1 50 GLN HE21 . . 5.500 4.124 3.146 4.656 . 0 0 "[ . 1 . 2]" 1
750 1 50 GLN HE22 1 51 SER H . . 5.500 4.678 4.050 5.639 0.139 4 0 "[ . 1 . 2]" 1
751 1 31 ILE HA 1 50 GLN HE22 . . 5.500 5.140 3.557 5.562 0.062 7 0 "[ . 1 . 2]" 1
752 1 52 CYS H 1 58 ARG H . . 5.110 3.821 3.016 4.513 . 0 0 "[ . 1 . 2]" 1
753 1 54 ASN H 1 55 GLY H . . 4.280 2.748 1.760 3.938 . 0 0 "[ . 1 . 2]" 1
754 1 52 CYS H 1 55 GLY H . . 4.540 4.505 4.184 4.639 0.099 4 0 "[ . 1 . 2]" 1
755 1 57 HIS H 1 57 HIS HD2 . . 4.330 2.657 1.799 4.129 . 0 0 "[ . 1 . 2]" 1
756 1 56 PRO HA 1 57 HIS H . . 3.410 2.592 2.085 3.494 0.084 2 0 "[ . 1 . 2]" 1
757 1 57 HIS H 1 58 ARG H . . 5.500 4.251 2.127 4.665 . 0 0 "[ . 1 . 2]" 1
758 1 49 GLY H 1 58 ARG H . . 4.790 3.838 3.220 4.860 0.070 20 0 "[ . 1 . 2]" 1
759 1 59 SER H 1 60 ALA H . . 5.250 4.303 4.150 4.350 . 0 0 "[ . 1 . 2]" 1
760 1 58 ARG H 1 59 SER H . . 5.110 4.534 4.239 4.628 . 0 0 "[ . 1 . 2]" 1
761 1 59 SER H 1 83 TYR QE . . 4.780 3.899 3.364 4.460 . 0 0 "[ . 1 . 2]" 1
762 1 58 ARG HA 1 59 SER H . . 3.150 2.349 2.238 2.585 . 0 0 "[ . 1 . 2]" 1
763 1 59 SER H 1 81 CYS HA . . 5.500 4.840 4.584 5.087 . 0 0 "[ . 1 . 2]" 1
764 1 61 ILE H 1 83 TYR H . . 4.830 3.793 3.566 3.956 . 0 0 "[ . 1 . 2]" 1
765 1 60 ALA HA 1 61 ILE H . . 3.270 2.164 2.099 2.219 . 0 0 "[ . 1 . 2]" 1
766 1 61 ILE H 1 62 VAL H . . 5.250 4.211 4.089 4.357 . 0 0 "[ . 1 . 2]" 1
767 1 46 TYR QE 1 62 VAL H . . 5.320 3.383 2.744 3.845 . 0 0 "[ . 1 . 2]" 1
768 1 62 VAL H 1 63 THR H . . 5.220 4.296 4.217 4.405 . 0 0 "[ . 1 . 2]" 1
769 1 63 THR H 1 64 VAL H . . 5.050 4.255 4.167 4.343 . 0 0 "[ . 1 . 2]" 1
770 1 42 ASN HD22 1 64 VAL H . . 5.500 4.524 3.737 5.229 . 0 0 "[ . 1 . 2]" 1
771 1 63 THR HB 1 64 VAL H . . 5.110 4.278 4.215 4.353 . 0 0 "[ . 1 . 2]" 1
772 1 65 GLU H 1 66 CYS H . . 4.200 2.232 2.030 2.501 . 0 0 "[ . 1 . 2]" 1
773 1 65 GLU H 1 88 LYS HA . . 3.980 2.768 2.425 3.031 . 0 0 "[ . 1 . 2]" 1
774 1 66 CYS H 1 89 SER H . . 5.290 3.144 2.908 3.377 . 0 0 "[ . 1 . 2]" 1
775 1 66 CYS H 1 67 GLY H . . 5.090 4.290 4.085 4.446 . 0 0 "[ . 1 . 2]" 1
776 1 67 GLY H 1 93 CYS H . . 4.870 4.614 4.379 4.890 0.020 17 0 "[ . 1 . 2]" 1
777 1 67 GLY H 1 68 VAL H . . 4.810 4.229 4.190 4.287 . 0 0 "[ . 1 . 2]" 1
778 1 67 GLY H 1 89 SER H . . 3.910 2.612 2.405 2.804 . 0 0 "[ . 1 . 2]" 1
779 1 67 GLY H 1 88 LYS HA . . 5.400 4.336 4.000 4.767 . 0 0 "[ . 1 . 2]" 1
780 1 67 GLY H 1 90 PRO HA . . 3.910 3.061 2.739 3.501 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLY H 1 89 SER HA . . 5.450 3.654 3.376 3.885 . 0 0 "[ . 1 . 2]" 1
782 1 68 VAL H 1 69 GLU H . . 3.150 2.136 1.927 2.321 . 0 0 "[ . 1 . 2]" 1
783 1 69 GLU H 1 70 ASN H . . 4.510 4.325 4.239 4.386 . 0 0 "[ . 1 . 2]" 1
784 1 67 GLY HA3 1 69 GLU H . . 4.420 3.309 2.996 3.616 . 0 0 "[ . 1 . 2]" 1
785 1 70 ASN H 1 70 ASN HD21 . . 4.890 2.430 1.749 3.576 . 0 0 "[ . 1 . 2]" 1
786 1 69 GLU HA 1 70 ASN HD21 . . 5.500 4.152 3.165 5.693 0.193 2 0 "[ . 1 . 2]" 1
787 1 71 GLU H 1 88 LYS H . . 3.700 2.873 2.618 3.249 . 0 0 "[ . 1 . 2]" 1
788 1 70 ASN HA 1 71 GLU H . . 3.040 2.122 2.062 2.203 . 0 0 "[ . 1 . 2]" 1
789 1 71 GLU H 1 89 SER QB . . 5.260 3.970 3.312 5.173 . 0 0 "[ . 1 . 2]" 1
790 1 71 GLU H 1 72 ILE H . . 4.500 4.168 4.057 4.234 . 0 0 "[ . 1 . 2]" 1
791 1 71 GLU HA 1 72 ILE H . . 3.210 2.158 2.070 2.218 . 0 0 "[ . 1 . 2]" 1
792 1 73 VAL H 1 74 SER H . . 3.320 2.575 2.366 2.730 . 0 0 "[ . 1 . 2]" 1
793 1 73 VAL H 1 74 SER HA . . 5.250 4.904 4.797 5.007 . 0 0 "[ . 1 . 2]" 1
794 1 72 ILE HA 1 73 VAL H . . 3.330 2.112 2.063 2.160 . 0 0 "[ . 1 . 2]" 1
795 1 74 SER H 1 86 LYS HA . . 5.500 4.725 4.496 4.965 . 0 0 "[ . 1 . 2]" 1
796 1 74 SER H 1 75 VAL H . . 5.230 4.306 4.235 4.363 . 0 0 "[ . 1 . 2]" 1
797 1 74 SER HA 1 75 VAL H . . 3.280 2.349 2.253 2.445 . 0 0 "[ . 1 . 2]" 1
798 1 76 LEU H 1 85 ILE H . . 5.300 4.929 4.818 5.046 . 0 0 "[ . 1 . 2]" 1
799 1 76 LEU H 1 84 LEU H . . 3.840 2.907 2.687 3.029 . 0 0 "[ . 1 . 2]" 1
800 1 76 LEU H 1 77 GLU H . . 5.110 4.275 4.152 4.377 . 0 0 "[ . 1 . 2]" 1
801 1 75 VAL H 1 76 LEU H . . 5.500 4.156 3.994 4.270 . 0 0 "[ . 1 . 2]" 1
802 1 76 LEU H 1 85 ILE HA . . 4.220 3.906 3.709 4.064 . 0 0 "[ . 1 . 2]" 1
803 1 75 VAL HA 1 76 LEU H . . 3.070 2.170 2.111 2.250 . 0 0 "[ . 1 . 2]" 1
804 1 77 GLU H 1 78 ALA H . . 4.900 4.086 3.689 4.581 . 0 0 "[ . 1 . 2]" 1
805 1 77 GLU H 1 83 TYR QE . . 5.500 4.382 3.770 4.779 . 0 0 "[ . 1 . 2]" 1
806 1 78 ALA H 1 82 GLU H . . 5.350 4.825 3.843 5.357 0.007 9 0 "[ . 1 . 2]" 1
807 1 79 GLN H 1 82 GLU H . . 4.600 3.574 3.322 3.874 . 0 0 "[ . 1 . 2]" 1
808 1 79 GLN H 1 80 LYS H . . 4.640 4.251 2.884 4.463 . 0 0 "[ . 1 . 2]" 1
809 1 80 LYS H 1 81 CYS H . . 4.570 4.019 3.023 4.218 . 0 0 "[ . 1 . 2]" 1
810 1 80 LYS H 1 82 GLU H . . 4.850 3.904 2.592 4.244 . 0 0 "[ . 1 . 2]" 1
811 1 81 CYS H 1 82 GLU H . . 3.780 2.621 2.404 2.760 . 0 0 "[ . 1 . 2]" 1
812 1 77 GLU HA 1 82 GLU H . . 4.960 4.483 4.201 4.819 . 0 0 "[ . 1 . 2]" 1
813 1 60 ALA H 1 83 TYR H . . 5.500 4.349 4.175 4.499 . 0 0 "[ . 1 . 2]" 1
814 1 59 SER H 1 83 TYR H . . 4.620 3.642 3.426 3.919 . 0 0 "[ . 1 . 2]" 1
815 1 82 GLU H 1 83 TYR H . . 5.500 4.226 4.097 4.295 . 0 0 "[ . 1 . 2]" 1
816 1 83 TYR H 1 84 LEU H . . 5.090 4.348 4.227 4.431 . 0 0 "[ . 1 . 2]" 1
817 1 78 ALA H 1 84 LEU H . . 4.630 3.566 3.292 4.407 . 0 0 "[ . 1 . 2]" 1
818 1 45 LYS HA 1 46 TYR H . . 3.170 2.160 2.100 2.223 . 0 0 "[ . 1 . 2]" 1
819 1 75 VAL HA 1 84 LEU H . . 5.100 4.567 4.329 4.775 . 0 0 "[ . 1 . 2]" 1
820 1 76 LEU H 1 86 LYS H . . 5.270 4.980 4.753 5.242 . 0 0 "[ . 1 . 2]" 1
821 1 73 VAL H 1 86 LYS H . . 4.470 4.237 3.979 4.461 . 0 0 "[ . 1 . 2]" 1
822 1 74 SER H 1 86 LYS H . . 3.770 3.049 2.794 3.283 . 0 0 "[ . 1 . 2]" 1
823 1 85 ILE HA 1 86 LYS H . . 3.290 2.127 2.087 2.166 . 0 0 "[ . 1 . 2]" 1
824 1 75 VAL HA 1 86 LYS H . . 4.180 3.299 3.068 3.586 . 0 0 "[ . 1 . 2]" 1
825 1 63 THR HB 1 86 LYS H . . 5.500 5.246 4.967 5.524 0.024 18 0 "[ . 1 . 2]" 1
826 1 63 THR H 1 87 MET H . . 4.380 3.932 3.702 4.120 . 0 0 "[ . 1 . 2]" 1
827 1 65 GLU H 1 87 MET H . . 5.120 3.888 3.501 4.361 . 0 0 "[ . 1 . 2]" 1
828 1 64 VAL HA 1 87 MET H . . 4.240 2.777 2.409 3.237 . 0 0 "[ . 1 . 2]" 1
829 1 65 GLU H 1 88 LYS H . . 5.500 4.749 4.497 5.071 . 0 0 "[ . 1 . 2]" 1
830 1 88 LYS H 1 89 SER H . . 5.380 4.197 4.094 4.260 . 0 0 "[ . 1 . 2]" 1
831 1 70 ASN HA 1 88 LYS H . . 5.350 3.993 3.612 4.490 . 0 0 "[ . 1 . 2]" 1
832 1 72 ILE HA 1 88 LYS H . . 4.950 4.236 3.737 4.848 . 0 0 "[ . 1 . 2]" 1
