NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399517 |
1u5l   |
6282 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u5l
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 1403
_Distance_constraint_stats_list.Viol_count 3587
_Distance_constraint_stats_list.Viol_total 6436.407
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0897
_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 2 SER 0.150 0.081 19 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 1.473 0.093 8 0 "[ . 1 . 2]"
1 5 GLY 1.449 0.097 4 0 "[ . 1 . 2]"
1 6 GLY 0.496 0.093 8 0 "[ . 1 . 2]"
1 7 LEU 7.024 0.149 20 0 "[ . 1 . 2]"
1 8 GLY 3.620 0.128 6 0 "[ . 1 . 2]"
1 9 GLY 0.932 0.084 2 0 "[ . 1 . 2]"
1 10 TYR 9.630 0.252 19 0 "[ . 1 . 2]"
1 11 ALA 0.227 0.084 11 0 "[ . 1 . 2]"
1 12 LEU 15.062 0.152 14 0 "[ . 1 . 2]"
1 13 GLY 6.776 0.415 7 0 "[ . 1 . 2]"
1 14 SER 8.832 0.534 1 1 "[+ . 1 . 2]"
1 15 ALA 11.587 0.668 5 4 "[ + * * . - 2]"
1 16 MET 9.026 0.534 1 1 "[+ . 1 . 2]"
1 17 SER 9.594 0.844 9 7 "[ . *-+* *. ** 2]"
1 18 GLY 2.255 0.118 11 0 "[ . 1 . 2]"
1 19 MET 11.455 0.513 6 2 "[ .+ - 1 . 2]"
1 20 ARG 6.430 0.148 13 0 "[ . 1 . 2]"
1 21 MET 14.968 0.994 13 5 "[ -. 1 *+ . ** 2]"
1 22 ASN 3.545 0.318 8 0 "[ . 1 . 2]"
1 23 PHE 10.329 0.318 8 0 "[ . 1 . 2]"
1 24 ASP 1.124 0.320 14 0 "[ . 1 . 2]"
1 25 ARG 8.345 0.320 14 0 "[ . 1 . 2]"
1 26 PRO 3.569 0.312 17 0 "[ . 1 . 2]"
1 27 GLU 3.070 0.528 15 1 "[ . 1 + 2]"
1 28 GLU 2.625 0.434 9 0 "[ . 1 . 2]"
1 29 ARG 1.729 0.095 16 0 "[ . 1 . 2]"
1 30 GLN 0.555 0.073 12 0 "[ . 1 . 2]"
1 31 TRP 4.294 0.084 13 0 "[ . 1 . 2]"
1 32 TRP 13.131 0.634 1 1 "[+ . 1 . 2]"
1 33 ASN 3.335 0.168 18 0 "[ . 1 . 2]"
1 34 GLU 0.207 0.071 1 0 "[ . 1 . 2]"
1 35 ASN 0.755 0.092 14 0 "[ . 1 . 2]"
1 36 SER 1.727 0.095 8 0 "[ . 1 . 2]"
1 37 ASN 1.695 0.214 20 0 "[ . 1 . 2]"
1 38 ARG 2.399 0.095 8 0 "[ . 1 . 2]"
1 39 TYR 11.354 0.808 6 2 "[ .+ 1 . -]"
1 40 PRO 5.005 0.808 6 1 "[ .+ 1 . 2]"
1 41 ASN 9.170 0.844 9 7 "[ . *-+* *. ** 2]"
1 42 GLN 15.193 0.668 5 10 "[ * +** * *** - *]"
1 43 VAL 18.495 0.583 14 9 "[ * *** * +- * *]"
1 44 TYR 13.106 0.252 19 0 "[ . 1 . 2]"
1 45 TYR 11.062 0.415 7 0 "[ . 1 . 2]"
1 46 LYS 1.935 0.791 15 1 "[ . 1 + 2]"
1 47 GLU 3.528 0.791 15 1 "[ . 1 + 2]"
1 48 TYR 4.347 0.160 12 0 "[ . 1 . 2]"
1 49 ASN 1.066 0.141 6 0 "[ . 1 . 2]"
1 50 ASP 4.341 0.244 12 0 "[ . 1 . 2]"
1 51 ARG 3.989 0.244 12 0 "[ . 1 . 2]"
1 52 SER 2.406 0.231 12 0 "[ . 1 . 2]"
1 53 VAL 3.269 0.120 17 0 "[ . 1 . 2]"
1 54 PRO 3.790 0.312 11 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 3.832 0.312 11 0 "[ . 1 . 2]"
1 57 ARG 1.182 0.111 7 0 "[ . 1 . 2]"
1 58 PHE 6.872 0.637 10 1 "[ . + . 2]"
1 59 VAL 7.705 0.486 11 0 "[ . 1 . 2]"
1 60 ARG 5.098 0.332 20 0 "[ . 1 . 2]"
1 61 ASP 17.034 0.999 10 9 "[* ** * + ** *-]"
1 62 CYS 4.020 0.398 13 0 "[ . 1 . 2]"
1 63 VAL 14.619 0.999 10 9 "[- ** * + ** **]"
1 64 ASN 7.046 0.608 20 1 "[ . 1 . +]"
1 65 ILE 10.527 0.219 14 0 "[ . 1 . 2]"
1 66 THR 4.320 0.117 19 0 "[ . 1 . 2]"
1 67 VAL 5.441 0.114 6 0 "[ . 1 . 2]"
1 68 THR 8.179 0.139 7 0 "[ . 1 . 2]"
1 69 GLU 3.195 0.102 6 0 "[ . 1 . 2]"
1 70 TYR 6.698 0.114 11 0 "[ . 1 . 2]"
1 71 LYS 3.006 0.120 7 0 "[ . 1 . 2]"
1 72 ILE 4.266 0.120 16 0 "[ . 1 . 2]"
1 73 ASP 2.645 0.100 17 0 "[ . 1 . 2]"
1 74 PRO 2.808 0.115 7 0 "[ . 1 . 2]"
1 75 ASN 3.355 0.089 8 0 "[ . 1 . 2]"
1 76 GLU 1.702 0.087 20 0 "[ . 1 . 2]"
1 77 ASN 4.122 0.103 4 0 "[ . 1 . 2]"
1 78 GLN 6.090 0.470 1 0 "[ . 1 . 2]"
1 79 ASN 2.438 0.160 4 0 "[ . 1 . 2]"
1 80 VAL 10.745 0.160 4 0 "[ . 1 . 2]"
1 81 THR 7.045 0.123 18 0 "[ . 1 . 2]"
1 82 GLN 2.078 0.101 3 0 "[ . 1 . 2]"
1 83 VAL 2.667 0.528 15 1 "[ . 1 + 2]"
1 84 GLU 0.341 0.078 5 0 "[ . 1 . 2]"
1 85 VAL 6.707 0.123 18 0 "[ . 1 . 2]"
1 86 ARG 5.176 0.119 16 0 "[ . 1 . 2]"
1 87 VAL 4.489 0.634 1 1 "[+ . 1 . 2]"
1 88 MET 9.649 0.561 20 1 "[ . 1 . +]"
1 89 LYS 7.050 0.193 20 0 "[ . 1 . 2]"
1 90 GLN 10.198 0.994 13 5 "[ -. 1 *+ . ** 2]"
1 91 VAL 6.666 0.950 16 1 "[ . 1 .+ 2]"
1 92 ILE 9.873 0.950 16 1 "[ . 1 .+ 2]"
1 93 GLN 4.489 0.486 11 0 "[ . 1 . 2]"
1 94 GLU 1.647 0.107 20 0 "[ . 1 . 2]"
1 95 MET 9.499 0.190 7 0 "[ . 1 . 2]"
1 96 CYS 5.853 0.127 17 0 "[ . 1 . 2]"
1 97 MET 3.523 0.108 12 0 "[ . 1 . 2]"
1 98 GLN 5.269 0.109 9 0 "[ . 1 . 2]"
1 99 GLN 2.445 0.114 18 0 "[ . 1 . 2]"
1 100 TYR 6.684 0.637 10 1 "[ . + . 2]"
1 101 GLN 4.596 0.115 10 0 "[ . 1 . 2]"
1 102 GLN 3.903 0.098 1 0 "[ . 1 . 2]"
1 103 TYR 8.223 0.107 5 0 "[ . 1 . 2]"
1 104 GLN 5.640 0.105 1 0 "[ . 1 . 2]"
1 105 LEU 7.383 0.109 20 0 "[ . 1 . 2]"
1 106 ALA 2.525 0.109 20 0 "[ . 1 . 2]"
1 107 SER 2.763 0.107 5 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 2 SER H 1 2 SER QB . . 3.270 2.797 2.138 3.351 0.081 19 0 "[ . 1 . 2]" 1
2 1 3 VAL HA 1 3 VAL MG1 . . 3.320 2.646 2.206 3.291 . 0 0 "[ . 1 . 2]" 1
3 1 4 VAL H 1 4 VAL HB . . 3.380 2.915 2.432 3.457 0.077 16 0 "[ . 1 . 2]" 1
4 1 4 VAL H 1 5 GLY H . . 4.440 4.272 2.850 4.526 0.086 19 0 "[ . 1 . 2]" 1
5 1 4 VAL HA 1 4 VAL MG1 . . 3.230 2.681 2.283 3.285 0.055 19 0 "[ . 1 . 2]" 1
6 1 4 VAL HA 1 5 GLY H . . 3.010 2.422 2.029 3.100 0.090 11 0 "[ . 1 . 2]" 1
7 1 4 VAL HB 1 5 GLY H . . 4.270 3.898 3.337 4.358 0.088 3 0 "[ . 1 . 2]" 1
8 1 4 VAL MG1 1 5 GLY H . . 3.710 2.662 1.755 3.787 0.077 5 0 "[ . 1 . 2]" 1
9 1 4 VAL MG1 1 5 GLY QA . . 4.440 3.445 2.716 3.743 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL MG1 1 6 GLY H . . 4.560 3.907 2.293 4.653 0.093 8 0 "[ . 1 . 2]" 1
11 1 5 GLY H 1 6 GLY H . . 3.690 2.895 1.973 3.766 0.076 9 0 "[ . 1 . 2]" 1
12 1 5 GLY H 1 7 LEU QB . . 4.640 4.310 3.433 4.737 0.097 4 0 "[ . 1 . 2]" 1
