NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629669 |
6cjd   |
30417 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cjd
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 1024
_Distance_constraint_stats_list.Viol_count 6414
_Distance_constraint_stats_list.Viol_total 13852.543
_Distance_constraint_stats_list.Viol_max 0.474
_Distance_constraint_stats_list.Viol_rms 0.0642
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0338
_Distance_constraint_stats_list.Viol_average_violations_only 0.1080
_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 22 SER 0.327 0.050 11 0 "[ . 1 . 2]"
1 23 ASN 4.107 0.197 3 0 "[ . 1 . 2]"
1 24 GLY 0.129 0.027 20 0 "[ . 1 . 2]"
1 25 GLY 1.212 0.241 19 0 "[ . 1 . 2]"
1 26 ASP 7.129 0.205 8 0 "[ . 1 . 2]"
1 27 VAL 7.840 0.158 12 0 "[ . 1 . 2]"
1 28 ASP 3.871 0.241 19 0 "[ . 1 . 2]"
1 29 LEU 14.783 0.242 3 0 "[ . 1 . 2]"
1 30 TYR 25.927 0.269 18 0 "[ . 1 . 2]"
1 31 ASP 13.482 0.257 12 0 "[ . 1 . 2]"
1 32 ALA 8.568 0.158 12 0 "[ . 1 . 2]"
1 33 PHE 27.843 0.269 18 0 "[ . 1 . 2]"
1 34 TYR 27.394 0.285 1 0 "[ . 1 . 2]"
1 35 GLN 7.201 0.170 8 0 "[ . 1 . 2]"
1 36 ARG 8.518 0.183 14 0 "[ . 1 . 2]"
1 37 LEU 21.121 0.260 18 0 "[ . 1 . 2]"
1 38 LEU 10.290 0.229 18 0 "[ . 1 . 2]"
1 39 ALA 1.913 0.202 8 0 "[ . 1 . 2]"
1 40 LEU 16.182 0.384 12 0 "[ . 1 . 2]"
1 41 PRO 9.770 0.369 5 0 "[ . 1 . 2]"
1 42 GLU 2.669 0.195 16 0 "[ . 1 . 2]"
1 43 SER 4.595 0.257 16 0 "[ . 1 . 2]"
1 44 ALA 8.676 0.257 16 0 "[ . 1 . 2]"
1 45 SER 5.800 0.249 19 0 "[ . 1 . 2]"
1 46 SER 7.646 0.269 16 0 "[ . 1 . 2]"
1 47 GLU 8.236 0.269 16 0 "[ . 1 . 2]"
1 48 THR 5.848 0.220 16 0 "[ . 1 . 2]"
1 50 LYS 8.799 0.265 5 0 "[ . 1 . 2]"
1 51 ASP 6.666 0.216 12 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 15.689 0.204 4 0 "[ . 1 . 2]"
1 54 TYR 19.180 0.216 12 0 "[ . 1 . 2]"
1 55 GLN 7.440 0.151 20 0 "[ . 1 . 2]"
1 56 GLU 5.043 0.174 2 0 "[ . 1 . 2]"
1 57 MET 11.324 0.404 15 0 "[ . 1 . 2]"
1 58 ASN 5.668 0.185 2 0 "[ . 1 . 2]"
1 59 ALA 14.648 0.365 14 0 "[ . 1 . 2]"
1 60 PHE 23.644 0.454 18 0 "[ . 1 . 2]"
1 61 LYS 31.983 0.474 20 0 "[ . 1 . 2]"
1 62 ASP 12.668 0.369 14 0 "[ . 1 . 2]"
1 63 PRO 6.581 0.369 14 0 "[ . 1 . 2]"
1 64 ASN 6.455 0.151 14 0 "[ . 1 . 2]"
1 65 SER 5.941 0.262 9 0 "[ . 1 . 2]"
1 66 GLY 7.216 0.271 13 0 "[ . 1 . 2]"
1 67 ASP 5.772 0.271 13 0 "[ . 1 . 2]"
1 68 SER 13.424 0.408 16 0 "[ . 1 . 2]"
1 69 ALA 10.017 0.217 7 0 "[ . 1 . 2]"
1 70 PHE 9.885 0.326 15 0 "[ . 1 . 2]"
1 71 VAL 12.852 0.445 19 0 "[ . 1 . 2]"
1 72 SER 4.855 0.207 6 0 "[ . 1 . 2]"
1 73 PHE 6.752 0.247 9 0 "[ . 1 . 2]"
1 74 GLU 9.337 0.279 4 0 "[ . 1 . 2]"
1 75 GLN 12.210 0.273 10 0 "[ . 1 . 2]"
1 76 GLN 12.873 0.273 10 0 "[ . 1 . 2]"
1 77 THR 25.533 0.405 16 0 "[ . 1 . 2]"
1 78 ALA 15.338 0.181 4 0 "[ . 1 . 2]"
1 79 MET 30.928 0.373 11 0 "[ . 1 . 2]"
1 80 LEU 27.682 0.405 16 0 "[ . 1 . 2]"
1 81 GLN 5.142 0.231 2 0 "[ . 1 . 2]"
1 82 ASN 10.140 0.221 14 0 "[ . 1 . 2]"
1 83 MET 23.935 0.285 2 0 "[ . 1 . 2]"
1 84 LEU 15.963 0.245 14 0 "[ . 1 . 2]"
1 85 ALA 5.809 0.147 5 0 "[ . 1 . 2]"
1 86 LYS 7.573 0.207 3 0 "[ . 1 . 2]"
1 87 VAL 12.663 0.191 10 0 "[ . 1 . 2]"
1 88 GLU 13.225 0.269 5 0 "[ . 1 . 2]"
1 89 PRO 8.000 0.269 5 0 "[ . 1 . 2]"
1 90 GLY 3.660 0.151 17 0 "[ . 1 . 2]"
1 91 THR 11.903 0.256 5 0 "[ . 1 . 2]"
1 92 HIS 8.564 0.265 3 0 "[ . 1 . 2]"
1 93 LEU 13.934 0.265 3 0 "[ . 1 . 2]"
1 94 TYR 18.061 0.199 16 0 "[ . 1 . 2]"
1 95 GLU 9.951 0.197 9 0 "[ . 1 . 2]"
1 96 ALA 12.935 0.214 2 0 "[ . 1 . 2]"
1 97 LEU 13.570 0.214 2 0 "[ . 1 . 2]"
1 98 ASN 6.076 0.144 18 0 "[ . 1 . 2]"
1 99 GLY 3.718 0.112 5 0 "[ . 1 . 2]"
1 100 VAL 16.503 0.177 11 0 "[ . 1 . 2]"
1 101 LEU 5.952 0.161 8 0 "[ . 1 . 2]"
1 102 VAL 14.449 0.266 11 0 "[ . 1 . 2]"
1 103 GLY 1.912 0.095 2 0 "[ . 1 . 2]"
1 104 SER 7.144 0.175 13 0 "[ . 1 . 2]"
1 105 MET 1.734 0.100 19 0 "[ . 1 . 2]"
1 106 ASN 4.066 0.149 12 0 "[ . 1 . 2]"
1 107 ALA 4.815 0.158 3 0 "[ . 1 . 2]"
1 108 GLN 4.229 0.172 18 0 "[ . 1 . 2]"
1 109 SER 2.894 0.142 11 0 "[ . 1 . 2]"
1 110 GLN 0.958 0.233 11 0 "[ . 1 . 2]"
1 111 MET 3.117 0.279 14 0 "[ . 1 . 2]"
1 112 THR 9.593 0.227 19 0 "[ . 1 . 2]"
1 113 SER 11.044 0.243 20 0 "[ . 1 . 2]"
1 114 TRP 10.669 0.212 20 0 "[ . 1 . 2]"
1 115 MET 5.372 0.291 19 0 "[ . 1 . 2]"
1 116 GLN 5.099 0.251 3 0 "[ . 1 . 2]"
1 117 GLU 6.550 0.250 15 0 "[ . 1 . 2]"
1 118 ILE 11.493 0.331 1 0 "[ . 1 . 2]"
1 119 ILE 11.231 0.270 3 0 "[ . 1 . 2]"
1 120 LEU 3.091 0.241 19 0 "[ . 1 . 2]"
1 121 SER 3.183 0.220 2 0 "[ . 1 . 2]"
1 122 GLY 0.294 0.069 7 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLU 3.895 0.242 18 0 "[ . 1 . 2]"
1 125 ASN 2.890 0.225 3 0 "[ . 1 . 2]"
1 126 LYS 2.768 0.230 18 0 "[ . 1 . 2]"
1 127 GLU 3.055 0.238 16 0 "[ . 1 . 2]"
1 128 ALA 3.138 0.228 13 0 "[ . 1 . 2]"
1 129 ILE 10.277 0.335 3 0 "[ . 1 . 2]"
1 130 ASP 7.465 0.243 20 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 22 SER HA 1 22 SER QB . . 2.700 2.363 2.177 2.456 . 0 0 "[ . 1 . 2]" 1
2 1 22 SER HA 1 23 ASN H . . 3.500 2.483 2.211 3.511 0.011 20 0 "[ . 1 . 2]" 1
3 1 22 SER QB 1 23 ASN H . . 5.500 2.914 2.186 3.666 . 0 0 "[ . 1 . 2]" 1
4 1 22 SER H 1 22 SER QB . . 2.700 2.656 2.494 2.750 0.050 11 0 "[ . 1 . 2]" 1
5 1 23 ASN QB 1 24 GLY H . . 3.500 3.302 2.476 3.527 0.027 20 0 "[ . 1 . 2]" 1
6 1 23 ASN HA 1 24 GLY H . . 2.700 2.378 2.156 2.565 . 0 0 "[ . 1 . 2]" 1
7 1 23 ASN H 1 23 ASN HA . . 2.700 2.865 2.788 2.897 0.197 3 0 "[ . 1 . 2]" 1
8 1 23 ASN H 1 23 ASN QB . . 2.700 2.637 2.159 2.863 0.163 3 0 "[ . 1 . 2]" 1
9 1 23 ASN HA 1 23 ASN QB . . 2.700 2.384 2.172 2.438 . 0 0 "[ . 1 . 2]" 1
10 1 24 GLY H 1 24 GLY QA . . 2.700 2.440 2.206 2.535 . 0 0 "[ . 1 . 2]" 1
11 1 25 GLY H 1 25 GLY QA . . 2.700 2.422 2.197 2.535 . 0 0 "[ . 1 . 2]" 1
12 1 25 GLY QA 1 28 ASP H . . 2.700 2.759 2.673 2.941 0.241 19 0 "[ . 1 . 2]" 1
13 1 26 ASP H 1 26 ASP HA . . 2.700 2.893 2.877 2.905 0.205 8 0 "[ . 1 . 2]" 1
14 1 26 ASP H 1 26 ASP QB . . 2.700 2.269 2.178 2.445 . 0 0 "[ . 1 . 2]" 1
15 1 26 ASP HA 1 26 ASP QB . . 2.700 2.382 2.361 2.417 . 0 0 "[ . 1 . 2]" 1
16 1 26 ASP QB 1 27 VAL H . . 2.700 2.498 2.401 2.647 . 0 0 "[ . 1 . 2]" 1
17 1 26 ASP H 1 27 VAL QG . . 3.500 3.598 3.567 3.615 0.115 6 0 "[ . 1 . 2]" 1
18 1 26 ASP HA 1 29 LEU MD2 . . 5.500 5.492 5.325 5.555 0.055 3 0 "[ . 1 . 2]" 1
19 1 26 ASP HA 1 27 VAL MG2 . . 5.500 5.042 5.006 5.124 . 0 0 "[ . 1 . 2]" 1
20 1 26 ASP HA 1 29 LEU HB3 . . 3.500 3.380 2.927 3.520 0.020 19 0 "[ . 1 . 2]" 1
21 1 26 ASP HA 1 29 LEU HB2 . . 5.500 3.425 3.266 3.722 . 0 0 "[ . 1 . 2]" 1
22 1 26 ASP HA 1 29 LEU H . . 3.500 3.536 3.432 3.623 0.123 17 0 "[ . 1 . 2]" 1
23 1 27 VAL H 1 27 VAL HB . . 2.700 2.464 2.418 2.495 . 0 0 "[ . 1 . 2]" 1
24 1 27 VAL H 1 27 VAL HA . . 2.700 2.776 2.744 2.798 0.098 12 0 "[ . 1 . 2]" 1
25 1 27 VAL H 1 27 VAL QG . . 2.700 1.971 1.936 2.040 . 0 0 "[ . 1 . 2]" 1
26 1 27 VAL QG 1 28 ASP H . . 2.700 2.785 2.757 2.800 0.100 13 0 "[ . 1 . 2]" 1
27 1 27 VAL HB 1 28 ASP H . . 2.700 2.137 2.051 2.278 . 0 0 "[ . 1 . 2]" 1
28 1 27 VAL QG 1 31 ASP H . . 5.500 3.759 3.564 3.971 . 0 0 "[ . 1 . 2]" 1
29 1 27 VAL QG 1 32 ALA H . . 5.500 5.079 5.019 5.160 . 0 0 "[ . 1 . 2]" 1
30 1 27 VAL HA 1 27 VAL MG1 . . 2.700 2.472 2.451 2.516 . 0 0 "[ . 1 . 2]" 1
31 1 27 VAL HA 1 27 VAL MG2 . . 2.700 2.383 2.348 2.400 . 0 0 "[ . 1 . 2]" 1
32 1 27 VAL H 1 28 ASP H . . 3.500 2.936 2.854 3.067 . 0 0 "[ . 1 . 2]" 1
33 1 27 VAL MG1 1 32 ALA MB . . 5.500 5.633 5.609 5.658 0.158 12 0 "[ . 1 . 2]" 1
34 1 27 VAL HA 1 30 TYR H . . 5.500 3.821 3.495 4.097 . 0 0 "[ . 1 . 2]" 1
35 1 28 ASP H 1 28 ASP HB2 . . 2.700 2.397 2.351 2.478 . 0 0 "[ . 1 . 2]" 1
36 1 28 ASP H 1 28 ASP HB3 . . 2.700 2.633 2.516 2.702 0.002 19 0 "[ . 1 . 2]" 1
37 1 28 ASP H 1 28 ASP HA . . 2.700 2.748 2.738 2.766 0.066 18 0 "[ . 1 . 2]" 1
38 1 28 ASP HB3 1 29 LEU H . . 5.500 2.559 2.494 2.691 . 0 0 "[ . 1 . 2]" 1
39 1 28 ASP HA 1 28 ASP HB2 . . 2.700 2.476 2.428 2.498 . 0 0 "[ . 1 . 2]" 1
40 1 28 ASP HA 1 31 ASP QB . . 5.500 3.352 2.935 3.550 . 0 0 "[ . 1 . 2]" 1
41 1 28 ASP H 1 29 LEU H . . 3.500 3.086 3.007 3.159 . 0 0 "[ . 1 . 2]" 1
42 1 28 ASP HA 1 31 ASP H . . 5.500 4.219 4.008 4.369 . 0 0 "[ . 1 . 2]" 1
43 1 29 LEU HA 1 29 LEU HB2 . . 2.700 2.562 2.483 2.612 . 0 0 "[ . 1 . 2]" 1
44 1 29 LEU HA 1 29 LEU MD1 . . 3.500 3.706 3.465 3.742 0.242 3 0 "[ . 1 . 2]" 1
45 1 29 LEU HA 1 29 LEU MD2 . . 3.500 2.330 2.110 2.450 . 0 0 "[ . 1 . 2]" 1
46 1 29 LEU HB3 1 30 TYR HA . . 5.500 3.942 3.876 4.123 . 0 0 "[ . 1 . 2]" 1
47 1 29 LEU HA 1 32 ALA MB . . 3.500 2.989 2.859 3.069 . 0 0 "[ . 1 . 2]" 1
48 1 29 LEU QB 1 32 ALA MB . . 5.500 4.655 4.562 4.723 . 0 0 "[ . 1 . 2]" 1
49 1 29 LEU MD2 1 32 ALA MB . . 3.500 3.536 3.514 3.563 0.063 11 0 "[ . 1 . 2]" 1
50 1 29 LEU MD2 1 69 ALA MB . . 2.700 2.320 2.093 2.432 . 0 0 "[ . 1 . 2]" 1
51 1 29 LEU MD2 1 69 ALA HA . . 5.500 3.498 2.225 3.938 . 0 0 "[ . 1 . 2]" 1
52 1 29 LEU MD1 1 69 ALA MB . . 2.700 2.763 2.723 2.791 0.091 15 0 "[ . 1 . 2]" 1
53 1 29 LEU MD1 1 69 ALA HA . . 5.500 2.688 2.164 3.492 . 0 0 "[ . 1 . 2]" 1
54 1 29 LEU H 1 29 LEU HA . . 2.700 2.796 2.772 2.808 0.108 17 0 "[ . 1 . 2]" 1
55 1 29 LEU H 1 29 LEU HB2 . . 2.700 2.217 2.140 2.370 . 0 0 "[ . 1 . 2]" 1
56 1 29 LEU H 1 29 LEU HB3 . . 2.700 2.780 2.630 2.837 0.137 14 0 "[ . 1 . 2]" 1
57 1 29 LEU HA 1 33 PHE H . . 5.500 3.961 3.888 4.153 . 0 0 "[ . 1 . 2]" 1
58 1 29 LEU MD2 1 33 PHE H . . 5.500 3.323 3.198 3.631 . 0 0 "[ . 1 . 2]" 1
59 1 29 LEU HB3 1 30 TYR H . . 3.500 2.372 2.299 2.480 . 0 0 "[ . 1 . 2]" 1
60 1 29 LEU HB2 1 30 TYR H . . 3.500 3.582 3.540 3.673 0.173 18 0 "[ . 1 . 2]" 1
61 1 29 LEU H 1 29 LEU MD1 . . 5.500 4.234 4.169 4.381 . 0 0 "[ . 1 . 2]" 1
62 1 29 LEU MD1 1 30 TYR HH . . 5.500 5.253 3.304 5.648 0.148 14 0 "[ . 1 . 2]" 1
63 1 29 LEU MD2 1 30 TYR HH . . 5.500 5.545 5.443 5.645 0.145 4 0 "[ . 1 . 2]" 1
64 1 29 LEU MD2 1 60 PHE QR . . 5.500 2.506 1.929 2.759 . 0 0 "[ . 1 . 2]" 1
65 1 29 LEU MD2 1 62 ASP QB . . 5.500 3.818 2.085 4.355 . 0 0 "[ . 1 . 2]" 1
66 1 29 LEU MD2 1 63 PRO QG . . 5.500 5.339 4.651 5.561 0.061 4 0 "[ . 1 . 2]" 1
67 1 29 LEU MD2 1 63 PRO QD . . 5.500 4.425 3.804 5.561 0.061 14 0 "[ . 1 . 2]" 1
68 1 29 LEU MD2 1 62 ASP HA . . 5.500 4.217 3.025 5.703 0.203 14 0 "[ . 1 . 2]" 1
69 1 30 TYR H 1 31 ASP H . . 2.700 2.890 2.844 2.906 0.206 20 0 "[ . 1 . 2]" 1
70 1 30 TYR H 1 31 ASP QB . . 5.500 4.603 4.515 4.652 . 0 0 "[ . 1 . 2]" 1
71 1 30 TYR HB3 1 32 ALA H . . 5.500 5.326 5.262 5.396 . 0 0 "[ . 1 . 2]" 1
72 1 30 TYR HB3 1 31 ASP H . . 2.700 2.840 2.773 2.900 0.200 17 0 "[ . 1 . 2]" 1
73 1 30 TYR HB2 1 31 ASP H . . 3.500 2.624 2.492 2.872 . 0 0 "[ . 1 . 2]" 1
74 1 30 TYR H 1 30 TYR HB2 . . 2.700 2.187 2.058 2.263 . 0 0 "[ . 1 . 2]" 1
75 1 30 TYR H 1 30 TYR HB3 . . 3.500 3.463 3.337 3.516 0.016 18 0 "[ . 1 . 2]" 1
76 1 30 TYR H 1 30 TYR HA . . 2.700 2.837 2.820 2.855 0.155 14 0 "[ . 1 . 2]" 1
77 1 30 TYR HA 1 30 TYR QB . . 2.700 2.527 2.503 2.565 . 0 0 "[ . 1 . 2]" 1
78 1 30 TYR HH 1 78 ALA MB . . 5.500 4.404 4.200 4.778 . 0 0 "[ . 1 . 2]" 1
79 1 30 TYR HA 1 33 PHE QB . . 3.500 2.665 2.451 2.786 . 0 0 "[ . 1 . 2]" 1
80 1 30 TYR HA 1 33 PHE QD . . 5.500 3.628 3.487 3.741 . 0 0 "[ . 1 . 2]" 1
81 1 30 TYR HA 1 33 PHE QE . . 5.500 5.713 5.635 5.769 0.269 18 0 "[ . 1 . 2]" 1
82 1 30 TYR HA 1 83 MET ME . . 3.500 3.236 3.072 3.536 0.036 14 0 "[ . 1 . 2]" 1
83 1 30 TYR QB 1 83 MET ME . . 3.500 3.570 3.273 3.623 0.123 6 0 "[ . 1 . 2]" 1
84 1 30 TYR HH 1 83 MET ME . . 3.500 3.600 3.128 3.702 0.202 5 0 "[ . 1 . 2]" 1
85 1 30 TYR QD 1 83 MET ME . . 3.500 2.161 1.938 3.214 . 0 0 "[ . 1 . 2]" 1
86 1 30 TYR QE 1 83 MET ME . . 3.500 2.226 2.027 3.135 . 0 0 "[ . 1 . 2]" 1
87 1 30 TYR H 1 30 TYR QR . . 3.500 3.005 2.710 3.507 0.007 14 0 "[ . 1 . 2]" 1
88 1 30 TYR HH 1 79 MET ME . . 3.500 3.638 3.546 3.728 0.228 11 0 "[ . 1 . 2]" 1
89 1 30 TYR QE 1 79 MET ME . . 3.500 3.455 2.895 3.578 0.078 11 0 "[ . 1 . 2]" 1