833 1 89 SER H 1 90 PRO HA . . 5.500 4.686 4.559 4.795 . 0 0 "[ . 1 . 2]" 1
834 1 66 CYS HA 1 89 SER H . . 4.590 1.973 1.772 2.298 . 0 0 "[ . 1 . 2]" 1
835 1 92 ALA H 1 93 CYS H . . 3.380 2.265 1.846 2.573 . 0 0 "[ . 1 . 2]" 1
836 1 91 ALA H 1 92 ALA H . . 3.730 2.547 2.461 2.677 . 0 0 "[ . 1 . 2]" 1
837 1 89 SER H 1 92 ALA H . . 5.040 4.074 3.670 4.317 . 0 0 "[ . 1 . 2]" 1
838 1 90 PRO HA 1 92 ALA H . . 4.660 3.840 3.531 4.298 . 0 0 "[ . 1 . 2]" 1
839 1 92 ALA H 1 93 CYS HA . . 5.280 4.809 4.309 5.140 . 0 0 "[ . 1 . 2]" 1
840 1 89 SER QB 1 92 ALA H . . 4.660 3.285 2.748 3.630 . 0 0 "[ . 1 . 2]" 1
841 1 91 ALA H 1 93 CYS H . . 5.500 4.104 3.611 4.458 . 0 0 "[ . 1 . 2]" 1
842 1 93 CYS H 1 94 SER H . . 4.970 3.461 2.348 4.544 . 0 0 "[ . 1 . 2]" 1
843 1 90 PRO HA 1 93 CYS H . . 4.840 3.573 3.293 3.925 . 0 0 "[ . 1 . 2]" 1
844 1 66 CYS HA 1 93 CYS H . . 4.160 4.187 4.098 4.236 0.076 9 0 "[ . 1 . 2]" 1
845 1 89 SER QB 1 93 CYS H . . 5.500 5.144 4.336 5.576 0.076 12 0 "[ . 1 . 2]" 1
846 1 93 CYS HA 1 94 SER H . . 3.510 2.740 2.057 3.511 0.001 19 0 "[ . 1 . 2]" 1
847 1 6 GLY H 1 22 PHE HB2 . . 5.500 4.421 3.126 5.591 0.091 11 0 "[ . 1 . 2]" 1
848 1 6 GLY H 1 23 TYR QB . . 4.860 3.476 2.730 4.740 . 0 0 "[ . 1 . 2]" 1
849 1 6 GLY H 1 22 PHE HB3 . . 5.500 4.120 3.191 5.008 . 0 0 "[ . 1 . 2]" 1
850 1 9 THR H 1 20 VAL HA . . 5.500 5.090 4.680 5.651 0.151 2 0 "[ . 1 . 2]" 1
851 1 9 THR H 1 87 MET ME . . 4.880 4.107 3.665 4.363 . 0 0 "[ . 1 . 2]" 1
852 1 9 THR H 1 72 ILE MD . . 5.160 4.569 4.053 4.975 . 0 0 "[ . 1 . 2]" 1
853 1 9 THR HB 1 10 LYS H . . 4.750 3.924 3.708 4.084 . 0 0 "[ . 1 . 2]" 1
854 1 11 ARG H 1 18 TYR HB2 . . 5.160 3.222 3.060 3.372 . 0 0 "[ . 1 . 2]" 1
855 1 11 ARG H 1 11 ARG HB3 . . 3.560 2.946 2.781 3.076 . 0 0 "[ . 1 . 2]" 1
856 1 11 ARG H 1 11 ARG HG3 . . 4.850 4.630 4.508 4.796 . 0 0 "[ . 1 . 2]" 1
857 1 11 ARG HD2 1 12 GLU H . . 5.010 3.689 3.124 5.026 0.016 16 0 "[ . 1 . 2]" 1
858 1 11 ARG HD3 1 12 GLU H . . 5.430 4.802 4.525 5.204 . 0 0 "[ . 1 . 2]" 1
859 1 12 GLU H 1 12 GLU HB3 . . 3.390 2.919 2.421 3.505 0.115 17 0 "[ . 1 . 2]" 1
860 1 12 GLU H 1 13 ILE MD . . 4.760 3.669 3.383 4.849 0.089 3 0 "[ . 1 . 2]" 1
861 1 13 ILE H 1 18 TYR HB3 . . 5.500 5.602 5.565 5.693 0.193 7 0 "[ . 1 . 2]" 1
862 1 13 ILE H 1 18 TYR HB2 . . 4.870 4.027 3.837 4.086 . 0 0 "[ . 1 . 2]" 1
863 1 13 ILE H 1 13 ILE HB . . 3.500 2.604 2.436 2.718 . 0 0 "[ . 1 . 2]" 1
864 1 17 THR H 1 29 ASP HB3 . . 5.450 4.092 3.776 4.457 . 0 0 "[ . 1 . 2]" 1
865 1 17 THR H 1 29 ASP HB2 . . 5.390 2.613 2.178 3.420 . 0 0 "[ . 1 . 2]" 1
866 1 17 THR H 1 28 GLN HB3 . . 5.210 5.287 4.811 5.353 0.143 9 0 "[ . 1 . 2]" 1
867 1 18 TYR H 1 18 TYR HB3 . . 3.600 3.490 3.311 3.535 . 0 0 "[ . 1 . 2]" 1
868 1 11 ARG HB2 1 18 TYR H . . 5.340 5.303 5.108 5.415 0.075 16 0 "[ . 1 . 2]" 1
869 1 13 ILE HB 1 18 TYR H . . 4.920 4.735 4.249 4.936 0.016 13 0 "[ . 1 . 2]" 1
870 1 11 ARG HB3 1 18 TYR H . . 4.760 4.112 3.968 4.319 . 0 0 "[ . 1 . 2]" 1
871 1 17 THR MG 1 18 TYR H . . 3.610 2.978 2.783 3.129 . 0 0 "[ . 1 . 2]" 1
872 1 13 ILE MD 1 18 TYR H . . 4.550 3.404 3.009 3.909 . 0 0 "[ . 1 . 2]" 1
873 1 18 TYR HB3 1 19 LYS H . . 4.750 3.341 3.207 3.460 . 0 0 "[ . 1 . 2]" 1
874 1 19 LYS H 1 19 LYS QE . . 4.490 4.416 4.064 4.511 0.021 13 0 "[ . 1 . 2]" 1
875 1 9 THR HB 1 20 VAL H . . 4.620 3.492 3.170 3.916 . 0 0 "[ . 1 . 2]" 1
876 1 19 LYS QE 1 20 VAL H . . 5.460 5.372 5.060 5.553 0.093 18 0 "[ . 1 . 2]" 1
877 1 20 VAL H 1 20 VAL HB . . 3.560 2.624 2.544 2.717 . 0 0 "[ . 1 . 2]" 1
878 1 20 VAL H 1 20 VAL MG2 . . 3.710 2.629 2.461 2.742 . 0 0 "[ . 1 . 2]" 1
879 1 20 VAL H 1 20 VAL MG1 . . 4.460 3.844 3.807 3.885 . 0 0 "[ . 1 . 2]" 1
880 1 21 VAL H 1 21 VAL HB . . 4.050 2.562 2.459 2.666 . 0 0 "[ . 1 . 2]" 1
881 1 21 VAL H 1 24 GLU HB2 . . 5.060 4.376 4.214 4.569 . 0 0 "[ . 1 . 2]" 1
882 1 21 VAL H 1 21 VAL MG2 . . 3.940 2.185 2.044 2.356 . 0 0 "[ . 1 . 2]" 1
883 1 21 VAL H 1 21 VAL MG1 . . 4.480 3.779 3.721 3.831 . 0 0 "[ . 1 . 2]" 1
884 1 20 VAL MG2 1 21 VAL H . . 4.500 4.188 4.062 4.267 . 0 0 "[ . 1 . 2]" 1
885 1 20 VAL MG1 1 21 VAL H . . 4.030 3.137 2.982 3.281 . 0 0 "[ . 1 . 2]" 1
886 1 20 VAL HA 1 22 PHE H . . 5.500 3.609 3.078 5.236 . 0 0 "[ . 1 . 2]" 1
887 1 21 VAL MG2 1 22 PHE H . . 5.270 3.932 3.723 4.310 . 0 0 "[ . 1 . 2]" 1
888 1 21 VAL MG1 1 22 PHE H . . 4.950 3.785 2.938 4.090 . 0 0 "[ . 1 . 2]" 1
889 1 24 GLU H 1 36 PHE HB2 . . 4.740 4.180 3.496 4.772 0.032 13 0 "[ . 1 . 2]" 1
890 1 22 PHE HB3 1 24 GLU H . . 5.380 4.648 4.211 5.265 . 0 0 "[ . 1 . 2]" 1
891 1 21 VAL MG1 1 24 GLU H . . 4.780 2.903 2.477 3.396 . 0 0 "[ . 1 . 2]" 1
892 1 24 GLU HB3 1 25 ASN H . . 4.120 2.760 2.349 3.004 . 0 0 "[ . 1 . 2]" 1
893 1 21 VAL MG1 1 25 ASN H . . 4.450 3.537 3.334 3.801 . 0 0 "[ . 1 . 2]" 1
894 1 25 ASN H 1 32 LEU QD . . 5.500 5.232 4.994 5.520 0.020 10 0 "[ . 1 . 2]" 1
895 1 24 GLU HB3 1 25 ASN HD21 . . 5.270 3.656 1.789 5.307 0.037 17 0 "[ . 1 . 2]" 1
896 1 24 GLU HB3 1 25 ASN HD22 . . 5.270 3.403 2.630 4.656 . 0 0 "[ . 1 . 2]" 1
897 1 25 ASN HD22 1 32 LEU QD . . 5.150 3.366 2.530 4.125 . 0 0 "[ . 1 . 2]" 1
898 1 26 VAL H 1 34 GLY HA3 . . 5.500 4.967 4.777 5.256 . 0 0 "[ . 1 . 2]" 1
899 1 25 ASN HB3 1 26 VAL H . . 4.680 3.425 3.323 3.594 . 0 0 "[ . 1 . 2]" 1
900 1 26 VAL H 1 60 ALA MB . . 4.100 4.125 3.790 4.207 0.107 10 0 "[ . 1 . 2]" 1
901 1 26 VAL H 1 26 VAL MG2 . . 4.510 2.809 2.692 2.913 . 0 0 "[ . 1 . 2]" 1
902 1 27 PHE H 1 27 PHE HB2 . . 4.100 2.671 2.611 2.720 . 0 0 "[ . 1 . 2]" 1
903 1 19 LYS H 1 72 ILE MD . . 5.360 4.422 4.201 4.639 . 0 0 "[ . 1 . 2]" 1
904 1 16 TYR HB3 1 29 ASP H . . 5.500 5.057 4.592 5.477 . 0 0 "[ . 1 . 2]" 1
905 1 28 GLN HB2 1 29 ASP H . . 4.980 3.745 3.615 4.232 . 0 0 "[ . 1 . 2]" 1
906 1 28 GLN HB3 1 29 ASP H . . 4.330 4.222 3.749 4.335 0.005 18 0 "[ . 1 . 2]" 1
907 1 17 THR MG 1 29 ASP H . . 4.360 3.922 3.773 4.071 . 0 0 "[ . 1 . 2]" 1
908 1 29 ASP HB3 1 30 SER H . . 3.480 1.924 1.769 2.570 . 0 0 "[ . 1 . 2]" 1
909 1 29 ASP HB2 1 31 ILE H . . 4.590 4.514 3.701 4.687 0.097 16 0 "[ . 1 . 2]" 1
910 1 31 ILE H 1 31 ILE HB . . 3.280 2.489 2.330 2.616 . 0 0 "[ . 1 . 2]" 1
911 1 28 GLN HB2 1 31 ILE H . . 4.870 4.533 3.425 4.726 . 0 0 "[ . 1 . 2]" 1
912 1 9 THR MG 1 10 LYS H . . 3.880 2.446 2.206 2.791 . 0 0 "[ . 1 . 2]" 1
913 1 31 ILE H 1 31 ILE MG . . 4.120 3.784 3.714 3.851 . 0 0 "[ . 1 . 2]" 1
914 1 32 LEU H 1 50 GLN HB2 . . 4.700 3.076 2.284 3.760 . 0 0 "[ . 1 . 2]" 1