13 1 6 GLY H 1 6 GLY QA . . 2.770 2.335 2.205 2.520 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLY QA 1 7 LEU H . . 3.140 2.285 2.077 3.074 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLY QA 1 7 LEU HA . . 4.650 4.091 3.880 4.264 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLY QA 1 7 LEU QB . . 4.630 4.079 3.617 4.673 0.043 1 0 "[ . 1 . 2]" 1
17 1 7 LEU H 1 7 LEU QB . . 3.180 2.947 2.007 3.290 0.110 2 0 "[ . 1 . 2]" 1
18 1 7 LEU H 1 7 LEU MD2 . . 4.500 3.832 2.456 4.248 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU H 1 8 GLY H . . 3.600 3.193 2.089 3.686 0.086 20 0 "[ . 1 . 2]" 1
20 1 7 LEU H 1 10 TYR QD . . 4.650 4.192 3.531 4.726 0.076 6 0 "[ . 1 . 2]" 1
21 1 7 LEU H 1 12 LEU MD2 . . 3.960 3.744 2.211 4.098 0.138 8 0 "[ . 1 . 2]" 1
22 1 7 LEU HA 1 7 LEU MD2 . . 3.840 2.770 1.954 3.727 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU HA 1 8 GLY H . . 3.130 2.337 1.945 3.229 0.099 1 0 "[ . 1 . 2]" 1
24 1 7 LEU HA 1 10 TYR QD . . 3.980 3.720 2.696 4.076 0.096 8 0 "[ . 1 . 2]" 1
25 1 7 LEU HA 1 12 LEU MD2 . . 3.370 2.841 2.050 3.485 0.115 1 0 "[ . 1 . 2]" 1
26 1 7 LEU QB 1 7 LEU MD1 . . 3.240 2.208 2.090 2.461 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU QB 1 7 LEU MD2 . . 3.200 2.349 1.992 2.623 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU QB 1 10 TYR QD . . 5.500 5.375 4.278 5.619 0.119 19 0 "[ . 1 . 2]" 1
29 1 7 LEU QB 1 12 LEU MD2 . . 3.120 2.334 1.862 3.229 0.109 11 0 "[ . 1 . 2]" 1
30 1 7 LEU MD1 1 12 LEU MD1 . . 5.500 4.595 3.351 5.626 0.126 7 0 "[ . 1 . 2]" 1
31 1 7 LEU MD2 1 8 GLY H . . 5.260 3.383 1.915 5.356 0.096 13 0 "[ . 1 . 2]" 1
32 1 7 LEU MD2 1 12 LEU MD1 . . 4.640 3.166 1.902 3.824 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU MD2 1 12 LEU MD2 . . 2.610 2.011 1.867 2.143 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU MD2 1 12 LEU HG . . 3.200 2.759 2.221 3.288 0.088 20 0 "[ . 1 . 2]" 1
35 1 7 LEU MD2 1 44 TYR QD . . 4.090 3.960 3.175 4.239 0.149 20 0 "[ . 1 . 2]" 1
36 1 8 GLY H 1 9 GLY H . . 3.220 3.090 2.559 3.304 0.084 2 0 "[ . 1 . 2]" 1
37 1 8 GLY H 1 10 TYR H . . 4.390 3.221 2.164 4.453 0.063 20 0 "[ . 1 . 2]" 1
38 1 8 GLY H 1 12 LEU MD2 . . 4.190 4.291 4.252 4.318 0.128 6 0 "[ . 1 . 2]" 1
39 1 9 GLY H 1 10 TYR H . . 3.600 2.687 1.728 3.357 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLY H 1 10 TYR QD . . 4.530 3.768 2.294 4.606 0.076 12 0 "[ . 1 . 2]" 1
41 1 10 TYR H 1 10 TYR HB2 . . 3.930 2.603 2.257 2.925 . 0 0 "[ . 1 . 2]" 1
42 1 10 TYR H 1 10 TYR QD . . 3.840 3.192 2.521 3.766 . 0 0 "[ . 1 . 2]" 1
43 1 10 TYR H 1 11 ALA H . . 4.790 4.376 4.153 4.615 . 0 0 "[ . 1 . 2]" 1
44 1 10 TYR HA 1 10 TYR QD . . 3.360 2.747 2.425 3.280 . 0 0 "[ . 1 . 2]" 1
45 1 10 TYR HA 1 11 ALA MB . . 4.900 4.075 3.771 4.291 . 0 0 "[ . 1 . 2]" 1
46 1 10 TYR HA 1 46 LYS HA . . 3.660 3.056 2.177 3.623 . 0 0 "[ . 1 . 2]" 1
47 1 10 TYR HA 1 47 GLU H . . 4.470 3.953 3.073 4.542 0.072 2 0 "[ . 1 . 2]" 1
48 1 10 TYR HA 1 47 GLU QG . . 4.420 4.264 2.906 4.526 0.106 11 0 "[ . 1 . 2]" 1
49 1 10 TYR HB2 1 11 ALA H . . 4.030 3.836 3.333 4.086 0.056 5 0 "[ . 1 . 2]" 1
50 1 10 TYR HB2 1 44 TYR HB2 . . 4.460 4.101 3.365 4.538 0.078 5 0 "[ . 1 . 2]" 1
51 1 10 TYR HB2 1 44 TYR HB3 . . 3.910 2.871 2.336 3.390 . 0 0 "[ . 1 . 2]" 1
52 1 10 TYR HB2 1 44 TYR QD . . 4.220 3.766 2.975 4.310 0.090 13 0 "[ . 1 . 2]" 1
53 1 10 TYR HB3 1 11 ALA H . . 3.920 2.719 2.144 3.131 . 0 0 "[ . 1 . 2]" 1
54 1 10 TYR HB3 1 44 TYR HB2 . . 4.630 3.479 2.807 3.770 . 0 0 "[ . 1 . 2]" 1
55 1 10 TYR HB3 1 44 TYR HB3 . . 4.110 2.382 2.164 2.650 . 0 0 "[ . 1 . 2]" 1
56 1 10 TYR HB3 1 44 TYR QD . . 4.050 4.097 3.645 4.302 0.252 19 0 "[ . 1 . 2]" 1
57 1 10 TYR HB3 1 46 LYS HA . . 5.500 4.082 2.622 4.739 . 0 0 "[ . 1 . 2]" 1
58 1 10 TYR HB3 1 65 ILE MG . . 4.610 3.829 3.359 4.275 . 0 0 "[ . 1 . 2]" 1
59 1 10 TYR QD 1 11 ALA H . . 5.050 3.693 3.329 4.316 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR QD 1 44 TYR HB2 . . 4.400 4.012 3.409 4.503 0.103 14 0 "[ . 1 . 2]" 1
61 1 10 TYR QD 1 45 TYR HA . . 4.410 4.016 3.652 4.490 0.080 5 0 "[ . 1 . 2]" 1
62 1 10 TYR QD 1 46 LYS HA . . 3.300 2.411 2.078 2.748 . 0 0 "[ . 1 . 2]" 1
63 1 10 TYR QD 1 46 LYS QB . . 4.150 2.857 2.187 3.378 . 0 0 "[ . 1 . 2]" 1
64 1 10 TYR QD 1 65 ILE MD . . 4.240 4.149 2.959 4.361 0.121 18 0 "[ . 1 . 2]" 1
65 1 10 TYR QD 1 65 ILE HG13 . . 4.520 3.851 3.367 4.533 0.013 15 0 "[ . 1 . 2]" 1
66 1 10 TYR QD 1 65 ILE MG . . 3.320 3.057 2.454 3.440 0.120 14 0 "[ . 1 . 2]" 1
67 1 10 TYR QE 1 46 LYS HA . . 4.050 3.748 3.237 4.122 0.072 15 0 "[ . 1 . 2]" 1
68 1 10 TYR QE 1 46 LYS QB . . 3.700 2.453 1.920 3.055 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR QE 1 46 LYS QD . . 4.260 3.466 2.591 4.226 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR QE 1 46 LYS QG . . 4.380 3.496 2.198 4.278 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR QE 1 65 ILE HB . . 4.290 4.390 4.369 4.401 0.111 14 0 "[ . 1 . 2]" 1
72 1 10 TYR QE 1 65 ILE MD . . 3.840 2.470 2.076 3.182 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR QE 1 65 ILE HG13 . . 4.690 2.567 2.098 3.293 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QE 1 65 ILE MG . . 3.650 3.225 2.407 3.734 0.084 6 0 "[ . 1 . 2]" 1
75 1 11 ALA H 1 11 ALA MB . . 3.670 2.288 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA H 1 45 TYR H . . 4.510 3.347 2.835 4.094 . 0 0 "[ . 1 . 2]" 1
77 1 11 ALA H 1 46 LYS HA . . 4.280 3.507 3.007 4.093 . 0 0 "[ . 1 . 2]" 1
78 1 11 ALA HA 1 12 LEU H . . 3.290 2.284 2.098 2.444 . 0 0 "[ . 1 . 2]" 1
79 1 11 ALA HA 1 12 LEU MD1 . . 4.910 4.019 2.939 4.920 0.010 16 0 "[ . 1 . 2]" 1
80 1 11 ALA MB 1 12 LEU H . . 3.890 3.221 2.589 3.534 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA MB 1 45 TYR QD . . 4.090 2.910 2.407 4.016 . 0 0 "[ . 1 . 2]" 1