90 1 30 TYR QD 1 79 MET ME . . 5.500 4.823 4.349 5.127 . 0 0 "[ . 1 . 2]" 1
91 1 30 TYR HA 1 32 ALA H . . 5.500 4.611 4.472 4.702 . 0 0 "[ . 1 . 2]" 1
92 1 30 TYR HH 1 82 ASN QB . . 3.500 3.573 3.476 3.721 0.221 14 0 "[ . 1 . 2]" 1
93 1 30 TYR QE 1 82 ASN QB . . 5.500 3.220 2.777 4.094 . 0 0 "[ . 1 . 2]" 1
94 1 30 TYR QD 1 82 ASN QB . . 5.500 4.674 4.113 5.514 0.014 12 0 "[ . 1 . 2]" 1
95 1 31 ASP H 1 31 ASP QB . . 2.700 2.255 2.231 2.286 . 0 0 "[ . 1 . 2]" 1
96 1 31 ASP H 1 31 ASP HA . . 2.700 2.846 2.802 2.873 0.173 19 0 "[ . 1 . 2]" 1
97 1 31 ASP H 1 32 ALA MB . . 5.500 4.477 4.409 4.537 . 0 0 "[ . 1 . 2]" 1
98 1 31 ASP QB 1 32 ALA H . . 3.500 2.709 2.648 2.809 . 0 0 "[ . 1 . 2]" 1
99 1 31 ASP HA 1 34 TYR H . . 5.500 3.584 3.268 3.832 . 0 0 "[ . 1 . 2]" 1
100 1 31 ASP HA 1 35 GLN H . . 5.500 3.987 3.916 4.094 . 0 0 "[ . 1 . 2]" 1
101 1 31 ASP HA 1 34 TYR QB . . 3.500 2.319 2.108 2.462 . 0 0 "[ . 1 . 2]" 1
102 1 31 ASP HA 1 34 TYR QD . . 3.500 3.699 3.640 3.757 0.257 12 0 "[ . 1 . 2]" 1
103 1 32 ALA H 1 33 PHE H . . 2.700 2.750 2.731 2.768 0.068 12 0 "[ . 1 . 2]" 1
104 1 32 ALA HA 1 34 TYR H . . 5.500 4.672 4.491 4.857 . 0 0 "[ . 1 . 2]" 1
105 1 32 ALA HA 1 35 GLN H . . 5.500 3.517 3.390 3.670 . 0 0 "[ . 1 . 2]" 1
106 1 32 ALA MB 1 33 PHE H . . 2.700 2.271 2.204 2.316 . 0 0 "[ . 1 . 2]" 1
107 1 32 ALA H 1 32 ALA MB . . 2.700 2.134 2.111 2.157 . 0 0 "[ . 1 . 2]" 1
108 1 32 ALA H 1 32 ALA HA . . 2.700 2.823 2.815 2.829 0.129 13 0 "[ . 1 . 2]" 1
109 1 32 ALA HA 1 35 GLN QG . . 3.500 3.321 2.171 3.552 0.052 11 0 "[ . 1 . 2]" 1
110 1 32 ALA HA 1 35 GLN QB . . 5.500 2.909 2.624 4.137 . 0 0 "[ . 1 . 2]" 1
111 1 32 ALA MB 1 35 GLN QG . . 5.500 4.611 3.641 4.892 . 0 0 "[ . 1 . 2]" 1
112 1 32 ALA MB 1 60 PHE QR . . 3.500 2.514 2.199 3.134 . 0 0 "[ . 1 . 2]" 1
113 1 32 ALA MB 1 33 PHE QB . . 3.500 3.565 3.535 3.600 0.100 15 0 "[ . 1 . 2]" 1
114 1 33 PHE H 1 33 PHE HB2 . . 2.700 2.417 2.351 2.480 . 0 0 "[ . 1 . 2]" 1
115 1 33 PHE H 1 33 PHE HB3 . . 3.500 2.325 2.298 2.362 . 0 0 "[ . 1 . 2]" 1
116 1 33 PHE H 1 33 PHE HA . . 2.700 2.805 2.797 2.816 0.116 3 0 "[ . 1 . 2]" 1
117 1 33 PHE HA 1 33 PHE HB2 . . 2.700 2.365 2.348 2.389 . 0 0 "[ . 1 . 2]" 1
118 1 33 PHE HA 1 33 PHE HB3 . . 2.700 2.953 2.947 2.958 0.258 1 0 "[ . 1 . 2]" 1
119 1 33 PHE H 1 34 TYR H . . 2.700 2.719 2.704 2.728 0.028 17 0 "[ . 1 . 2]" 1
120 1 33 PHE HB3 1 34 TYR H . . 3.500 2.347 2.288 2.412 . 0 0 "[ . 1 . 2]" 1
121 1 33 PHE HB2 1 34 TYR H . . 3.500 3.728 3.706 3.765 0.265 6 0 "[ . 1 . 2]" 1
122 1 33 PHE H 1 34 TYR QB . . 5.500 4.280 4.215 4.379 . 0 0 "[ . 1 . 2]" 1
123 1 33 PHE HA 1 36 ARG H . . 5.500 3.118 3.025 3.344 . 0 0 "[ . 1 . 2]" 1
124 1 33 PHE HA 1 37 LEU MD2 . . 5.500 5.089 4.774 5.322 . 0 0 "[ . 1 . 2]" 1
125 1 33 PHE H 1 33 PHE QD . . 5.500 4.099 4.073 4.128 . 0 0 "[ . 1 . 2]" 1
126 1 33 PHE HA 1 33 PHE QD . . 3.500 2.387 2.284 2.488 . 0 0 "[ . 1 . 2]" 1
127 1 33 PHE HA 1 33 PHE QE . . 5.500 4.329 4.213 4.398 . 0 0 "[ . 1 . 2]" 1
128 1 33 PHE HB2 1 33 PHE QD . . 2.700 2.645 2.602 2.717 0.017 12 0 "[ . 1 . 2]" 1
129 1 33 PHE HB3 1 33 PHE QD . . 2.700 2.333 2.293 2.367 . 0 0 "[ . 1 . 2]" 1
130 1 33 PHE QD 1 37 LEU HG . . 5.500 3.992 3.790 4.147 . 0 0 "[ . 1 . 2]" 1
131 1 33 PHE QD 1 37 LEU MD1 . . 5.500 3.939 3.544 4.117 . 0 0 "[ . 1 . 2]" 1
132 1 33 PHE QD 1 37 LEU MD2 . . 5.500 3.739 3.604 3.847 . 0 0 "[ . 1 . 2]" 1
133 1 33 PHE QE 1 53 ILE MD . . 5.500 4.983 4.422 5.454 . 0 0 "[ . 1 . 2]" 1
134 1 33 PHE QD 1 34 TYR QD . . 3.500 3.681 3.636 3.723 0.223 18 0 "[ . 1 . 2]" 1
135 1 33 PHE HA 1 36 ARG QB . . 3.500 2.708 2.406 2.957 . 0 0 "[ . 1 . 2]" 1
136 1 33 PHE QE 1 36 ARG QB . . 3.500 3.629 3.595 3.683 0.183 14 0 "[ . 1 . 2]" 1
137 1 33 PHE HA 1 83 MET ME . . 5.500 5.581 5.539 5.616 0.116 4 0 "[ . 1 . 2]" 1
138 1 33 PHE HB2 1 83 MET ME . . 5.500 4.750 4.689 4.837 . 0 0 "[ . 1 . 2]" 1
139 1 33 PHE HB3 1 83 MET ME . . 5.500 3.505 3.424 3.635 . 0 0 "[ . 1 . 2]" 1
140 1 33 PHE QD 1 83 MET ME . . 3.500 2.027 1.916 2.126 . 0 0 "[ . 1 . 2]" 1
141 1 33 PHE HA 1 36 ARG QG . . 5.500 2.470 2.072 3.738 . 0 0 "[ . 1 . 2]" 1
142 1 33 PHE HA 1 60 PHE QR . . 5.500 3.257 2.786 4.164 . 0 0 "[ . 1 . 2]" 1
143 1 33 PHE QD 1 79 MET ME . . 3.500 3.568 3.520 3.646 0.146 11 0 "[ . 1 . 2]" 1
144 1 33 PHE QE 1 79 MET ME . . 3.500 2.663 2.255 2.910 . 0 0 "[ . 1 . 2]" 1
145 1 34 TYR H 1 35 GLN H . . 2.700 2.839 2.819 2.861 0.161 16 0 "[ . 1 . 2]" 1
146 1 34 TYR HA 1 37 LEU H . . 5.500 3.263 3.116 3.341 . 0 0 "[ . 1 . 2]" 1
147 1 34 TYR H 1 34 TYR QB . . 2.700 2.104 2.064 2.153 . 0 0 "[ . 1 . 2]" 1
148 1 34 TYR H 1 34 TYR HA . . 2.700 2.732 2.717 2.758 0.058 12 0 "[ . 1 . 2]" 1
149 1 34 TYR HA 1 34 TYR QB . . 2.700 2.442 2.408 2.501 . 0 0 "[ . 1 . 2]" 1
150 1 34 TYR H 1 34 TYR QD . . 3.500 3.736 3.641 3.785 0.285 1 0 "[ . 1 . 2]" 1
151 1 34 TYR HA 1 37 LEU HB2 . . 5.500 3.406 2.872 3.594 . 0 0 "[ . 1 . 2]" 1
152 1 34 TYR HA 1 37 LEU HB3 . . 5.500 4.605 4.173 4.740 . 0 0 "[ . 1 . 2]" 1
153 1 34 TYR HA 1 37 LEU HG . . 3.500 2.114 2.033 2.165 . 0 0 "[ . 1 . 2]" 1
154 1 34 TYR HA 1 34 TYR QD . . 2.700 2.168 2.114 2.273 . 0 0 "[ . 1 . 2]" 1
155 1 34 TYR HA 1 34 TYR QE . . 5.500 4.114 4.049 4.169 . 0 0 "[ . 1 . 2]" 1
156 1 34 TYR HA 1 37 LEU MD2 . . 3.500 3.651 3.610 3.712 0.212 11 0 "[ . 1 . 2]" 1
157 1 34 TYR HA 1 37 LEU MD1 . . 2.700 2.508 2.403 2.633 . 0 0 "[ . 1 . 2]" 1
158 1 34 TYR QE 1 38 LEU MD1 . . 3.500 3.186 2.925 3.511 0.011 6 0 "[ . 1 . 2]" 1
159 1 34 TYR QD 1 38 LEU MD1 . . 5.500 3.612 3.302 3.891 . 0 0 "[ . 1 . 2]" 1
160 1 34 TYR HA 1 83 MET ME . . 3.500 3.675 3.597 3.738 0.238 15 0 "[ . 1 . 2]" 1
161 1 34 TYR QB 1 83 MET ME . . 3.500 3.049 2.820 3.350 . 0 0 "[ . 1 . 2]" 1
162 1 34 TYR QD 1 83 MET ME . . 3.500 2.663 2.245 2.943 . 0 0 "[ . 1 . 2]" 1
163 1 34 TYR QE 1 83 MET ME . . 5.500 4.181 3.669 4.486 . 0 0 "[ . 1 . 2]" 1
164 1 34 TYR QD 1 86 LYS QE . . 5.500 3.715 2.799 4.418 . 0 0 "[ . 1 . 2]" 1
165 1 34 TYR QE 1 86 LYS QE . . 5.500 4.043 2.705 5.008 . 0 0 "[ . 1 . 2]" 1
166 1 34 TYR QB 1 35 GLN H . . 2.700 2.603 2.534 2.700 . 0 0 "[ . 1 . 2]" 1
167 1 34 TYR QE 1 38 LEU MD2 . . 3.500 3.011 2.587 3.386 . 0 0 "[ . 1 . 2]" 1
168 1 34 TYR QD 1 38 LEU MD2 . . 3.500 3.385 3.097 3.550 0.050 6 0 "[ . 1 . 2]" 1
169 1 34 TYR QE 1 86 LYS QB . . 3.500 2.525 2.313 2.838 . 0 0 "[ . 1 . 2]" 1
170 1 34 TYR QD 1 86 LYS QB . . 5.500 3.931 3.660 4.555 . 0 0 "[ . 1 . 2]" 1
171 1 35 GLN H 1 35 GLN QB . . 2.700 2.447 2.059 2.719 0.019 16 0 "[ . 1 . 2]" 1
172 1 35 GLN H 1 35 GLN HA . . 2.700 2.862 2.841 2.870 0.170 8 0 "[ . 1 . 2]" 1
173 1 35 GLN HA 1 35 GLN QB . . 2.700 2.373 2.095 2.461 . 0 0 "[ . 1 . 2]" 1
174 1 35 GLN HA 1 35 GLN QG . . 3.500 2.817 2.341 3.393 . 0 0 "[ . 1 . 2]" 1
175 1 35 GLN HA 1 38 LEU QB . . 5.500 2.316 2.178 2.665 . 0 0 "[ . 1 . 2]" 1
176 1 35 GLN HA 1 38 LEU MD1 . . 5.500 3.824 3.699 4.019 . 0 0 "[ . 1 . 2]" 1
177 1 35 GLN HA 1 38 LEU MD2 . . 5.500 3.363 3.024 3.779 . 0 0 "[ . 1 . 2]" 1
178 1 35 GLN H 1 36 ARG H . . 2.700 2.726 2.704 2.751 0.051 3 0 "[ . 1 . 2]" 1
179 1 35 GLN H 1 35 GLN QG . . 3.500 2.609 2.425 3.550 0.050 13 0 "[ . 1 . 2]" 1
180 1 35 GLN H 1 38 LEU MD2 . . 5.500 4.993 4.817 5.166 . 0 0 "[ . 1 . 2]" 1
181 1 35 GLN H 1 36 ARG QB . . 5.500 4.968 4.770 5.030 . 0 0 "[ . 1 . 2]" 1
182 1 35 GLN H 1 36 ARG QG . . 5.500 4.447 4.188 4.865 . 0 0 "[ . 1 . 2]" 1
183 1 35 GLN QG 1 36 ARG H . . 5.500 4.259 2.621 4.543 . 0 0 "[ . 1 . 2]" 1
184 1 35 GLN QB 1 36 ARG H . . 3.500 2.990 2.804 3.663 0.163 14 0 "[ . 1 . 2]" 1
185 1 35 GLN HA 1 38 LEU H . . 5.500 3.371 3.222 3.718 . 0 0 "[ . 1 . 2]" 1
186 1 35 GLN HA 1 38 LEU HG . . 5.500 5.256 5.104 5.522 0.022 11 0 "[ . 1 . 2]" 1
187 1 36 ARG H 1 36 ARG QB . . 2.700 2.676 2.482 2.742 0.042 12 0 "[ . 1 . 2]" 1
188 1 36 ARG H 1 36 ARG HA . . 2.700 2.855 2.843 2.868 0.168 11 0 "[ . 1 . 2]" 1
189 1 36 ARG HA 1 36 ARG QB . . 2.700 2.342 2.297 2.422 . 0 0 "[ . 1 . 2]" 1
190 1 36 ARG HA 1 36 ARG QG . . 3.500 2.959 2.340 3.186 . 0 0 "[ . 1 . 2]" 1
191 1 36 ARG QB 1 36 ARG QD . . 3.500 2.567 2.180 2.968 . 0 0 "[ . 1 . 2]" 1
192 1 36 ARG H 1 37 LEU H . . 2.700 2.768 2.728 2.800 0.100 18 0 "[ . 1 . 2]" 1
193 1 36 ARG H 1 36 ARG QD . . 3.500 3.265 2.935 3.626 0.126 18 0 "[ . 1 . 2]" 1
194 1 36 ARG H 1 36 ARG QG . . 3.500 2.318 2.108 2.601 . 0 0 "[ . 1 . 2]" 1
195 1 36 ARG H 1 37 LEU MD1 . . 5.500 5.506 5.446 5.558 0.058 14 0 "[ . 1 . 2]" 1
196 1 36 ARG H 1 37 LEU MD2 . . 5.500 5.059 4.788 5.336 . 0 0 "[ . 1 . 2]" 1
197 1 36 ARG QB 1 37 LEU H . . 3.500 2.968 2.804 3.107 . 0 0 "[ . 1 . 2]" 1
198 1 37 LEU H 1 37 LEU HB2 . . 2.700 2.677 2.501 2.722 0.022 17 0 "[ . 1 . 2]" 1
199 1 37 LEU H 1 37 LEU HB3 . . 3.500 3.600 3.551 3.624 0.124 1 0 "[ . 1 . 2]" 1
200 1 37 LEU H 1 37 LEU HA . . 2.700 2.845 2.822 2.864 0.164 14 0 "[ . 1 . 2]" 1
201 1 37 LEU HA 1 37 LEU QB . . 2.700 2.243 2.216 2.332 . 0 0 "[ . 1 . 2]" 1
202 1 37 LEU HA 1 37 LEU HG . . 3.500 3.333 3.246 3.398 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU HA 1 53 ILE MG . . 5.500 5.182 4.729 5.539 0.039 4 0 "[ . 1 . 2]" 1
204 1 37 LEU HA 1 37 LEU MD1 . . 3.500 3.721 3.675 3.760 0.260 18 0 "[ . 1 . 2]" 1
205 1 37 LEU HA 1 37 LEU MD2 . . 2.700 2.316 2.224 2.370 . 0 0 "[ . 1 . 2]" 1
206 1 37 LEU MD1 1 37 LEU MD2 . . 2.700 2.027 2.001 2.071 . 0 0 "[ . 1 . 2]" 1
207 1 37 LEU QB 1 93 LEU HG . . 5.500 3.978 3.673 4.407 . 0 0 "[ . 1 . 2]" 1
208 1 37 LEU HB3 1 93 LEU MD2 . . 5.500 2.347 2.090 2.809 . 0 0 "[ . 1 . 2]" 1
209 1 37 LEU HB2 1 93 LEU MD2 . . 3.500 3.054 2.920 3.305 . 0 0 "[ . 1 . 2]" 1
210 1 37 LEU MD2 1 93 LEU MD2 . . 3.500 3.569 3.520 3.595 0.095 18 0 "[ . 1 . 2]" 1
211 1 37 LEU MD1 1 93 LEU MD2 . . 5.500 2.250 2.101 2.522 . 0 0 "[ . 1 . 2]" 1
212 1 37 LEU H 1 38 LEU H . . 2.700 2.800 2.780 2.840 0.140 10 0 "[ . 1 . 2]" 1
213 1 37 LEU H 1 38 LEU MD1 . . 5.500 4.013 3.954 4.056 . 0 0 "[ . 1 . 2]" 1
214 1 37 LEU H 1 38 LEU MD2 . . 5.500 5.486 5.265 5.543 0.043 8 0 "[ . 1 . 2]" 1
215 1 37 LEU MD1 1 38 LEU H . . 3.500 3.642 3.593 3.683 0.183 11 0 "[ . 1 . 2]" 1
216 1 37 LEU HB2 1 38 LEU H . . 3.500 1.865 1.839 1.890 . 0 0 "[ . 1 . 2]" 1
217 1 37 LEU MD2 1 53 ILE HA . . 5.500 3.613 3.347 3.935 . 0 0 "[ . 1 . 2]" 1
218 1 37 LEU MD2 1 53 ILE MD . . 5.500 2.450 2.169 2.814 . 0 0 "[ . 1 . 2]" 1
219 1 37 LEU MD2 1 53 ILE MG . . 5.500 3.039 2.828 3.294 . 0 0 "[ . 1 . 2]" 1
220 1 37 LEU MD1 1 53 ILE MD . . 5.500 3.811 3.570 4.035 . 0 0 "[ . 1 . 2]" 1
221 1 37 LEU H 1 37 LEU HG . . 2.700 2.196 2.148 2.376 . 0 0 "[ . 1 . 2]" 1
222 1 37 LEU MD1 1 97 LEU MD1 . . 3.500 2.856 2.584 3.203 . 0 0 "[ . 1 . 2]" 1
223 1 37 LEU MD1 1 97 LEU MD2 . . 5.500 2.430 2.231 2.756 . 0 0 "[ . 1 . 2]" 1
224 1 37 LEU MD2 1 53 ILE HB . . 5.500 4.642 4.529 4.809 . 0 0 "[ . 1 . 2]" 1
225 1 37 LEU MD2 1 56 GLU QG . . 5.500 4.897 4.260 5.559 0.059 12 0 "[ . 1 . 2]" 1
226 1 37 LEU MD2 1 97 LEU MD1 . . 3.500 2.372 2.082 2.624 . 0 0 "[ . 1 . 2]" 1
227 1 37 LEU MD1 1 83 MET QB . . 5.500 3.316 2.499 3.625 . 0 0 "[ . 1 . 2]" 1
228 1 37 LEU MD1 1 83 MET QG . . 3.500 3.254 2.204 3.566 0.066 16 0 "[ . 1 . 2]" 1
229 1 37 LEU MD1 1 83 MET ME . . 5.500 3.536 2.977 3.767 . 0 0 "[ . 1 . 2]" 1
230 1 38 LEU H 1 38 LEU QB . . 2.700 2.123 2.051 2.163 . 0 0 "[ . 1 . 2]" 1
231 1 38 LEU H 1 38 LEU HA . . 2.700 2.743 2.699 2.771 0.071 12 0 "[ . 1 . 2]" 1
232 1 38 LEU HA 1 38 LEU QB . . 2.700 2.503 2.488 2.531 . 0 0 "[ . 1 . 2]" 1
233 1 38 LEU MD1 1 38 LEU MD2 . . 2.700 2.045 2.037 2.052 . 0 0 "[ . 1 . 2]" 1
234 1 38 LEU MD1 1 87 VAL MG1 . . 5.500 5.339 4.808 5.537 0.037 18 0 "[ . 1 . 2]" 1
235 1 38 LEU MD1 1 87 VAL MG2 . . 5.500 4.150 3.814 4.352 . 0 0 "[ . 1 . 2]" 1
236 1 38 LEU H 1 38 LEU MD1 . . 5.500 2.188 2.149 2.246 . 0 0 "[ . 1 . 2]" 1
237 1 38 LEU H 1 38 LEU MD2 . . 5.500 3.641 3.530 3.699 . 0 0 "[ . 1 . 2]" 1
238 1 38 LEU H 1 38 LEU HG . . 3.500 3.697 3.667 3.729 0.229 18 0 "[ . 1 . 2]" 1