915 1 32 LEU H 1 32 LEU HB2 . . 4.100 2.687 2.545 2.781 . 0 0 "[ . 1 . 2]" 1
916 1 27 PHE HB3 1 33 LEU H . . 5.150 4.690 4.463 4.929 . 0 0 "[ . 1 . 2]" 1
917 1 27 PHE HB2 1 33 LEU H . . 5.500 5.425 5.321 5.522 0.022 20 0 "[ . 1 . 2]" 1
918 1 32 LEU HB3 1 33 LEU H . . 5.320 4.382 4.271 4.497 . 0 0 "[ . 1 . 2]" 1
919 1 32 LEU HB2 1 33 LEU H . . 4.950 4.237 4.096 4.378 . 0 0 "[ . 1 . 2]" 1
920 1 33 LEU H 1 33 LEU HG . . 3.990 2.449 2.229 3.706 . 0 0 "[ . 1 . 2]" 1
921 1 32 LEU QD 1 33 LEU H . . 3.900 2.386 2.083 2.699 . 0 0 "[ . 1 . 2]" 1
922 1 33 LEU H 1 33 LEU QD . . 4.200 3.009 2.014 3.196 . 0 0 "[ . 1 . 2]" 1
923 1 35 ASN H 1 46 TYR HB3 . . 4.910 2.874 2.480 3.217 . 0 0 "[ . 1 . 2]" 1
924 1 35 ASN H 1 37 ALA MB . . 5.180 4.565 4.334 4.860 . 0 0 "[ . 1 . 2]" 1
925 1 32 LEU QD 1 35 ASN H . . 5.390 4.215 3.851 4.450 . 0 0 "[ . 1 . 2]" 1
926 1 32 LEU QD 1 35 ASN HD21 . . 5.500 2.754 2.075 3.061 . 0 0 "[ . 1 . 2]" 1
927 1 32 LEU HG 1 35 ASN HD22 . . 3.970 3.485 2.938 4.013 0.043 6 0 "[ . 1 . 2]" 1
928 1 32 LEU QD 1 35 ASN HD22 . . 5.390 1.651 1.588 1.768 . 0 0 "[ . 1 . 2]" 1
929 1 35 ASN HB3 1 36 PHE H . . 4.210 2.552 2.358 3.099 . 0 0 "[ . 1 . 2]" 1
930 1 35 ASN HB2 1 36 PHE H . . 4.990 3.782 3.579 4.242 . 0 0 "[ . 1 . 2]" 1
931 1 36 PHE H 1 36 PHE HB3 . . 3.940 2.619 2.515 2.786 . 0 0 "[ . 1 . 2]" 1
932 1 36 PHE H 1 36 PHE HB2 . . 4.040 2.649 2.563 2.779 . 0 0 "[ . 1 . 2]" 1
933 1 36 PHE HB3 1 37 ALA H . . 5.470 4.295 4.208 4.392 . 0 0 "[ . 1 . 2]" 1
934 1 39 GLN QG 1 40 GLU H . . 4.570 3.595 2.722 4.583 0.013 8 0 "[ . 1 . 2]" 1
935 1 42 ASN H 1 43 VAL HB . . 5.150 4.231 3.956 4.362 . 0 0 "[ . 1 . 2]" 1
936 1 42 ASN H 1 43 VAL MG2 . . 4.430 3.107 2.713 3.391 . 0 0 "[ . 1 . 2]" 1
937 1 42 ASN HD21 1 92 ALA MB . . 4.580 3.277 1.908 4.646 0.066 17 0 "[ . 1 . 2]" 1
938 1 42 ASN HD22 1 92 ALA MB . . 4.580 2.808 1.700 4.648 0.068 10 0 "[ . 1 . 2]" 1
939 1 41 GLY HA2 1 43 VAL H . . 5.260 4.387 4.223 4.658 . 0 0 "[ . 1 . 2]" 1
940 1 43 VAL H 1 43 VAL HB . . 3.470 2.529 2.420 2.662 . 0 0 "[ . 1 . 2]" 1
941 1 43 VAL H 1 43 VAL MG2 . . 3.730 2.557 2.363 2.704 . 0 0 "[ . 1 . 2]" 1
942 1 43 VAL H 1 43 VAL MG1 . . 4.530 3.791 3.741 3.850 . 0 0 "[ . 1 . 2]" 1
943 1 43 VAL MG1 1 44 LEU H . . 4.250 2.591 2.410 2.747 . 0 0 "[ . 1 . 2]" 1
944 1 45 LYS H 1 45 LYS HG3 . . 5.330 4.564 4.216 4.911 . 0 0 "[ . 1 . 2]" 1
945 1 45 LYS H 1 45 LYS HG2 . . 5.330 4.574 3.947 4.880 . 0 0 "[ . 1 . 2]" 1
946 1 43 VAL MG1 1 45 LYS H . . 5.250 4.348 4.029 4.636 . 0 0 "[ . 1 . 2]" 1
947 1 46 TYR H 1 60 ALA MB . . 4.870 3.584 3.477 3.682 . 0 0 "[ . 1 . 2]" 1
948 1 46 TYR H 1 85 ILE MD . . 5.500 5.507 5.372 5.560 0.060 18 0 "[ . 1 . 2]" 1
949 1 35 ASN HB3 1 47 GLU H . . 5.150 4.809 4.421 5.109 . 0 0 "[ . 1 . 2]" 1
950 1 35 ASN HB2 1 47 GLU H . . 5.040 3.896 3.483 4.157 . 0 0 "[ . 1 . 2]" 1
951 1 47 GLU H 1 47 GLU HG3 . . 4.970 3.829 3.018 4.898 . 0 0 "[ . 1 . 2]" 1
952 1 37 ALA MB 1 47 GLU H . . 4.030 2.825 2.327 3.210 . 0 0 "[ . 1 . 2]" 1
953 1 48 ASN H 1 57 HIS HB3 . . 4.950 3.948 2.580 4.806 . 0 0 "[ . 1 . 2]" 1
954 1 48 ASN H 1 49 GLY HA3 . . 5.290 4.895 4.667 5.118 . 0 0 "[ . 1 . 2]" 1
955 1 48 ASN H 1 57 HIS HB2 . . 4.950 3.397 2.689 4.594 . 0 0 "[ . 1 . 2]" 1
956 1 47 GLU HB3 1 48 ASN H . . 4.130 3.160 1.894 3.583 . 0 0 "[ . 1 . 2]" 1
957 1 47 GLU HB2 1 48 ASN H . . 4.130 3.090 1.834 4.139 0.009 13 0 "[ . 1 . 2]" 1
958 1 34 GLY HA2 1 49 GLY H . . 4.270 2.666 2.367 3.045 . 0 0 "[ . 1 . 2]" 1
959 1 32 LEU HG 1 49 GLY H . . 5.090 4.899 4.548 5.172 0.082 2 0 "[ . 1 . 2]" 1
960 1 50 GLN H 1 58 ARG QD . . 4.340 3.734 2.997 4.321 . 0 0 "[ . 1 . 2]" 1
961 1 32 LEU HB3 1 50 GLN H . . 4.210 3.142 2.832 3.342 . 0 0 "[ . 1 . 2]" 1
962 1 32 LEU QD 1 50 GLN H . . 5.310 3.442 2.947 3.877 . 0 0 "[ . 1 . 2]" 1
963 1 33 LEU QD 1 50 GLN H . . 5.500 5.112 4.778 5.454 . 0 0 "[ . 1 . 2]" 1
964 1 31 ILE MD 1 50 GLN HE21 . . 4.790 3.174 2.019 4.641 . 0 0 "[ . 1 . 2]" 1
965 1 31 ILE MG 1 50 GLN HE21 . . 4.990 2.563 1.744 3.810 . 0 0 "[ . 1 . 2]" 1
966 1 31 ILE MD 1 50 GLN HE22 . . 5.500 3.968 3.156 5.589 0.089 10 0 "[ . 1 . 2]" 1
967 1 31 ILE MG 1 50 GLN HE22 . . 5.180 3.760 2.679 5.163 . 0 0 "[ . 1 . 2]" 1
968 1 55 GLY H 1 56 PRO QD . . 4.560 3.490 1.911 4.371 . 0 0 "[ . 1 . 2]" 1
969 1 57 HIS H 1 57 HIS HB3 . . 3.890 3.584 2.473 4.008 0.118 4 0 "[ . 1 . 2]" 1
970 1 57 HIS H 1 57 HIS HB2 . . 3.890 2.819 2.408 3.766 . 0 0 "[ . 1 . 2]" 1
971 1 56 PRO HB2 1 57 HIS H . . 4.260 2.706 1.844 4.245 . 0 0 "[ . 1 . 2]" 1
972 1 58 ARG H 1 81 CYS HB2 . . 5.120 4.787 3.423 5.180 0.060 17 0 "[ . 1 . 2]" 1
973 1 52 CYS HB2 1 58 ARG H . . 4.870 3.711 3.105 4.931 0.061 2 0 "[ . 1 . 2]" 1
974 1 52 CYS HB3 1 58 ARG H . . 4.870 4.550 3.226 4.958 0.088 6 0 "[ . 1 . 2]" 1
975 1 59 SER H 1 81 CYS HB2 . . 5.000 4.138 3.710 4.712 . 0 0 "[ . 1 . 2]" 1
976 1 58 ARG QD 1 59 SER H . . 5.290 4.439 4.152 4.916 . 0 0 "[ . 1 . 2]" 1
977 1 59 SER H 1 82 GLU HB3 . . 5.500 5.234 5.046 5.446 . 0 0 "[ . 1 . 2]" 1
978 1 59 SER H 1 60 ALA MB . . 5.340 4.636 4.492 4.774 . 0 0 "[ . 1 . 2]" 1
979 1 60 ALA MB 1 61 ILE H . . 4.260 2.949 2.831 3.168 . 0 0 "[ . 1 . 2]" 1
980 1 61 ILE H 1 61 ILE MG . . 3.880 2.117 1.985 2.207 . 0 0 "[ . 1 . 2]" 1
981 1 61 ILE HB 1 62 VAL H . . 4.840 4.361 4.259 4.455 . 0 0 "[ . 1 . 2]" 1
982 1 62 VAL H 1 85 ILE HB . . 5.390 4.335 4.120 4.562 . 0 0 "[ . 1 . 2]" 1
983 1 44 LEU HB3 1 62 VAL H . . 4.820 4.583 4.142 4.855 0.035 20 0 "[ . 1 . 2]" 1
984 1 43 VAL MG1 1 62 VAL H . . 3.490 3.403 3.130 3.528 0.038 13 0 "[ . 1 . 2]" 1
985 1 43 VAL MG2 1 62 VAL H . . 5.500 5.479 5.165 5.559 0.059 7 0 "[ . 1 . 2]" 1
986 1 62 VAL H 1 85 ILE MD . . 5.380 4.342 4.159 4.842 . 0 0 "[ . 1 . 2]" 1
987 1 63 THR H 1 63 THR HB . . 3.530 2.519 2.468 2.573 . 0 0 "[ . 1 . 2]" 1
988 1 62 VAL HB 1 63 THR H . . 5.230 4.316 4.233 4.402 . 0 0 "[ . 1 . 2]" 1
989 1 63 THR H 1 85 ILE HB . . 4.400 3.378 3.007 3.725 . 0 0 "[ . 1 . 2]" 1
990 1 63 THR H 1 63 THR MG . . 4.240 3.771 3.735 3.814 . 0 0 "[ . 1 . 2]" 1
991 1 63 THR MG 1 64 VAL H . . 4.160 3.031 2.968 3.093 . 0 0 "[ . 1 . 2]" 1
992 1 43 VAL MG2 1 64 VAL H . . 4.880 2.987 2.311 3.768 . 0 0 "[ . 1 . 2]" 1
993 1 65 GLU H 1 88 LYS HB3 . . 5.500 3.148 2.558 3.343 . 0 0 "[ . 1 . 2]" 1
994 1 65 GLU H 1 88 LYS HG2 . . 5.350 5.232 4.838 5.372 0.022 20 0 "[ . 1 . 2]" 1
995 1 66 CYS H 1 66 CYS HB2 . . 3.390 3.264 3.143 3.389 . 0 0 "[ . 1 . 2]" 1
996 1 67 GLY H 1 90 PRO HD3 . . 5.500 4.043 3.788 4.262 . 0 0 "[ . 1 . 2]" 1