82 1 11 ALA MB 1 45 TYR QE . . 3.370 2.579 2.279 3.243 . 0 0 "[ . 1 . 2]" 1
83 1 11 ALA MB 1 46 LYS HA . . 5.480 4.505 3.766 5.182 . 0 0 "[ . 1 . 2]" 1
84 1 11 ALA MB 1 47 GLU HA . . 5.430 4.286 3.369 4.995 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA MB 1 47 GLU HB3 . . 5.150 4.682 3.164 5.234 0.084 11 0 "[ . 1 . 2]" 1
86 1 11 ALA MB 1 47 GLU QG . . 4.080 2.330 2.041 2.773 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU H 1 12 LEU HB2 . . 3.640 3.460 2.853 3.730 0.090 10 0 "[ . 1 . 2]" 1
88 1 12 LEU H 1 12 LEU HB3 . . 3.760 3.452 3.120 3.792 0.032 2 0 "[ . 1 . 2]" 1
89 1 12 LEU H 1 12 LEU MD1 . . 4.460 2.604 1.821 3.127 . 0 0 "[ . 1 . 2]" 1
90 1 12 LEU H 1 12 LEU MD2 . . 3.740 3.210 1.767 3.861 0.121 6 0 "[ . 1 . 2]" 1
91 1 12 LEU H 1 44 TYR HB3 . . 5.500 5.142 4.647 5.572 0.072 6 0 "[ . 1 . 2]" 1
92 1 12 LEU H 1 44 TYR QD . . 4.700 4.724 4.348 4.810 0.110 5 0 "[ . 1 . 2]" 1
93 1 12 LEU HA 1 12 LEU MD1 . . 3.470 3.114 2.162 3.586 0.116 16 0 "[ . 1 . 2]" 1
94 1 12 LEU HA 1 12 LEU MD2 . . 4.240 3.949 3.681 4.142 . 0 0 "[ . 1 . 2]" 1
95 1 12 LEU HA 1 13 GLY H . . 3.560 2.381 2.095 2.684 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU HA 1 44 TYR HA . . 3.610 2.124 1.918 2.455 . 0 0 "[ . 1 . 2]" 1
97 1 12 LEU HA 1 44 TYR QD . . 3.820 3.622 2.353 3.929 0.109 8 0 "[ . 1 . 2]" 1
98 1 12 LEU HA 1 45 TYR H . . 5.210 3.129 2.613 3.541 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU HB2 1 12 LEU MD1 . . 3.630 2.577 2.133 3.238 . 0 0 "[ . 1 . 2]" 1
100 1 12 LEU HB2 1 12 LEU MD2 . . 3.330 2.420 2.243 2.721 . 0 0 "[ . 1 . 2]" 1
101 1 12 LEU HB2 1 13 GLY H . . 4.800 2.825 2.143 4.240 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU HB2 1 44 TYR QD . . 3.470 3.483 3.006 3.571 0.101 14 0 "[ . 1 . 2]" 1
103 1 12 LEU HB3 1 12 LEU MD1 . . 3.580 2.955 2.442 3.203 . 0 0 "[ . 1 . 2]" 1
104 1 12 LEU HB3 1 12 LEU MD2 . . 3.130 2.641 2.294 3.241 0.111 5 0 "[ . 1 . 2]" 1
105 1 12 LEU HB3 1 13 GLY H . . 5.080 3.360 2.507 3.976 . 0 0 "[ . 1 . 2]" 1
106 1 12 LEU HB3 1 44 TYR H . . 4.870 4.921 4.726 4.970 0.100 5 0 "[ . 1 . 2]" 1
107 1 12 LEU HB3 1 44 TYR QD . . 4.290 2.034 1.924 2.148 . 0 0 "[ . 1 . 2]" 1
108 1 12 LEU MD1 1 13 GLY H . . 3.950 3.623 3.037 4.071 0.121 5 0 "[ . 1 . 2]" 1
109 1 12 LEU MD1 1 44 TYR HA . . 4.760 3.973 2.132 4.887 0.127 18 0 "[ . 1 . 2]" 1
110 1 12 LEU MD1 1 44 TYR QD . . 4.690 3.503 1.932 4.502 . 0 0 "[ . 1 . 2]" 1
111 1 12 LEU MD2 1 42 GLN HE22 . . 5.500 3.720 2.622 5.514 0.014 2 0 "[ . 1 . 2]" 1
112 1 12 LEU MD2 1 44 TYR QD . . 3.700 2.679 1.987 3.852 0.152 14 0 "[ . 1 . 2]" 1
113 1 12 LEU HG 1 42 GLN HE22 . . 5.500 4.880 3.559 5.562 0.062 2 0 "[ . 1 . 2]" 1
114 1 13 GLY H 1 43 VAL H . . 3.930 3.773 2.977 4.015 0.085 12 0 "[ . 1 . 2]" 1
115 1 13 GLY H 1 44 TYR HA . . 4.480 3.645 3.034 4.403 . 0 0 "[ . 1 . 2]" 1
116 1 13 GLY HA2 1 45 TYR QE . . 3.330 3.464 2.444 3.745 0.415 7 0 "[ . 1 . 2]" 1
117 1 13 GLY HA3 1 45 TYR QE . . 3.650 2.393 2.086 3.411 . 0 0 "[ . 1 . 2]" 1
118 1 14 SER H 1 14 SER HB2 . . 3.850 3.081 2.278 3.931 0.081 2 0 "[ . 1 . 2]" 1
119 1 14 SER H 1 14 SER HB3 . . 3.830 3.682 2.756 3.955 0.125 19 0 "[ . 1 . 2]" 1
120 1 14 SER H 1 15 ALA H . . 4.300 3.621 2.063 4.393 0.093 4 0 "[ . 1 . 2]" 1
121 1 14 SER H 1 45 TYR QE . . 4.700 4.714 4.161 4.806 0.106 10 0 "[ . 1 . 2]" 1
122 1 14 SER HA 1 15 ALA MB . . 4.390 4.239 3.816 4.478 0.088 19 0 "[ . 1 . 2]" 1
123 1 14 SER HA 1 16 MET ME . . 4.830 4.185 2.221 4.936 0.106 6 0 "[ . 1 . 2]" 1
124 1 14 SER HB2 1 15 ALA H . . 3.920 2.925 2.086 3.836 . 0 0 "[ . 1 . 2]" 1
125 1 14 SER HB2 1 15 ALA MB . . 4.830 4.865 4.191 5.194 0.364 14 0 "[ . 1 . 2]" 1
126 1 14 SER HB2 1 16 MET ME . . 4.750 3.216 2.041 4.214 . 0 0 "[ . 1 . 2]" 1
127 1 14 SER HB3 1 15 ALA H . . 3.840 2.707 1.761 3.624 . 0 0 "[ . 1 . 2]" 1
128 1 14 SER HB3 1 15 ALA MB . . 5.080 4.525 3.959 5.209 0.129 2 0 "[ . 1 . 2]" 1
129 1 14 SER HB3 1 16 MET ME . . 4.280 3.382 1.998 4.814 0.534 1 1 "[+ . 1 . 2]" 1
130 1 15 ALA H 1 15 ALA MB . . 3.080 2.613 2.148 3.122 0.042 18 0 "[ . 1 . 2]" 1
131 1 15 ALA H 1 16 MET H . . 3.940 3.406 2.136 4.034 0.094 9 0 "[ . 1 . 2]" 1
132 1 15 ALA H 1 42 GLN HB2 . . 4.210 3.655 2.279 4.298 0.088 6 0 "[ . 1 . 2]" 1
133 1 15 ALA HA 1 16 MET H . . 3.320 2.320 1.969 2.743 . 0 0 "[ . 1 . 2]" 1
134 1 15 ALA HA 1 16 MET QG . . 5.020 3.919 3.316 4.475 . 0 0 "[ . 1 . 2]" 1
135 1 15 ALA HA 1 41 ASN HD21 . . 5.500 3.510 1.893 5.473 . 0 0 "[ . 1 . 2]" 1
136 1 15 ALA HA 1 42 GLN HA . . 4.250 3.074 2.226 3.766 . 0 0 "[ . 1 . 2]" 1
137 1 15 ALA HA 1 42 GLN HB2 . . 3.700 2.654 2.113 3.296 . 0 0 "[ . 1 . 2]" 1
138 1 15 ALA HA 1 42 GLN HB3 . . 5.110 4.297 3.817 4.973 . 0 0 "[ . 1 . 2]" 1
139 1 15 ALA HA 1 42 GLN HE21 . . 4.910 4.570 3.550 4.998 0.088 8 0 "[ . 1 . 2]" 1
140 1 15 ALA MB 1 16 MET H . . 3.810 3.552 3.103 3.755 . 0 0 "[ . 1 . 2]" 1
141 1 15 ALA MB 1 17 SER H . . 4.990 3.946 2.754 5.036 0.046 11 0 "[ . 1 . 2]" 1
142 1 15 ALA MB 1 17 SER QB . . 4.840 4.437 3.295 4.950 0.110 13 0 "[ . 1 . 2]" 1
143 1 15 ALA MB 1 41 ASN HD21 . . 4.270 3.408 2.052 4.293 0.023 10 0 "[ . 1 . 2]" 1
144 1 15 ALA MB 1 41 ASN HD22 . . 4.740 3.990 2.653 4.844 0.104 9 0 "[ . 1 . 2]" 1
145 1 15 ALA MB 1 42 GLN HA . . 4.640 4.225 3.280 4.739 0.099 5 0 "[ . 1 . 2]" 1
146 1 15 ALA MB 1 42 GLN HB2 . . 4.030 3.004 2.102 4.067 0.037 10 0 "[ . 1 . 2]" 1
147 1 15 ALA MB 1 42 GLN HB3 . . 5.450 4.332 3.293 5.415 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA MB 1 42 GLN HG2 . . 4.590 4.755 4.311 5.258 0.668 5 4 "[ + * * . - 2]" 1
149 1 16 MET H 1 16 MET HB2 . . 3.620 2.748 2.522 3.681 0.061 16 0 "[ . 1 . 2]" 1
150 1 16 MET H 1 16 MET HB3 . . 3.620 3.568 3.107 3.672 0.052 9 0 "[ . 1 . 2]" 1
151 1 16 MET H 1 16 MET QG . . 3.700 1.980 1.803 2.170 . 0 0 "[ . 1 . 2]" 1