239 1 38 LEU MD1 1 39 ALA H . . 5.500 4.537 4.471 4.580 . 0 0 "[ . 1 . 2]" 1
240 1 38 LEU HA 1 38 LEU HG . . 3.500 2.409 2.338 2.519 . 0 0 "[ . 1 . 2]" 1
241 1 38 LEU QB 1 38 LEU HG . . 2.700 2.317 2.288 2.329 . 0 0 "[ . 1 . 2]" 1
242 1 38 LEU MD1 1 93 LEU HG . . 5.500 4.663 4.428 4.932 . 0 0 "[ . 1 . 2]" 1
243 1 39 ALA H 1 40 LEU H . . 2.700 2.728 2.401 2.902 0.202 8 0 "[ . 1 . 2]" 1
244 1 39 ALA MB 1 40 LEU H . . 2.700 2.706 1.951 2.845 0.145 14 0 "[ . 1 . 2]" 1
245 1 40 LEU H 1 40 LEU QB . . 2.700 2.557 2.079 2.966 0.266 5 0 "[ . 1 . 2]" 1
246 1 40 LEU H 1 40 LEU QD . . 3.500 3.567 2.605 3.884 0.384 12 0 "[ . 1 . 2]" 1
247 1 40 LEU QB 1 40 LEU QD . . 2.700 1.959 1.847 2.060 . 0 0 "[ . 1 . 2]" 1
248 1 40 LEU QD 1 41 PRO HA . . 3.500 2.920 2.185 3.574 0.074 20 0 "[ . 1 . 2]" 1
249 1 40 LEU QD 1 41 PRO QG . . 3.500 3.481 2.386 3.725 0.225 12 0 "[ . 1 . 2]" 1
250 1 40 LEU H 1 41 PRO QG . . 3.500 3.646 3.545 3.853 0.353 14 0 "[ . 1 . 2]" 1
251 1 40 LEU QB 1 41 PRO HA . . 3.500 3.739 3.629 3.869 0.369 5 0 "[ . 1 . 2]" 1
252 1 40 LEU QB 1 41 PRO QG . . 5.500 4.030 2.443 5.093 . 0 0 "[ . 1 . 2]" 1
253 1 40 LEU QD 1 44 ALA H . . 5.500 4.558 3.109 5.618 0.118 17 0 "[ . 1 . 2]" 1
254 1 41 PRO HA 1 41 PRO QG . . 3.500 3.011 2.556 3.524 0.024 17 0 "[ . 1 . 2]" 1
255 1 42 GLU H 1 42 GLU QB . . 2.700 2.363 2.090 2.759 0.059 10 0 "[ . 1 . 2]" 1
256 1 42 GLU H 1 42 GLU HA . . 2.700 2.804 2.724 2.895 0.195 16 0 "[ . 1 . 2]" 1
257 1 42 GLU HA 1 42 GLU QB . . 2.700 2.397 2.334 2.448 . 0 0 "[ . 1 . 2]" 1
258 1 42 GLU HA 1 42 GLU QG . . 3.500 2.622 2.327 3.055 . 0 0 "[ . 1 . 2]" 1
259 1 42 GLU QB 1 43 SER H . . 2.700 2.701 2.394 2.854 0.154 17 0 "[ . 1 . 2]" 1
260 1 43 SER H 1 44 ALA H . . 2.700 2.694 2.086 2.957 0.257 16 0 "[ . 1 . 2]" 1
261 1 43 SER H 1 43 SER QB . . 2.700 2.562 2.393 2.893 0.193 17 0 "[ . 1 . 2]" 1
262 1 43 SER H 1 43 SER HA . . 2.700 2.773 2.177 2.946 0.246 14 0 "[ . 1 . 2]" 1
263 1 43 SER HA 1 43 SER QB . . 2.700 2.306 2.127 2.410 . 0 0 "[ . 1 . 2]" 1
264 1 43 SER H 1 44 ALA MB . . 5.500 4.668 4.137 4.927 . 0 0 "[ . 1 . 2]" 1
265 1 43 SER HA 1 44 ALA H . . 5.500 3.383 2.655 3.609 . 0 0 "[ . 1 . 2]" 1
266 1 44 ALA H 1 44 ALA MB . . 2.700 2.695 2.190 2.775 0.075 5 0 "[ . 1 . 2]" 1
267 1 44 ALA H 1 44 ALA HA . . 2.700 2.421 2.207 2.918 0.218 17 0 "[ . 1 . 2]" 1
268 1 44 ALA HA 1 91 THR HB . . 5.500 5.554 4.965 5.662 0.162 16 0 "[ . 1 . 2]" 1
269 1 44 ALA MB 1 91 THR MG . . 5.500 5.302 4.664 5.552 0.052 15 0 "[ . 1 . 2]" 1
270 1 44 ALA H 1 45 SER HA . . 5.500 5.187 4.098 5.504 0.004 11 0 "[ . 1 . 2]" 1
271 1 44 ALA H 1 45 SER H . . 2.700 2.648 1.790 2.880 0.180 16 0 "[ . 1 . 2]" 1
272 1 44 ALA MB 1 45 SER H . . 3.500 3.362 2.478 3.646 0.146 6 0 "[ . 1 . 2]" 1
273 1 44 ALA MB 1 46 SER H . . 5.500 5.222 3.580 5.621 0.121 8 0 "[ . 1 . 2]" 1
274 1 45 SER H 1 45 SER QB . . 2.700 2.568 2.242 2.931 0.231 16 0 "[ . 1 . 2]" 1
275 1 45 SER H 1 45 SER HA . . 2.700 2.782 2.282 2.949 0.249 19 0 "[ . 1 . 2]" 1
276 1 45 SER HA 1 45 SER QB . . 2.700 2.345 2.160 2.468 . 0 0 "[ . 1 . 2]" 1
277 1 45 SER H 1 46 SER H . . 5.500 4.097 3.196 4.704 . 0 0 "[ . 1 . 2]" 1
278 1 46 SER H 1 47 GLU H . . 2.700 2.849 2.470 2.969 0.269 16 0 "[ . 1 . 2]" 1
279 1 46 SER H 1 46 SER HA . . 2.700 2.854 2.741 2.935 0.235 9 0 "[ . 1 . 2]" 1
280 1 46 SER H 1 46 SER QB . . 2.700 2.645 2.444 2.817 0.117 10 0 "[ . 1 . 2]" 1
281 1 46 SER HA 1 46 SER QB . . 2.700 2.292 2.166 2.465 . 0 0 "[ . 1 . 2]" 1
282 1 47 GLU H 1 47 GLU QB . . 3.500 2.400 2.171 2.657 . 0 0 "[ . 1 . 2]" 1
283 1 47 GLU H 1 47 GLU HA . . 2.700 2.851 2.771 2.894 0.194 3 0 "[ . 1 . 2]" 1
284 1 47 GLU H 1 48 THR H . . 2.700 2.755 2.595 2.920 0.220 16 0 "[ . 1 . 2]" 1
285 1 47 GLU HA 1 50 LYS QE . . 5.500 4.204 3.150 5.425 . 0 0 "[ . 1 . 2]" 1
286 1 47 GLU HA 1 47 GLU QB . . 2.700 2.380 2.144 2.503 . 0 0 "[ . 1 . 2]" 1
287 1 47 GLU QB 1 50 LYS QE . . 5.500 4.711 3.357 5.527 0.027 20 0 "[ . 1 . 2]" 1
288 1 47 GLU HA 1 50 LYS QG . . 5.500 3.784 2.966 4.519 . 0 0 "[ . 1 . 2]" 1
289 1 47 GLU QB 1 48 THR H . . 3.500 2.719 2.339 3.562 0.062 20 0 "[ . 1 . 2]" 1
290 1 47 GLU HA 1 50 LYS QD . . 3.500 3.143 2.493 3.546 0.046 17 0 "[ . 1 . 2]" 1
291 1 47 GLU HA 1 50 LYS H . . 3.500 3.344 2.880 3.595 0.095 3 0 "[ . 1 . 2]" 1
292 1 48 THR H 1 48 THR HA . . 2.700 2.764 2.725 2.790 0.090 4 0 "[ . 1 . 2]" 1
293 1 48 THR H 1 48 THR HB . . 2.700 2.711 2.522 2.748 0.048 1 0 "[ . 1 . 2]" 1
294 1 48 THR H 1 48 THR MG . . 3.500 3.628 3.602 3.661 0.161 11 0 "[ . 1 . 2]" 1
295 1 48 THR HA 1 48 THR MG . . 2.700 2.274 2.256 2.340 . 0 0 "[ . 1 . 2]" 1
296 1 48 THR HA 1 51 ASP QB . . 3.500 3.070 2.455 3.536 0.036 8 0 "[ . 1 . 2]" 1
297 1 48 THR MG 1 51 ASP QB . . 5.500 4.137 3.458 4.652 . 0 0 "[ . 1 . 2]" 1
298 1 48 THR HA 1 51 ASP H . . 3.700 3.560 3.126 3.756 0.056 2 0 "[ . 1 . 2]" 1
299 1 50 LYS HA 1 50 LYS QB . . 2.700 2.259 2.101 2.488 . 0 0 "[ . 1 . 2]" 1
300 1 50 LYS HA 1 50 LYS QG . . 3.500 2.771 2.197 3.200 . 0 0 "[ . 1 . 2]" 1
301 1 50 LYS QB 1 50 LYS QD . . 3.500 2.196 2.086 2.479 . 0 0 "[ . 1 . 2]" 1
302 1 50 LYS QE 1 50 LYS QG . . 3.500 2.189 2.074 2.581 . 0 0 "[ . 1 . 2]" 1
303 1 50 LYS HA 1 53 ILE MG . . 3.500 3.556 3.517 3.587 0.087 2 0 "[ . 1 . 2]" 1
304 1 50 LYS HA 1 53 ILE MD . . 2.700 2.695 2.492 2.754 0.054 12 0 "[ . 1 . 2]" 1
305 1 50 LYS H 1 50 LYS HA . . 2.700 2.821 2.756 2.864 0.164 14 0 "[ . 1 . 2]" 1
306 1 50 LYS H 1 50 LYS QB . . 2.700 2.073 1.967 2.376 . 0 0 "[ . 1 . 2]" 1
307 1 50 LYS H 1 50 LYS QG . . 3.500 3.425 2.431 3.765 0.265 5 0 "[ . 1 . 2]" 1
308 1 50 LYS H 1 50 LYS QD . . 5.500 4.175 3.775 4.553 . 0 0 "[ . 1 . 2]" 1
309 1 50 LYS H 1 50 LYS QE . . 5.500 5.020 4.025 5.586 0.086 10 0 "[ . 1 . 2]" 1
310 1 50 LYS H 1 96 ALA MB . . 3.500 3.119 2.782 3.514 0.014 12 0 "[ . 1 . 2]" 1
311 1 50 LYS HA 1 96 ALA MB . . 3.500 2.380 2.223 2.525 . 0 0 "[ . 1 . 2]" 1
312 1 50 LYS QB 1 96 ALA MB . . 3.500 2.723 2.371 3.583 0.083 20 0 "[ . 1 . 2]" 1
313 1 50 LYS QG 1 96 ALA MB . . 5.500 3.650 2.033 4.468 . 0 0 "[ . 1 . 2]" 1
314 1 50 LYS QD 1 96 ALA MB . . 5.500 4.208 3.297 4.805 . 0 0 "[ . 1 . 2]" 1
315 1 50 LYS HA 1 53 ILE HB . . 3.500 2.383 2.248 2.593 . 0 0 "[ . 1 . 2]" 1
316 1 50 LYS QE 1 100 VAL MG1 . . 3.500 3.480 2.784 3.554 0.054 20 0 "[ . 1 . 2]" 1
317 1 50 LYS H 1 51 ASP H . . 3.500 2.913 2.727 3.070 . 0 0 "[ . 1 . 2]" 1
318 1 50 LYS HA 1 100 VAL MG1 . . 3.500 2.595 2.346 2.898 . 0 0 "[ . 1 . 2]" 1
319 1 50 LYS HA 1 54 TYR QE . . 5.500 5.565 5.335 5.646 0.146 10 0 "[ . 1 . 2]" 1
320 1 50 LYS HA 1 54 TYR QD . . 5.500 5.102 4.890 5.232 . 0 0 "[ . 1 . 2]" 1
321 1 50 LYS QB 1 54 TYR QE . . 5.500 4.526 3.320 4.851 . 0 0 "[ . 1 . 2]" 1
322 1 50 LYS QB 1 54 TYR QD . . 5.500 4.716 3.537 5.169 . 0 0 "[ . 1 . 2]" 1
323 1 50 LYS QG 1 54 TYR QE . . 5.500 3.091 2.662 4.990 . 0 0 "[ . 1 . 2]" 1
324 1 50 LYS QG 1 54 TYR QD . . 5.500 3.505 2.984 5.378 . 0 0 "[ . 1 . 2]" 1
325 1 50 LYS QB 1 51 ASP H . . 3.500 2.956 2.350 3.501 0.001 1 0 "[ . 1 . 2]" 1
326 1 50 LYS QG 1 100 VAL MG1 . . 3.500 2.187 1.965 2.568 . 0 0 "[ . 1 . 2]" 1
327 1 50 LYS QD 1 100 VAL MG1 . . 3.500 3.283 2.933 3.572 0.072 7 0 "[ . 1 . 2]" 1
328 1 50 LYS QD 1 54 TYR QD . . 5.500 5.021 4.221 5.505 0.005 19 0 "[ . 1 . 2]" 1
329 1 50 LYS QD 1 54 TYR QE . . 5.500 3.865 2.774 4.338 . 0 0 "[ . 1 . 2]" 1
330 1 50 LYS QE 1 54 TYR QE . . 5.500 2.983 2.030 5.543 0.043 20 0 "[ . 1 . 2]" 1
331 1 51 ASP H 1 51 ASP HA . . 2.700 2.850 2.835 2.864 0.164 19 0 "[ . 1 . 2]" 1
332 1 51 ASP H 1 51 ASP QB . . 2.700 2.382 2.172 2.683 . 0 0 "[ . 1 . 2]" 1
333 1 51 ASP H 1 52 SER H . . 3.500 2.795 2.734 2.927 . 0 0 "[ . 1 . 2]" 1
334 1 51 ASP HA 1 51 ASP QB . . 2.700 2.184 2.045 2.275 . 0 0 "[ . 1 . 2]" 1
335 1 51 ASP QB 1 54 TYR QD . . 3.500 3.252 2.954 3.574 0.074 4 0 "[ . 1 . 2]" 1
336 1 51 ASP HA 1 54 TYR QD . . 3.500 2.178 2.056 2.489 . 0 0 "[ . 1 . 2]" 1
337 1 51 ASP HA 1 54 TYR QE . . 5.500 4.288 4.071 4.717 . 0 0 "[ . 1 . 2]" 1
338 1 51 ASP QB 1 54 TYR QB . . 3.500 3.656 3.559 3.716 0.216 12 0 "[ . 1 . 2]" 1
339 1 51 ASP HA 1 54 TYR H . . 3.500 2.993 2.840 3.158 . 0 0 "[ . 1 . 2]" 1
340 1 52 SER HA 1 52 SER QB . . 2.700 2.362 2.160 2.418 . 0 0 "[ . 1 . 2]" 1
341 1 52 SER HA 1 55 GLN QB . . 3.500 2.677 2.490 3.168 . 0 0 "[ . 1 . 2]" 1
342 1 53 ILE H 1 53 ILE HA . . 2.700 2.814 2.804 2.820 0.120 17 0 "[ . 1 . 2]" 1
343 1 53 ILE H 1 53 ILE HB . . 3.500 2.272 2.217 2.335 . 0 0 "[ . 1 . 2]" 1
344 1 53 ILE H 1 53 ILE MD . . 5.500 3.553 3.411 3.669 . 0 0 "[ . 1 . 2]" 1
345 1 53 ILE HA 1 53 ILE MG . . 2.700 2.621 2.586 2.674 . 0 0 "[ . 1 . 2]" 1
346 1 53 ILE HA 1 53 ILE MD . . 3.500 3.674 3.649 3.704 0.204 4 0 "[ . 1 . 2]" 1
347 1 53 ILE HB 1 53 ILE MD . . 3.500 2.309 2.263 2.364 . 0 0 "[ . 1 . 2]" 1
348 1 53 ILE MD 1 53 ILE MG . . 3.500 2.021 1.995 2.045 . 0 0 "[ . 1 . 2]" 1
349 1 53 ILE MD 1 93 LEU MD1 . . 5.500 2.097 1.958 2.311 . 0 0 "[ . 1 . 2]" 1
350 1 53 ILE MD 1 96 ALA MB . . 2.700 2.051 1.970 2.223 . 0 0 "[ . 1 . 2]" 1
351 1 53 ILE MD 1 97 LEU MD2 . . 2.700 2.159 2.061 2.301 . 0 0 "[ . 1 . 2]" 1
352 1 53 ILE MD 1 97 LEU MD1 . . 2.700 2.285 2.143 2.512 . 0 0 "[ . 1 . 2]" 1
353 1 53 ILE MG 1 97 LEU MD1 . . 2.700 2.396 2.227 2.661 . 0 0 "[ . 1 . 2]" 1
354 1 53 ILE MG 1 97 LEU MD2 . . 3.500 3.545 3.497 3.595 0.095 11 0 "[ . 1 . 2]" 1
355 1 53 ILE MD 1 100 VAL MG2 . . 3.500 3.577 3.540 3.608 0.108 19 0 "[ . 1 . 2]" 1
356 1 53 ILE MG 1 57 MET ME . . 3.500 2.738 2.450 3.285 . 0 0 "[ . 1 . 2]" 1
357 1 53 ILE MG 1 100 VAL MG1 . . 3.500 2.166 2.014 2.382 . 0 0 "[ . 1 . 2]" 1
358 1 53 ILE HB 1 100 VAL MG1 . . 2.700 2.668 2.501 2.745 0.045 9 0 "[ . 1 . 2]" 1
359 1 53 ILE HB 1 96 ALA MB . . 3.500 3.636 3.572 3.690 0.190 4 0 "[ . 1 . 2]" 1
360 1 53 ILE MD 1 93 LEU HA . . 5.500 3.854 3.529 4.271 . 0 0 "[ . 1 . 2]" 1
361 1 53 ILE MD 1 93 LEU QB . . 5.500 4.634 4.424 4.867 . 0 0 "[ . 1 . 2]" 1
362 1 53 ILE H 1 54 TYR H . . 2.700 2.776 2.739 2.803 0.103 2 0 "[ . 1 . 2]" 1
363 1 53 ILE HB 1 54 TYR H . . 2.700 2.777 2.706 2.811 0.111 19 0 "[ . 1 . 2]" 1
364 1 53 ILE MG 1 57 MET H . . 5.500 4.130 4.033 4.292 . 0 0 "[ . 1 . 2]" 1
365 1 53 ILE HA 1 56 GLU QB . . 3.500 2.977 2.651 3.413 . 0 0 "[ . 1 . 2]" 1
366 1 53 ILE HA 1 56 GLU QG . . 5.500 3.967 3.303 4.657 . 0 0 "[ . 1 . 2]" 1
367 1 53 ILE MD 1 100 VAL MG1 . . 3.500 3.202 2.967 3.351 . 0 0 "[ . 1 . 2]" 1
368 1 54 TYR H 1 54 TYR HA . . 2.700 2.825 2.808 2.836 0.136 19 0 "[ . 1 . 2]" 1
369 1 54 TYR H 1 54 TYR QB . . 2.700 2.342 2.278 2.408 . 0 0 "[ . 1 . 2]" 1
370 1 54 TYR H 1 54 TYR QD . . 5.500 3.518 3.461 3.577 . 0 0 "[ . 1 . 2]" 1
371 1 54 TYR H 1 55 GLN H . . 2.700 2.819 2.804 2.837 0.137 17 0 "[ . 1 . 2]" 1
372 1 54 TYR HA 1 54 TYR QB . . 2.700 2.473 2.453 2.500 . 0 0 "[ . 1 . 2]" 1
373 1 54 TYR HA 1 54 TYR QD . . 2.700 2.146 2.090 2.246 . 0 0 "[ . 1 . 2]" 1
374 1 54 TYR HA 1 54 TYR QE . . 5.500 4.414 4.369 4.461 . 0 0 "[ . 1 . 2]" 1
375 1 54 TYR QB 1 54 TYR QD . . 2.700 2.203 2.192 2.217 . 0 0 "[ . 1 . 2]" 1
376 1 54 TYR QD 1 100 VAL MG2 . . 3.500 3.594 3.558 3.612 0.112 16 0 "[ . 1 . 2]" 1
377 1 54 TYR QE 1 100 VAL MG2 . . 3.500 3.568 3.474 3.627 0.127 4 0 "[ . 1 . 2]" 1
378 1 54 TYR QD 1 100 VAL MG1 . . 3.500 3.088 2.951 3.327 . 0 0 "[ . 1 . 2]" 1
379 1 54 TYR QE 1 100 VAL MG1 . . 3.500 3.058 2.908 3.357 . 0 0 "[ . 1 . 2]" 1
380 1 54 TYR HA 1 57 MET ME . . 3.500 2.798 2.362 3.509 0.009 2 0 "[ . 1 . 2]" 1
381 1 54 TYR QD 1 57 MET ME . . 3.500 2.644 2.473 3.164 . 0 0 "[ . 1 . 2]" 1
382 1 54 TYR QE 1 57 MET ME . . 3.500 3.575 3.544 3.610 0.110 8 0 "[ . 1 . 2]" 1
383 1 54 TYR QE 1 104 SER HA . . 5.500 3.721 3.514 3.955 . 0 0 "[ . 1 . 2]" 1
384 1 54 TYR QD 1 104 SER HA . . 5.500 5.318 5.052 5.502 0.002 2 0 "[ . 1 . 2]" 1
385 1 54 TYR QD 1 104 SER QB . . 3.500 3.574 3.518 3.636 0.136 8 0 "[ . 1 . 2]" 1
386 1 54 TYR QE 1 104 SER QB . . 5.500 2.196 2.023 2.589 . 0 0 "[ . 1 . 2]" 1
387 1 54 TYR QD 1 100 VAL HA . . 5.500 4.317 4.121 4.513 . 0 0 "[ . 1 . 2]" 1