997 1 67 GLY H 1 93 CYS HB2 . . 5.200 4.506 2.942 5.257 0.057 9 0 "[ . 1 . 2]" 1
998 1 67 GLY H 1 90 PRO HD2 . . 5.500 4.862 4.736 4.981 . 0 0 "[ . 1 . 2]" 1
999 1 67 GLY H 1 90 PRO QG . . 5.300 5.233 5.046 5.350 0.050 20 0 "[ . 1 . 2]" 1
1000 1 67 GLY H 1 88 LYS HB3 . . 4.880 4.927 4.888 4.975 0.095 1 0 "[ . 1 . 2]" 1
1001 1 67 GLY H 1 68 VAL QG . . 5.500 4.933 4.802 5.048 . 0 0 "[ . 1 . 2]" 1
1002 1 68 VAL H 1 68 VAL HB . . 3.580 2.539 2.495 2.598 . 0 0 "[ . 1 . 2]" 1
1003 1 68 VAL H 1 88 LYS HB2 . . 5.280 4.688 4.386 4.984 . 0 0 "[ . 1 . 2]" 1
1004 1 68 VAL H 1 68 VAL QG . . 3.510 2.315 2.218 2.399 . 0 0 "[ . 1 . 2]" 1
1005 1 68 VAL HB 1 69 GLU H . . 3.500 2.942 2.698 3.204 . 0 0 "[ . 1 . 2]" 1
1006 1 69 GLU H 1 69 GLU HB3 . . 3.920 3.065 2.682 3.377 . 0 0 "[ . 1 . 2]" 1
1007 1 69 GLU HB3 1 70 ASN H . . 4.060 3.816 3.664 3.956 . 0 0 "[ . 1 . 2]" 1
1008 1 69 GLU HB2 1 70 ASN HD21 . . 5.500 4.988 3.705 5.587 0.087 13 0 "[ . 1 . 2]" 1
1009 1 71 GLU H 1 71 GLU HG2 . . 5.280 3.540 2.501 5.101 . 0 0 "[ . 1 . 2]" 1
1010 1 71 GLU H 1 71 GLU QB . . 3.540 3.013 2.721 3.267 . 0 0 "[ . 1 . 2]" 1
1011 1 71 GLU H 1 88 LYS HG2 . . 5.500 3.777 3.154 4.452 . 0 0 "[ . 1 . 2]" 1
1012 1 9 THR MG 1 71 GLU H . . 4.540 3.410 3.121 3.789 . 0 0 "[ . 1 . 2]" 1
1013 1 71 GLU H 1 72 ILE HG12 . . 5.470 5.513 5.485 5.554 0.084 18 0 "[ . 1 . 2]" 1
1014 1 9 THR HB 1 72 ILE H . . 4.710 4.732 4.469 4.788 0.078 3 0 "[ . 1 . 2]" 1
1015 1 72 ILE H 1 72 ILE HG12 . . 3.860 3.408 3.225 3.568 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ILE H 1 72 ILE MG . . 4.380 3.779 3.743 3.810 . 0 0 "[ . 1 . 2]" 1
1017 1 73 VAL H 1 73 VAL MG2 . . 3.400 2.206 2.124 2.363 . 0 0 "[ . 1 . 2]" 1
1018 1 74 SER H 1 86 LYS QD . . 5.110 4.186 3.530 5.084 . 0 0 "[ . 1 . 2]" 1
1019 1 73 VAL MG2 1 74 SER H . . 3.940 3.652 3.513 3.741 . 0 0 "[ . 1 . 2]" 1
1020 1 11 ARG HB2 1 12 GLU H . . 4.410 4.275 4.068 4.414 0.004 6 0 "[ . 1 . 2]" 1
1021 1 12 GLU H 1 12 GLU HB2 . . 3.540 3.311 2.352 3.661 0.121 3 0 "[ . 1 . 2]" 1
1022 1 11 ARG HG3 1 12 GLU H . . 3.490 2.667 2.241 2.843 . 0 0 "[ . 1 . 2]" 1
1023 1 76 LEU H 1 76 LEU HB2 . . 3.380 3.167 2.978 3.254 . 0 0 "[ . 1 . 2]" 1
1024 1 76 LEU H 1 76 LEU HB3 . . 3.470 2.704 2.591 2.767 . 0 0 "[ . 1 . 2]" 1
1025 1 76 LEU H 1 76 LEU QD . . 4.060 3.985 3.902 4.029 . 0 0 "[ . 1 . 2]" 1
1026 1 74 SER QB 1 75 VAL H . . 3.780 2.714 2.351 3.546 . 0 0 "[ . 1 . 2]" 1
1027 1 75 VAL H 1 86 LYS HB2 . . 5.470 5.467 5.340 5.596 0.126 11 0 "[ . 1 . 2]" 1
1028 1 75 VAL H 1 76 LEU HB2 . . 5.270 4.524 4.364 4.736 . 0 0 "[ . 1 . 2]" 1
1029 1 75 VAL H 1 75 VAL HB . . 4.100 2.852 2.747 3.320 . 0 0 "[ . 1 . 2]" 1
1030 1 75 VAL H 1 76 LEU QD . . 5.340 5.028 4.861 5.229 . 0 0 "[ . 1 . 2]" 1
1031 1 13 ILE MD 1 75 VAL H . . 4.750 4.185 3.239 4.780 0.030 7 0 "[ . 1 . 2]" 1
1032 1 77 GLU H 1 77 GLU HB3 . . 3.660 2.481 2.401 2.579 . 0 0 "[ . 1 . 2]" 1
1033 1 76 LEU HB2 1 77 GLU H . . 4.370 4.250 4.138 4.360 . 0 0 "[ . 1 . 2]" 1
1034 1 76 LEU HG 1 77 GLU H . . 3.650 3.166 2.915 3.455 . 0 0 "[ . 1 . 2]" 1
1035 1 76 LEU QD 1 77 GLU H . . 3.930 2.427 2.124 2.660 . 0 0 "[ . 1 . 2]" 1
1036 1 77 GLU HG2 1 78 ALA H . . 4.850 3.893 3.295 4.300 . 0 0 "[ . 1 . 2]" 1
1037 1 78 ALA H 1 84 LEU HG . . 5.150 2.851 2.534 3.620 . 0 0 "[ . 1 . 2]" 1
1038 1 78 ALA H 1 78 ALA MB . . 3.360 2.440 2.344 2.776 . 0 0 "[ . 1 . 2]" 1
1039 1 78 ALA H 1 84 LEU QD . . 4.920 3.300 3.124 3.728 . 0 0 "[ . 1 . 2]" 1
1040 1 79 GLN H 1 79 GLN HB3 . . 4.180 3.419 2.651 3.833 . 0 0 "[ . 1 . 2]" 1
1041 1 79 GLN H 1 84 LEU HG . . 4.670 3.991 3.429 4.634 . 0 0 "[ . 1 . 2]" 1
1042 1 78 ALA MB 1 79 GLN H . . 3.260 3.110 2.711 3.330 0.070 8 0 "[ . 1 . 2]" 1
1043 1 79 GLN H 1 84 LEU QD . . 5.500 3.880 3.319 4.307 . 0 0 "[ . 1 . 2]" 1
1044 1 80 LYS H 1 80 LYS QE . . 5.150 4.090 3.558 5.148 . 0 0 "[ . 1 . 2]" 1
1045 1 80 LYS H 1 80 LYS QB . . 3.350 2.707 2.362 3.386 0.036 6 0 "[ . 1 . 2]" 1
1046 1 81 CYS H 1 81 CYS HB2 . . 3.710 3.554 3.408 3.676 . 0 0 "[ . 1 . 2]" 1
1047 1 77 GLU HG2 1 81 CYS H . . 4.990 3.719 3.196 4.116 . 0 0 "[ . 1 . 2]" 1
1048 1 80 LYS QD 1 81 CYS H . . 5.370 4.460 4.169 4.652 . 0 0 "[ . 1 . 2]" 1
1049 1 77 GLU HG3 1 81 CYS H . . 4.800 3.579 3.328 4.061 . 0 0 "[ . 1 . 2]" 1
1050 1 81 CYS HB3 1 82 GLU H . . 5.190 4.447 4.380 4.518 . 0 0 "[ . 1 . 2]" 1
1051 1 80 LYS QD 1 82 GLU H . . 3.720 3.600 3.186 3.758 0.038 13 0 "[ . 1 . 2]" 1
1052 1 77 GLU HG3 1 82 GLU H . . 4.170 3.275 2.614 4.308 0.138 6 0 "[ . 1 . 2]" 1
1053 1 83 TYR H 1 83 TYR HB2 . . 4.080 2.380 2.305 2.439 . 0 0 "[ . 1 . 2]" 1
1054 1 82 GLU HG2 1 83 TYR H . . 5.140 3.343 3.035 3.586 . 0 0 "[ . 1 . 2]" 1
1055 1 82 GLU HB3 1 83 TYR H . . 4.820 4.119 3.984 4.232 . 0 0 "[ . 1 . 2]" 1
1056 1 60 ALA MB 1 83 TYR H . . 5.290 3.600 3.340 3.840 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ILE MG 1 83 TYR H . . 5.500 4.088 3.857 4.249 . 0 0 "[ . 1 . 2]" 1
1058 1 83 TYR HB2 1 84 LEU H . . 4.700 4.300 4.186 4.391 . 0 0 "[ . 1 . 2]" 1
1059 1 84 LEU H 1 84 LEU HB3 . . 3.630 3.593 3.552 3.638 0.008 18 0 "[ . 1 . 2]" 1
1060 1 84 LEU H 1 84 LEU HB2 . . 3.760 2.527 2.438 2.564 . 0 0 "[ . 1 . 2]" 1
1061 1 45 LYS HG3 1 46 TYR H . . 5.210 4.151 3.478 4.744 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ILE MG 1 84 LEU H . . 4.000 3.810 3.665 3.914 . 0 0 "[ . 1 . 2]" 1
1063 1 33 LEU QD 1 84 LEU H . . 5.500 5.536 5.464 5.663 0.163 18 0 "[ . 1 . 2]" 1
1064 1 61 ILE MG 1 85 ILE H . . 4.190 2.794 2.555 2.998 . 0 0 "[ . 1 . 2]" 1
1065 1 83 TYR HB3 1 84 LEU H . . 4.340 3.423 3.312 3.605 . 0 0 "[ . 1 . 2]" 1
1066 1 74 SER QB 1 86 LYS H . . 5.090 4.169 3.751 4.492 . 0 0 "[ . 1 . 2]" 1
1067 1 86 LYS H 1 86 LYS HB3 . . 3.610 2.965 2.554 3.626 0.016 14 0 "[ . 1 . 2]" 1
1068 1 85 ILE HG12 1 86 LYS H . . 5.010 4.606 4.429 5.116 0.106 3 0 "[ . 1 . 2]" 1
1069 1 86 LYS H 1 86 LYS HG2 . . 4.620 4.163 3.156 4.518 . 0 0 "[ . 1 . 2]" 1
1070 1 72 ILE MG 1 86 LYS H . . 4.520 3.578 3.376 3.935 . 0 0 "[ . 1 . 2]" 1
1071 1 85 ILE MD 1 86 LYS H . . 5.500 5.134 4.779 5.243 . 0 0 "[ . 1 . 2]" 1
1072 1 87 MET H 1 87 MET HG3 . . 4.630 3.456 3.225 3.619 . 0 0 "[ . 1 . 2]" 1
1073 1 86 LYS HB3 1 87 MET H . . 4.660 3.843 2.996 4.296 . 0 0 "[ . 1 . 2]" 1
1074 1 87 MET H 1 88 LYS HB3 . . 5.010 5.085 5.028 5.131 0.121 17 0 "[ . 1 . 2]" 1
1075 1 86 LYS HG2 1 87 MET H . . 4.760 4.128 3.250 4.808 0.048 4 0 "[ . 1 . 2]" 1
1076 1 73 VAL MG2 1 87 MET H . . 4.330 4.158 3.784 4.375 0.045 13 0 "[ . 1 . 2]" 1