152 1 16 MET H 1 17 SER H . . 4.030 3.001 2.688 3.680 . 0 0 "[ . 1 . 2]" 1
153 1 16 MET H 1 41 ASN HB2 . . 5.170 3.198 2.316 4.050 . 0 0 "[ . 1 . 2]" 1
154 1 16 MET H 1 41 ASN HB3 . . 5.480 4.474 2.795 5.552 0.072 12 0 "[ . 1 . 2]" 1
155 1 16 MET HA 1 16 MET ME . . 4.050 3.858 2.869 4.159 0.109 5 0 "[ . 1 . 2]" 1
156 1 16 MET HA 1 16 MET QG . . 3.810 2.996 2.376 3.376 . 0 0 "[ . 1 . 2]" 1
157 1 16 MET HA 1 17 SER H . . 3.560 3.374 1.980 3.601 0.041 1 0 "[ . 1 . 2]" 1
158 1 16 MET HB2 1 17 SER H . . 3.630 2.837 2.064 3.720 0.090 16 0 "[ . 1 . 2]" 1
159 1 16 MET HB2 1 41 ASN HB2 . . 5.120 2.881 2.126 4.586 . 0 0 "[ . 1 . 2]" 1
160 1 16 MET HB2 1 41 ASN HB3 . . 5.500 3.584 2.453 5.578 0.078 16 0 "[ . 1 . 2]" 1
161 1 16 MET HB3 1 17 SER H . . 4.090 3.800 2.783 4.179 0.089 4 0 "[ . 1 . 2]" 1
162 1 16 MET ME 1 16 MET QG . . 3.080 2.223 2.150 2.350 . 0 0 "[ . 1 . 2]" 1
163 1 16 MET ME 1 43 VAL MG1 . . 3.990 3.886 3.253 4.100 0.110 6 0 "[ . 1 . 2]" 1
164 1 16 MET ME 1 43 VAL MG2 . . 3.540 3.436 2.916 3.684 0.144 19 0 "[ . 1 . 2]" 1
165 1 16 MET ME 1 95 MET HA . . 3.730 2.863 2.262 3.558 . 0 0 "[ . 1 . 2]" 1
166 1 16 MET ME 1 95 MET QB . . 3.340 3.007 2.324 3.372 0.032 9 0 "[ . 1 . 2]" 1
167 1 16 MET ME 1 95 MET QG . . 5.500 3.824 2.344 4.628 . 0 0 "[ . 1 . 2]" 1
168 1 16 MET ME 1 98 GLN QB . . 2.760 2.489 2.025 2.868 0.108 6 0 "[ . 1 . 2]" 1
169 1 16 MET ME 1 99 GLN H . . 3.950 3.174 2.509 4.013 0.063 14 0 "[ . 1 . 2]" 1
170 1 16 MET ME 1 99 GLN HA . . 3.530 3.381 2.441 3.644 0.114 18 0 "[ . 1 . 2]" 1
171 1 16 MET ME 1 99 GLN QB . . 3.070 2.554 2.065 3.173 0.103 5 0 "[ . 1 . 2]" 1
172 1 16 MET QG 1 17 SER H . . 4.100 4.008 3.516 4.207 0.107 16 0 "[ . 1 . 2]" 1
173 1 16 MET QG 1 41 ASN HB2 . . 4.480 3.626 2.983 4.596 0.116 9 0 "[ . 1 . 2]" 1
174 1 16 MET QG 1 41 ASN HB3 . . 4.650 4.396 3.197 4.745 0.095 19 0 "[ . 1 . 2]" 1
175 1 16 MET QG 1 43 VAL MG2 . . 5.200 4.624 4.036 5.062 . 0 0 "[ . 1 . 2]" 1
176 1 16 MET QG 1 95 MET HA . . 5.330 3.597 2.595 4.760 . 0 0 "[ . 1 . 2]" 1
177 1 16 MET QG 1 95 MET ME . . 4.260 3.781 2.931 4.370 0.110 8 0 "[ . 1 . 2]" 1
178 1 17 SER H 1 17 SER QB . . 3.420 3.151 2.747 3.512 0.092 1 0 "[ . 1 . 2]" 1
179 1 17 SER H 1 18 GLY H . . 4.390 3.705 2.961 4.456 0.066 13 0 "[ . 1 . 2]" 1
180 1 17 SER HA 1 18 GLY H . . 3.200 2.489 1.971 3.298 0.098 5 0 "[ . 1 . 2]" 1
181 1 17 SER HA 1 19 MET H . . 4.280 4.128 3.342 4.363 0.083 17 0 "[ . 1 . 2]" 1
182 1 17 SER HA 1 41 ASN HB2 . . 5.500 3.581 2.480 4.128 . 0 0 "[ . 1 . 2]" 1
183 1 17 SER HA 1 41 ASN HB3 . . 5.480 3.984 3.336 5.231 . 0 0 "[ . 1 . 2]" 1
184 1 17 SER HA 1 41 ASN HD21 . . 5.500 3.365 2.236 4.248 . 0 0 "[ . 1 . 2]" 1
185 1 17 SER HA 1 41 ASN HD22 . . 5.500 3.149 2.156 5.148 . 0 0 "[ . 1 . 2]" 1
186 1 17 SER QB 1 18 GLY H . . 3.520 3.328 2.300 3.625 0.105 11 0 "[ . 1 . 2]" 1
187 1 17 SER QB 1 41 ASN HB3 . . 5.410 5.596 4.873 6.254 0.844 9 7 "[ . *-+* *. ** 2]" 1
188 1 18 GLY H 1 19 MET H . . 3.620 2.681 1.921 3.490 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLY QA 1 19 MET H . . 3.530 2.729 2.435 2.983 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLY QA 1 19 MET HA . . 4.710 4.180 3.861 4.589 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLY QA 1 19 MET HB3 . . 5.500 4.994 4.210 5.567 0.067 4 0 "[ . 1 . 2]" 1
192 1 18 GLY QA 1 20 ARG QG . . 5.120 4.887 4.289 5.238 0.118 11 0 "[ . 1 . 2]" 1
193 1 19 MET H 1 19 MET HB2 . . 3.590 2.674 2.057 3.645 0.055 11 0 "[ . 1 . 2]" 1
194 1 19 MET H 1 19 MET HB3 . . 3.280 2.883 2.339 3.611 0.331 2 0 "[ . 1 . 2]" 1
195 1 19 MET H 1 20 ARG H . . 4.640 4.606 4.277 4.693 0.053 9 0 "[ . 1 . 2]" 1
196 1 19 MET HA 1 19 MET ME . . 4.400 3.944 3.027 4.421 0.021 9 0 "[ . 1 . 2]" 1
197 1 19 MET HA 1 19 MET HG2 . . 3.750 3.131 2.140 4.263 0.513 6 2 "[ .+ - 1 . 2]" 1
198 1 19 MET HA 1 20 ARG H . . 2.800 2.381 2.201 2.781 . 0 0 "[ . 1 . 2]" 1
199 1 19 MET HA 1 20 ARG QB . . 5.410 4.143 3.943 4.458 . 0 0 "[ . 1 . 2]" 1
200 1 19 MET HB2 1 20 ARG H . . 4.020 3.588 2.131 4.105 0.085 5 0 "[ . 1 . 2]" 1
201 1 19 MET HB3 1 20 ARG H . . 3.710 3.454 2.418 3.797 0.087 10 0 "[ . 1 . 2]" 1
202 1 19 MET ME 1 20 ARG H . . 3.870 2.754 2.182 3.280 . 0 0 "[ . 1 . 2]" 1
203 1 19 MET ME 1 20 ARG QB . . 4.210 4.324 4.284 4.358 0.148 13 0 "[ . 1 . 2]" 1
204 1 19 MET ME 1 21 MET HA . . 4.820 3.901 3.294 4.549 . 0 0 "[ . 1 . 2]" 1
205 1 19 MET ME 1 21 MET ME . . 3.530 3.179 2.365 3.655 0.125 11 0 "[ . 1 . 2]" 1
206 1 19 MET ME 1 32 TRP HH2 . . 4.810 4.853 4.162 4.926 0.116 13 0 "[ . 1 . 2]" 1
207 1 19 MET ME 1 32 TRP HZ2 . . 4.510 4.055 3.597 4.591 0.081 1 0 "[ . 1 . 2]" 1
208 1 19 MET ME 1 91 VAL HA . . 5.180 3.271 2.676 3.715 . 0 0 "[ . 1 . 2]" 1
209 1 19 MET ME 1 91 VAL QG . . 3.980 2.167 1.938 2.499 . 0 0 "[ . 1 . 2]" 1
210 1 19 MET ME 1 94 GLU HB3 . . 3.050 2.800 2.130 3.149 0.099 8 0 "[ . 1 . 2]" 1
211 1 19 MET ME 1 95 MET H . . 3.860 3.403 3.100 3.664 . 0 0 "[ . 1 . 2]" 1
212 1 19 MET ME 1 95 MET HA . . 3.750 3.766 3.427 3.858 0.108 12 0 "[ . 1 . 2]" 1
213 1 19 MET ME 1 95 MET QG . . 3.970 2.893 1.970 4.070 0.100 13 0 "[ . 1 . 2]" 1
214 1 20 ARG H 1 20 ARG QB . . 3.310 2.695 2.290 3.245 . 0 0 "[ . 1 . 2]" 1
215 1 20 ARG H 1 20 ARG QG . . 4.090 3.596 2.335 4.171 0.081 9 0 "[ . 1 . 2]" 1
216 1 20 ARG H 1 21 MET H . . 4.310 4.321 3.696 4.390 0.080 12 0 "[ . 1 . 2]" 1
217 1 20 ARG HA 1 20 ARG QD . . 4.450 2.557 1.986 4.165 . 0 0 "[ . 1 . 2]" 1
218 1 20 ARG HA 1 20 ARG QG . . 3.870 2.712 2.173 3.371 . 0 0 "[ . 1 . 2]" 1
219 1 20 ARG HA 1 21 MET H . . 3.000 2.360 2.133 2.693 . 0 0 "[ . 1 . 2]" 1
220 1 20 ARG QB 1 20 ARG QD . . 2.810 2.414 2.082 2.753 . 0 0 "[ . 1 . 2]" 1
221 1 20 ARG QB 1 21 MET H . . 3.820 2.595 2.175 3.757 . 0 0 "[ . 1 . 2]" 1