388 1 54 TYR QE 1 100 VAL HA . . 5.500 2.692 2.322 2.953 . 0 0 "[ . 1 . 2]" 1
389 1 54 TYR QB 1 57 MET ME . . 5.500 4.515 4.110 5.045 . 0 0 "[ . 1 . 2]" 1
390 1 55 GLN H 1 55 GLN QB . . 2.700 2.297 2.160 2.530 . 0 0 "[ . 1 . 2]" 1
391 1 55 GLN H 1 55 GLN HA . . 2.700 2.836 2.823 2.851 0.151 20 0 "[ . 1 . 2]" 1
392 1 55 GLN HA 1 55 GLN QB . . 2.700 2.390 2.130 2.464 . 0 0 "[ . 1 . 2]" 1
393 1 55 GLN HA 1 55 GLN QG . . 3.500 2.625 2.298 3.347 . 0 0 "[ . 1 . 2]" 1
394 1 55 GLN H 1 56 GLU H . . 2.700 2.768 2.743 2.808 0.108 1 0 "[ . 1 . 2]" 1
395 1 55 GLN HA 1 58 ASN QB . . 3.500 2.708 2.355 2.977 . 0 0 "[ . 1 . 2]" 1
396 1 55 GLN HA 1 58 ASN H . . 3.500 3.535 3.378 3.614 0.114 18 0 "[ . 1 . 2]" 1
397 1 55 GLN QB 1 59 ALA MB . . 5.500 4.294 3.739 4.691 . 0 0 "[ . 1 . 2]" 1
398 1 55 GLN QG 1 59 ALA MB . . 5.500 3.861 2.778 5.360 . 0 0 "[ . 1 . 2]" 1
399 1 56 GLU H 1 56 GLU QB . . 2.700 2.376 2.156 2.518 . 0 0 "[ . 1 . 2]" 1
400 1 56 GLU H 1 56 GLU HA . . 2.700 2.852 2.839 2.874 0.174 2 0 "[ . 1 . 2]" 1
401 1 56 GLU H 1 57 MET H . . 2.700 2.729 2.707 2.755 0.055 4 0 "[ . 1 . 2]" 1
402 1 56 GLU HA 1 56 GLU QB . . 2.700 2.407 2.353 2.517 . 0 0 "[ . 1 . 2]" 1
403 1 56 GLU HA 1 56 GLU QG . . 3.500 2.849 2.367 3.105 . 0 0 "[ . 1 . 2]" 1
404 1 56 GLU HA 1 59 ALA MB . . 3.500 2.861 2.515 3.295 . 0 0 "[ . 1 . 2]" 1
405 1 56 GLU HA 1 59 ALA H . . 3.500 3.146 2.808 3.348 . 0 0 "[ . 1 . 2]" 1
406 1 57 MET H 1 57 MET QB . . 2.700 2.210 2.161 2.316 . 0 0 "[ . 1 . 2]" 1
407 1 57 MET H 1 57 MET HA . . 2.700 2.798 2.773 2.830 0.130 1 0 "[ . 1 . 2]" 1
408 1 57 MET H 1 58 ASN H . . 2.700 2.779 2.753 2.800 0.100 16 0 "[ . 1 . 2]" 1
409 1 57 MET HA 1 57 MET QB . . 2.700 2.308 2.232 2.366 . 0 0 "[ . 1 . 2]" 1
410 1 57 MET HA 1 57 MET ME . . 3.500 3.751 3.659 3.904 0.404 15 0 "[ . 1 . 2]" 1
411 1 57 MET QB 1 57 MET ME . . 3.500 1.994 1.850 2.075 . 0 0 "[ . 1 . 2]" 1
412 1 57 MET ME 1 100 VAL MG1 . . 3.500 3.452 3.282 3.575 0.075 10 0 "[ . 1 . 2]" 1
413 1 57 MET ME 1 100 VAL MG2 . . 3.500 2.047 1.879 2.278 . 0 0 "[ . 1 . 2]" 1
414 1 57 MET ME 1 80 LEU MD1 . . 3.500 2.877 2.053 3.524 0.024 19 0 "[ . 1 . 2]" 1
415 1 57 MET ME 1 80 LEU MD2 . . 3.500 2.521 2.118 3.274 . 0 0 "[ . 1 . 2]" 1
416 1 57 MET ME 1 76 GLN HA . . 5.500 5.250 4.793 5.532 0.032 18 0 "[ . 1 . 2]" 1
417 1 57 MET ME 1 76 GLN QB . . 5.500 5.265 4.791 5.554 0.054 18 0 "[ . 1 . 2]" 1
418 1 57 MET ME 1 76 GLN QG . . 5.500 3.572 3.189 3.818 . 0 0 "[ . 1 . 2]" 1
419 1 57 MET QB 1 58 ASN H . . 2.700 2.466 2.292 2.704 0.004 10 0 "[ . 1 . 2]" 1
420 1 58 ASN H 1 58 ASN QB . . 3.500 2.189 2.113 2.305 . 0 0 "[ . 1 . 2]" 1
421 1 58 ASN H 1 58 ASN HA . . 2.700 2.855 2.817 2.885 0.185 2 0 "[ . 1 . 2]" 1
422 1 58 ASN HA 1 58 ASN QB . . 2.700 2.397 2.341 2.475 . 0 0 "[ . 1 . 2]" 1
423 1 58 ASN QB 1 59 ALA H . . 3.500 3.199 3.092 3.454 . 0 0 "[ . 1 . 2]" 1
424 1 58 ASN H 1 59 ALA MB . . 5.500 4.193 4.108 4.288 . 0 0 "[ . 1 . 2]" 1
425 1 59 ALA H 1 59 ALA MB . . 2.700 2.310 2.237 2.385 . 0 0 "[ . 1 . 2]" 1
426 1 59 ALA H 1 59 ALA HA . . 2.700 2.951 2.932 2.959 0.259 4 0 "[ . 1 . 2]" 1
427 1 59 ALA HA 1 61 LYS QB . . 5.500 4.353 3.305 5.183 . 0 0 "[ . 1 . 2]" 1
428 1 59 ALA HA 1 61 LYS QG . . 5.500 2.601 2.203 4.806 . 0 0 "[ . 1 . 2]" 1
429 1 59 ALA HA 1 61 LYS QD . . 5.500 3.433 3.059 4.167 . 0 0 "[ . 1 . 2]" 1
430 1 59 ALA HA 1 61 LYS QE . . 5.500 2.917 2.145 4.247 . 0 0 "[ . 1 . 2]" 1
431 1 59 ALA MB 1 61 LYS HA . . 5.500 5.776 5.727 5.865 0.365 14 0 "[ . 1 . 2]" 1
432 1 59 ALA MB 1 60 PHE H . . 2.700 2.856 2.778 2.935 0.235 12 0 "[ . 1 . 2]" 1
433 1 59 ALA H 1 60 PHE HB3 . . 5.500 4.575 4.349 4.850 . 0 0 "[ . 1 . 2]" 1
434 1 59 ALA H 1 60 PHE QR . . 5.500 5.549 5.513 5.627 0.127 18 0 "[ . 1 . 2]" 1
435 1 60 PHE H 1 60 PHE HB2 . . 2.700 2.093 2.043 2.170 . 0 0 "[ . 1 . 2]" 1
436 1 60 PHE H 1 60 PHE HB3 . . 3.500 2.609 2.299 2.768 . 0 0 "[ . 1 . 2]" 1
437 1 60 PHE H 1 60 PHE HA . . 2.700 2.706 2.676 2.776 0.076 18 0 "[ . 1 . 2]" 1
438 1 60 PHE H 1 60 PHE QR . . 3.500 3.760 3.714 3.821 0.321 18 0 "[ . 1 . 2]" 1
439 1 60 PHE HA 1 60 PHE QR . . 2.700 2.649 2.041 2.736 0.036 4 0 "[ . 1 . 2]" 1
440 1 60 PHE H 1 61 LYS H . . 3.500 2.831 2.656 3.410 . 0 0 "[ . 1 . 2]" 1
441 1 60 PHE HB3 1 61 LYS H . . 3.500 2.555 2.417 3.827 0.327 18 0 "[ . 1 . 2]" 1
442 1 60 PHE HA 1 60 PHE HB3 . . 2.700 2.962 2.867 2.980 0.280 14 0 "[ . 1 . 2]" 1
443 1 60 PHE HB2 1 69 ALA MB . . 5.500 3.204 2.877 3.836 . 0 0 "[ . 1 . 2]" 1
444 1 60 PHE HB3 1 69 ALA MB . . 3.500 2.058 1.983 2.230 . 0 0 "[ . 1 . 2]" 1
445 1 60 PHE QD 1 69 ALA HA . . 3.500 3.570 3.475 3.636 0.136 14 0 "[ . 1 . 2]" 1
446 1 60 PHE H 1 69 ALA MB . . 3.500 3.604 3.544 3.688 0.188 17 0 "[ . 1 . 2]" 1
447 1 60 PHE HB2 1 61 LYS H . . 3.500 3.634 3.545 3.954 0.454 18 0 "[ . 1 . 2]" 1
448 1 60 PHE QR 1 61 LYS H . . 3.500 3.615 3.576 3.652 0.152 3 0 "[ . 1 . 2]" 1
449 1 60 PHE QB 1 60 PHE QR . . 2.700 2.080 2.063 2.138 . 0 0 "[ . 1 . 2]" 1
450 1 61 LYS H 1 61 LYS QB . . 2.700 3.039 2.682 3.174 0.474 20 0 "[ . 1 . 2]" 1
451 1 61 LYS H 1 61 LYS HA . . 2.700 2.182 2.069 2.731 0.031 18 0 "[ . 1 . 2]" 1
452 1 61 LYS HA 1 61 LYS QB . . 2.700 2.328 2.264 2.392 . 0 0 "[ . 1 . 2]" 1
453 1 61 LYS HA 1 61 LYS QG . . 3.500 2.990 2.551 3.137 . 0 0 "[ . 1 . 2]" 1
454 1 61 LYS HA 1 61 LYS QE . . 5.500 4.096 3.970 4.195 . 0 0 "[ . 1 . 2]" 1
455 1 61 LYS HA 1 69 ALA MB . . 5.500 3.552 2.212 4.586 . 0 0 "[ . 1 . 2]" 1
456 1 61 LYS QB 1 61 LYS QD . . 3.500 2.312 2.090 2.476 . 0 0 "[ . 1 . 2]" 1
457 1 61 LYS QB 1 68 SER HA . . 3.500 3.721 3.648 3.908 0.408 16 0 "[ . 1 . 2]" 1
458 1 61 LYS QE 1 61 LYS QG . . 3.500 2.183 2.068 2.389 . 0 0 "[ . 1 . 2]" 1
459 1 61 LYS H 1 69 ALA MB . . 5.500 3.048 2.403 4.783 . 0 0 "[ . 1 . 2]" 1
460 1 61 LYS H 1 62 ASP H . . 3.500 3.549 3.185 3.723 0.223 18 0 "[ . 1 . 2]" 1
461 1 61 LYS H 1 61 LYS QD . . 2.700 2.719 2.614 2.926 0.226 16 0 "[ . 1 . 2]" 1
462 1 61 LYS QD 1 68 SER HA . . 3.500 1.863 1.804 1.959 . 0 0 "[ . 1 . 2]" 1
463 1 61 LYS QG 1 68 SER HA . . 5.500 3.898 3.605 4.056 . 0 0 "[ . 1 . 2]" 1
464 1 61 LYS QE 1 68 SER HA . . 5.500 3.484 2.492 3.917 . 0 0 "[ . 1 . 2]" 1
465 1 61 LYS QB 1 62 ASP H . . 3.500 3.544 3.312 3.783 0.283 16 0 "[ . 1 . 2]" 1
466 1 61 LYS QD 1 62 ASP H . . 3.500 3.696 3.574 3.771 0.271 15 0 "[ . 1 . 2]" 1
467 1 61 LYS QD 1 68 SER H . . 3.500 3.578 3.153 3.754 0.254 7 0 "[ . 1 . 2]" 1
468 1 61 LYS QD 1 69 ALA H . . 3.500 3.241 2.732 3.601 0.101 16 0 "[ . 1 . 2]" 1
469 1 61 LYS QB 1 66 GLY H . . 5.500 5.127 4.427 5.570 0.070 2 0 "[ . 1 . 2]" 1
470 1 61 LYS QB 1 66 GLY QA . . 5.500 4.207 3.060 5.545 0.045 18 0 "[ . 1 . 2]" 1
471 1 62 ASP H 1 69 ALA MB . . 5.500 3.320 1.957 3.841 . 0 0 "[ . 1 . 2]" 1
472 1 62 ASP H 1 69 ALA H . . 5.500 3.453 2.976 4.290 . 0 0 "[ . 1 . 2]" 1
473 1 62 ASP H 1 62 ASP QB . . 2.700 2.308 2.208 2.854 0.154 14 0 "[ . 1 . 2]" 1
474 1 62 ASP QB 1 69 ALA MB . . 3.500 3.485 3.006 3.622 0.122 14 0 "[ . 1 . 2]" 1
475 1 62 ASP H 1 62 ASP HA . . 2.700 2.760 2.624 2.834 0.134 16 0 "[ . 1 . 2]" 1
476 1 62 ASP HA 1 63 PRO QG . . 3.500 3.686 3.590 3.869 0.369 14 0 "[ . 1 . 2]" 1
477 1 62 ASP HA 1 63 PRO QD . . 3.500 1.898 1.866 2.043 . 0 0 "[ . 1 . 2]" 1
478 1 63 PRO HA 1 63 PRO QD . . 3.500 3.010 2.876 3.486 . 0 0 "[ . 1 . 2]" 1
479 1 63 PRO HA 1 63 PRO QG . . 3.500 3.474 3.337 3.504 0.004 12 0 "[ . 1 . 2]" 1
480 1 63 PRO QB 1 63 PRO QD . . 2.700 2.718 2.702 2.823 0.123 14 0 "[ . 1 . 2]" 1
481 1 63 PRO QB 1 64 ASN H . . 2.700 2.782 2.286 2.843 0.143 20 0 "[ . 1 . 2]" 1
482 1 63 PRO QG 1 64 ASN H . . 2.700 2.562 2.402 2.757 0.057 14 0 "[ . 1 . 2]" 1
483 1 64 ASN H 1 64 ASN QB . . 2.700 2.314 2.147 2.774 0.074 14 0 "[ . 1 . 2]" 1
484 1 64 ASN H 1 64 ASN HA . . 2.700 2.825 2.794 2.851 0.151 14 0 "[ . 1 . 2]" 1
485 1 64 ASN HA 1 64 ASN QB . . 2.700 2.361 2.321 2.450 . 0 0 "[ . 1 . 2]" 1
486 1 64 ASN H 1 65 SER H . . 2.700 2.729 1.952 2.815 0.115 12 0 "[ . 1 . 2]" 1
487 1 64 ASN QB 1 65 SER H . . 2.700 2.610 2.426 2.835 0.135 8 0 "[ . 1 . 2]" 1
488 1 65 SER HA 1 65 SER QB . . 2.700 2.346 2.326 2.443 . 0 0 "[ . 1 . 2]" 1
489 1 65 SER H 1 66 GLY H . . 2.700 2.638 2.128 2.765 0.065 4 0 "[ . 1 . 2]" 1
490 1 65 SER H 1 65 SER HA . . 2.700 2.883 2.814 2.962 0.262 9 0 "[ . 1 . 2]" 1
491 1 65 SER H 1 65 SER QB . . 2.700 2.392 2.173 2.654 . 0 0 "[ . 1 . 2]" 1
492 1 65 SER QB 1 66 GLY H . . 2.700 2.459 2.150 2.720 0.020 9 0 "[ . 1 . 2]" 1
493 1 66 GLY H 1 67 ASP H . . 2.700 2.783 2.256 2.971 0.271 13 0 "[ . 1 . 2]" 1
494 1 66 GLY H 1 66 GLY HA3 . . 2.700 2.905 2.859 2.935 0.235 11 0 "[ . 1 . 2]" 1
495 1 66 GLY HA3 1 67 ASP H . . 3.500 2.823 2.751 2.891 . 0 0 "[ . 1 . 2]" 1
496 1 67 ASP H 1 68 SER H . . 3.500 3.164 2.701 3.712 0.212 11 0 "[ . 1 . 2]" 1
497 1 67 ASP H 1 67 ASP QB . . 2.700 2.360 2.188 2.792 0.092 2 0 "[ . 1 . 2]" 1
498 1 67 ASP H 1 67 ASP HA . . 2.700 2.834 2.715 2.930 0.230 3 0 "[ . 1 . 2]" 1
499 1 67 ASP QB 1 68 SER H . . 2.700 2.387 2.036 2.708 0.008 14 0 "[ . 1 . 2]" 1
500 1 67 ASP HA 1 67 ASP QB . . 2.700 2.351 2.128 2.399 . 0 0 "[ . 1 . 2]" 1
501 1 68 SER H 1 69 ALA H . . 5.500 4.422 4.262 4.684 . 0 0 "[ . 1 . 2]" 1
502 1 68 SER H 1 68 SER QB . . 2.700 2.745 2.364 2.949 0.249 17 0 "[ . 1 . 2]" 1
503 1 68 SER H 1 68 SER HA . . 2.700 2.807 2.753 2.882 0.182 14 0 "[ . 1 . 2]" 1
504 1 68 SER HA 1 68 SER QB . . 2.700 2.457 2.179 2.569 . 0 0 "[ . 1 . 2]" 1
505 1 68 SER H 1 71 VAL MG2 . . 5.500 5.468 5.075 5.592 0.092 3 0 "[ . 1 . 2]" 1
506 1 68 SER QB 1 69 ALA H . . 2.700 2.629 2.148 2.821 0.121 6 0 "[ . 1 . 2]" 1
507 1 69 ALA H 1 70 PHE H . . 2.700 2.643 2.260 2.782 0.082 18 0 "[ . 1 . 2]" 1
508 1 69 ALA H 1 69 ALA MB . . 2.700 2.233 2.141 2.675 . 0 0 "[ . 1 . 2]" 1
509 1 69 ALA H 1 69 ALA HA . . 2.700 2.842 2.773 2.917 0.217 7 0 "[ . 1 . 2]" 1
510 1 69 ALA MB 1 70 PHE H . . 5.500 2.862 2.188 3.718 . 0 0 "[ . 1 . 2]" 1
511 1 69 ALA MB 1 70 PHE HA . . 5.500 4.409 4.219 5.235 . 0 0 "[ . 1 . 2]" 1
512 1 70 PHE H 1 70 PHE QB . . 3.500 2.997 2.685 3.536 0.036 14 0 "[ . 1 . 2]" 1
513 1 70 PHE H 1 70 PHE QR . . 3.500 3.216 2.901 3.585 0.085 17 0 "[ . 1 . 2]" 1
514 1 70 PHE HA 1 70 PHE QB . . 2.700 2.224 2.124 2.436 . 0 0 "[ . 1 . 2]" 1
515 1 70 PHE H 1 71 VAL H . . 5.500 4.179 2.871 4.432 . 0 0 "[ . 1 . 2]" 1
516 1 70 PHE H 1 71 VAL QG . . 5.500 4.838 3.227 5.508 0.008 18 0 "[ . 1 . 2]" 1
517 1 70 PHE QR 1 71 VAL H . . 5.500 3.822 2.752 4.948 . 0 0 "[ . 1 . 2]" 1
518 1 70 PHE HA 1 75 GLN QB . . 2.700 2.702 2.184 2.859 0.159 9 0 "[ . 1 . 2]" 1
519 1 70 PHE HA 1 75 GLN QG . . 3.500 2.994 2.027 3.713 0.213 6 0 "[ . 1 . 2]" 1
520 1 70 PHE QR 1 75 GLN QB . . 3.500 3.280 2.341 3.597 0.097 3 0 "[ . 1 . 2]" 1
521 1 70 PHE QB 1 79 MET ME . . 3.500 3.727 3.592 3.826 0.326 15 0 "[ . 1 . 2]" 1
522 1 70 PHE HA 1 70 PHE QR . . 3.500 3.272 2.215 3.653 0.153 12 0 "[ . 1 . 2]" 1
523 1 70 PHE QB 1 70 PHE QR . . 2.700 2.137 2.109 2.189 . 0 0 "[ . 1 . 2]" 1
524 1 70 PHE QR 1 79 MET ME . . 3.500 3.403 2.468 3.623 0.123 8 0 "[ . 1 . 2]" 1
525 1 70 PHE HA 1 71 VAL H . . 2.700 2.314 2.088 2.648 . 0 0 "[ . 1 . 2]" 1
526 1 71 VAL H 1 71 VAL HB . . 2.700 2.276 1.987 2.946 0.246 6 0 "[ . 1 . 2]" 1
527 1 71 VAL H 1 71 VAL HA . . 2.700 2.841 2.790 2.902 0.202 14 0 "[ . 1 . 2]" 1
528 1 71 VAL HA 1 71 VAL MG1 . . 2.700 2.750 2.170 3.145 0.445 19 0 "[ . 1 . 2]" 1
529 1 71 VAL HA 1 71 VAL MG2 . . 2.700 2.224 2.104 2.537 . 0 0 "[ . 1 . 2]" 1
530 1 71 VAL H 1 72 SER H . . 2.700 2.795 2.677 2.907 0.207 6 0 "[ . 1 . 2]" 1
531 1 71 VAL H 1 71 VAL QG . . 3.500 2.697 2.233 3.015 . 0 0 "[ . 1 . 2]" 1
532 1 71 VAL QG 1 72 SER H . . 5.500 2.575 1.847 3.368 . 0 0 "[ . 1 . 2]" 1
533 1 71 VAL HB 1 72 SER H . . 3.500 2.909 1.961 3.706 0.206 19 0 "[ . 1 . 2]" 1
534 1 71 VAL MG1 1 74 GLU HA . . 5.500 5.615 5.487 5.686 0.186 20 0 "[ . 1 . 2]" 1
535 1 71 VAL MG1 1 74 GLU QB . . 5.500 3.962 3.067 5.779 0.279 4 0 "[ . 1 . 2]" 1