1077 1 85 ILE MG 1 87 MET H . . 5.070 4.173 3.899 4.334 . 0 0 "[ . 1 . 2]" 1
1078 1 87 MET HB3 1 88 LYS H . . 4.320 2.078 1.839 2.434 . 0 0 "[ . 1 . 2]" 1
1079 1 87 MET ME 1 88 LYS H . . 4.190 3.258 3.050 3.557 . 0 0 "[ . 1 . 2]" 1
1080 1 73 VAL MG2 1 88 LYS H . . 4.220 3.584 3.135 4.010 . 0 0 "[ . 1 . 2]" 1
1081 1 89 SER H 1 90 PRO HD2 . . 5.480 4.720 4.640 4.785 . 0 0 "[ . 1 . 2]" 1
1082 1 88 LYS HB3 1 89 SER H . . 4.420 3.974 3.711 4.136 . 0 0 "[ . 1 . 2]" 1
1083 1 89 SER H 1 92 ALA MB . . 4.730 3.127 2.504 4.030 . 0 0 "[ . 1 . 2]" 1
1084 1 89 SER QB 1 91 ALA H . . 4.860 2.779 2.388 3.524 . 0 0 "[ . 1 . 2]" 1
1085 1 90 PRO HD3 1 91 ALA H . . 4.920 3.869 3.772 3.952 . 0 0 "[ . 1 . 2]" 1
1086 1 90 PRO HD2 1 92 ALA H . . 5.500 4.676 4.563 5.179 . 0 0 "[ . 1 . 2]" 1
1087 1 90 PRO QG 1 92 ALA H . . 5.440 4.711 4.561 5.117 . 0 0 "[ . 1 . 2]" 1
1088 1 92 ALA H 1 92 ALA MB . . 3.260 2.261 2.204 2.344 . 0 0 "[ . 1 . 2]" 1
1089 1 93 CYS H 1 93 CYS HB2 . . 3.700 2.371 2.295 2.541 . 0 0 "[ . 1 . 2]" 1
1090 1 93 CYS HB2 1 94 SER H . . 4.770 4.062 2.790 4.544 . 0 0 "[ . 1 . 2]" 1
1091 1 34 GLY H 1 60 ALA MB . . 3.580 3.312 3.023 3.589 0.009 13 0 "[ . 1 . 2]" 1
1092 1 32 LEU QD 1 34 GLY H . . 3.710 2.735 2.479 3.098 . 0 0 "[ . 1 . 2]" 1
1093 1 33 LEU H 1 34 GLY H . . 3.780 2.863 2.620 3.067 . 0 0 "[ . 1 . 2]" 1
1094 1 28 GLN H 1 29 ASP H . . 5.090 3.811 3.668 3.934 . 0 0 "[ . 1 . 2]" 1
1095 1 28 GLN H 1 32 LEU HA . . 5.070 3.528 3.281 3.769 . 0 0 "[ . 1 . 2]" 1
1096 1 27 PHE HB3 1 28 GLN H . . 3.900 2.546 2.384 2.713 . 0 0 "[ . 1 . 2]" 1
1097 1 28 GLN H 1 28 GLN HB2 . . 3.710 3.671 2.791 3.746 0.036 3 0 "[ . 1 . 2]" 1
1098 1 28 GLN H 1 33 LEU QD . . 3.990 3.694 2.563 3.985 . 0 0 "[ . 1 . 2]" 1
1099 1 46 TYR H 1 60 ALA H . . 3.820 3.055 2.909 3.173 . 0 0 "[ . 1 . 2]" 1
1100 1 60 ALA H 1 61 ILE H . . 4.870 4.196 4.075 4.306 . 0 0 "[ . 1 . 2]" 1
1101 1 45 LYS HA 1 60 ALA H . . 4.920 4.902 4.790 4.953 0.033 5 0 "[ . 1 . 2]" 1
1102 1 59 SER QB 1 60 ALA H . . 3.830 2.692 2.251 3.455 . 0 0 "[ . 1 . 2]" 1
1103 1 46 TYR HB2 1 60 ALA H . . 4.090 2.649 2.321 3.114 . 0 0 "[ . 1 . 2]" 1
1104 1 46 TYR HB3 1 60 ALA H . . 5.000 3.968 3.637 4.360 . 0 0 "[ . 1 . 2]" 1
1105 1 60 ALA H 1 61 ILE MG . . 5.500 5.075 4.918 5.210 . 0 0 "[ . 1 . 2]" 1
1106 1 23 TYR H 1 24 GLU H . . 4.430 2.402 1.806 3.303 . 0 0 "[ . 1 . 2]" 1
1107 1 22 PHE HB3 1 23 TYR H . . 5.170 2.816 2.075 3.611 . 0 0 "[ . 1 . 2]" 1
1108 1 7 MET H 1 21 VAL MG1 . . 4.780 3.585 2.100 4.852 0.072 18 0 "[ . 1 . 2]" 1
1109 1 31 ILE H 1 32 LEU H . . 5.160 4.359 4.295 4.453 . 0 0 "[ . 1 . 2]" 1
1110 1 70 ASN H 1 70 ASN HD22 . . 4.500 3.559 3.253 3.947 . 0 0 "[ . 1 . 2]" 1
1111 1 70 ASN HD22 1 87 MET ME . . 5.500 5.585 5.488 5.665 0.165 11 0 "[ . 1 . 2]" 1
1112 1 15 GLY H 1 16 TYR QD . . 5.210 4.603 2.757 5.108 . 0 0 "[ . 1 . 2]" 1
1113 1 16 TYR HA 1 16 TYR QD . . 3.820 3.654 3.606 3.757 . 0 0 "[ . 1 . 2]" 1
1114 1 14 GLY HA3 1 16 TYR QD . . 4.400 4.368 4.040 4.441 0.041 14 0 "[ . 1 . 2]" 1
1115 1 15 GLY HA3 1 16 TYR QD . . 4.350 3.930 3.527 4.293 . 0 0 "[ . 1 . 2]" 1
1116 1 14 GLY HA3 1 16 TYR QE . . 4.920 3.567 3.018 4.024 . 0 0 "[ . 1 . 2]" 1
1117 1 14 GLY HA2 1 16 TYR QE . . 4.810 4.914 4.435 5.632 0.822 2 1 "[ + . 1 . 2]" 1
1118 1 18 TYR QD 1 19 LYS H . . 4.880 4.025 3.786 4.306 . 0 0 "[ . 1 . 2]" 1
1119 1 13 ILE H 1 18 TYR QD . . 4.080 2.284 2.105 3.378 . 0 0 "[ . 1 . 2]" 1
1120 1 18 TYR HA 1 18 TYR QD . . 4.250 3.025 2.905 3.125 . 0 0 "[ . 1 . 2]" 1
1121 1 12 GLU HA 1 18 TYR QD . . 5.120 3.509 3.032 4.362 . 0 0 "[ . 1 . 2]" 1
1122 1 17 THR HA 1 18 TYR QD . . 4.460 3.768 3.529 4.150 . 0 0 "[ . 1 . 2]" 1
1123 1 83 TYR H 1 83 TYR QE . . 4.560 4.460 4.322 4.581 0.021 6 0 "[ . 1 . 2]" 1
1124 1 22 PHE QE 1 23 TYR QE . . 4.760 3.998 3.243 4.897 0.137 3 0 "[ . 1 . 2]" 1
1125 1 27 PHE QD 1 32 LEU H . . 5.230 3.748 3.379 4.067 . 0 0 "[ . 1 . 2]" 1
1126 1 27 PHE QD 1 28 GLN H . . 4.740 3.916 3.727 4.041 . 0 0 "[ . 1 . 2]" 1
1127 1 27 PHE H 1 27 PHE QD . . 4.550 2.815 2.556 3.111 . 0 0 "[ . 1 . 2]" 1
1128 1 26 VAL HA 1 27 PHE QD . . 5.230 3.662 3.258 4.192 . 0 0 "[ . 1 . 2]" 1
1129 1 27 PHE QD 1 31 ILE HA . . 5.070 4.679 4.094 5.070 . 0 0 "[ . 1 . 2]" 1
1130 1 27 PHE H 1 27 PHE QE . . 5.140 4.728 4.594 5.010 . 0 0 "[ . 1 . 2]" 1
1131 1 45 LYS HA 1 46 TYR QD . . 4.710 3.477 3.122 3.857 . 0 0 "[ . 1 . 2]" 1
1132 1 46 TYR QD 1 61 ILE HA . . 5.400 3.360 2.926 3.880 . 0 0 "[ . 1 . 2]" 1
1133 1 22 PHE QD 1 23 TYR QE . . 3.490 2.748 1.959 3.267 . 0 0 "[ . 1 . 2]" 1
1134 1 36 PHE H 1 36 PHE QD . . 5.130 4.269 4.218 4.304 . 0 0 "[ . 1 . 2]" 1
1135 1 46 TYR H 1 46 TYR QD . . 4.400 2.621 2.330 2.933 . 0 0 "[ . 1 . 2]" 1
1136 1 46 TYR QD 1 47 GLU H . . 5.110 4.526 4.317 4.790 . 0 0 "[ . 1 . 2]" 1
1137 1 56 PRO HA 1 57 HIS HD2 . . 5.020 3.300 2.466 4.652 . 0 0 "[ . 1 . 2]" 1
1138 1 57 HIS HA 1 57 HIS HD2 . . 4.350 3.842 2.842 4.453 0.103 1 0 "[ . 1 . 2]" 1
1139 1 59 SER H 1 83 TYR QD . . 4.360 3.220 2.780 3.682 . 0 0 "[ . 1 . 2]" 1
1140 1 83 TYR H 1 83 TYR QD . . 3.760 2.314 2.123 2.586 . 0 0 "[ . 1 . 2]" 1
1141 1 77 GLU H 1 83 TYR QD . . 5.040 3.775 3.385 4.049 . 0 0 "[ . 1 . 2]" 1
1142 1 83 TYR QD 1 84 LEU H . . 4.970 4.275 4.065 4.497 . 0 0 "[ . 1 . 2]" 1
1143 1 83 TYR HA 1 83 TYR QD . . 4.190 3.022 2.772 3.176 . 0 0 "[ . 1 . 2]" 1
1144 1 82 GLU HA 1 83 TYR QD . . 4.080 3.063 2.858 3.281 . 0 0 "[ . 1 . 2]" 1
1145 1 77 GLU HA 1 83 TYR QD . . 4.530 3.690 3.128 4.106 . 0 0 "[ . 1 . 2]" 1
1146 1 81 CYS HA 1 83 TYR QD . . 4.970 4.656 4.523 4.847 . 0 0 "[ . 1 . 2]" 1
1147 1 15 GLY HA2 1 16 TYR QD . . 5.120 5.081 4.596 5.406 0.286 5 0 "[ . 1 . 2]" 1
1148 1 16 TYR QD 1 29 ASP HB2 . . 4.970 4.788 4.227 5.095 0.125 18 0 "[ . 1 . 2]" 1
1149 1 16 TYR QD 1 33 LEU QD . . 5.160 4.528 4.402 4.690 . 0 0 "[ . 1 . 2]" 1
1150 1 16 TYR QE 1 75 VAL HB . . 5.190 5.011 4.670 5.242 0.052 2 0 "[ . 1 . 2]" 1
1151 1 16 TYR HB2 1 18 TYR QD . . 4.790 4.724 4.031 4.832 0.042 6 0 "[ . 1 . 2]" 1
1152 1 13 ILE MG 1 18 TYR QD . . 4.320 4.010 3.624 4.429 0.109 2 0 "[ . 1 . 2]" 1
1153 1 81 CYS HB3 1 83 TYR QE . . 4.280 3.638 3.133 4.110 . 0 0 "[ . 1 . 2]" 1
1154 1 22 PHE HB2 1 23 TYR QE . . 4.530 4.494 4.005 4.614 0.084 13 0 "[ . 1 . 2]" 1
1155 1 22 PHE HB3 1 23 TYR QE . . 4.230 3.141 2.694 3.434 . 0 0 "[ . 1 . 2]" 1
1156 1 18 TYR QE 1 83 TYR HB3 . . 3.630 3.460 3.179 3.684 0.054 2 0 "[ . 1 . 2]" 1
1157 1 77 GLU HB2 1 83 TYR QE . . 3.710 2.653 2.112 3.267 . 0 0 "[ . 1 . 2]" 1