222 1 20 ARG QB 1 21 MET HA . . 4.980 3.976 3.711 4.487 . 0 0 "[ . 1 . 2]" 1
223 1 20 ARG QD 1 32 TRP HZ2 . . 5.040 4.975 4.455 5.123 0.083 14 0 "[ . 1 . 2]" 1
224 1 21 MET H 1 21 MET QB . . 3.860 2.655 2.050 2.935 . 0 0 "[ . 1 . 2]" 1
225 1 21 MET H 1 21 MET HG3 . . 4.980 4.489 4.038 5.085 0.105 15 0 "[ . 1 . 2]" 1
226 1 21 MET H 1 22 ASN H . . 4.470 4.303 4.151 4.539 0.069 14 0 "[ . 1 . 2]" 1
227 1 21 MET HA 1 21 MET ME . . 3.830 3.808 3.376 3.949 0.119 12 0 "[ . 1 . 2]" 1
228 1 21 MET HA 1 21 MET HG2 . . 3.950 3.324 2.144 3.921 . 0 0 "[ . 1 . 2]" 1
229 1 21 MET HA 1 21 MET HG3 . . 3.570 3.147 2.279 3.601 0.031 20 0 "[ . 1 . 2]" 1
230 1 21 MET HA 1 22 ASN H . . 2.990 2.382 2.224 2.492 . 0 0 "[ . 1 . 2]" 1
231 1 21 MET QB 1 21 MET ME . . 3.350 2.744 2.191 3.292 . 0 0 "[ . 1 . 2]" 1
232 1 21 MET QB 1 23 PHE H . . 4.560 3.676 2.715 4.329 . 0 0 "[ . 1 . 2]" 1
233 1 21 MET QB 1 23 PHE QD . . 4.230 3.399 2.577 3.943 . 0 0 "[ . 1 . 2]" 1
234 1 21 MET QB 1 23 PHE QE . . 4.410 2.385 1.984 2.757 . 0 0 "[ . 1 . 2]" 1
235 1 21 MET QB 1 23 PHE HZ . . 4.440 2.919 2.404 3.413 . 0 0 "[ . 1 . 2]" 1
236 1 21 MET QB 1 91 VAL QG . . 3.740 2.588 2.054 3.001 . 0 0 "[ . 1 . 2]" 1
237 1 21 MET ME 1 21 MET HG2 . . 2.830 2.326 2.029 3.156 0.326 20 0 "[ . 1 . 2]" 1
238 1 21 MET ME 1 21 MET HG3 . . 3.290 2.801 2.032 3.287 . 0 0 "[ . 1 . 2]" 1
239 1 21 MET ME 1 23 PHE HA . . 4.730 4.332 3.492 4.803 0.073 17 0 "[ . 1 . 2]" 1
240 1 21 MET ME 1 23 PHE QD . . 4.030 3.911 3.459 4.135 0.105 9 0 "[ . 1 . 2]" 1
241 1 21 MET ME 1 23 PHE QE . . 3.910 3.282 2.819 3.599 . 0 0 "[ . 1 . 2]" 1
242 1 21 MET ME 1 23 PHE HZ . . 3.930 3.983 3.713 4.054 0.124 4 0 "[ . 1 . 2]" 1
243 1 21 MET ME 1 90 GLN HA . . 4.500 3.785 3.409 4.312 . 0 0 "[ . 1 . 2]" 1
244 1 21 MET ME 1 90 GLN HB2 . . 3.850 3.818 2.770 4.844 0.994 13 5 "[ -. 1 *+ . ** 2]" 1
245 1 21 MET ME 1 90 GLN QG . . 3.670 2.840 1.931 3.783 0.113 11 0 "[ . 1 . 2]" 1
246 1 21 MET ME 1 91 VAL HA . . 3.550 1.999 1.853 2.264 . 0 0 "[ . 1 . 2]" 1
247 1 21 MET ME 1 91 VAL HB . . 5.060 3.530 3.086 3.821 . 0 0 "[ . 1 . 2]" 1
248 1 21 MET ME 1 91 VAL QG . . 3.420 2.792 2.101 3.226 . 0 0 "[ . 1 . 2]" 1
249 1 21 MET ME 1 94 GLU HB2 . . 3.240 2.067 1.929 2.716 . 0 0 "[ . 1 . 2]" 1
250 1 21 MET ME 1 94 GLU HB3 . . 3.660 2.607 1.998 3.724 0.064 1 0 "[ . 1 . 2]" 1
251 1 21 MET ME 1 94 GLU QG . . 3.390 2.650 2.110 3.497 0.107 20 0 "[ . 1 . 2]" 1
252 1 21 MET ME 1 95 MET QG . . 4.760 4.845 4.562 4.894 0.134 10 0 "[ . 1 . 2]" 1
253 1 21 MET HG2 1 22 ASN H . . 4.090 3.738 2.380 4.276 0.186 20 0 "[ . 1 . 2]" 1
254 1 21 MET HG2 1 23 PHE QE . . 4.100 3.344 2.614 4.263 0.163 20 0 "[ . 1 . 2]" 1
255 1 21 MET HG3 1 22 ASN H . . 4.200 3.033 2.178 4.272 0.072 6 0 "[ . 1 . 2]" 1
256 1 21 MET HG3 1 23 PHE QE . . 4.160 3.507 2.848 4.233 0.073 9 0 "[ . 1 . 2]" 1
257 1 21 MET HG3 1 23 PHE HZ . . 4.450 3.891 2.774 4.530 0.080 6 0 "[ . 1 . 2]" 1
258 1 22 ASN H 1 22 ASN HB2 . . 3.790 2.911 2.135 3.816 0.026 8 0 "[ . 1 . 2]" 1
259 1 22 ASN H 1 22 ASN HB3 . . 3.920 3.323 2.540 3.782 . 0 0 "[ . 1 . 2]" 1
260 1 22 ASN H 1 22 ASN HD21 . . 4.820 4.156 2.990 4.903 0.083 16 0 "[ . 1 . 2]" 1
261 1 22 ASN H 1 23 PHE QD . . 4.320 4.239 3.694 4.412 0.092 16 0 "[ . 1 . 2]" 1
262 1 22 ASN HA 1 22 ASN HD21 . . 4.660 3.913 2.222 4.595 . 0 0 "[ . 1 . 2]" 1
263 1 22 ASN HA 1 23 PHE QD . . 3.700 3.644 3.048 3.795 0.095 20 0 "[ . 1 . 2]" 1
264 1 22 ASN HB3 1 23 PHE H . . 4.220 3.859 2.795 4.538 0.318 8 0 "[ . 1 . 2]" 1
265 1 23 PHE H 1 23 PHE HB2 . . 3.620 3.399 2.513 3.695 0.075 11 0 "[ . 1 . 2]" 1
266 1 23 PHE H 1 23 PHE QD . . 4.570 3.011 1.776 3.711 . 0 0 "[ . 1 . 2]" 1
267 1 23 PHE H 1 24 ASP H . . 5.430 4.435 3.072 4.657 . 0 0 "[ . 1 . 2]" 1
268 1 23 PHE HA 1 23 PHE QD . . 3.180 2.967 2.634 3.264 0.084 9 0 "[ . 1 . 2]" 1
269 1 23 PHE HA 1 24 ASP H . . 3.440 2.477 2.092 3.354 . 0 0 "[ . 1 . 2]" 1
270 1 23 PHE HA 1 25 ARG H . . 4.690 4.373 3.820 4.748 0.058 12 0 "[ . 1 . 2]" 1
271 1 23 PHE HB2 1 24 ASP H . . 4.440 3.411 2.870 3.932 . 0 0 "[ . 1 . 2]" 1
272 1 23 PHE HB2 1 29 ARG H . . 5.150 3.576 2.782 4.552 . 0 0 "[ . 1 . 2]" 1
273 1 23 PHE HB2 1 29 ARG QB . . 5.190 2.404 2.089 3.070 . 0 0 "[ . 1 . 2]" 1
274 1 23 PHE HB3 1 24 ASP H . . 4.190 2.408 1.920 4.136 . 0 0 "[ . 1 . 2]" 1
275 1 23 PHE HB3 1 28 GLU QG . . 4.400 2.648 2.052 4.428 0.028 17 0 "[ . 1 . 2]" 1
276 1 23 PHE HB3 1 29 ARG QB . . 4.930 3.843 2.879 4.396 . 0 0 "[ . 1 . 2]" 1
277 1 23 PHE QD 1 24 ASP H . . 4.170 3.825 3.312 4.250 0.080 20 0 "[ . 1 . 2]" 1
278 1 23 PHE QD 1 25 ARG H . . 4.860 4.747 3.999 4.946 0.086 2 0 "[ . 1 . 2]" 1
279 1 23 PHE QD 1 29 ARG HA . . 3.390 2.626 2.206 3.485 0.095 16 0 "[ . 1 . 2]" 1
280 1 23 PHE QD 1 29 ARG QB . . 4.060 2.789 2.171 3.862 . 0 0 "[ . 1 . 2]" 1
281 1 23 PHE QD 1 29 ARG QG . . 4.160 2.392 2.052 3.466 . 0 0 "[ . 1 . 2]" 1
282 1 23 PHE QD 1 86 ARG QG . . 4.450 4.301 3.878 4.569 0.119 16 0 "[ . 1 . 2]" 1
283 1 23 PHE QD 1 87 VAL HA . . 4.440 3.576 3.066 4.227 . 0 0 "[ . 1 . 2]" 1
284 1 23 PHE QD 1 87 VAL MG1 . . 5.110 4.509 4.070 4.872 . 0 0 "[ . 1 . 2]" 1
285 1 23 PHE QD 1 87 VAL MG2 . . 4.960 3.784 3.390 4.235 . 0 0 "[ . 1 . 2]" 1
286 1 23 PHE QD 1 90 GLN HB2 . . 4.810 3.321 2.256 4.711 . 0 0 "[ . 1 . 2]" 1
287 1 23 PHE QE 1 29 ARG HA . . 4.300 3.247 2.638 4.277 . 0 0 "[ . 1 . 2]" 1
288 1 23 PHE QE 1 32 TRP HB2 . . 4.130 2.985 2.525 3.561 . 0 0 "[ . 1 . 2]" 1
289 1 23 PHE QE 1 32 TRP HB3 . . 4.190 2.953 2.496 3.568 . 0 0 "[ . 1 . 2]" 1
290 1 23 PHE QE 1 32 TRP HD1 . . 3.540 2.725 2.512 3.096 . 0 0 "[ . 1 . 2]" 1
291 1 23 PHE QE 1 32 TRP HE1 . . 4.810 4.122 3.458 4.730 . 0 0 "[ . 1 . 2]" 1
292 1 23 PHE QE 1 87 VAL HA . . 3.730 2.183 1.949 2.344 . 0 0 "[ . 1 . 2]" 1