536 1 71 VAL MG1 1 74 GLU QG . . 5.500 4.521 2.405 5.578 0.078 6 0 "[ . 1 . 2]" 1
537 1 72 SER H 1 73 PHE H . . 5.500 3.357 2.107 4.315 . 0 0 "[ . 1 . 2]" 1
538 1 72 SER H 1 72 SER QB . . 3.500 3.181 2.953 3.475 . 0 0 "[ . 1 . 2]" 1
539 1 72 SER H 1 72 SER HA . . 2.700 2.690 2.293 2.875 0.175 19 0 "[ . 1 . 2]" 1
540 1 72 SER HA 1 72 SER QB . . 2.700 2.349 2.195 2.490 . 0 0 "[ . 1 . 2]" 1
541 1 72 SER QB 1 73 PHE H . . 2.700 2.494 2.021 2.756 0.056 6 0 "[ . 1 . 2]" 1
542 1 72 SER HA 1 73 PHE H . . 3.500 3.216 2.743 3.605 0.105 19 0 "[ . 1 . 2]" 1
543 1 73 PHE H 1 73 PHE QB . . 3.500 2.515 2.012 3.263 . 0 0 "[ . 1 . 2]" 1
544 1 73 PHE H 1 73 PHE HA . . 2.700 2.803 2.508 2.947 0.247 9 0 "[ . 1 . 2]" 1
545 1 73 PHE QD 1 77 THR MG . . 3.500 3.599 3.554 3.644 0.144 4 0 "[ . 1 . 2]" 1
546 1 73 PHE QE 1 77 THR MG . . 3.500 2.938 2.413 3.502 0.002 17 0 "[ . 1 . 2]" 1
547 1 73 PHE H 1 74 GLU H . . 2.700 2.617 2.167 2.855 0.155 13 0 "[ . 1 . 2]" 1
548 1 73 PHE QB 1 74 GLU H . . 2.700 2.484 2.176 2.769 0.069 13 0 "[ . 1 . 2]" 1
549 1 73 PHE HA 1 73 PHE QR . . 3.500 3.010 2.367 3.265 . 0 0 "[ . 1 . 2]" 1
550 1 73 PHE QR 1 74 GLU H . . 3.500 3.461 3.159 3.600 0.100 1 0 "[ . 1 . 2]" 1
551 1 74 GLU H 1 75 GLN H . . 2.700 2.823 2.745 2.893 0.193 11 0 "[ . 1 . 2]" 1
552 1 74 GLU H 1 74 GLU QB . . 3.500 2.416 2.110 2.601 . 0 0 "[ . 1 . 2]" 1
553 1 74 GLU H 1 74 GLU HA . . 2.700 2.799 2.760 2.816 0.116 16 0 "[ . 1 . 2]" 1
554 1 74 GLU HA 1 74 GLU QB . . 2.700 2.351 2.125 2.411 . 0 0 "[ . 1 . 2]" 1
555 1 74 GLU HA 1 74 GLU QG . . 3.500 2.626 2.321 3.394 . 0 0 "[ . 1 . 2]" 1
556 1 74 GLU H 1 74 GLU QG . . 3.500 2.212 2.012 2.682 . 0 0 "[ . 1 . 2]" 1
557 1 74 GLU HA 1 77 THR HB . . 3.500 3.144 2.373 3.544 0.044 3 0 "[ . 1 . 2]" 1
558 1 74 GLU QB 1 75 GLN H . . 3.500 2.513 2.246 3.553 0.053 4 0 "[ . 1 . 2]" 1
559 1 75 GLN H 1 75 GLN HA . . 2.700 2.852 2.834 2.884 0.184 13 0 "[ . 1 . 2]" 1
560 1 75 GLN HA 1 75 GLN QG . . 3.500 2.957 2.276 3.308 . 0 0 "[ . 1 . 2]" 1
561 1 75 GLN H 1 75 GLN QB . . 2.700 2.518 2.264 2.771 0.071 17 0 "[ . 1 . 2]" 1
562 1 75 GLN H 1 76 GLN H . . 2.700 2.622 2.501 2.717 0.017 8 0 "[ . 1 . 2]" 1
563 1 75 GLN HA 1 78 ALA MB . . 3.500 2.714 2.406 2.957 . 0 0 "[ . 1 . 2]" 1
564 1 75 GLN QB 1 76 GLN H . . 2.700 2.586 2.325 2.709 0.009 5 0 "[ . 1 . 2]" 1
565 1 75 GLN QG 1 76 GLN H . . 3.500 3.709 3.585 3.773 0.273 10 0 "[ . 1 . 2]" 1
566 1 76 GLN H 1 76 GLN QB . . 2.700 2.221 2.158 2.316 . 0 0 "[ . 1 . 2]" 1
567 1 76 GLN H 1 76 GLN HA . . 2.700 2.824 2.777 2.873 0.173 4 0 "[ . 1 . 2]" 1
568 1 76 GLN HA 1 79 MET QB . . 3.500 3.036 2.309 3.749 0.249 3 0 "[ . 1 . 2]" 1
569 1 76 GLN HA 1 76 GLN QB . . 2.700 2.377 2.291 2.438 . 0 0 "[ . 1 . 2]" 1
570 1 76 GLN HA 1 76 GLN QG . . 3.500 2.432 2.303 2.698 . 0 0 "[ . 1 . 2]" 1
571 1 76 GLN H 1 77 THR H . . 2.700 2.819 2.763 2.869 0.169 15 0 "[ . 1 . 2]" 1
572 1 76 GLN HA 1 80 LEU MD1 . . 5.500 4.710 3.272 5.662 0.162 4 0 "[ . 1 . 2]" 1
573 1 76 GLN QB 1 77 THR H . . 2.700 2.455 2.310 2.704 0.004 7 0 "[ . 1 . 2]" 1
574 1 76 GLN HA 1 79 MET H . . 3.500 3.573 3.450 3.659 0.159 9 0 "[ . 1 . 2]" 1
575 1 77 THR H 1 78 ALA H . . 2.700 2.764 2.731 2.797 0.097 4 0 "[ . 1 . 2]" 1
576 1 77 THR H 1 77 THR HB . . 2.700 1.976 1.821 2.052 . 0 0 "[ . 1 . 2]" 1
577 1 77 THR H 1 77 THR HA . . 2.700 2.857 2.814 2.884 0.184 7 0 "[ . 1 . 2]" 1
578 1 77 THR H 1 77 THR MG . . 3.500 3.510 3.412 3.548 0.048 2 0 "[ . 1 . 2]" 1
579 1 77 THR H 1 78 ALA MB . . 5.500 4.550 4.497 4.600 . 0 0 "[ . 1 . 2]" 1
580 1 77 THR HA 1 77 THR HB . . 2.700 2.943 2.919 2.961 0.261 2 0 "[ . 1 . 2]" 1
581 1 77 THR HA 1 77 THR MG . . 3.500 2.873 2.776 3.034 . 0 0 "[ . 1 . 2]" 1
582 1 77 THR MG 1 78 ALA H . . 2.700 2.795 2.745 2.842 0.142 11 0 "[ . 1 . 2]" 1
583 1 77 THR HB 1 78 ALA H . . 2.700 2.799 2.730 2.881 0.181 4 0 "[ . 1 . 2]" 1
584 1 77 THR HA 1 80 LEU HB3 . . 3.500 3.848 3.743 3.905 0.405 16 0 "[ . 1 . 2]" 1
585 1 77 THR HA 1 80 LEU HB2 . . 5.500 2.601 2.216 2.707 . 0 0 "[ . 1 . 2]" 1
586 1 77 THR HA 1 80 LEU HG . . 5.500 4.671 4.126 5.078 . 0 0 "[ . 1 . 2]" 1
587 1 77 THR HA 1 80 LEU MD1 . . 5.500 4.558 2.649 5.530 0.030 2 0 "[ . 1 . 2]" 1
588 1 77 THR HA 1 80 LEU MD2 . . 5.500 4.459 3.852 5.316 . 0 0 "[ . 1 . 2]" 1
589 1 77 THR MG 1 78 ALA HA . . 3.500 3.363 3.210 3.496 . 0 0 "[ . 1 . 2]" 1
590 1 77 THR HA 1 80 LEU H . . 3.500 3.441 3.176 3.603 0.103 4 0 "[ . 1 . 2]" 1
591 1 77 THR MG 1 81 GLN QG . . 5.500 4.054 2.456 5.120 . 0 0 "[ . 1 . 2]" 1
592 1 78 ALA H 1 78 ALA MB . . 2.700 2.356 2.320 2.391 . 0 0 "[ . 1 . 2]" 1
593 1 78 ALA H 1 78 ALA HA . . 2.700 2.844 2.823 2.869 0.169 4 0 "[ . 1 . 2]" 1
594 1 78 ALA MB 1 82 ASN HA . . 5.500 5.624 5.563 5.653 0.153 13 0 "[ . 1 . 2]" 1
595 1 78 ALA MB 1 82 ASN QB . . 3.500 3.600 3.579 3.629 0.129 11 0 "[ . 1 . 2]" 1
596 1 78 ALA H 1 79 MET H . . 2.700 2.839 2.800 2.876 0.176 12 0 "[ . 1 . 2]" 1
597 1 78 ALA HA 1 81 GLN QB . . 2.700 2.616 2.453 2.723 0.023 12 0 "[ . 1 . 2]" 1
598 1 78 ALA HA 1 81 GLN QG . . 5.500 4.237 3.555 4.685 . 0 0 "[ . 1 . 2]" 1
599 1 78 ALA MB 1 79 MET H . . 3.500 2.628 2.552 2.750 . 0 0 "[ . 1 . 2]" 1
600 1 78 ALA MB 1 81 GLN QB . . 5.500 3.997 3.804 4.136 . 0 0 "[ . 1 . 2]" 1
601 1 78 ALA MB 1 81 GLN QG . . 5.500 5.211 4.739 5.501 0.001 12 0 "[ . 1 . 2]" 1
602 1 79 MET HA 1 79 MET QB . . 2.700 2.228 2.084 2.416 . 0 0 "[ . 1 . 2]" 1
603 1 79 MET HA 1 82 ASN QB . . 2.700 2.512 2.261 2.718 0.018 2 0 "[ . 1 . 2]" 1
604 1 79 MET H 1 80 LEU H . . 2.700 2.744 2.689 2.795 0.095 7 0 "[ . 1 . 2]" 1
605 1 79 MET H 1 79 MET HA . . 2.700 2.866 2.853 2.886 0.186 9 0 "[ . 1 . 2]" 1
606 1 79 MET H 1 79 MET QB . . 2.700 2.391 2.313 2.694 . 0 0 "[ . 1 . 2]" 1
607 1 79 MET HA 1 83 MET ME . . 3.500 3.637 3.544 3.745 0.245 4 0 "[ . 1 . 2]" 1
608 1 79 MET QB 1 83 MET ME . . 3.500 3.444 3.136 3.732 0.232 11 0 "[ . 1 . 2]" 1
609 1 79 MET ME 1 83 MET ME . . 3.500 2.788 2.435 3.533 0.033 11 0 "[ . 1 . 2]" 1
610 1 79 MET H 1 79 MET ME . . 5.500 4.595 4.100 4.781 . 0 0 "[ . 1 . 2]" 1
611 1 79 MET HA 1 79 MET ME . . 3.500 3.598 3.486 3.873 0.373 11 0 "[ . 1 . 2]" 1
612 1 79 MET ME 1 80 LEU MD1 . . 2.700 2.891 2.811 3.002 0.302 13 0 "[ . 1 . 2]" 1
613 1 79 MET ME 1 80 LEU MD2 . . 2.700 2.403 2.039 2.833 0.133 12 0 "[ . 1 . 2]" 1
614 1 79 MET QB 1 80 LEU H . . 3.500 2.856 2.059 3.595 0.095 4 0 "[ . 1 . 2]" 1
615 1 80 LEU H 1 81 GLN H . . 2.700 2.739 2.717 2.778 0.078 11 0 "[ . 1 . 2]" 1
616 1 80 LEU H 1 80 LEU HA . . 2.700 2.818 2.788 2.841 0.141 17 0 "[ . 1 . 2]" 1
617 1 80 LEU H 1 80 LEU HB2 . . 2.700 2.044 2.000 2.140 . 0 0 "[ . 1 . 2]" 1
618 1 80 LEU H 1 80 LEU HB3 . . 3.500 3.362 3.317 3.438 . 0 0 "[ . 1 . 2]" 1
619 1 80 LEU HB3 1 80 LEU MD2 . . 3.500 2.938 2.356 3.280 . 0 0 "[ . 1 . 2]" 1
620 1 80 LEU HA 1 80 LEU HG . . 3.500 3.081 2.196 3.577 0.077 19 0 "[ . 1 . 2]" 1
621 1 80 LEU HA 1 80 LEU MD2 . . 2.700 2.311 2.002 2.654 . 0 0 "[ . 1 . 2]" 1
622 1 80 LEU HA 1 80 LEU MD1 . . 3.500 2.672 1.980 3.700 0.200 12 0 "[ . 1 . 2]" 1
623 1 80 LEU MD1 1 101 LEU QD . . 3.500 2.975 2.239 3.515 0.015 11 0 "[ . 1 . 2]" 1
624 1 80 LEU MD2 1 101 LEU QD . . 3.500 3.345 3.119 3.612 0.112 2 0 "[ . 1 . 2]" 1
625 1 80 LEU MD1 1 101 LEU QB . . 3.500 2.734 2.205 3.280 . 0 0 "[ . 1 . 2]" 1
626 1 80 LEU MD2 1 101 LEU QB . . 3.500 3.261 2.382 3.661 0.161 8 0 "[ . 1 . 2]" 1
627 1 80 LEU MD1 1 100 VAL MG2 . . 3.500 2.447 2.066 2.997 . 0 0 "[ . 1 . 2]" 1
628 1 80 LEU HA 1 83 MET QB . . 3.500 2.354 2.010 2.982 . 0 0 "[ . 1 . 2]" 1
629 1 80 LEU MD2 1 83 MET QB . . 3.500 3.525 2.885 3.785 0.285 2 0 "[ . 1 . 2]" 1
630 1 80 LEU HA 1 83 MET QG . . 3.500 3.127 2.720 3.407 . 0 0 "[ . 1 . 2]" 1
631 1 80 LEU MD2 1 83 MET QG . . 5.500 3.444 2.883 3.737 . 0 0 "[ . 1 . 2]" 1
632 1 80 LEU HB2 1 81 GLN H . . 2.700 2.855 2.768 2.931 0.231 2 0 "[ . 1 . 2]" 1
633 1 80 LEU H 1 80 LEU QD . . 3.500 2.708 2.379 3.095 . 0 0 "[ . 1 . 2]" 1
634 1 80 LEU HA 1 83 MET H . . 3.500 3.191 2.991 3.507 0.007 11 0 "[ . 1 . 2]" 1
635 1 80 LEU MD2 1 100 VAL HB . . 5.500 4.731 4.130 5.312 . 0 0 "[ . 1 . 2]" 1
636 1 80 LEU MD1 1 100 VAL HB . . 5.500 4.559 4.278 5.028 . 0 0 "[ . 1 . 2]" 1
637 1 80 LEU MD2 1 100 VAL MG1 . . 5.500 4.889 4.037 5.526 0.026 2 0 "[ . 1 . 2]" 1
638 1 80 LEU MD1 1 101 LEU HA . . 3.500 3.097 2.394 3.573 0.073 13 0 "[ . 1 . 2]" 1
639 1 80 LEU MD2 1 101 LEU HA . . 3.500 3.502 3.229 3.592 0.092 12 0 "[ . 1 . 2]" 1
640 1 81 GLN HA 1 81 GLN QB . . 2.700 2.405 2.352 2.521 . 0 0 "[ . 1 . 2]" 1
641 1 81 GLN HA 1 81 GLN QG . . 3.500 2.544 2.345 3.080 . 0 0 "[ . 1 . 2]" 1
642 1 81 GLN HA 1 84 LEU QB . . 5.500 2.890 2.607 3.219 . 0 0 "[ . 1 . 2]" 1
643 1 81 GLN HA 1 84 LEU MD1 . . 5.500 3.292 2.767 3.844 . 0 0 "[ . 1 . 2]" 1
644 1 81 GLN H 1 82 ASN H . . 2.700 2.760 2.732 2.784 0.084 2 0 "[ . 1 . 2]" 1
645 1 81 GLN QB 1 84 LEU MD1 . . 5.500 4.819 4.152 5.258 . 0 0 "[ . 1 . 2]" 1
646 1 81 GLN QG 1 84 LEU MD1 . . 5.500 4.439 3.585 5.511 0.011 19 0 "[ . 1 . 2]" 1
647 1 81 GLN QG 1 101 LEU QD . . 5.700 4.092 2.404 5.701 0.001 19 0 "[ . 1 . 2]" 1
648 1 81 GLN QB 1 101 LEU QD . . 5.700 4.231 2.944 4.834 . 0 0 "[ . 1 . 2]" 1
649 1 82 ASN H 1 82 ASN QB . . 2.700 2.226 2.178 2.268 . 0 0 "[ . 1 . 2]" 1
650 1 82 ASN H 1 82 ASN HA . . 2.700 2.805 2.798 2.812 0.112 19 0 "[ . 1 . 2]" 1
651 1 82 ASN HA 1 82 ASN QB . . 2.700 2.372 2.351 2.408 . 0 0 "[ . 1 . 2]" 1
652 1 82 ASN H 1 83 MET H . . 2.700 2.728 2.704 2.754 0.054 3 0 "[ . 1 . 2]" 1
653 1 82 ASN HA 1 85 ALA MB . . 3.500 2.514 2.366 2.712 . 0 0 "[ . 1 . 2]" 1
654 1 82 ASN HA 1 85 ALA H . . 3.500 3.456 3.194 3.573 0.073 7 0 "[ . 1 . 2]" 1
655 1 83 MET H 1 84 LEU H . . 2.700 2.818 2.773 2.862 0.162 3 0 "[ . 1 . 2]" 1
656 1 83 MET HA 1 83 MET QB . . 2.700 2.445 2.348 2.500 . 0 0 "[ . 1 . 2]" 1
657 1 83 MET QB 1 83 MET ME . . 3.500 3.594 3.520 3.637 0.137 3 0 "[ . 1 . 2]" 1
658 1 83 MET ME 1 83 MET QG . . 2.700 2.104 2.057 2.240 . 0 0 "[ . 1 . 2]" 1
659 1 83 MET QB 1 97 LEU MD1 . . 3.500 2.306 2.179 2.570 . 0 0 "[ . 1 . 2]" 1
660 1 83 MET QB 1 97 LEU MD2 . . 3.500 3.483 3.225 3.561 0.061 2 0 "[ . 1 . 2]" 1
661 1 83 MET QG 1 97 LEU MD1 . . 5.500 2.420 2.108 3.059 . 0 0 "[ . 1 . 2]" 1
662 1 83 MET QG 1 97 LEU MD2 . . 5.500 4.318 3.995 4.503 . 0 0 "[ . 1 . 2]" 1
663 1 83 MET ME 1 86 LYS QE . . 3.500 3.272 2.720 3.522 0.022 5 0 "[ . 1 . 2]" 1
664 1 83 MET ME 1 86 LYS QD . . 3.500 2.993 2.670 3.575 0.075 11 0 "[ . 1 . 2]" 1
665 1 83 MET H 1 83 MET HA . . 2.700 2.821 2.805 2.850 0.150 12 0 "[ . 1 . 2]" 1
666 1 83 MET H 1 83 MET QB . . 2.700 2.369 2.277 2.526 . 0 0 "[ . 1 . 2]" 1
667 1 83 MET H 1 83 MET QG . . 3.500 2.726 2.434 2.884 . 0 0 "[ . 1 . 2]" 1
668 1 83 MET H 1 83 MET ME . . 5.500 3.696 3.165 4.200 . 0 0 "[ . 1 . 2]" 1
669 1 84 LEU H 1 84 LEU QB . . 2.700 2.419 2.343 2.638 . 0 0 "[ . 1 . 2]" 1
670 1 84 LEU H 1 84 LEU HA . . 2.700 2.825 2.815 2.833 0.133 4 0 "[ . 1 . 2]" 1
671 1 84 LEU HA 1 84 LEU QB . . 2.700 2.357 2.307 2.382 . 0 0 "[ . 1 . 2]" 1
672 1 84 LEU MD1 1 84 LEU MD2 . . 2.700 1.999 1.981 2.018 . 0 0 "[ . 1 . 2]" 1
673 1 84 LEU MD1 1 98 ASN QB . . 5.500 3.084 2.672 4.006 . 0 0 "[ . 1 . 2]" 1
674 1 84 LEU MD2 1 98 ASN QB . . 5.500 3.017 2.762 3.972 . 0 0 "[ . 1 . 2]" 1
675 1 84 LEU HA 1 87 VAL MG2 . . 5.500 4.486 4.308 4.614 . 0 0 "[ . 1 . 2]" 1
676 1 84 LEU MD2 1 87 VAL MG2 . . 5.500 4.204 4.027 4.540 . 0 0 "[ . 1 . 2]" 1
677 1 84 LEU MD2 1 87 VAL HB . . 5.500 4.813 4.595 5.235 . 0 0 "[ . 1 . 2]" 1
678 1 84 LEU MD2 1 94 TYR HA . . 5.500 2.819 2.639 3.154 . 0 0 "[ . 1 . 2]" 1
679 1 84 LEU MD2 1 97 LEU QB . . 5.500 1.806 1.785 1.838 . 0 0 "[ . 1 . 2]" 1
680 1 84 LEU MD2 1 97 LEU MD1 . . 3.500 3.587 3.562 3.610 0.110 20 0 "[ . 1 . 2]" 1
681 1 84 LEU MD2 1 97 LEU MD2 . . 3.500 3.236 3.118 3.375 . 0 0 "[ . 1 . 2]" 1
682 1 84 LEU MD1 1 97 LEU MD1 . . 5.500 5.072 4.775 5.288 . 0 0 "[ . 1 . 2]" 1
683 1 84 LEU MD1 1 97 LEU MD2 . . 5.500 5.302 5.165 5.448 . 0 0 "[ . 1 . 2]" 1