1158 1 18 TYR QE 1 33 LEU QD . . 3.480 1.883 1.804 2.239 . 0 0 "[ . 1 . 2]" 1
1159 1 22 PHE QE 1 62 VAL HB . . 4.760 4.735 4.310 4.834 0.074 19 0 "[ . 1 . 2]" 1
1160 1 25 ASN HB2 1 27 PHE QD . . 5.240 5.015 4.834 5.258 0.018 17 0 "[ . 1 . 2]" 1
1161 1 19 LYS HB2 1 27 PHE QD . . 4.690 3.876 3.601 4.440 . 0 0 "[ . 1 . 2]" 1
1162 1 19 LYS HB3 1 27 PHE QD . . 4.690 2.368 1.979 2.828 . 0 0 "[ . 1 . 2]" 1
1163 1 19 LYS QD 1 27 PHE QD . . 4.540 2.557 2.026 4.098 . 0 0 "[ . 1 . 2]" 1
1164 1 21 VAL MG2 1 27 PHE QD . . 4.680 3.331 2.906 3.697 . 0 0 "[ . 1 . 2]" 1
1165 1 26 VAL MG1 1 27 PHE QD . . 5.070 4.590 4.383 4.814 . 0 0 "[ . 1 . 2]" 1
1166 1 27 PHE QE 1 32 LEU HA . . 5.030 3.927 3.626 4.089 . 0 0 "[ . 1 . 2]" 1
1167 1 25 ASN HB3 1 27 PHE QE . . 5.170 5.240 5.189 5.297 0.127 4 0 "[ . 1 . 2]" 1
1168 1 25 ASN HB2 1 27 PHE QE . . 4.700 4.521 4.347 4.742 0.042 10 0 "[ . 1 . 2]" 1
1169 1 27 PHE QE 1 32 LEU HB3 . . 4.360 4.332 3.964 4.423 0.063 7 0 "[ . 1 . 2]" 1
1170 1 24 GLU HB2 1 27 PHE QE . . 5.000 5.022 4.834 5.121 0.121 3 0 "[ . 1 . 2]" 1
1171 1 19 LYS QD 1 27 PHE QE . . 4.580 3.219 2.629 4.669 0.089 19 0 "[ . 1 . 2]" 1
1172 1 21 VAL MG2 1 27 PHE QE . . 4.640 2.748 2.098 3.348 . 0 0 "[ . 1 . 2]" 1
1173 1 25 ASN HB2 1 27 PHE HZ . . 5.280 4.880 4.632 5.220 . 0 0 "[ . 1 . 2]" 1
1174 1 27 PHE HZ 1 32 LEU QD . . 4.180 3.297 2.948 3.641 . 0 0 "[ . 1 . 2]" 1
1175 1 36 PHE HA 1 36 PHE QD . . 3.910 2.700 2.529 2.872 . 0 0 "[ . 1 . 2]" 1
1176 1 25 ASN HB2 1 46 TYR QD . . 5.010 3.905 3.392 4.527 . 0 0 "[ . 1 . 2]" 1
1177 1 36 PHE QD 1 44 LEU HB3 . . 5.020 3.070 2.349 3.986 . 0 0 "[ . 1 . 2]" 1
1178 1 36 PHE HB2 1 46 TYR QE . . 3.790 2.514 2.051 3.233 . 0 0 "[ . 1 . 2]" 1
1179 1 25 ASN HB3 1 46 TYR QD . . 5.210 3.336 2.953 3.636 . 0 0 "[ . 1 . 2]" 1
1180 1 26 VAL HB 1 46 TYR QD . . 4.520 4.379 4.043 4.539 0.019 7 0 "[ . 1 . 2]" 1
1181 1 56 PRO HB3 1 57 HIS HD2 . . 4.210 4.163 3.282 4.376 0.166 13 0 "[ . 1 . 2]" 1
1182 1 77 GLU HB3 1 83 TYR QD . . 4.530 4.398 4.191 4.548 0.018 6 0 "[ . 1 . 2]" 1
1183 1 82 GLU HG3 1 83 TYR QD . . 4.900 4.915 4.737 4.989 0.089 13 0 "[ . 1 . 2]" 1
1184 1 77 GLU HB2 1 83 TYR QD . . 4.170 2.934 2.607 3.278 . 0 0 "[ . 1 . 2]" 1
1185 1 60 ALA MB 1 83 TYR QD . . 4.060 3.764 3.284 4.083 0.023 13 0 "[ . 1 . 2]" 1
1186 1 4 ILE HA 1 4 ILE QG . . 3.110 2.599 2.434 3.252 0.142 13 0 "[ . 1 . 2]" 1
1187 1 4 ILE QG 1 4 ILE MG . . 3.040 2.237 2.078 2.400 . 0 0 "[ . 1 . 2]" 1
1188 1 6 GLY H 1 24 GLU QG . . 4.650 3.945 3.356 4.532 . 0 0 "[ . 1 . 2]" 1
1189 1 6 GLY QA 1 21 VAL MG1 . . 3.850 3.793 3.255 3.990 0.140 20 0 "[ . 1 . 2]" 1
1190 1 9 THR H 1 19 LYS QG . . 5.340 4.334 3.842 4.844 . 0 0 "[ . 1 . 2]" 1
1191 1 9 THR HB 1 70 ASN QB . . 5.340 4.231 3.769 4.803 . 0 0 "[ . 1 . 2]" 1
1192 1 9 THR MG 1 70 ASN QB . . 3.900 2.962 2.318 3.267 . 0 0 "[ . 1 . 2]" 1
1193 1 10 LYS HA 1 19 LYS QB . . 5.190 4.160 3.804 4.436 . 0 0 "[ . 1 . 2]" 1
1194 1 11 ARG HB3 1 13 ILE QG . . 5.340 3.970 2.628 4.356 . 0 0 "[ . 1 . 2]" 1
1195 1 12 GLU H 1 13 ILE QG . . 5.060 4.869 3.656 5.144 0.084 7 0 "[ . 1 . 2]" 1
1196 1 12 GLU QG 1 13 ILE H . . 5.120 4.186 3.018 4.965 . 0 0 "[ . 1 . 2]" 1
1197 1 13 ILE H 1 13 ILE QG . . 4.070 3.501 2.511 3.731 . 0 0 "[ . 1 . 2]" 1
1198 1 13 ILE QG 1 13 ILE MG . . 2.610 2.113 2.057 2.255 . 0 0 "[ . 1 . 2]" 1
1199 1 13 ILE MG 1 75 VAL QG . . 4.400 3.265 2.365 3.814 . 0 0 "[ . 1 . 2]" 1
1200 1 13 ILE QG 1 18 TYR QD . . 4.560 3.752 2.953 4.281 . 0 0 "[ . 1 . 2]" 1
1201 1 16 TYR HB2 1 28 GLN QG . . 4.490 3.944 3.634 4.197 . 0 0 "[ . 1 . 2]" 1
1202 1 16 TYR HB2 1 28 GLN QE . . 5.340 4.079 3.798 4.382 . 0 0 "[ . 1 . 2]" 1
1203 1 16 TYR HB3 1 28 GLN QG . . 5.340 4.830 4.533 5.455 0.115 14 0 "[ . 1 . 2]" 1
1204 1 16 TYR HB3 1 28 GLN QE . . 5.340 5.051 4.715 5.333 . 0 0 "[ . 1 . 2]" 1
1205 1 16 TYR QD 1 28 GLN QG . . 5.340 4.063 3.116 4.284 . 0 0 "[ . 1 . 2]" 1
1206 1 16 TYR QD 1 28 GLN QE . . 4.520 2.708 2.338 3.605 . 0 0 "[ . 1 . 2]" 1
1207 1 16 TYR QD 1 75 VAL QG . . 5.320 4.922 4.000 5.232 . 0 0 "[ . 1 . 2]" 1
1208 1 16 TYR QE 1 28 GLN QG . . 5.340 4.992 4.057 5.362 0.022 2 0 "[ . 1 . 2]" 1
1209 1 16 TYR QE 1 75 VAL QG . . 4.680 4.230 2.594 4.533 . 0 0 "[ . 1 . 2]" 1
1210 1 18 TYR H 1 19 LYS QB . . 5.340 5.257 5.103 5.364 0.024 13 0 "[ . 1 . 2]" 1
1211 1 18 TYR H 1 75 VAL QG . . 5.440 5.088 4.830 5.469 0.029 14 0 "[ . 1 . 2]" 1
1212 1 18 TYR HB2 1 75 VAL QG . . 5.300 3.549 3.208 4.148 . 0 0 "[ . 1 . 2]" 1
1213 1 18 TYR HB3 1 75 VAL QG . . 5.260 3.387 3.004 4.483 . 0 0 "[ . 1 . 2]" 1
1214 1 18 TYR QD 1 75 VAL QG . . 4.420 2.785 2.605 3.162 . 0 0 "[ . 1 . 2]" 1
1215 1 18 TYR QE 1 75 VAL QG . . 5.210 2.136 1.801 2.407 . 0 0 "[ . 1 . 2]" 1
1216 1 19 LYS QB 1 19 LYS QD . . 2.450 2.394 2.321 2.446 . 0 0 "[ . 1 . 2]" 1
1217 1 19 LYS QB 1 19 LYS QE . . 3.530 2.014 1.887 2.090 . 0 0 "[ . 1 . 2]" 1
1218 1 19 LYS QB 1 21 VAL MG2 . . 4.480 3.689 3.303 4.052 . 0 0 "[ . 1 . 2]" 1
1219 1 19 LYS QB 1 26 VAL HA . . 5.340 3.906 3.661 4.296 . 0 0 "[ . 1 . 2]" 1
1220 1 19 LYS QB 1 27 PHE H . . 4.930 2.674 2.427 2.944 . 0 0 "[ . 1 . 2]" 1
1221 1 19 LYS QB 1 27 PHE HB2 . . 3.930 2.505 2.292 2.689 . 0 0 "[ . 1 . 2]" 1
1222 1 19 LYS QB 1 27 PHE QD . . 4.100 2.348 1.970 2.797 . 0 0 "[ . 1 . 2]" 1
1223 1 19 LYS QG 1 20 VAL H . . 3.760 2.902 2.806 2.992 . 0 0 "[ . 1 . 2]" 1
1224 1 19 LYS QG 1 20 VAL HB . . 5.340 4.953 4.866 5.016 . 0 0 "[ . 1 . 2]" 1
1225 1 19 LYS QG 1 27 PHE QD . . 4.770 3.509 3.307 3.714 . 0 0 "[ . 1 . 2]" 1
1226 1 21 VAL HB 1 24 GLU QG . . 3.710 3.582 3.411 3.765 0.055 15 0 "[ . 1 . 2]" 1
1227 1 21 VAL MG2 1 24 GLU QG . . 4.330 3.903 3.526 4.319 . 0 0 "[ . 1 . 2]" 1
1228 1 22 PHE HB2 1 62 VAL QG . . 5.440 5.179 4.530 5.608 0.168 2 0 "[ . 1 . 2]" 1
1229 1 22 PHE HB3 1 44 LEU QD . . 5.440 3.808 2.802 4.697 . 0 0 "[ . 1 . 2]" 1
1230 1 22 PHE QD 1 44 LEU QD . . 4.260 2.646 1.887 3.343 . 0 0 "[ . 1 . 2]" 1
1231 1 22 PHE QD 1 62 VAL QG . . 4.050 3.352 2.547 3.940 . 0 0 "[ . 1 . 2]" 1
1232 1 22 PHE QE 1 62 VAL QG . . 4.120 2.868 2.285 3.596 . 0 0 "[ . 1 . 2]" 1
1233 1 23 TYR H 1 44 LEU QD . . 5.420 3.815 2.019 5.106 . 0 0 "[ . 1 . 2]" 1
1234 1 23 TYR QB 1 24 GLU QG . . 4.430 3.540 3.287 3.919 . 0 0 "[ . 1 . 2]" 1
1235 1 23 TYR QE 1 44 LEU QD . . 4.170 3.494 2.611 4.147 . 0 0 "[ . 1 . 2]" 1
1236 1 24 GLU H 1 24 GLU QG . . 4.430 2.934 2.461 3.187 . 0 0 "[ . 1 . 2]" 1
1237 1 24 GLU HA 1 24 GLU QG . . 3.570 2.470 2.297 2.784 . 0 0 "[ . 1 . 2]" 1
1238 1 24 GLU HB3 1 24 GLU QG . . 2.430 2.396 2.318 2.476 0.046 15 0 "[ . 1 . 2]" 1