293 1 23 PHE QE 1 87 VAL MG1 . . 3.630 2.996 2.444 3.281 . 0 0 "[ . 1 . 2]" 1
294 1 23 PHE QE 1 87 VAL MG2 . . 4.360 3.236 2.812 3.564 . 0 0 "[ . 1 . 2]" 1
295 1 23 PHE QE 1 90 GLN HB2 . . 3.960 3.282 2.209 4.178 0.218 18 0 "[ . 1 . 2]" 1
296 1 23 PHE QE 1 90 GLN HB3 . . 4.110 2.750 2.146 3.801 . 0 0 "[ . 1 . 2]" 1
297 1 23 PHE QE 1 90 GLN QG . . 4.590 3.840 3.257 4.571 . 0 0 "[ . 1 . 2]" 1
298 1 23 PHE QE 1 91 VAL QG . . 3.600 3.339 3.078 3.595 . 0 0 "[ . 1 . 2]" 1
299 1 23 PHE HZ 1 32 TRP HB3 . . 4.640 4.306 3.894 4.624 . 0 0 "[ . 1 . 2]" 1
300 1 23 PHE HZ 1 32 TRP HD1 . . 4.520 4.535 4.132 4.599 0.079 2 0 "[ . 1 . 2]" 1
301 1 23 PHE HZ 1 87 VAL HA . . 4.940 3.508 2.907 4.054 . 0 0 "[ . 1 . 2]" 1
302 1 23 PHE HZ 1 87 VAL MG1 . . 3.740 2.331 2.101 2.595 . 0 0 "[ . 1 . 2]" 1
303 1 23 PHE HZ 1 91 VAL QG . . 3.480 2.757 2.348 3.205 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASP H 1 24 ASP HB2 . . 3.390 2.512 2.027 3.216 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASP H 1 25 ARG H . . 3.630 2.506 1.969 2.950 . 0 0 "[ . 1 . 2]" 1
306 1 24 ASP HB2 1 25 ARG H . . 3.930 3.758 2.563 4.250 0.320 14 0 "[ . 1 . 2]" 1
307 1 25 ARG H 1 25 ARG HB2 . . 3.870 2.567 2.246 2.844 . 0 0 "[ . 1 . 2]" 1
308 1 25 ARG H 1 25 ARG HB3 . . 3.820 3.698 3.367 3.894 0.074 9 0 "[ . 1 . 2]" 1
309 1 25 ARG H 1 25 ARG HG2 . . 4.260 3.827 2.908 4.344 0.084 1 0 "[ . 1 . 2]" 1
310 1 25 ARG H 1 25 ARG HG3 . . 4.000 3.418 2.760 4.070 0.070 5 0 "[ . 1 . 2]" 1
311 1 25 ARG H 1 26 PRO HA . . 5.110 4.998 4.718 5.190 0.080 3 0 "[ . 1 . 2]" 1
312 1 25 ARG H 1 26 PRO HD3 . . 4.800 4.858 4.744 4.885 0.085 7 0 "[ . 1 . 2]" 1
313 1 25 ARG HA 1 25 ARG QD . . 4.850 3.693 2.208 4.294 . 0 0 "[ . 1 . 2]" 1
314 1 25 ARG HA 1 25 ARG HG3 . . 3.980 3.316 2.849 3.752 . 0 0 "[ . 1 . 2]" 1
315 1 25 ARG HA 1 26 PRO HD2 . . 3.340 2.497 2.219 2.810 . 0 0 "[ . 1 . 2]" 1
316 1 25 ARG HA 1 26 PRO HD3 . . 3.440 2.290 2.173 2.486 . 0 0 "[ . 1 . 2]" 1
317 1 25 ARG HB2 1 26 PRO HD2 . . 5.500 3.913 3.417 4.547 . 0 0 "[ . 1 . 2]" 1
318 1 25 ARG HB2 1 26 PRO HD3 . . 4.910 4.756 4.383 5.222 0.312 17 0 "[ . 1 . 2]" 1
319 1 25 ARG HB3 1 25 ARG QD . . 3.680 2.384 2.163 2.851 . 0 0 "[ . 1 . 2]" 1
320 1 25 ARG HB3 1 25 ARG HG3 . . 2.770 2.942 2.578 3.055 0.285 9 0 "[ . 1 . 2]" 1
321 1 25 ARG HB3 1 26 PRO HD2 . . 5.500 2.413 2.040 3.337 . 0 0 "[ . 1 . 2]" 1
322 1 25 ARG HB3 1 26 PRO HD3 . . 5.500 3.669 3.199 4.526 . 0 0 "[ . 1 . 2]" 1
323 1 25 ARG HB3 1 27 GLU H . . 4.860 2.913 2.287 3.420 . 0 0 "[ . 1 . 2]" 1
324 1 25 ARG HB3 1 28 GLU H . . 4.850 3.882 3.037 4.993 0.143 2 0 "[ . 1 . 2]" 1
325 1 25 ARG QD 1 27 GLU H . . 5.440 4.449 3.392 5.260 . 0 0 "[ . 1 . 2]" 1
326 1 26 PRO HA 1 29 ARG H . . 4.690 3.404 2.919 3.720 . 0 0 "[ . 1 . 2]" 1
327 1 26 PRO HA 1 29 ARG QB . . 3.410 2.420 2.110 2.765 . 0 0 "[ . 1 . 2]" 1
328 1 26 PRO HA 1 29 ARG QD . . 5.220 3.732 2.982 4.801 . 0 0 "[ . 1 . 2]" 1
329 1 26 PRO HA 1 29 ARG QG . . 4.590 4.352 3.846 4.676 0.086 12 0 "[ . 1 . 2]" 1
330 1 26 PRO HA 1 30 GLN H . . 4.480 3.982 3.368 4.348 . 0 0 "[ . 1 . 2]" 1
331 1 26 PRO HB2 1 27 GLU H . . 3.940 3.515 3.172 3.866 . 0 0 "[ . 1 . 2]" 1
332 1 26 PRO HB2 1 27 GLU HA . . 3.930 3.990 3.906 4.012 0.082 5 0 "[ . 1 . 2]" 1
333 1 26 PRO HD2 1 27 GLU H . . 4.440 2.865 2.529 3.375 . 0 0 "[ . 1 . 2]" 1
334 1 26 PRO HD3 1 27 GLU H . . 4.740 4.028 3.776 4.428 . 0 0 "[ . 1 . 2]" 1
335 1 26 PRO HG2 1 27 GLU H . . 3.670 2.750 2.216 3.603 . 0 0 "[ . 1 . 2]" 1
336 1 27 GLU H 1 27 GLU HB2 . . 3.460 2.432 1.996 3.472 0.012 13 0 "[ . 1 . 2]" 1
337 1 27 GLU H 1 27 GLU HB3 . . 3.530 3.474 2.531 3.606 0.076 2 0 "[ . 1 . 2]" 1
338 1 27 GLU H 1 28 GLU H . . 3.850 2.829 2.412 3.016 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLU H 1 29 ARG H . . 4.360 3.976 3.610 4.344 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLU HA 1 30 GLN H . . 4.200 3.602 3.325 4.109 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLU HA 1 30 GLN HB2 . . 4.100 3.486 2.555 4.156 0.056 16 0 "[ . 1 . 2]" 1
342 1 27 GLU HA 1 30 GLN HB3 . . 3.890 3.342 2.891 3.949 0.059 4 0 "[ . 1 . 2]" 1
343 1 27 GLU HA 1 31 TRP H . . 5.500 4.437 3.940 4.988 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLU HB3 1 28 GLU H . . 4.470 3.186 2.149 4.058 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLU HB3 1 83 VAL QG . . 3.530 2.726 2.249 3.594 0.064 13 0 "[ . 1 . 2]" 1
346 1 27 GLU HG2 1 83 VAL QG . . 4.930 4.232 2.499 5.458 0.528 15 1 "[ . 1 + 2]" 1
347 1 28 GLU H 1 28 GLU HB2 . . 3.920 3.474 2.754 3.588 . 0 0 "[ . 1 . 2]" 1
348 1 28 GLU H 1 28 GLU QG . . 4.100 2.017 1.713 2.709 . 0 0 "[ . 1 . 2]" 1
349 1 28 GLU H 1 29 ARG H . . 4.050 2.717 2.429 2.884 . 0 0 "[ . 1 . 2]" 1
350 1 28 GLU H 1 29 ARG HA . . 5.370 5.328 5.081 5.430 0.060 5 0 "[ . 1 . 2]" 1
351 1 28 GLU HA 1 31 TRP H . . 5.500 3.279 2.956 3.545 . 0 0 "[ . 1 . 2]" 1
352 1 28 GLU HA 1 31 TRP QB . . 4.330 2.602 2.345 3.012 . 0 0 "[ . 1 . 2]" 1
353 1 28 GLU HA 1 83 VAL QG . . 4.040 2.606 1.941 3.481 . 0 0 "[ . 1 . 2]" 1
354 1 28 GLU HA 1 87 VAL MG2 . . 3.460 2.645 2.278 3.014 . 0 0 "[ . 1 . 2]" 1
355 1 28 GLU HB2 1 29 ARG H . . 4.240 3.695 3.002 4.083 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLU HB2 1 86 ARG QG . . 4.420 3.939 3.279 4.438 0.018 16 0 "[ . 1 . 2]" 1
357 1 28 GLU HB2 1 87 VAL H . . 4.550 3.828 3.103 4.626 0.076 19 0 "[ . 1 . 2]" 1
358 1 28 GLU HB2 1 87 VAL MG2 . . 3.710 2.133 1.928 3.087 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLU HB3 1 86 ARG QG . . 4.350 3.733 3.135 4.412 0.062 3 0 "[ . 1 . 2]" 1
360 1 28 GLU HB3 1 87 VAL H . . 4.200 4.051 3.131 4.634 0.434 9 0 "[ . 1 . 2]" 1
361 1 28 GLU HB3 1 87 VAL MG2 . . 3.680 2.817 1.977 3.417 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLU QG 1 29 ARG H . . 4.680 2.514 2.083 4.378 . 0 0 "[ . 1 . 2]" 1