684 1 84 LEU H 1 85 ALA H . . 2.700 2.769 2.748 2.791 0.091 18 0 "[ . 1 . 2]" 1
685 1 84 LEU QD 1 101 LEU QD . . 3.500 2.765 2.398 3.505 0.005 17 0 "[ . 1 . 2]" 1
686 1 84 LEU QB 1 97 LEU QB . . 5.500 4.391 4.271 4.527 . 0 0 "[ . 1 . 2]" 1
687 1 84 LEU QD 1 98 ASN H . . 3.500 2.550 2.447 2.812 . 0 0 "[ . 1 . 2]" 1
688 1 84 LEU QD 1 98 ASN HA . . 3.500 2.555 2.371 2.934 . 0 0 "[ . 1 . 2]" 1
689 1 84 LEU HA 1 94 TYR QD . . 3.500 3.092 2.846 3.311 . 0 0 "[ . 1 . 2]" 1
690 1 84 LEU HA 1 94 TYR QE . . 5.500 4.356 3.969 4.632 . 0 0 "[ . 1 . 2]" 1
691 1 84 LEU QB 1 94 TYR QD . . 3.500 3.208 2.927 3.416 . 0 0 "[ . 1 . 2]" 1
692 1 84 LEU MD1 1 94 TYR QD . . 3.500 3.596 3.565 3.641 0.141 11 0 "[ . 1 . 2]" 1
693 1 84 LEU QB 1 85 ALA H . . 2.700 2.730 2.631 2.782 0.082 5 0 "[ . 1 . 2]" 1
694 1 84 LEU H 1 84 LEU MD1 . . 3.500 3.697 3.669 3.745 0.245 14 0 "[ . 1 . 2]" 1
695 1 84 LEU H 1 84 LEU MD2 . . 3.500 3.034 2.768 3.228 . 0 0 "[ . 1 . 2]" 1
696 1 84 LEU MD1 1 85 ALA H . . 5.500 4.767 4.651 4.848 . 0 0 "[ . 1 . 2]" 1
697 1 84 LEU MD2 1 85 ALA H . . 5.500 4.667 4.552 4.717 . 0 0 "[ . 1 . 2]" 1
698 1 84 LEU MD1 1 97 LEU H . . 5.500 5.571 5.541 5.620 0.120 3 0 "[ . 1 . 2]" 1
699 1 84 LEU HA 1 97 LEU MD2 . . 5.500 4.658 4.454 4.912 . 0 0 "[ . 1 . 2]" 1
700 1 85 ALA H 1 85 ALA MB . . 2.700 2.237 2.224 2.251 . 0 0 "[ . 1 . 2]" 1
701 1 85 ALA H 1 85 ALA HA . . 2.700 2.837 2.826 2.847 0.147 5 0 "[ . 1 . 2]" 1
702 1 85 ALA H 1 86 LYS H . . 2.700 2.739 2.713 2.755 0.055 2 0 "[ . 1 . 2]" 1
703 1 85 ALA MB 1 86 LYS H . . 3.500 2.875 2.810 2.985 . 0 0 "[ . 1 . 2]" 1
704 1 86 LYS H 1 86 LYS QB . . 2.700 2.322 2.250 2.495 . 0 0 "[ . 1 . 2]" 1
705 1 86 LYS H 1 86 LYS HA . . 2.700 2.897 2.889 2.907 0.207 3 0 "[ . 1 . 2]" 1
706 1 86 LYS HA 1 86 LYS QB . . 2.700 2.422 2.353 2.468 . 0 0 "[ . 1 . 2]" 1
707 1 86 LYS HA 1 86 LYS QG . . 3.500 2.337 2.306 2.399 . 0 0 "[ . 1 . 2]" 1
708 1 86 LYS HA 1 86 LYS QE . . 5.500 4.717 4.305 5.183 . 0 0 "[ . 1 . 2]" 1
709 1 86 LYS QB 1 86 LYS QD . . 3.500 2.212 2.106 2.394 . 0 0 "[ . 1 . 2]" 1
710 1 86 LYS QE 1 86 LYS QG . . 3.500 2.549 2.331 2.857 . 0 0 "[ . 1 . 2]" 1
711 1 86 LYS H 1 87 VAL H . . 2.700 2.671 2.642 2.733 0.033 5 0 "[ . 1 . 2]" 1
712 1 86 LYS H 1 87 VAL MG1 . . 3.500 3.631 3.601 3.671 0.171 14 0 "[ . 1 . 2]" 1
713 1 86 LYS QB 1 87 VAL H . . 2.700 2.523 2.411 2.640 . 0 0 "[ . 1 . 2]" 1
714 1 87 VAL H 1 87 VAL HB . . 2.700 2.572 2.481 2.835 0.135 5 0 "[ . 1 . 2]" 1
715 1 87 VAL H 1 87 VAL HA . . 2.700 2.835 2.824 2.861 0.161 19 0 "[ . 1 . 2]" 1
716 1 87 VAL HA 1 87 VAL HB . . 2.700 2.345 2.217 2.393 . 0 0 "[ . 1 . 2]" 1
717 1 87 VAL HA 1 87 VAL MG1 . . 3.500 3.232 3.204 3.241 . 0 0 "[ . 1 . 2]" 1
718 1 87 VAL HA 1 87 VAL MG2 . . 3.500 2.530 2.501 2.640 . 0 0 "[ . 1 . 2]" 1
719 1 87 VAL MG1 1 87 VAL MG2 . . 2.700 2.005 1.988 2.045 . 0 0 "[ . 1 . 2]" 1
720 1 87 VAL MG1 1 93 LEU QB . . 5.500 4.242 4.168 4.319 . 0 0 "[ . 1 . 2]" 1
721 1 87 VAL MG1 1 94 TYR HA . . 2.700 2.313 2.198 2.586 . 0 0 "[ . 1 . 2]" 1
722 1 87 VAL MG2 1 94 TYR HA . . 2.700 2.782 2.762 2.809 0.109 12 0 "[ . 1 . 2]" 1
723 1 87 VAL MG1 1 94 TYR QB . . 5.500 2.346 2.127 3.308 . 0 0 "[ . 1 . 2]" 1
724 1 87 VAL H 1 88 GLU H . . 5.500 4.618 4.548 4.636 . 0 0 "[ . 1 . 2]" 1
725 1 87 VAL MG1 1 93 LEU MD2 . . 3.500 3.587 3.406 3.621 0.121 12 0 "[ . 1 . 2]" 1
726 1 87 VAL MG1 1 93 LEU HG . . 3.500 3.448 3.050 3.522 0.022 14 0 "[ . 1 . 2]" 1
727 1 87 VAL MG2 1 93 LEU HG . . 3.500 2.412 2.315 2.568 . 0 0 "[ . 1 . 2]" 1
728 1 87 VAL H 1 87 VAL QG . . 3.500 1.928 1.894 1.984 . 0 0 "[ . 1 . 2]" 1
729 1 87 VAL QG 1 88 GLU H . . 3.500 1.983 1.699 2.276 . 0 0 "[ . 1 . 2]" 1
730 1 87 VAL HB 1 88 GLU H . . 3.500 3.676 3.629 3.691 0.191 10 0 "[ . 1 . 2]" 1
731 1 88 GLU H 1 88 GLU HA . . 2.700 2.862 2.788 2.910 0.210 19 0 "[ . 1 . 2]" 1
732 1 88 GLU H 1 91 THR MG . . 5.500 3.559 3.132 4.084 . 0 0 "[ . 1 . 2]" 1
733 1 88 GLU H 1 89 PRO QG . . 5.500 5.707 5.638 5.769 0.269 5 0 "[ . 1 . 2]" 1
734 1 88 GLU H 1 88 GLU QB . . 2.700 2.450 2.255 2.728 0.028 5 0 "[ . 1 . 2]" 1
735 1 88 GLU H 1 88 GLU QG . . 3.500 2.707 2.170 3.513 0.013 11 0 "[ . 1 . 2]" 1
736 1 88 GLU HA 1 89 PRO QG . . 3.500 3.503 3.258 3.691 0.191 16 0 "[ . 1 . 2]" 1
737 1 88 GLU HA 1 89 PRO QD . . 3.500 1.899 1.868 2.067 . 0 0 "[ . 1 . 2]" 1
738 1 88 GLU QB 1 91 THR MG . . 3.500 2.275 2.092 3.515 0.015 5 0 "[ . 1 . 2]" 1
739 1 88 GLU QB 1 89 PRO QG . . 3.500 3.530 2.772 3.753 0.253 17 0 "[ . 1 . 2]" 1
740 1 88 GLU QG 1 89 PRO QG . . 5.500 4.980 3.843 5.298 . 0 0 "[ . 1 . 2]" 1
741 1 88 GLU QG 1 91 THR MG . . 3.500 3.385 2.026 3.548 0.048 19 0 "[ . 1 . 2]" 1
742 1 89 PRO HA 1 89 PRO QG . . 3.500 3.401 2.768 3.467 . 0 0 "[ . 1 . 2]" 1
743 1 89 PRO HA 1 89 PRO QD . . 3.500 2.945 2.822 3.450 . 0 0 "[ . 1 . 2]" 1
744 1 89 PRO QB 1 89 PRO QD . . 2.700 2.548 2.468 2.641 . 0 0 "[ . 1 . 2]" 1
745 1 89 PRO QB 1 90 GLY H . . 2.700 2.786 2.765 2.801 0.101 18 0 "[ . 1 . 2]" 1
746 1 89 PRO HA 1 94 TYR QB . . 5.500 3.000 2.651 4.751 . 0 0 "[ . 1 . 2]" 1
747 1 89 PRO HA 1 94 TYR QD . . 5.500 3.372 3.039 4.675 . 0 0 "[ . 1 . 2]" 1
748 1 89 PRO HA 1 94 TYR QE . . 5.500 4.225 3.805 5.140 . 0 0 "[ . 1 . 2]" 1
749 1 89 PRO QB 1 94 TYR QD . . 5.500 4.462 4.128 5.594 0.094 16 0 "[ . 1 . 2]" 1
750 1 90 GLY H 1 90 GLY QA . . 2.700 2.222 2.181 2.491 . 0 0 "[ . 1 . 2]" 1
751 1 90 GLY H 1 91 THR H . . 3.500 2.963 2.473 3.504 0.004 5 0 "[ . 1 . 2]" 1
752 1 90 GLY QA 1 91 THR H . . 2.700 2.797 2.758 2.851 0.151 17 0 "[ . 1 . 2]" 1
753 1 91 THR H 1 91 THR HB . . 3.500 3.620 3.568 3.756 0.256 5 0 "[ . 1 . 2]" 1
754 1 91 THR H 1 91 THR HA . . 2.700 2.838 2.779 2.909 0.209 5 0 "[ . 1 . 2]" 1
755 1 91 THR H 1 91 THR MG . . 3.500 2.387 2.269 3.243 . 0 0 "[ . 1 . 2]" 1
756 1 91 THR HA 1 91 THR MG . . 2.700 2.383 2.329 2.409 . 0 0 "[ . 1 . 2]" 1
757 1 91 THR MG 1 93 LEU H . . 5.500 3.681 3.630 3.720 . 0 0 "[ . 1 . 2]" 1
758 1 91 THR MG 1 93 LEU HA . . 5.500 5.579 5.531 5.688 0.188 11 0 "[ . 1 . 2]" 1
759 1 91 THR MG 1 92 HIS H . . 3.500 3.548 3.407 3.594 0.094 19 0 "[ . 1 . 2]" 1
760 1 91 THR HB 1 92 HIS H . . 2.700 2.414 2.275 2.533 . 0 0 "[ . 1 . 2]" 1
761 1 91 THR HB 1 93 LEU H . . 3.500 2.035 2.006 2.079 . 0 0 "[ . 1 . 2]" 1
762 1 92 HIS HA 1 92 HIS QB . . 2.700 2.436 2.314 2.483 . 0 0 "[ . 1 . 2]" 1
763 1 92 HIS H 1 93 LEU H . . 2.700 2.517 2.414 2.729 0.029 16 0 "[ . 1 . 2]" 1
764 1 92 HIS H 1 92 HIS HB2 . . 2.700 2.368 2.247 2.492 . 0 0 "[ . 1 . 2]" 1
765 1 92 HIS H 1 92 HIS HB3 . . 2.700 2.616 2.261 2.736 0.036 18 0 "[ . 1 . 2]" 1
766 1 92 HIS HB3 1 93 LEU H . . 2.700 2.877 2.520 2.965 0.265 3 0 "[ . 1 . 2]" 1
767 1 92 HIS HA 1 95 GLU QB . . 2.700 2.584 2.295 2.749 0.049 11 0 "[ . 1 . 2]" 1
768 1 92 HIS H 1 92 HIS HA . . 2.700 2.866 2.808 2.892 0.192 2 0 "[ . 1 . 2]" 1
769 1 93 LEU H 1 93 LEU QB . . 2.700 2.305 2.274 2.358 . 0 0 "[ . 1 . 2]" 1
770 1 93 LEU H 1 93 LEU HA . . 2.700 2.789 2.768 2.806 0.106 16 0 "[ . 1 . 2]" 1
771 1 93 LEU H 1 93 LEU MD1 . . 5.500 4.153 4.104 4.205 . 0 0 "[ . 1 . 2]" 1
772 1 93 LEU H 1 93 LEU MD2 . . 5.500 4.422 4.365 4.487 . 0 0 "[ . 1 . 2]" 1
773 1 93 LEU H 1 93 LEU HG . . 5.500 4.477 4.456 4.507 . 0 0 "[ . 1 . 2]" 1
774 1 93 LEU HA 1 93 LEU QB . . 2.700 2.358 2.337 2.383 . 0 0 "[ . 1 . 2]" 1
775 1 93 LEU MD1 1 93 LEU MD2 . . 2.700 2.053 2.023 2.103 . 0 0 "[ . 1 . 2]" 1
776 1 93 LEU H 1 94 TYR H . . 2.700 2.848 2.778 2.893 0.193 8 0 "[ . 1 . 2]" 1
777 1 93 LEU HA 1 96 ALA MB . . 3.500 2.646 2.508 2.776 . 0 0 "[ . 1 . 2]" 1
778 1 93 LEU MD2 1 97 LEU MD2 . . 3.500 2.901 2.791 3.049 . 0 0 "[ . 1 . 2]" 1
779 1 93 LEU QB 1 97 LEU MD2 . . 5.500 3.712 3.650 3.792 . 0 0 "[ . 1 . 2]" 1
780 1 93 LEU HG 1 97 LEU MD2 . . 3.500 2.068 2.017 2.136 . 0 0 "[ . 1 . 2]" 1
781 1 93 LEU HG 1 94 TYR H . . 3.500 3.527 3.496 3.571 0.071 17 0 "[ . 1 . 2]" 1
782 1 93 LEU QB 1 94 TYR H . . 2.700 2.489 2.443 2.541 . 0 0 "[ . 1 . 2]" 1
783 1 93 LEU MD1 1 96 ALA MB . . 3.500 2.629 2.407 2.921 . 0 0 "[ . 1 . 2]" 1
784 1 93 LEU MD2 1 96 ALA MB . . 5.500 4.917 4.711 5.072 . 0 0 "[ . 1 . 2]" 1
785 1 94 TYR H 1 94 TYR QB . . 2.700 2.174 2.139 2.199 . 0 0 "[ . 1 . 2]" 1
786 1 94 TYR H 1 94 TYR HA . . 2.700 2.806 2.790 2.816 0.116 4 0 "[ . 1 . 2]" 1
787 1 94 TYR HA 1 94 TYR QB . . 2.700 2.251 2.223 2.276 . 0 0 "[ . 1 . 2]" 1
788 1 94 TYR H 1 95 GLU H . . 2.700 2.810 2.782 2.832 0.132 1 0 "[ . 1 . 2]" 1
789 1 94 TYR HA 1 97 LEU MD2 . . 2.700 2.781 2.732 2.841 0.141 11 0 "[ . 1 . 2]" 1
790 1 94 TYR HA 1 97 LEU QB . . 3.500 2.934 2.850 3.027 . 0 0 "[ . 1 . 2]" 1
791 1 94 TYR HA 1 97 LEU MD1 . . 5.500 5.192 5.155 5.240 . 0 0 "[ . 1 . 2]" 1
792 1 94 TYR QB 1 95 GLU H . . 3.500 2.633 2.561 2.732 . 0 0 "[ . 1 . 2]" 1
793 1 94 TYR HA 1 94 TYR QD . . 2.700 2.848 2.774 2.899 0.199 16 0 "[ . 1 . 2]" 1
794 1 94 TYR HA 1 94 TYR QE . . 5.500 4.791 4.742 4.846 . 0 0 "[ . 1 . 2]" 1
795 1 94 TYR QB 1 94 TYR QD . . 2.700 2.158 2.149 2.162 . 0 0 "[ . 1 . 2]" 1
796 1 94 TYR QD 1 95 GLU HA . . 3.500 3.332 3.147 3.536 0.036 3 0 "[ . 1 . 2]" 1
797 1 94 TYR QE 1 95 GLU HA . . 3.500 3.594 3.576 3.636 0.136 18 0 "[ . 1 . 2]" 1
798 1 94 TYR QD 1 95 GLU H . . 5.500 2.797 2.737 2.865 . 0 0 "[ . 1 . 2]" 1
799 1 95 GLU H 1 95 GLU QB . . 2.700 2.380 2.011 2.540 . 0 0 "[ . 1 . 2]" 1
800 1 95 GLU H 1 95 GLU HA . . 2.700 2.833 2.794 2.843 0.143 17 0 "[ . 1 . 2]" 1
801 1 95 GLU H 1 95 GLU QG . . 3.500 2.451 2.218 3.610 0.110 15 0 "[ . 1 . 2]" 1
802 1 95 GLU HA 1 95 GLU QB . . 2.700 2.419 2.358 2.542 . 0 0 "[ . 1 . 2]" 1
803 1 95 GLU HA 1 95 GLU QG . . 3.500 2.510 2.192 2.931 . 0 0 "[ . 1 . 2]" 1
804 1 95 GLU HA 1 98 ASN QB . . 5.500 2.627 2.260 2.868 . 0 0 "[ . 1 . 2]" 1
805 1 95 GLU H 1 96 ALA H . . 2.700 2.738 2.714 2.773 0.073 16 0 "[ . 1 . 2]" 1
806 1 95 GLU QB 1 96 ALA H . . 2.700 2.807 2.758 2.897 0.197 9 0 "[ . 1 . 2]" 1
807 1 96 ALA H 1 96 ALA HA . . 2.700 2.865 2.856 2.872 0.172 15 0 "[ . 1 . 2]" 1
808 1 96 ALA H 1 96 ALA MB . . 2.700 2.291 2.243 2.336 . 0 0 "[ . 1 . 2]" 1
809 1 96 ALA MB 1 97 LEU H . . 3.500 2.633 2.578 2.701 . 0 0 "[ . 1 . 2]" 1
810 1 96 ALA H 1 97 LEU QD . . 3.500 3.691 3.670 3.714 0.214 2 0 "[ . 1 . 2]" 1
811 1 97 LEU H 1 97 LEU HA . . 2.700 2.839 2.830 2.848 0.148 15 0 "[ . 1 . 2]" 1
812 1 97 LEU H 1 97 LEU QB . . 2.700 2.248 2.210 2.288 . 0 0 "[ . 1 . 2]" 1
813 1 97 LEU H 1 97 LEU QD . . 3.500 2.108 2.072 2.140 . 0 0 "[ . 1 . 2]" 1
814 1 97 LEU HA 1 97 LEU QB . . 2.700 2.444 2.421 2.467 . 0 0 "[ . 1 . 2]" 1
815 1 97 LEU MD1 1 97 LEU MD2 . . 2.700 2.122 2.111 2.139 . 0 0 "[ . 1 . 2]" 1
816 1 97 LEU H 1 98 ASN H . . 2.700 2.738 2.710 2.770 0.070 7 0 "[ . 1 . 2]" 1
817 1 97 LEU QB 1 98 ASN H . . 3.500 2.551 2.422 2.632 . 0 0 "[ . 1 . 2]" 1
818 1 98 ASN H 1 98 ASN HA . . 2.700 2.822 2.806 2.844 0.144 18 0 "[ . 1 . 2]" 1
819 1 98 ASN H 1 98 ASN QB . . 2.700 2.215 2.153 2.284 . 0 0 "[ . 1 . 2]" 1
820 1 98 ASN HA 1 98 ASN QB . . 2.700 2.457 2.420 2.503 . 0 0 "[ . 1 . 2]" 1
821 1 98 ASN H 1 99 GLY H . . 2.700 2.741 2.724 2.758 0.058 2 0 "[ . 1 . 2]" 1
822 1 98 ASN HA 1 101 LEU QB . . 3.500 2.596 2.424 2.816 . 0 0 "[ . 1 . 2]" 1
823 1 98 ASN QB 1 102 VAL MG1 . . 5.500 5.594 5.328 5.640 0.140 17 0 "[ . 1 . 2]" 1
824 1 98 ASN QB 1 99 GLY H . . 2.700 2.557 2.385 2.704 0.004 18 0 "[ . 1 . 2]" 1
825 1 99 GLY H 1 100 VAL H . . 2.700 2.789 2.766 2.812 0.112 5 0 "[ . 1 . 2]" 1
826 1 99 GLY H 1 99 GLY QA . . 2.700 2.211 2.198 2.224 . 0 0 "[ . 1 . 2]" 1
827 1 99 GLY HA2 1 102 VAL HB . . 3.500 2.577 2.528 2.614 . 0 0 "[ . 1 . 2]" 1
828 1 99 GLY HA2 1 102 VAL MG1 . . 3.500 3.508 3.442 3.560 0.060 18 0 "[ . 1 . 2]" 1
829 1 99 GLY HA2 1 102 VAL MG2 . . 3.500 3.542 3.515 3.568 0.068 11 0 "[ . 1 . 2]" 1
830 1 100 VAL H 1 100 VAL HA . . 2.700 2.835 2.818 2.852 0.152 5 0 "[ . 1 . 2]" 1
831 1 100 VAL H 1 100 VAL HB . . 3.500 3.664 3.637 3.677 0.177 11 0 "[ . 1 . 2]" 1
832 1 100 VAL H 1 100 VAL MG1 . . 3.500 2.369 2.303 2.431 . 0 0 "[ . 1 . 2]" 1