1239 1 24 GLU HB3 1 25 ASN QD . . 4.490 3.034 1.761 4.373 . 0 0 "[ . 1 . 2]" 1
1240 1 24 GLU QG 1 25 ASN H . . 5.340 3.963 3.818 4.081 . 0 0 "[ . 1 . 2]" 1
1241 1 25 ASN QD 1 26 VAL H . . 4.950 4.503 4.021 4.712 . 0 0 "[ . 1 . 2]" 1
1242 1 25 ASN QD 1 27 PHE HZ . . 5.040 2.615 2.183 2.915 . 0 0 "[ . 1 . 2]" 1
1243 1 25 ASN QD 1 32 LEU QD . . 4.410 2.798 1.836 3.814 . 0 0 "[ . 1 . 2]" 1
1244 1 26 VAL MG1 1 28 GLN QE . . 5.340 5.228 4.856 5.452 0.112 14 0 "[ . 1 . 2]" 1
1245 1 27 PHE HA 1 28 GLN QG . . 4.410 3.664 3.471 3.794 . 0 0 "[ . 1 . 2]" 1
1246 1 27 PHE HB2 1 28 GLN QG . . 5.340 5.338 5.129 5.384 0.044 18 0 "[ . 1 . 2]" 1
1247 1 27 PHE HB3 1 28 GLN QG . . 5.080 4.475 4.344 4.744 . 0 0 "[ . 1 . 2]" 1
1248 1 27 PHE QD 1 28 GLN QG . . 5.340 5.269 4.929 5.450 0.110 14 0 "[ . 1 . 2]" 1
1249 1 28 GLN H 1 28 GLN QG . . 3.640 2.266 2.104 2.438 . 0 0 "[ . 1 . 2]" 1
1250 1 28 GLN QG 1 29 ASP H . . 5.340 4.390 4.336 4.442 . 0 0 "[ . 1 . 2]" 1
1251 1 28 GLN QG 1 31 ILE HB . . 4.590 1.975 1.793 3.666 . 0 0 "[ . 1 . 2]" 1
1252 1 28 GLN QG 1 33 LEU H . . 3.840 3.897 3.855 3.946 0.106 1 0 "[ . 1 . 2]" 1
1253 1 28 GLN QG 1 33 LEU QD . . 3.640 2.213 1.995 2.465 . 0 0 "[ . 1 . 2]" 1
1254 1 28 GLN QE 1 33 LEU QD . . 5.340 2.375 2.260 2.579 . 0 0 "[ . 1 . 2]" 1
1255 1 29 ASP HB3 1 31 ILE QG . . 5.340 4.119 3.454 5.366 0.026 13 0 "[ . 1 . 2]" 1
1256 1 30 SER H 1 31 ILE QG . . 5.340 3.255 2.892 3.549 . 0 0 "[ . 1 . 2]" 1
1257 1 31 ILE H 1 31 ILE QG . . 3.450 2.567 2.327 2.891 . 0 0 "[ . 1 . 2]" 1
1258 1 31 ILE QG 1 32 LEU H . . 5.340 4.345 3.841 4.725 . 0 0 "[ . 1 . 2]" 1
1259 1 31 ILE QG 1 50 GLN HE21 . . 4.460 3.854 2.847 4.541 0.081 15 0 "[ . 1 . 2]" 1
1260 1 33 LEU HA 1 58 ARG QB . . 5.030 2.993 2.343 4.027 . 0 0 "[ . 1 . 2]" 1
1261 1 33 LEU HA 1 58 ARG QG . . 5.340 3.322 2.089 4.427 . 0 0 "[ . 1 . 2]" 1
1262 1 33 LEU QD 1 58 ARG QB . . 5.340 3.625 2.844 4.533 . 0 0 "[ . 1 . 2]" 1
1263 1 35 ASN H 1 47 GLU QB . . 5.320 4.156 3.836 4.471 . 0 0 "[ . 1 . 2]" 1
1264 1 36 PHE HB2 1 44 LEU QD . . 5.440 4.515 4.058 5.298 . 0 0 "[ . 1 . 2]" 1
1265 1 36 PHE QE 1 39 GLN QB . . 4.680 2.299 1.966 2.658 . 0 0 "[ . 1 . 2]" 1
1266 1 36 PHE HZ 1 39 GLN QB . . 3.990 2.511 1.999 3.616 . 0 0 "[ . 1 . 2]" 1
1267 1 37 ALA MB 1 47 GLU QG . . 4.570 3.014 1.993 4.582 0.012 6 0 "[ . 1 . 2]" 1
1268 1 38 SER H 1 45 LYS QB . . 4.180 3.226 2.723 3.753 . 0 0 "[ . 1 . 2]" 1
1269 1 42 ASN H 1 42 ASN QD . . 5.340 4.439 3.774 4.696 . 0 0 "[ . 1 . 2]" 1
1270 1 42 ASN QD 1 64 VAL H . . 4.820 4.059 3.474 4.468 . 0 0 "[ . 1 . 2]" 1
1271 1 42 ASN QD 1 64 VAL HB . . 5.340 2.713 1.834 4.121 . 0 0 "[ . 1 . 2]" 1
1272 1 42 ASN QD 1 64 VAL QG . . 5.270 2.702 1.988 3.317 . 0 0 "[ . 1 . 2]" 1
1273 1 42 ASN QD 1 66 CYS H . . 5.340 3.857 2.907 4.764 . 0 0 "[ . 1 . 2]" 1
1274 1 42 ASN QD 1 66 CYS HA . . 5.340 4.564 3.498 5.304 . 0 0 "[ . 1 . 2]" 1
1275 1 42 ASN QD 1 92 ALA MB . . 3.920 2.361 1.694 3.671 . 0 0 "[ . 1 . 2]" 1
1276 1 43 VAL HA 1 44 LEU QD . . 4.800 3.159 2.656 4.039 . 0 0 "[ . 1 . 2]" 1
1277 1 43 VAL MG1 1 61 ILE QG . . 4.220 2.582 2.114 3.058 . 0 0 "[ . 1 . 2]" 1
1278 1 44 LEU H 1 44 LEU QD . . 4.600 2.607 2.172 3.277 . 0 0 "[ . 1 . 2]" 1
1279 1 44 LEU H 1 62 VAL QG . . 4.950 2.982 1.684 3.759 . 0 0 "[ . 1 . 2]" 1
1280 1 44 LEU HA 1 44 LEU QD . . 4.080 2.523 1.985 2.941 . 0 0 "[ . 1 . 2]" 1
1281 1 44 LEU QD 1 45 LYS H . . 5.440 3.922 3.193 4.250 . 0 0 "[ . 1 . 2]" 1
1282 1 44 LEU QD 1 62 VAL HB . . 4.890 3.628 2.605 4.922 0.032 3 0 "[ . 1 . 2]" 1
1283 1 45 LYS H 1 45 LYS QG . . 4.630 4.025 3.758 4.209 . 0 0 "[ . 1 . 2]" 1
1284 1 45 LYS QB 1 45 LYS QD . . 2.620 2.606 2.447 2.739 0.119 20 0 "[ . 1 . 2]" 1
1285 1 45 LYS QB 1 45 LYS QE . . 4.140 2.898 1.981 3.772 . 0 0 "[ . 1 . 2]" 1
1286 1 45 LYS QG 1 46 TYR H . . 4.340 3.570 3.370 3.871 . 0 0 "[ . 1 . 2]" 1
1287 1 45 LYS QD 1 47 GLU QB . . 5.170 3.958 2.851 5.300 0.130 16 0 "[ . 1 . 2]" 1
1288 1 45 LYS QE 1 47 GLU QB . . 5.180 2.194 1.754 3.630 . 0 0 "[ . 1 . 2]" 1
1289 1 46 TYR H 1 47 GLU QG . . 5.340 5.069 4.298 5.485 0.145 13 0 "[ . 1 . 2]" 1
1290 1 46 TYR QE 1 62 VAL QG . . 4.190 2.081 1.755 2.856 . 0 0 "[ . 1 . 2]" 1
1291 1 47 GLU H 1 47 GLU QB . . 3.670 2.782 2.263 3.240 . 0 0 "[ . 1 . 2]" 1
1292 1 47 GLU H 1 47 GLU QG . . 4.160 3.125 2.290 4.217 0.057 6 0 "[ . 1 . 2]" 1
1293 1 47 GLU QB 1 47 GLU QG . . 2.210 2.043 1.962 2.089 . 0 0 "[ . 1 . 2]" 1
1294 1 47 GLU QB 1 48 ASN H . . 3.440 2.458 1.826 3.251 . 0 0 "[ . 1 . 2]" 1
1295 1 47 GLU QB 1 48 ASN QD . . 4.330 3.089 2.027 4.491 0.161 13 0 "[ . 1 . 2]" 1
1296 1 47 GLU QB 1 49 GLY H . . 5.290 4.663 3.990 5.259 . 0 0 "[ . 1 . 2]" 1
1297 1 47 GLU QG 1 59 SER QB . . 5.070 3.733 1.874 4.945 . 0 0 "[ . 1 . 2]" 1
1298 1 48 ASN H 1 48 ASN QD . . 5.340 3.503 2.037 5.195 . 0 0 "[ . 1 . 2]" 1
1299 1 48 ASN H 1 57 HIS QB . . 4.300 3.136 2.374 3.648 . 0 0 "[ . 1 . 2]" 1
1300 1 48 ASN HA 1 57 HIS QB . . 4.470 2.455 1.865 3.625 . 0 0 "[ . 1 . 2]" 1
1301 1 48 ASN HB2 1 48 ASN QD . . 3.360 2.534 2.156 3.318 . 0 0 "[ . 1 . 2]" 1
1302 1 49 GLY H 1 57 HIS QB . . 4.750 2.908 2.407 3.655 . 0 0 "[ . 1 . 2]" 1
1303 1 49 GLY H 1 58 ARG QB . . 5.030 3.959 3.075 5.119 0.089 10 0 "[ . 1 . 2]" 1
1304 1 49 GLY HA2 1 57 HIS QB . . 5.340 4.789 4.093 6.313 0.973 4 1 "[ +. 1 . 2]" 1
1305 1 49 GLY HA3 1 58 ARG QB . . 4.660 3.438 2.562 4.681 0.021 10 0 "[ . 1 . 2]" 1
1306 1 52 CYS H 1 52 CYS QB . . 3.530 2.283 2.183 2.777 . 0 0 "[ . 1 . 2]" 1
1307 1 52 CYS QB 1 55 GLY H . . 4.990 3.946 2.380 5.042 0.052 12 0 "[ . 1 . 2]" 1
1308 1 52 CYS QB 1 58 ARG H . . 4.010 3.486 3.016 3.864 . 0 0 "[ . 1 . 2]" 1
1309 1 52 CYS QB 1 58 ARG QG . . 5.100 2.858 1.847 4.131 . 0 0 "[ . 1 . 2]" 1
1310 1 53 ALA H 1 54 ASN QB . . 5.340 4.948 4.170 5.405 0.065 13 0 "[ . 1 . 2]" 1
1311 1 53 ALA MB 1 54 ASN QB . . 5.130 3.749 3.301 4.358 . 0 0 "[ . 1 . 2]" 1
1312 1 56 PRO HB2 1 57 HIS QB . . 5.340 4.486 3.440 5.432 0.092 5 0 "[ . 1 . 2]" 1
1313 1 56 PRO QG 1 57 HIS H . . 4.790 4.160 3.358 4.786 . 0 0 "[ . 1 . 2]" 1
1314 1 57 HIS H 1 57 HIS QB . . 3.230 2.614 2.376 3.336 0.106 18 0 "[ . 1 . 2]" 1
1315 1 57 HIS QB 1 57 HIS HD2 . . 3.480 2.920 2.678 3.227 . 0 0 "[ . 1 . 2]" 1
1316 1 57 HIS QB 1 58 ARG H . . 4.320 2.703 2.037 3.720 . 0 0 "[ . 1 . 2]" 1
1317 1 58 ARG H 1 58 ARG QB . . 3.690 2.399 2.121 3.445 . 0 0 "[ . 1 . 2]" 1
1318 1 58 ARG H 1 58 ARG QG . . 4.390 3.164 2.211 4.204 . 0 0 "[ . 1 . 2]" 1