363 1 29 ARG H 1 29 ARG QD . . 4.760 4.483 4.184 4.637 . 0 0 "[ . 1 . 2]" 1
364 1 29 ARG H 1 30 GLN H . . 3.930 2.661 2.532 2.956 . 0 0 "[ . 1 . 2]" 1
365 1 29 ARG H 1 31 TRP H . . 4.070 4.106 3.899 4.145 0.075 3 0 "[ . 1 . 2]" 1
366 1 29 ARG HA 1 32 TRP H . . 4.580 3.455 3.086 4.089 . 0 0 "[ . 1 . 2]" 1
367 1 29 ARG HA 1 32 TRP HB2 . . 5.500 3.453 3.034 4.307 . 0 0 "[ . 1 . 2]" 1
368 1 29 ARG HA 1 32 TRP HB3 . . 5.500 2.688 2.305 3.279 . 0 0 "[ . 1 . 2]" 1
369 1 29 ARG HA 1 32 TRP HD1 . . 4.650 4.108 3.593 4.702 0.052 16 0 "[ . 1 . 2]" 1
370 1 29 ARG HA 1 33 ASN H . . 4.840 4.298 3.915 4.876 0.036 18 0 "[ . 1 . 2]" 1
371 1 29 ARG HA 1 87 VAL MG2 . . 4.850 3.871 3.505 4.529 . 0 0 "[ . 1 . 2]" 1
372 1 29 ARG QG 1 30 GLN H . . 4.720 4.130 3.426 4.650 . 0 0 "[ . 1 . 2]" 1
373 1 30 GLN H 1 30 GLN HB2 . . 3.510 2.362 2.107 2.635 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLN H 1 30 GLN HB3 . . 3.270 2.710 2.355 3.336 0.066 4 0 "[ . 1 . 2]" 1
375 1 30 GLN H 1 30 GLN QG . . 4.120 3.971 3.369 4.070 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLN H 1 31 TRP H . . 3.980 2.633 2.330 2.820 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLN HA 1 30 GLN QG . . 3.700 2.432 2.100 2.964 . 0 0 "[ . 1 . 2]" 1
378 1 30 GLN HA 1 33 ASN H . . 4.280 3.498 3.107 3.874 . 0 0 "[ . 1 . 2]" 1
379 1 30 GLN HA 1 33 ASN HB2 . . 3.880 3.133 2.390 3.725 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLN HA 1 33 ASN HB3 . . 3.950 3.535 2.658 4.023 0.073 12 0 "[ . 1 . 2]" 1
381 1 30 GLN HB2 1 30 GLN QG . . 2.780 2.395 2.110 2.573 . 0 0 "[ . 1 . 2]" 1
382 1 30 GLN HB2 1 31 TRP H . . 4.120 3.770 3.125 4.107 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLN HB3 1 30 GLN QG . . 2.720 2.291 2.133 2.576 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLN HB3 1 31 TRP H . . 3.970 2.734 2.501 2.971 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLN HB3 1 31 TRP QB . . 5.280 3.926 3.626 4.224 . 0 0 "[ . 1 . 2]" 1
386 1 31 TRP H 1 31 TRP QB . . 3.520 2.193 2.128 2.255 . 0 0 "[ . 1 . 2]" 1
387 1 31 TRP H 1 31 TRP HE3 . . 4.630 4.706 4.697 4.714 0.084 13 0 "[ . 1 . 2]" 1
388 1 31 TRP H 1 32 TRP H . . 3.960 2.652 2.457 2.766 . 0 0 "[ . 1 . 2]" 1
389 1 31 TRP H 1 33 ASN H . . 4.070 4.074 3.857 4.149 0.079 2 0 "[ . 1 . 2]" 1
390 1 31 TRP HA 1 31 TRP HD1 . . 3.530 3.196 2.842 3.342 . 0 0 "[ . 1 . 2]" 1
391 1 31 TRP HA 1 31 TRP HE3 . . 4.610 4.312 4.125 4.444 . 0 0 "[ . 1 . 2]" 1
392 1 31 TRP HA 1 34 GLU H . . 5.140 3.176 3.002 3.314 . 0 0 "[ . 1 . 2]" 1
393 1 31 TRP HA 1 34 GLU QB . . 4.390 2.294 1.995 2.608 . 0 0 "[ . 1 . 2]" 1
394 1 31 TRP HA 1 83 VAL QG . . 5.500 4.194 4.005 4.501 . 0 0 "[ . 1 . 2]" 1
395 1 31 TRP HA 1 87 VAL MG2 . . 5.500 4.998 4.618 5.233 . 0 0 "[ . 1 . 2]" 1
396 1 31 TRP QB 1 31 TRP HD1 . . 3.250 2.541 2.497 2.562 . 0 0 "[ . 1 . 2]" 1
397 1 31 TRP QB 1 31 TRP HE3 . . 3.270 2.634 2.530 2.725 . 0 0 "[ . 1 . 2]" 1
398 1 31 TRP QB 1 34 GLU H . . 5.500 4.774 4.662 4.896 . 0 0 "[ . 1 . 2]" 1
399 1 31 TRP QB 1 83 VAL QG . . 3.700 2.384 2.083 2.687 . 0 0 "[ . 1 . 2]" 1
400 1 31 TRP QB 1 87 VAL MG1 . . 5.500 4.173 3.896 4.475 . 0 0 "[ . 1 . 2]" 1
401 1 31 TRP QB 1 87 VAL MG2 . . 3.750 2.599 2.247 2.889 . 0 0 "[ . 1 . 2]" 1
402 1 31 TRP HD1 1 34 GLU QB . . 4.420 4.179 3.820 4.337 . 0 0 "[ . 1 . 2]" 1
403 1 31 TRP HD1 1 83 VAL QG . . 3.270 2.374 2.222 3.037 . 0 0 "[ . 1 . 2]" 1
404 1 31 TRP HE3 1 32 TRP H . . 4.220 3.088 2.887 3.341 . 0 0 "[ . 1 . 2]" 1
405 1 31 TRP HE3 1 32 TRP HA . . 3.430 2.757 2.524 3.071 . 0 0 "[ . 1 . 2]" 1
406 1 31 TRP HE3 1 32 TRP HE3 . . 3.720 3.670 3.166 3.795 0.075 10 0 "[ . 1 . 2]" 1
407 1 31 TRP HE3 1 87 VAL HB . . 4.140 3.259 2.820 3.811 . 0 0 "[ . 1 . 2]" 1
408 1 31 TRP HE3 1 87 VAL MG1 . . 3.100 2.398 2.137 2.671 . 0 0 "[ . 1 . 2]" 1
409 1 31 TRP HE3 1 87 VAL MG2 . . 3.660 2.171 2.076 2.349 . 0 0 "[ . 1 . 2]" 1
410 1 31 TRP HZ2 1 84 GLU QB . . 4.910 2.915 2.425 4.981 0.071 20 0 "[ . 1 . 2]" 1
411 1 31 TRP HZ3 1 32 TRP HA . . 4.240 3.666 3.289 4.180 . 0 0 "[ . 1 . 2]" 1
412 1 31 TRP HZ3 1 32 TRP HE3 . . 3.400 3.202 2.588 3.476 0.076 15 0 "[ . 1 . 2]" 1
413 1 31 TRP HZ3 1 87 VAL MG1 . . 3.560 2.412 2.136 2.707 . 0 0 "[ . 1 . 2]" 1
414 1 31 TRP HZ3 1 87 VAL MG2 . . 4.420 3.696 3.505 3.945 . 0 0 "[ . 1 . 2]" 1
415 1 32 TRP H 1 32 TRP HB2 . . 3.660 2.479 2.301 2.592 . 0 0 "[ . 1 . 2]" 1
416 1 32 TRP H 1 32 TRP HB3 . . 3.600 2.419 2.282 2.624 . 0 0 "[ . 1 . 2]" 1
417 1 32 TRP H 1 33 ASN H . . 3.800 2.794 2.621 2.961 . 0 0 "[ . 1 . 2]" 1
418 1 32 TRP H 1 87 VAL MG1 . . 3.910 3.738 3.478 3.971 0.061 7 0 "[ . 1 . 2]" 1
419 1 32 TRP H 1 87 VAL MG2 . . 4.390 2.875 2.653 3.240 . 0 0 "[ . 1 . 2]" 1
420 1 32 TRP HA 1 32 TRP HE3 . . 3.240 2.221 2.105 2.359 . 0 0 "[ . 1 . 2]" 1
421 1 32 TRP HA 1 32 TRP HZ3 . . 4.390 4.471 4.459 4.480 0.090 5 0 "[ . 1 . 2]" 1
422 1 32 TRP HA 1 87 VAL MG1 . . 4.340 2.757 2.342 3.310 . 0 0 "[ . 1 . 2]" 1
423 1 32 TRP HA 1 87 VAL MG2 . . 4.580 3.575 3.202 4.130 . 0 0 "[ . 1 . 2]" 1
424 1 32 TRP HB2 1 33 ASN H . . 4.060 3.946 3.678 4.228 0.168 18 0 "[ . 1 . 2]" 1
425 1 32 TRP HB2 1 87 VAL MG1 . . 5.020 2.362 2.071 2.997 . 0 0 "[ . 1 . 2]" 1
426 1 32 TRP HB3 1 32 TRP HE3 . . 4.080 4.247 4.160 4.339 0.259 13 0 "[ . 1 . 2]" 1
427 1 32 TRP HB3 1 33 ASN H . . 4.340 2.659 2.344 3.097 . 0 0 "[ . 1 . 2]" 1
428 1 32 TRP HB3 1 34 GLU H . . 5.500 4.845 4.691 5.072 . 0 0 "[ . 1 . 2]" 1
429 1 32 TRP HB3 1 87 VAL MG1 . . 3.850 3.826 3.517 4.484 0.634 1 1 "[+ . 1 . 2]" 1
430 1 32 TRP HD1 1 33 ASN H . . 4.350 4.050 3.352 4.425 0.075 3 0 "[ . 1 . 2]" 1
431 1 32 TRP HD1 1 33 ASN HA . . 4.420 4.304 3.681 4.492 0.072 17 0 "[ . 1 . 2]" 1