833 1 100 VAL H 1 100 VAL MG2 . . 3.500 2.721 2.615 2.851 . 0 0 "[ . 1 . 2]" 1
834 1 100 VAL HA 1 100 VAL MG1 . . 3.500 2.428 2.395 2.482 . 0 0 "[ . 1 . 2]" 1
835 1 100 VAL HA 1 100 VAL MG2 . . 3.500 3.218 3.204 3.233 . 0 0 "[ . 1 . 2]" 1
836 1 100 VAL MG1 1 104 SER QB . . 5.500 4.696 4.538 4.935 . 0 0 "[ . 1 . 2]" 1
837 1 100 VAL MG2 1 104 SER QB . . 3.500 3.634 3.572 3.675 0.175 13 0 "[ . 1 . 2]" 1
838 1 101 LEU H 1 102 VAL H . . 2.700 2.751 2.733 2.766 0.066 7 0 "[ . 1 . 2]" 1
839 1 101 LEU H 1 101 LEU QB . . 2.700 2.178 2.117 2.236 . 0 0 "[ . 1 . 2]" 1
840 1 101 LEU H 1 101 LEU HA . . 2.700 2.811 2.802 2.824 0.124 4 0 "[ . 1 . 2]" 1
841 1 101 LEU HA 1 101 LEU QB . . 2.700 2.320 2.266 2.425 . 0 0 "[ . 1 . 2]" 1
842 1 101 LEU HA 1 104 SER QB . . 3.500 3.156 2.779 3.620 0.120 17 0 "[ . 1 . 2]" 1
843 1 101 LEU HA 1 101 LEU QD . . 3.500 2.394 2.187 3.014 . 0 0 "[ . 1 . 2]" 1
844 1 101 LEU QB 1 101 LEU QD . . 2.700 1.981 1.909 2.090 . 0 0 "[ . 1 . 2]" 1
845 1 102 VAL H 1 102 VAL HB . . 2.700 2.128 2.096 2.180 . 0 0 "[ . 1 . 2]" 1
846 1 102 VAL H 1 102 VAL HA . . 2.700 2.813 2.807 2.820 0.120 18 0 "[ . 1 . 2]" 1
847 1 102 VAL HA 1 102 VAL HB . . 2.700 2.954 2.945 2.966 0.266 11 0 "[ . 1 . 2]" 1
848 1 102 VAL HA 1 102 VAL MG1 . . 3.500 2.720 2.682 2.764 . 0 0 "[ . 1 . 2]" 1
849 1 102 VAL HA 1 102 VAL MG2 . . 3.500 2.295 2.248 2.365 . 0 0 "[ . 1 . 2]" 1
850 1 102 VAL MG1 1 102 VAL MG2 . . 2.700 2.042 2.037 2.064 . 0 0 "[ . 1 . 2]" 1
851 1 102 VAL H 1 103 GLY H . . 2.700 2.778 2.762 2.795 0.095 2 0 "[ . 1 . 2]" 1
852 1 102 VAL HB 1 103 GLY H . . 2.700 2.648 2.539 2.716 0.016 1 0 "[ . 1 . 2]" 1
853 1 102 VAL H 1 102 VAL QG . . 3.500 2.333 2.239 2.433 . 0 0 "[ . 1 . 2]" 1
854 1 102 VAL HA 1 105 MET QB . . 2.700 2.766 2.733 2.800 0.100 19 0 "[ . 1 . 2]" 1
855 1 102 VAL QG 1 103 GLY H . . 3.500 2.989 2.936 3.033 . 0 0 "[ . 1 . 2]" 1
856 1 103 GLY H 1 104 SER H . . 2.700 2.716 2.703 2.736 0.036 13 0 "[ . 1 . 2]" 1
857 1 103 GLY H 1 103 GLY QA . . 2.700 2.225 2.207 2.239 . 0 0 "[ . 1 . 2]" 1
858 1 103 GLY QA 1 106 ASN QB . . 3.500 2.573 2.374 3.048 . 0 0 "[ . 1 . 2]" 1
859 1 104 SER HA 1 104 SER QB . . 2.700 2.375 2.176 2.438 . 0 0 "[ . 1 . 2]" 1
860 1 104 SER HA 1 107 ALA MB . . 2.700 2.587 2.465 2.705 0.005 1 0 "[ . 1 . 2]" 1
861 1 104 SER H 1 104 SER HA . . 2.700 2.824 2.798 2.843 0.143 3 0 "[ . 1 . 2]" 1
862 1 104 SER H 1 104 SER QB . . 2.700 2.276 2.225 2.391 . 0 0 "[ . 1 . 2]" 1
863 1 105 MET HA 1 105 MET QB . . 2.700 2.372 2.323 2.462 . 0 0 "[ . 1 . 2]" 1
864 1 105 MET HA 1 108 GLN QB . . 3.500 2.570 2.207 2.790 . 0 0 "[ . 1 . 2]" 1
865 1 105 MET HA 1 105 MET ME . . 3.500 3.205 2.582 3.569 0.069 12 0 "[ . 1 . 2]" 1
866 1 101 LEU QD 1 105 MET QB . . 3.500 2.981 2.507 3.527 0.027 6 0 "[ . 1 . 2]" 1
867 1 106 ASN H 1 106 ASN QB . . 2.700 2.227 2.173 2.366 . 0 0 "[ . 1 . 2]" 1
868 1 106 ASN H 1 106 ASN HA . . 2.700 2.822 2.810 2.849 0.149 12 0 "[ . 1 . 2]" 1
869 1 106 ASN HA 1 106 ASN QB . . 2.700 2.389 2.330 2.471 . 0 0 "[ . 1 . 2]" 1
870 1 106 ASN H 1 107 ALA H . . 2.700 2.771 2.745 2.798 0.098 3 0 "[ . 1 . 2]" 1
871 1 106 ASN QB 1 107 ALA H . . 3.500 2.705 2.559 2.863 . 0 0 "[ . 1 . 2]" 1
872 1 106 ASN HA 1 109 SER QB . . 3.500 2.998 2.358 3.546 0.046 17 0 "[ . 1 . 2]" 1
873 1 107 ALA H 1 107 ALA MB . . 2.700 2.210 2.196 2.228 . 0 0 "[ . 1 . 2]" 1
874 1 107 ALA H 1 107 ALA HA . . 2.700 2.834 2.818 2.858 0.158 3 0 "[ . 1 . 2]" 1
875 1 107 ALA H 1 108 GLN H . . 2.700 2.736 2.707 2.761 0.061 7 0 "[ . 1 . 2]" 1
876 1 107 ALA MB 1 108 GLN H . . 3.500 2.606 2.479 2.745 . 0 0 "[ . 1 . 2]" 1
877 1 107 ALA MB 1 109 SER H . . 5.500 4.665 4.424 4.903 . 0 0 "[ . 1 . 2]" 1
878 1 108 GLN H 1 108 GLN QB . . 2.700 2.242 2.131 2.380 . 0 0 "[ . 1 . 2]" 1
879 1 108 GLN H 1 108 GLN HA . . 2.700 2.842 2.798 2.872 0.172 18 0 "[ . 1 . 2]" 1
880 1 108 GLN HA 1 108 GLN QB . . 2.700 2.404 2.338 2.446 . 0 0 "[ . 1 . 2]" 1
881 1 108 GLN HA 1 108 GLN QG . . 3.500 2.587 2.282 3.076 . 0 0 "[ . 1 . 2]" 1
882 1 108 GLN H 1 109 SER H . . 2.700 2.718 2.655 2.752 0.052 2 0 "[ . 1 . 2]" 1
883 1 108 GLN QB 1 109 SER H . . 2.700 2.650 2.434 2.782 0.082 3 0 "[ . 1 . 2]" 1
884 1 109 SER H 1 109 SER QB . . 3.500 2.393 2.158 2.546 . 0 0 "[ . 1 . 2]" 1
885 1 109 SER H 1 109 SER HA . . 2.700 2.787 2.588 2.842 0.142 11 0 "[ . 1 . 2]" 1
886 1 109 SER QB 1 110 GLN H . . 3.500 3.144 2.426 3.537 0.037 14 0 "[ . 1 . 2]" 1
887 1 110 GLN H 1 110 GLN QB . . 3.500 2.894 2.309 3.401 . 0 0 "[ . 1 . 2]" 1
888 1 110 GLN H 1 110 GLN HA . . 2.700 2.434 2.179 2.933 0.233 11 0 "[ . 1 . 2]" 1
889 1 110 GLN HA 1 110 GLN QB . . 2.700 2.364 2.135 2.581 . 0 0 "[ . 1 . 2]" 1
890 1 110 GLN HA 1 110 GLN QG . . 3.500 2.705 2.185 3.412 . 0 0 "[ . 1 . 2]" 1
891 1 111 MET H 1 111 MET QB . . 2.700 2.468 2.016 2.727 0.027 2 0 "[ . 1 . 2]" 1
892 1 111 MET H 1 111 MET HA . . 2.700 2.782 2.198 2.944 0.244 7 0 "[ . 1 . 2]" 1
893 1 111 MET H 1 111 MET QG . . 3.500 2.640 1.974 3.779 0.279 14 0 "[ . 1 . 2]" 1
894 1 111 MET HA 1 114 TRP QB . . 3.500 2.495 2.079 3.469 . 0 0 "[ . 1 . 2]" 1
895 1 111 MET HA 1 111 MET QB . . 2.700 2.382 2.151 2.489 . 0 0 "[ . 1 . 2]" 1
896 1 111 MET HA 1 111 MET QG . . 3.500 2.550 2.162 3.374 . 0 0 "[ . 1 . 2]" 1
897 1 111 MET HA 1 114 TRP HD1 . . 5.500 4.386 3.218 5.554 0.054 15 0 "[ . 1 . 2]" 1
898 1 111 MET QB 1 112 THR H . . 3.500 3.206 2.409 3.630 0.130 13 0 "[ . 1 . 2]" 1
899 1 111 MET QG 1 112 THR H . . 5.500 4.300 2.378 4.817 . 0 0 "[ . 1 . 2]" 1
900 1 112 THR HA 1 112 THR HB . . 2.700 2.598 2.524 2.633 . 0 0 "[ . 1 . 2]" 1
901 1 112 THR HA 1 112 THR MG . . 2.700 2.276 2.254 2.310 . 0 0 "[ . 1 . 2]" 1
902 1 112 THR H 1 113 SER H . . 2.700 2.762 2.709 2.822 0.122 2 0 "[ . 1 . 2]" 1
903 1 112 THR MG 1 115 MET ME . . 5.500 5.097 3.392 5.524 0.024 12 0 "[ . 1 . 2]" 1
904 1 112 THR H 1 112 THR MG . . 2.700 2.350 2.272 2.733 0.033 19 0 "[ . 1 . 2]" 1
905 1 112 THR H 1 112 THR HA . . 2.700 2.821 2.783 2.927 0.227 19 0 "[ . 1 . 2]" 1
906 1 112 THR H 1 112 THR HB . . 3.500 3.505 3.462 3.597 0.097 19 0 "[ . 1 . 2]" 1
907 1 112 THR MG 1 113 SER H . . 3.500 3.659 3.609 3.709 0.209 6 0 "[ . 1 . 2]" 1
908 1 112 THR HB 1 113 SER H . . 2.700 2.798 2.665 2.856 0.156 1 0 "[ . 1 . 2]" 1
909 1 113 SER H 1 113 SER QB . . 3.500 2.489 2.214 2.768 . 0 0 "[ . 1 . 2]" 1
910 1 113 SER H 1 113 SER HA . . 2.700 2.814 2.775 2.943 0.243 20 0 "[ . 1 . 2]" 1
911 1 113 SER HA 1 113 SER QB . . 2.700 2.376 2.356 2.397 . 0 0 "[ . 1 . 2]" 1
912 1 113 SER H 1 114 TRP H . . 2.700 2.754 1.827 2.871 0.171 10 0 "[ . 1 . 2]" 1
913 1 113 SER QB 1 114 TRP H . . 2.700 2.712 2.541 2.780 0.080 7 0 "[ . 1 . 2]" 1
914 1 114 TRP H 1 114 TRP QB . . 2.700 2.183 2.037 2.764 0.064 20 0 "[ . 1 . 2]" 1
915 1 114 TRP H 1 114 TRP HA . . 2.700 2.822 2.290 2.899 0.199 6 0 "[ . 1 . 2]" 1
916 1 114 TRP HA 1 114 TRP QB . . 2.700 2.496 2.406 2.543 . 0 0 "[ . 1 . 2]" 1
917 1 114 TRP H 1 115 MET H . . 2.700 2.751 2.646 2.816 0.116 9 0 "[ . 1 . 2]" 1
918 1 114 TRP QB 1 114 TRP HD1 . . 2.700 2.605 2.501 2.711 0.011 3 0 "[ . 1 . 2]" 1
919 1 114 TRP QB 1 114 TRP HE3 . . 3.500 2.581 2.463 2.778 . 0 0 "[ . 1 . 2]" 1
920 1 114 TRP QB 1 114 TRP HZ3 . . 5.500 4.876 4.789 5.009 . 0 0 "[ . 1 . 2]" 1
921 1 114 TRP QB 1 114 TRP HZ2 . . 5.500 5.630 5.608 5.648 0.148 1 0 "[ . 1 . 2]" 1
922 1 114 TRP HA 1 114 TRP HD1 . . 3.500 3.542 3.390 3.671 0.171 20 0 "[ . 1 . 2]" 1
923 1 114 TRP HA 1 114 TRP HE3 . . 3.500 3.445 2.953 3.580 0.080 11 0 "[ . 1 . 2]" 1
924 1 114 TRP HA 1 114 TRP HZ3 . . 5.500 5.298 4.928 5.467 . 0 0 "[ . 1 . 2]" 1
925 1 114 TRP QB 1 115 MET H . . 3.500 3.154 2.422 3.712 0.212 20 0 "[ . 1 . 2]" 1
926 1 115 MET H 1 115 MET HA . . 2.700 2.761 2.290 2.848 0.148 15 0 "[ . 1 . 2]" 1
927 1 115 MET H 1 115 MET QB . . 2.700 2.432 2.007 2.885 0.185 20 0 "[ . 1 . 2]" 1
928 1 115 MET H 1 115 MET QG . . 3.500 2.545 2.053 3.791 0.291 19 0 "[ . 1 . 2]" 1
929 1 115 MET HA 1 115 MET QB . . 2.700 2.397 2.327 2.511 . 0 0 "[ . 1 . 2]" 1
930 1 115 MET HA 1 115 MET QG . . 3.500 2.699 2.064 3.052 . 0 0 "[ . 1 . 2]" 1
931 1 115 MET H 1 116 GLN H . . 3.500 2.920 2.784 3.311 . 0 0 "[ . 1 . 2]" 1
932 1 115 MET HA 1 118 ILE HB . . 3.500 3.320 2.724 3.579 0.079 12 0 "[ . 1 . 2]" 1
933 1 115 MET HA 1 118 ILE MD . . 5.500 4.694 3.539 5.302 . 0 0 "[ . 1 . 2]" 1
934 1 115 MET HA 1 118 ILE MG . . 5.500 2.274 2.016 2.742 . 0 0 "[ . 1 . 2]" 1
935 1 115 MET HA 1 115 MET ME . . 3.500 2.951 2.165 3.578 0.078 3 0 "[ . 1 . 2]" 1
936 1 115 MET QB 1 115 MET ME . . 3.500 2.893 2.123 3.644 0.144 2 0 "[ . 1 . 2]" 1
937 1 115 MET ME 1 115 MET QG . . 2.700 2.267 2.084 2.391 . 0 0 "[ . 1 . 2]" 1
938 1 115 MET ME 1 118 ILE MG . . 5.500 3.385 2.255 4.726 . 0 0 "[ . 1 . 2]" 1
939 1 116 GLN H 1 116 GLN QB . . 2.700 2.469 2.271 2.728 0.028 20 0 "[ . 1 . 2]" 1
940 1 116 GLN H 1 116 GLN HA . . 2.700 2.871 2.731 2.951 0.251 3 0 "[ . 1 . 2]" 1
941 1 116 GLN H 1 116 GLN QG . . 3.500 2.421 1.984 3.145 . 0 0 "[ . 1 . 2]" 1
942 1 116 GLN HA 1 116 GLN QB . . 2.700 2.349 2.147 2.439 . 0 0 "[ . 1 . 2]" 1
943 1 116 GLN HA 1 116 GLN QG . . 3.500 2.678 2.356 3.403 . 0 0 "[ . 1 . 2]" 1
944 1 116 GLN H 1 117 GLU H . . 3.500 2.608 1.961 3.104 . 0 0 "[ . 1 . 2]" 1
945 1 116 GLN QB 1 117 GLU H . . 3.500 3.456 3.085 3.685 0.185 15 0 "[ . 1 . 2]" 1
946 1 116 GLN HA 1 118 ILE MG . . 5.500 4.308 2.768 5.096 . 0 0 "[ . 1 . 2]" 1
947 1 116 GLN HA 1 119 ILE MG . . 5.500 4.445 3.674 4.770 . 0 0 "[ . 1 . 2]" 1
948 1 116 GLN HA 1 119 ILE HB . . 3.500 3.509 2.864 3.616 0.116 8 0 "[ . 1 . 2]" 1
949 1 117 GLU H 1 117 GLU QB . . 2.700 2.455 2.203 2.665 . 0 0 "[ . 1 . 2]" 1
950 1 117 GLU H 1 117 GLU HA . . 2.700 2.919 2.848 2.950 0.250 15 0 "[ . 1 . 2]" 1
951 1 117 GLU QB 1 118 ILE H . . 2.700 2.596 2.356 2.744 0.044 8 0 "[ . 1 . 2]" 1
952 1 117 GLU H 1 118 ILE H . . 3.500 2.250 1.903 2.660 . 0 0 "[ . 1 . 2]" 1
953 1 117 GLU H 1 118 ILE MG . . 3.500 3.566 3.506 3.626 0.126 15 0 "[ . 1 . 2]" 1
954 1 117 GLU HA 1 117 GLU QB . . 2.700 2.399 2.370 2.442 . 0 0 "[ . 1 . 2]" 1
955 1 117 GLU HA 1 117 GLU QG . . 3.500 2.704 2.290 3.043 . 0 0 "[ . 1 . 2]" 1
956 1 118 ILE H 1 118 ILE HB . . 2.700 1.882 1.814 1.930 . 0 0 "[ . 1 . 2]" 1
957 1 118 ILE H 1 118 ILE HA . . 2.700 2.728 2.657 2.767 0.067 19 0 "[ . 1 . 2]" 1
958 1 118 ILE H 1 118 ILE QG . . 3.500 3.749 3.529 3.831 0.331 1 0 "[ . 1 . 2]" 1
959 1 118 ILE H 1 118 ILE MD . . 3.500 3.499 3.138 3.690 0.190 20 0 "[ . 1 . 2]" 1
960 1 118 ILE MD 1 119 ILE H . . 5.500 4.808 4.633 4.996 . 0 0 "[ . 1 . 2]" 1
961 1 118 ILE HA 1 118 ILE HB . . 2.700 2.652 2.540 2.759 0.059 2 0 "[ . 1 . 2]" 1
962 1 118 ILE HA 1 118 ILE QG . . 3.500 2.526 2.087 2.860 . 0 0 "[ . 1 . 2]" 1
963 1 118 ILE HA 1 118 ILE MG . . 3.500 3.244 3.168 3.294 . 0 0 "[ . 1 . 2]" 1
964 1 118 ILE HB 1 118 ILE QG . . 2.700 2.346 2.273 2.428 . 0 0 "[ . 1 . 2]" 1
965 1 118 ILE HB 1 118 ILE MD . . 3.500 2.293 2.125 2.424 . 0 0 "[ . 1 . 2]" 1
966 1 118 ILE QG 1 118 ILE MG . . 2.700 2.159 2.071 2.368 . 0 0 "[ . 1 . 2]" 1
967 1 118 ILE MD 1 118 ILE MG . . 3.500 2.994 2.141 3.296 . 0 0 "[ . 1 . 2]" 1
968 1 118 ILE HB 1 119 ILE H . . 3.500 3.637 3.532 3.714 0.214 4 0 "[ . 1 . 2]" 1
969 1 119 ILE H 1 119 ILE HB . . 2.700 2.369 2.142 2.701 0.001 12 0 "[ . 1 . 2]" 1
970 1 119 ILE H 1 119 ILE HA . . 2.700 2.808 2.750 2.911 0.211 19 0 "[ . 1 . 2]" 1
971 1 119 ILE H 1 119 ILE QG . . 2.700 2.269 1.977 2.588 . 0 0 "[ . 1 . 2]" 1
972 1 119 ILE H 1 119 ILE MD . . 3.500 3.441 3.080 3.579 0.079 2 0 "[ . 1 . 2]" 1
973 1 119 ILE HA 1 119 ILE HB . . 2.700 2.954 2.917 2.970 0.270 3 0 "[ . 1 . 2]" 1
974 1 119 ILE HA 1 119 ILE QG . . 3.500 2.545 2.163 3.168 . 0 0 "[ . 1 . 2]" 1
975 1 119 ILE HA 1 119 ILE MG . . 3.500 2.546 2.282 2.809 . 0 0 "[ . 1 . 2]" 1
976 1 119 ILE HB 1 119 ILE QG . . 2.700 2.308 2.145 2.442 . 0 0 "[ . 1 . 2]" 1
977 1 119 ILE HB 1 119 ILE MD . . 3.500 2.762 2.375 3.303 . 0 0 "[ . 1 . 2]" 1
978 1 119 ILE QG 1 119 ILE MG . . 2.700 2.313 2.229 2.406 . 0 0 "[ . 1 . 2]" 1