1319 1 58 ARG QB 1 59 SER H . . 3.830 2.894 2.166 3.549 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ARG QB 1 81 CYS HB2 . . 5.340 4.338 3.059 4.828 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ARG QG 1 59 SER H . . 4.460 3.054 2.179 3.942 . 0 0 "[ . 1 . 2]" 1
1322 1 58 ARG QG 1 81 CYS HB2 . . 5.050 3.811 3.155 5.079 0.029 10 0 "[ . 1 . 2]" 1
1323 1 58 ARG QG 1 81 CYS HB3 . . 4.950 2.500 1.847 4.216 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ARG QG 1 83 TYR QD . . 4.370 3.662 2.691 4.466 0.096 20 0 "[ . 1 . 2]" 1
1325 1 58 ARG QG 1 83 TYR QE . . 4.930 2.419 1.934 3.779 . 0 0 "[ . 1 . 2]" 1
1326 1 61 ILE HB 1 79 GLN QE . . 5.340 4.305 3.218 5.004 . 0 0 "[ . 1 . 2]" 1
1327 1 61 ILE MG 1 79 GLN QE . . 5.340 3.104 2.113 3.934 . 0 0 "[ . 1 . 2]" 1
1328 1 61 ILE QG 1 79 GLN QE . . 4.760 4.376 3.283 4.842 0.082 11 0 "[ . 1 . 2]" 1
1329 1 62 VAL QG 1 63 THR H . . 3.690 2.857 2.600 3.021 . 0 0 "[ . 1 . 2]" 1
1330 1 62 VAL QG 1 63 THR HB . . 5.140 4.565 4.341 4.800 . 0 0 "[ . 1 . 2]" 1
1331 1 62 VAL QG 1 87 MET QB . . 5.220 2.674 2.388 3.102 . 0 0 "[ . 1 . 2]" 1
1332 1 62 VAL QG 1 87 MET HG3 . . 4.250 2.748 2.339 3.196 . 0 0 "[ . 1 . 2]" 1
1333 1 63 THR H 1 64 VAL QG . . 4.300 4.020 3.841 4.219 . 0 0 "[ . 1 . 2]" 1
1334 1 64 VAL H 1 64 VAL QG . . 3.900 2.365 1.917 2.584 . 0 0 "[ . 1 . 2]" 1
1335 1 64 VAL HA 1 87 MET QB . . 4.910 3.202 2.901 3.454 . 0 0 "[ . 1 . 2]" 1
1336 1 64 VAL QG 1 65 GLU H . . 4.010 2.678 2.519 3.435 . 0 0 "[ . 1 . 2]" 1
1337 1 64 VAL QG 1 65 GLU QG . . 5.230 3.816 3.499 4.627 . 0 0 "[ . 1 . 2]" 1
1338 1 64 VAL QG 1 66 CYS H . . 5.440 1.895 1.643 3.383 . 0 0 "[ . 1 . 2]" 1
1339 1 64 VAL QG 1 67 GLY H . . 5.440 4.528 4.138 5.522 0.082 20 0 "[ . 1 . 2]" 1
1340 1 64 VAL QG 1 87 MET HA . . 4.710 4.216 3.951 4.558 . 0 0 "[ . 1 . 2]" 1
1341 1 64 VAL QG 1 87 MET QB . . 3.520 2.197 1.944 2.584 . 0 0 "[ . 1 . 2]" 1
1342 1 64 VAL QG 1 88 LYS H . . 5.440 3.494 3.195 4.037 . 0 0 "[ . 1 . 2]" 1
1343 1 64 VAL QG 1 88 LYS HA . . 5.160 2.107 1.822 3.297 . 0 0 "[ . 1 . 2]" 1
1344 1 64 VAL QG 1 89 SER H . . 4.480 2.794 2.385 3.968 . 0 0 "[ . 1 . 2]" 1
1345 1 64 VAL QG 1 89 SER QB . . 4.500 3.368 2.247 4.071 . 0 0 "[ . 1 . 2]" 1
1346 1 64 VAL QG 1 92 ALA H . . 4.960 3.948 3.325 4.272 . 0 0 "[ . 1 . 2]" 1
1347 1 65 GLU H 1 65 GLU QB . . 3.620 2.862 2.720 3.023 . 0 0 "[ . 1 . 2]" 1
1348 1 65 GLU H 1 65 GLU QG . . 4.300 1.986 1.777 2.183 . 0 0 "[ . 1 . 2]" 1
1349 1 65 GLU QB 1 66 CYS HB3 . . 5.340 4.758 4.463 5.049 . 0 0 "[ . 1 . 2]" 1
1350 1 65 GLU QB 1 88 LYS HA . . 5.340 4.978 4.529 5.260 . 0 0 "[ . 1 . 2]" 1
1351 1 65 GLU QG 1 66 CYS H . . 4.400 3.174 2.809 3.715 . 0 0 "[ . 1 . 2]" 1
1352 1 65 GLU QG 1 88 LYS HG3 . . 4.940 4.634 4.099 5.034 0.094 19 0 "[ . 1 . 2]" 1
1353 1 65 GLU QG 1 88 LYS HD3 . . 4.300 3.156 2.215 3.588 . 0 0 "[ . 1 . 2]" 1
1354 1 68 VAL HA 1 90 PRO QB . . 4.920 2.963 2.503 3.356 . 0 0 "[ . 1 . 2]" 1
1355 1 69 GLU H 1 69 GLU QG . . 4.960 3.070 2.151 4.185 . 0 0 "[ . 1 . 2]" 1
1356 1 69 GLU HB3 1 69 GLU QG . . 2.610 2.318 2.168 2.394 . 0 0 "[ . 1 . 2]" 1
1357 1 69 GLU QG 1 70 ASN H . . 4.250 3.114 2.096 3.836 . 0 0 "[ . 1 . 2]" 1
1358 1 69 GLU QG 1 71 GLU H . . 4.840 4.407 3.682 4.904 0.064 12 0 "[ . 1 . 2]" 1
1359 1 70 ASN H 1 70 ASN QB . . 3.160 2.654 2.359 2.932 . 0 0 "[ . 1 . 2]" 1
1360 1 70 ASN QB 1 70 ASN HD22 . . 3.440 3.316 3.249 3.482 0.042 12 0 "[ . 1 . 2]" 1
1361 1 70 ASN QB 1 71 GLU H . . 4.200 3.230 2.975 3.520 . 0 0 "[ . 1 . 2]" 1
1362 1 70 ASN QB 1 87 MET ME . . 4.790 2.802 2.545 3.166 . 0 0 "[ . 1 . 2]" 1
1363 1 71 GLU H 1 71 GLU QG . . 4.440 3.234 2.391 4.238 . 0 0 "[ . 1 . 2]" 1
1364 1 71 GLU QG 1 72 ILE H . . 4.240 3.357 2.440 4.166 . 0 0 "[ . 1 . 2]" 1
1365 1 72 ILE HA 1 87 MET QB . . 4.750 3.644 3.354 3.913 . 0 0 "[ . 1 . 2]" 1
1366 1 73 VAL H 1 87 MET QB . . 4.910 4.446 4.175 4.751 . 0 0 "[ . 1 . 2]" 1
1367 1 74 SER H 1 75 VAL QG . . 5.060 3.961 3.736 4.891 . 0 0 "[ . 1 . 2]" 1
1368 1 74 SER HA 1 75 VAL QG . . 4.200 3.467 3.347 3.672 . 0 0 "[ . 1 . 2]" 1
1369 1 75 VAL H 1 75 VAL QG . . 4.240 2.821 2.378 2.920 . 0 0 "[ . 1 . 2]" 1
1370 1 75 VAL QG 1 76 LEU H . . 3.610 2.611 2.434 2.838 . 0 0 "[ . 1 . 2]" 1
1371 1 75 VAL QG 1 83 TYR HB2 . . 5.440 3.285 3.125 3.416 . 0 0 "[ . 1 . 2]" 1
1372 1 75 VAL QG 1 83 TYR HB3 . . 4.900 2.072 1.921 2.178 . 0 0 "[ . 1 . 2]" 1
1373 1 75 VAL QG 1 83 TYR QD . . 3.460 2.346 1.996 2.762 . 0 0 "[ . 1 . 2]" 1
1374 1 75 VAL QG 1 84 LEU H . . 4.980 3.489 3.289 3.633 . 0 0 "[ . 1 . 2]" 1
1375 1 75 VAL QG 1 84 LEU HB2 . . 4.530 4.211 4.014 4.350 . 0 0 "[ . 1 . 2]" 1
1376 1 75 VAL QG 1 85 ILE HA . . 4.340 2.286 2.019 2.524 . 0 0 "[ . 1 . 2]" 1
1377 1 75 VAL QG 1 85 ILE HG12 . . 4.720 2.150 1.932 3.069 . 0 0 "[ . 1 . 2]" 1
1378 1 75 VAL QG 1 86 LYS H . . 4.780 3.215 2.900 4.039 . 0 0 "[ . 1 . 2]" 1
1379 1 78 ALA H 1 79 GLN QG . . 5.160 4.231 3.512 5.283 0.123 15 0 "[ . 1 . 2]" 1
1380 1 78 ALA MB 1 79 GLN QG . . 5.160 3.451 2.520 5.089 . 0 0 "[ . 1 . 2]" 1
1381 1 79 GLN H 1 79 GLN QB . . 3.410 2.512 2.340 2.691 . 0 0 "[ . 1 . 2]" 1
1382 1 79 GLN H 1 79 GLN QG . . 3.890 3.172 2.529 4.018 0.128 8 0 "[ . 1 . 2]" 1
1383 1 79 GLN HA 1 79 GLN QG . . 3.700 2.390 2.267 2.472 . 0 0 "[ . 1 . 2]" 1
1384 1 79 GLN QB 1 80 LYS H . . 3.830 2.454 1.875 3.892 0.062 4 0 "[ . 1 . 2]" 1
1385 1 79 GLN QB 1 80 LYS QG . . 5.200 3.581 2.894 5.169 . 0 0 "[ . 1 . 2]" 1
1386 1 79 GLN QB 1 82 GLU H . . 3.630 3.328 2.834 3.725 0.095 4 0 "[ . 1 . 2]" 1
1387 1 79 GLN QG 1 80 LYS H . . 4.380 3.336 1.660 3.917 . 0 0 "[ . 1 . 2]" 1
1388 1 79 GLN QG 1 82 GLU H . . 5.180 4.881 3.805 5.256 0.076 13 0 "[ . 1 . 2]" 1
1389 1 79 GLN QE 1 82 GLU HG2 . . 5.340 3.314 2.050 4.430 . 0 0 "[ . 1 . 2]" 1
1390 1 79 GLN QE 1 82 GLU HG3 . . 5.300 4.537 3.515 5.331 0.031 8 0 "[ . 1 . 2]" 1
1391 1 86 LYS HA 1 87 MET QB . . 5.340 4.391 4.253 4.523 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 CYS 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 52 CYS SG 1 81 CYS SG . . 2.100 2.028 2.014 2.043 . 0 0 "[ . 1 . 2]" 2
2 1 52 CYS SG 1 81 CYS CB . . 3.100 3.044 2.990 3.087 . 0 0 "[ . 1 . 2]" 2
3 1 52 CYS CB 1 81 CYS SG . . 3.100 3.021 2.983 3.055 . 0 0 "[ . 1 . 2]" 2
4 1 66 CYS SG 1 93 CYS SG . . 2.100 2.011 1.999 2.027 . 0 0 "[ . 1 . 2]" 2
5 1 66 CYS SG 1 93 CYS CB . . 3.100 3.017 2.978 3.060 . 0 0 "[ . 1 . 2]" 2
6 1 66 CYS CB 1 93 CYS SG . . 3.100 3.022 2.999 3.056 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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