979 1 119 ILE MD 1 119 ILE MG . . 3.500 2.127 2.073 2.208 . 0 0 "[ . 1 . 2]" 1
980 1 120 LEU H 1 120 LEU QB . . 2.700 2.436 2.079 2.761 0.061 10 0 "[ . 1 . 2]" 1
981 1 120 LEU H 1 120 LEU HA . . 2.700 2.801 2.177 2.941 0.241 19 0 "[ . 1 . 2]" 1
982 1 120 LEU QB 1 121 SER H . . 3.500 2.936 2.468 3.680 0.180 8 0 "[ . 1 . 2]" 1
983 1 121 SER H 1 121 SER QB . . 2.700 2.582 2.195 2.825 0.125 2 0 "[ . 1 . 2]" 1
984 1 121 SER H 1 121 SER HA . . 2.700 2.785 2.293 2.920 0.220 2 0 "[ . 1 . 2]" 1
985 1 121 SER QB 1 122 GLY H . . 2.700 2.592 2.219 2.769 0.069 7 0 "[ . 1 . 2]" 1
986 1 122 GLY H 1 122 GLY QA . . 2.700 2.472 2.202 2.542 . 0 0 "[ . 1 . 2]" 1
987 1 123 GLY H 1 123 GLY QA . . 2.700 2.419 2.200 2.533 . 0 0 "[ . 1 . 2]" 1
988 1 124 GLU H 1 124 GLU QB . . 2.700 2.488 2.145 2.785 0.085 19 0 "[ . 1 . 2]" 1
989 1 124 GLU H 1 124 GLU HA . . 2.700 2.834 2.231 2.942 0.242 18 0 "[ . 1 . 2]" 1
990 1 124 GLU H 1 125 ASN H . . 2.700 2.585 1.916 2.776 0.076 19 0 "[ . 1 . 2]" 1
991 1 125 ASN HA 1 125 ASN QB . . 2.700 2.335 2.177 2.457 . 0 0 "[ . 1 . 2]" 1
992 1 125 ASN H 1 125 ASN HA . . 2.700 2.758 2.226 2.925 0.225 3 0 "[ . 1 . 2]" 1
993 1 125 ASN H 1 125 ASN QB . . 2.700 2.397 2.157 2.764 0.064 16 0 "[ . 1 . 2]" 1
994 1 126 LYS H 1 126 LYS QB . . 2.700 2.460 2.326 2.864 0.164 16 0 "[ . 1 . 2]" 1
995 1 126 LYS H 1 126 LYS HA . . 2.700 2.824 2.745 2.930 0.230 18 0 "[ . 1 . 2]" 1
996 1 126 LYS HA 1 126 LYS QB . . 2.700 2.283 2.137 2.462 . 0 0 "[ . 1 . 2]" 1
997 1 126 LYS HA 1 126 LYS QG . . 3.500 2.968 2.309 3.526 0.026 13 0 "[ . 1 . 2]" 1
998 1 126 LYS QB 1 126 LYS QD . . 3.500 2.305 2.143 2.771 . 0 0 "[ . 1 . 2]" 1
999 1 126 LYS QE 1 126 LYS QG . . 3.500 2.265 2.089 2.740 . 0 0 "[ . 1 . 2]" 1
1000 1 126 LYS H 1 126 LYS QG . . 2.700 2.222 1.992 2.497 . 0 0 "[ . 1 . 2]" 1
1001 1 127 GLU H 1 127 GLU QB . . 2.700 2.510 2.131 2.799 0.099 17 0 "[ . 1 . 2]" 1
1002 1 127 GLU H 1 127 GLU HA . . 2.700 2.814 2.206 2.938 0.238 16 0 "[ . 1 . 2]" 1
1003 1 127 GLU HA 1 127 GLU QB . . 2.700 2.275 2.112 2.422 . 0 0 "[ . 1 . 2]" 1
1004 1 127 GLU QB 1 128 ALA H . . 2.700 2.442 2.015 2.738 0.038 1 0 "[ . 1 . 2]" 1
1005 1 128 ALA H 1 128 ALA MB . . 2.700 2.457 2.142 2.764 0.064 16 0 "[ . 1 . 2]" 1
1006 1 128 ALA H 1 128 ALA HA . . 2.700 2.824 2.186 2.928 0.228 13 0 "[ . 1 . 2]" 1
1007 1 129 ILE H 1 129 ILE HB . . 2.700 2.153 1.982 2.610 . 0 0 "[ . 1 . 2]" 1
1008 1 129 ILE H 1 129 ILE HA . . 2.700 2.727 2.222 2.885 0.185 3 0 "[ . 1 . 2]" 1
1009 1 129 ILE HA 1 129 ILE HB . . 2.700 2.622 2.440 2.981 0.281 5 0 "[ . 1 . 2]" 1
1010 1 129 ILE HA 1 129 ILE QG . . 3.500 2.268 2.095 3.033 . 0 0 "[ . 1 . 2]" 1
1011 1 129 ILE HA 1 129 ILE MG . . 3.500 3.147 2.366 3.318 . 0 0 "[ . 1 . 2]" 1
1012 1 129 ILE HB 1 129 ILE QG . . 2.700 2.285 2.184 2.421 . 0 0 "[ . 1 . 2]" 1
1013 1 129 ILE HB 1 129 ILE MD . . 3.500 2.416 2.338 2.533 . 0 0 "[ . 1 . 2]" 1
1014 1 129 ILE QG 1 129 ILE MG . . 2.700 2.390 2.056 2.492 . 0 0 "[ . 1 . 2]" 1
1015 1 129 ILE MD 1 129 ILE MG . . 3.500 2.252 2.075 3.294 . 0 0 "[ . 1 . 2]" 1
1016 1 129 ILE H 1 129 ILE QG . . 3.500 3.445 1.794 3.835 0.335 3 0 "[ . 1 . 2]" 1
1017 1 129 ILE H 1 129 ILE MG . . 3.500 2.710 2.139 3.668 0.168 17 0 "[ . 1 . 2]" 1
1018 1 129 ILE H 1 129 ILE MD . . 5.500 4.040 3.428 4.483 . 0 0 "[ . 1 . 2]" 1
1019 1 129 ILE HB 1 130 ASP H . . 3.500 3.515 1.908 3.743 0.243 20 0 "[ . 1 . 2]" 1
1020 1 129 ILE MG 1 130 ASP H . . 2.700 2.459 1.790 2.802 0.102 17 0 "[ . 1 . 2]" 1
1021 1 129 ILE QG 1 130 ASP H . . 3.500 2.384 1.685 3.668 0.168 5 0 "[ . 1 . 2]" 1
1022 1 130 ASP H 1 130 ASP QB . . 2.700 2.660 2.137 2.765 0.065 13 0 "[ . 1 . 2]" 1
1023 1 130 ASP H 1 130 ASP HA . . 2.700 2.697 2.249 2.910 0.210 9 0 "[ . 1 . 2]" 1
1024 1 130 ASP HA 1 130 ASP QB . . 2.700 2.382 2.150 2.443 . 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 70
_Distance_constraint_stats_list.Viol_count 1332
_Distance_constraint_stats_list.Viol_total 5211.202
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.1016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1861
_Distance_constraint_stats_list.Viol_average_violations_only 0.1956
_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 27 VAL 6.628 0.285 1 0 "[ . 1 . 2]"
1 28 ASP 12.187 0.358 10 0 "[ . 1 . 2]"
1 29 LEU 5.085 0.307 14 0 "[ . 1 . 2]"
1 30 TYR 0.880 0.068 1 0 "[ . 1 . 2]"
1 31 ASP 15.334 0.285 1 0 "[ . 1 . 2]"
1 32 ALA 23.871 0.386 14 0 "[ . 1 . 2]"
1 33 PHE 17.571 0.381 8 0 "[ . 1 . 2]"
1 34 TYR 0.880 0.068 1 0 "[ . 1 . 2]"
1 35 GLN 8.706 0.273 5 0 "[ . 1 . 2]"
1 36 ARG 11.684 0.386 14 0 "[ . 1 . 2]"
1 37 LEU 12.486 0.381 8 0 "[ . 1 . 2]"
1 47 GLU 9.807 0.442 19 0 "[ . 1 . 2]"
1 48 THR 7.970 0.313 11 0 "[ . 1 . 2]"
1 49 LEU 3.516 0.301 3 0 "[ . 1 . 2]"
1 50 LYS 6.626 0.310 19 0 "[ . 1 . 2]"
1 51 ASP 15.825 0.442 19 0 "[ . 1 . 2]"
1 52 SER 16.656 0.380 2 0 "[ . 1 . 2]"
1 53 ILE 9.060 0.301 3 0 "[ . 1 . 2]"
1 54 TYR 17.886 0.352 9 0 "[ . 1 . 2]"
1 55 GLN 6.018 0.281 19 0 "[ . 1 . 2]"
1 56 GLU 8.686 0.380 2 0 "[ . 1 . 2]"
1 57 MET 5.544 0.272 4 0 "[ . 1 . 2]"
1 58 ASN 11.260 0.352 9 0 "[ . 1 . 2]"
1 74 GLU 10.672 0.378 1 0 "[ . 1 . 2]"
1 75 GLN 1.051 0.138 11 0 "[ . 1 . 2]"
1 76 GLN 5.468 0.306 12 0 "[ . 1 . 2]"
1 77 THR 5.805 0.327 14 0 "[ . 1 . 2]"
1 78 ALA 12.721 0.378 1 0 "[ . 1 . 2]"
1 79 MET 3.603 0.307 3 0 "[ . 1 . 2]"
1 80 LEU 13.886 0.354 18 0 "[ . 1 . 2]"
1 81 GLN 15.639 0.327 14 0 "[ . 1 . 2]"
1 82 ASN 14.716 0.424 14 0 "[ . 1 . 2]"
1 83 MET 2.552 0.307 3 0 "[ . 1 . 2]"
1 84 LEU 8.418 0.354 18 0 "[ . 1 . 2]"
1 85 ALA 9.835 0.312 3 0 "[ . 1 . 2]"
1 86 LYS 12.667 0.424 14 0 "[ . 1 . 2]"
1 92 HIS 9.503 0.361 11 0 "[ . 1 . 2]"
1 93 LEU 11.138 0.338 4 0 "[ . 1 . 2]"
1 94 TYR 10.001 0.353 20 0 "[ . 1 . 2]"
1 96 ALA 13.310 0.361 11 0 "[ . 1 . 2]"
1 97 LEU 18.731 0.338 4 0 "[ . 1 . 2]"
1 98 ASN 18.373 0.353 20 0 "[ . 1 . 2]"
1 100 VAL 6.516 0.215 11 0 "[ . 1 . 2]"
1 101 LEU 14.161 0.299 5 0 "[ . 1 . 2]"
1 102 VAL 18.368 0.328 12 0 "[ . 1 . 2]"
1 104 SER 11.783 0.331 18 0 "[ . 1 . 2]"
1 105 MET 12.768 0.280 11 0 "[ . 1 . 2]"
1 106 ASN 9.995 0.328 12 0 "[ . 1 . 2]"
1 108 GLN 9.074 0.331 18 0 "[ . 1 . 2]"
1 109 SER 6.200 0.263 2 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 27 VAL O 1 31 ASP H . . 1.800 1.935 1.860 2.049 0.249 18 0 "[ . 1 . 2]" 2
2 1 27 VAL O 1 31 ASP N . . 2.700 2.897 2.829 2.985 0.285 1 0 "[ . 1 . 2]" 2
3 1 28 ASP O 1 32 ALA H . . 1.800 2.076 2.048 2.100 0.300 10 0 "[ . 1 . 2]" 2
4 1 28 ASP O 1 32 ALA N . . 2.700 3.033 3.006 3.058 0.358 10 0 "[ . 1 . 2]" 2
5 1 29 LEU O 1 33 PHE H . . 1.800 1.879 1.839 2.022 0.222 14 0 "[ . 1 . 2]" 2
6 1 29 LEU O 1 33 PHE N . . 2.700 2.876 2.834 3.007 0.307 14 0 "[ . 1 . 2]" 2
7 1 30 TYR O 1 34 TYR H . . 1.800 1.763 1.707 1.810 0.010 19 0 "[ . 1 . 2]" 2
8 1 30 TYR O 1 34 TYR N . . 2.700 2.743 2.698 2.768 0.068 1 0 "[ . 1 . 2]" 2
9 1 31 ASP O 1 35 GLN H . . 1.800 2.009 1.911 2.061 0.261 16 0 "[ . 1 . 2]" 2
10 1 31 ASP O 1 35 GLN N . . 2.700 2.926 2.832 2.973 0.273 5 0 "[ . 1 . 2]" 2
11 1 32 ALA O 1 36 ARG H . . 1.800 2.110 2.061 2.169 0.369 14 0 "[ . 1 . 2]" 2
12 1 32 ALA O 1 36 ARG N . . 2.700 2.975 2.890 3.086 0.386 14 0 "[ . 1 . 2]" 2
13 1 33 PHE O 1 37 LEU H . . 1.800 2.142 2.106 2.181 0.381 8 0 "[ . 1 . 2]" 2
14 1 33 PHE O 1 37 LEU N . . 2.700 2.982 2.940 3.021 0.321 3 0 "[ . 1 . 2]" 2
15 1 47 GLU O 1 51 ASP H . . 1.800 1.999 1.855 2.161 0.361 19 0 "[ . 1 . 2]" 2
16 1 47 GLU O 1 51 ASP N . . 2.700 2.991 2.863 3.142 0.442 19 0 "[ . 1 . 2]" 2
17 1 48 THR O 1 52 SER H . . 1.800 1.982 1.883 2.053 0.253 17 0 "[ . 1 . 2]" 2
18 1 48 THR O 1 52 SER N . . 2.700 2.916 2.812 3.013 0.313 11 0 "[ . 1 . 2]" 2
19 1 49 LEU O 1 53 ILE H . . 1.800 1.850 1.743 2.024 0.224 3 0 "[ . 1 . 2]" 2
20 1 49 LEU O 1 53 ILE N . . 2.700 2.820 2.691 3.001 0.301 3 0 "[ . 1 . 2]" 2
21 1 50 LYS O 1 54 TYR H . . 1.800 1.939 1.863 2.042 0.242 19 0 "[ . 1 . 2]" 2
22 1 50 LYS O 1 54 TYR N . . 2.700 2.893 2.813 3.010 0.310 19 0 "[ . 1 . 2]" 2
23 1 51 ASP O 1 55 GLN H . . 1.800 1.922 1.801 2.036 0.236 19 0 "[ . 1 . 2]" 2
24 1 51 ASP O 1 55 GLN N . . 2.700 2.879 2.794 2.981 0.281 19 0 "[ . 1 . 2]" 2
25 1 52 SER O 1 56 GLU H . . 1.800 1.970 1.823 2.071 0.271 2 0 "[ . 1 . 2]" 2
26 1 52 SER O 1 56 GLU N . . 2.700 2.965 2.807 3.080 0.380 2 0 "[ . 1 . 2]" 2
27 1 53 ILE O 1 57 MET H . . 1.800 1.906 1.846 1.999 0.199 4 0 "[ . 1 . 2]" 2
28 1 53 ILE O 1 57 MET N . . 2.700 2.872 2.793 2.972 0.272 4 0 "[ . 1 . 2]" 2
29 1 54 TYR O 1 58 ASN H . . 1.800 2.052 2.012 2.089 0.289 9 0 "[ . 1 . 2]" 2
30 1 54 TYR O 1 58 ASN N . . 2.700 3.011 2.939 3.052 0.352 9 0 "[ . 1 . 2]" 2
31 1 74 GLU O 1 78 ALA H . . 1.800 2.024 1.799 2.105 0.305 3 0 "[ . 1 . 2]" 2
32 1 74 GLU O 1 78 ALA N . . 2.700 3.010 2.770 3.078 0.378 1 0 "[ . 1 . 2]" 2
33 1 75 GLN O 1 79 MET H . . 1.800 1.787 1.719 1.915 0.115 11 0 "[ . 1 . 2]" 2
34 1 75 GLN O 1 79 MET N . . 2.700 2.744 2.699 2.838 0.138 11 0 "[ . 1 . 2]" 2
35 1 76 GLN O 1 80 LEU H . . 1.800 1.898 1.808 2.014 0.214 12 0 "[ . 1 . 2]" 2
36 1 76 GLN O 1 80 LEU N . . 2.700 2.876 2.793 3.006 0.306 12 0 "[ . 1 . 2]" 2
37 1 77 THR O 1 81 GLN H . . 1.800 1.897 1.822 2.028 0.228 6 0 "[ . 1 . 2]" 2
38 1 77 THR O 1 81 GLN N . . 2.700 2.893 2.820 3.027 0.327 14 0 "[ . 1 . 2]" 2
39 1 78 ALA O 1 82 ASN H . . 1.800 1.822 1.778 1.892 0.092 2 0 "[ . 1 . 2]" 2
40 1 78 ALA O 1 82 ASN N . . 2.700 2.776 2.719 2.848 0.148 2 0 "[ . 1 . 2]" 2
41 1 79 MET O 1 83 MET H . . 1.800 1.852 1.731 2.086 0.286 3 0 "[ . 1 . 2]" 2
42 1 79 MET O 1 83 MET N . . 2.700 2.753 2.663 3.007 0.307 3 0 "[ . 1 . 2]" 2
43 1 80 LEU O 1 84 LEU H . . 1.800 1.962 1.861 2.058 0.258 18 0 "[ . 1 . 2]" 2
44 1 80 LEU O 1 84 LEU N . . 2.700 2.959 2.867 3.054 0.354 18 0 "[ . 1 . 2]" 2
45 1 81 GLN O 1 85 ALA H . . 1.800 2.031 2.000 2.061 0.261 2 0 "[ . 1 . 2]" 2
46 1 81 GLN O 1 85 ALA N . . 2.700 2.960 2.914 3.012 0.312 3 0 "[ . 1 . 2]" 2
47 1 82 ASN O 1 86 LYS H . . 1.800 2.157 2.099 2.224 0.424 14 0 "[ . 1 . 2]" 2
48 1 82 ASN O 1 86 LYS N . . 2.700 2.976 2.945 3.017 0.317 18 0 "[ . 1 . 2]" 2
49 1 92 HIS O 1 96 ALA H . . 1.800 2.079 2.030 2.161 0.361 11 0 "[ . 1 . 2]" 2
50 1 92 HIS O 1 96 ALA N . . 2.700 2.897 2.832 2.985 0.285 11 0 "[ . 1 . 2]" 2
51 1 93 LEU O 1 97 LEU H . . 1.800 2.044 2.005 2.074 0.274 4 0 "[ . 1 . 2]" 2
52 1 93 LEU O 1 97 LEU N . . 2.700 3.012 2.982 3.038 0.338 4 0 "[ . 1 . 2]" 2
53 1 94 TYR O 1 98 ASN H . . 1.800 2.006 1.884 2.070 0.270 18 0 "[ . 1 . 2]" 2
54 1 94 TYR O 1 98 ASN N . . 2.700 2.994 2.869 3.053 0.353 20 0 "[ . 1 . 2]" 2
55 1 96 ALA O 1 100 VAL H . . 1.800 1.848 1.790 1.937 0.137 11 0 "[ . 1 . 2]" 2
56 1 96 ALA O 1 100 VAL N . . 2.700 2.841 2.787 2.915 0.215 11 0 "[ . 1 . 2]" 2
57 1 97 LEU O 1 101 LEU H . . 1.800 1.957 1.868 2.027 0.227 5 0 "[ . 1 . 2]" 2
58 1 97 LEU O 1 101 LEU N . . 2.700 2.922 2.828 2.999 0.299 5 0 "[ . 1 . 2]" 2
59 1 98 ASN O 1 102 VAL H . . 1.800 1.964 1.897 2.021 0.221 20 0 "[ . 1 . 2]" 2
60 1 98 ASN O 1 102 VAL N . . 2.700 2.955 2.890 3.016 0.316 20 0 "[ . 1 . 2]" 2
61 1 100 VAL O 1 104 SER H . . 1.800 1.836 1.766 1.889 0.089 13 0 "[ . 1 . 2]" 2
62 1 100 VAL O 1 104 SER N . . 2.700 2.797 2.730 2.843 0.143 13 0 "[ . 1 . 2]" 2
63 1 101 LEU O 1 105 MET H . . 1.800 1.934 1.844 2.023 0.223 5 0 "[ . 1 . 2]" 2
64 1 101 LEU O 1 105 MET N . . 2.700 2.894 2.805 2.980 0.280 11 0 "[ . 1 . 2]" 2
65 1 102 VAL O 1 106 ASN H . . 1.800 2.025 1.973 2.071 0.271 4 0 "[ . 1 . 2]" 2
66 1 102 VAL O 1 106 ASN N . . 2.700 2.975 2.919 3.028 0.328 12 0 "[ . 1 . 2]" 2
67 1 104 SER O 1 108 GLN H . . 1.800 1.999 1.864 2.064 0.264 18 0 "[ . 1 . 2]" 2
68 1 104 SER O 1 108 GLN N . . 2.700 2.955 2.809 3.031 0.331 18 0 "[ . 1 . 2]" 2
69 1 105 MET O 1 109 SER H . . 1.800 1.925 1.812 2.005 0.205 3 0 "[ . 1 . 2]" 2
70 1 105 MET O 1 109 SER N . . 2.700 2.885 2.791 2.963 0.263 2 0 "[ . 1 . 2]" 2
stop_
save_
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