432 1 32 TRP HE3 1 87 VAL MG1 . . 3.540 2.082 1.974 2.267 . 0 0 "[ . 1 . 2]" 1
433 1 32 TRP HE3 1 87 VAL MG2 . . 4.750 3.927 3.638 4.191 . 0 0 "[ . 1 . 2]" 1
434 1 32 TRP HE3 1 91 VAL QG . . 4.420 3.743 3.411 4.063 . 0 0 "[ . 1 . 2]" 1
435 1 32 TRP HH2 1 88 MET ME . . 4.310 4.157 3.285 4.405 0.095 8 0 "[ . 1 . 2]" 1
436 1 32 TRP HH2 1 91 VAL QG . . 3.970 3.072 2.603 3.610 . 0 0 "[ . 1 . 2]" 1
437 1 32 TRP HH2 1 95 MET ME . . 4.580 4.069 3.298 4.670 0.090 12 0 "[ . 1 . 2]" 1
438 1 32 TRP HZ2 1 91 VAL QG . . 4.570 3.361 2.715 4.100 . 0 0 "[ . 1 . 2]" 1
439 1 32 TRP HZ3 1 88 MET ME . . 4.040 3.123 2.657 3.601 . 0 0 "[ . 1 . 2]" 1
440 1 32 TRP HZ3 1 91 VAL QG . . 3.880 3.148 2.765 3.598 . 0 0 "[ . 1 . 2]" 1
441 1 33 ASN H 1 33 ASN HB2 . . 3.480 2.297 2.118 2.567 . 0 0 "[ . 1 . 2]" 1
442 1 33 ASN H 1 33 ASN HB3 . . 3.480 3.023 2.592 3.528 0.048 9 0 "[ . 1 . 2]" 1
443 1 33 ASN H 1 33 ASN HD21 . . 4.220 4.152 2.910 4.307 0.087 18 0 "[ . 1 . 2]" 1
444 1 33 ASN H 1 34 GLU H . . 3.920 2.536 2.367 2.787 . 0 0 "[ . 1 . 2]" 1
445 1 33 ASN HA 1 34 GLU QB . . 5.500 5.088 4.987 5.192 . 0 0 "[ . 1 . 2]" 1
446 1 33 ASN HB2 1 34 GLU H . . 4.270 3.713 3.008 4.318 0.048 18 0 "[ . 1 . 2]" 1
447 1 33 ASN HB3 1 34 GLU H . . 4.550 3.232 2.434 4.227 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLU H 1 34 GLU HG2 . . 4.850 4.425 3.830 4.645 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLU H 1 35 ASN H . . 3.760 2.621 2.069 3.375 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLU HA 1 34 GLU HG2 . . 3.910 3.075 2.344 3.773 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLU HA 1 34 GLU HG3 . . 3.630 2.845 2.289 3.701 0.071 1 0 "[ . 1 . 2]" 1
452 1 34 GLU QB 1 35 ASN H . . 5.140 2.597 1.912 3.962 . 0 0 "[ . 1 . 2]" 1
453 1 34 GLU QB 1 35 ASN HA . . 4.570 4.215 3.873 4.488 . 0 0 "[ . 1 . 2]" 1
454 1 34 GLU QB 1 35 ASN QB . . 4.670 3.868 3.121 4.327 . 0 0 "[ . 1 . 2]" 1
455 1 35 ASN HA 1 37 ASN H . . 4.050 3.777 3.280 4.137 0.087 4 0 "[ . 1 . 2]" 1
456 1 35 ASN HA 1 38 ARG H . . 4.540 4.047 3.432 4.625 0.085 5 0 "[ . 1 . 2]" 1
457 1 35 ASN HA 1 38 ARG QB . . 4.770 4.151 2.214 4.862 0.092 14 0 "[ . 1 . 2]" 1
458 1 35 ASN HA 1 38 ARG QG . . 5.190 3.034 2.153 4.621 . 0 0 "[ . 1 . 2]" 1
459 1 35 ASN QB 1 36 SER H . . 5.170 3.380 1.845 4.096 . 0 0 "[ . 1 . 2]" 1
460 1 35 ASN QB 1 37 ASN H . . 4.410 4.045 3.399 4.325 . 0 0 "[ . 1 . 2]" 1
461 1 35 ASN QB 1 38 ARG QB . . 4.450 3.138 2.020 4.186 . 0 0 "[ . 1 . 2]" 1
462 1 35 ASN QB 1 38 ARG QG . . 5.070 2.602 2.006 3.607 . 0 0 "[ . 1 . 2]" 1
463 1 36 SER H 1 37 ASN H . . 4.040 2.991 1.609 3.924 . 0 0 "[ . 1 . 2]" 1
464 1 36 SER H 1 38 ARG H . . 4.780 4.249 2.929 4.851 0.071 15 0 "[ . 1 . 2]" 1
465 1 36 SER HA 1 38 ARG H . . 5.500 4.456 3.510 5.325 . 0 0 "[ . 1 . 2]" 1
466 1 36 SER HA 1 38 ARG HE . . 5.500 5.525 4.539 5.595 0.095 8 0 "[ . 1 . 2]" 1
467 1 37 ASN H 1 37 ASN HB2 . . 4.200 3.100 2.181 3.900 . 0 0 "[ . 1 . 2]" 1
468 1 37 ASN H 1 37 ASN HB3 . . 3.660 3.183 2.548 3.874 0.214 20 0 "[ . 1 . 2]" 1
469 1 37 ASN H 1 38 ARG H . . 3.520 2.022 1.593 2.651 . 0 0 "[ . 1 . 2]" 1
470 1 37 ASN H 1 38 ARG QB . . 4.490 4.134 3.821 4.565 0.075 19 0 "[ . 1 . 2]" 1
471 1 37 ASN H 1 38 ARG QG . . 4.480 3.189 2.373 4.240 . 0 0 "[ . 1 . 2]" 1
472 1 37 ASN H 1 39 TYR H . . 4.340 4.153 3.388 4.438 0.098 5 0 "[ . 1 . 2]" 1
473 1 37 ASN HA 1 39 TYR H . . 4.940 3.905 2.634 4.967 0.027 16 0 "[ . 1 . 2]" 1
474 1 37 ASN HB2 1 38 ARG H . . 4.620 4.122 2.864 4.679 0.059 13 0 "[ . 1 . 2]" 1
475 1 37 ASN HB3 1 38 ARG H . . 4.900 3.638 2.586 4.519 . 0 0 "[ . 1 . 2]" 1
476 1 38 ARG H 1 38 ARG QB . . 3.540 2.592 2.304 2.907 . 0 0 "[ . 1 . 2]" 1
477 1 38 ARG H 1 38 ARG QD . . 4.860 3.798 2.903 4.598 . 0 0 "[ . 1 . 2]" 1
478 1 38 ARG H 1 38 ARG QG . . 3.320 2.211 1.903 2.863 . 0 0 "[ . 1 . 2]" 1
479 1 38 ARG H 1 39 TYR H . . 4.050 2.782 2.116 3.107 . 0 0 "[ . 1 . 2]" 1
480 1 38 ARG HA 1 38 ARG QD . . 4.650 2.987 2.007 4.433 . 0 0 "[ . 1 . 2]" 1
481 1 38 ARG QB 1 38 ARG QD . . 3.290 2.353 2.103 2.519 . 0 0 "[ . 1 . 2]" 1
482 1 38 ARG QB 1 39 TYR H . . 4.830 3.276 2.383 4.069 . 0 0 "[ . 1 . 2]" 1
483 1 39 TYR H 1 39 TYR QD . . 4.430 3.698 2.177 4.246 . 0 0 "[ . 1 . 2]" 1
484 1 39 TYR H 1 40 PRO HD3 . . 4.600 4.675 4.449 4.987 0.387 6 0 "[ . 1 . 2]" 1
485 1 39 TYR HA 1 39 TYR QD . . 3.490 2.502 2.142 2.924 . 0 0 "[ . 1 . 2]" 1
486 1 39 TYR HA 1 40 PRO HD2 . . 3.750 2.454 2.265 2.773 . 0 0 "[ . 1 . 2]" 1
487 1 39 TYR HA 1 40 PRO HD3 . . 3.620 2.236 2.030 2.526 . 0 0 "[ . 1 . 2]" 1
488 1 39 TYR QB 1 40 PRO HD2 . . 5.180 2.413 1.994 2.919 . 0 0 "[ . 1 . 2]" 1
489 1 39 TYR QB 1 88 MET ME . . 3.410 2.423 2.020 3.028 . 0 0 "[ . 1 . 2]" 1
490 1 39 TYR QD 1 40 PRO HD2 . . 4.000 2.343 2.201 3.108 . 0 0 "[ . 1 . 2]" 1
491 1 39 TYR QD 1 40 PRO HD3 . . 3.210 3.226 2.818 4.018 0.808 6 1 "[ .+ 1 . 2]" 1
492 1 39 TYR QD 1 40 PRO HG2 . . 4.260 4.322 4.216 4.358 0.098 13 0 "[ . 1 . 2]" 1
493 1 39 TYR QD 1 70 TYR HA . . 5.130 4.582 3.993 5.203 0.073 14 0 "[ . 1 . 2]" 1
494 1 39 TYR QD 1 70 TYR HB3 . . 4.870 3.654 3.086 4.061 . 0 0 "[ . 1 . 2]" 1
495 1 39 TYR QD 1 70 TYR QD . . 4.000 3.174 2.325 4.073 0.073 15 0 "[ . 1 . 2]" 1
496 1 39 TYR QD 1 72 ILE MD . . 4.180 3.861 3.368 4.256 0.076 9 0 "[ . 1 . 2]" 1
497 1 39 TYR QD 1 88 MET ME . . 3.440 2.927 2.104 3.519 0.079 15 0 "[ . 1 . 2]" 1
498 1 39 TYR QD 1 88 MET HG3 . . 4.060 3.528 2.527 4.621 0.561 20 1 "[ . 1 . +]" 1
499 1 39 TYR QE 1 70 TYR HB2 . . 3.980 3.997 3.685 4.070 0.090 17 0 "[ . 1 . 2]" 1
500 1 39 TYR QE 1 70 TYR HB3 . . 4.120 2.362 2.078 2.558 . 0 0 "[ . 1 . 2]" 1
501 1 39 TYR QE 1 72 ILE MD . . 3.750 3.014 2.213 3.780 0.030 16 0 "[ . 1 . 2]" 1
502 1 39 TYR QE 1 72 ILE HG12 . . 3.880 3.216 2.138 3.878 . 0 0 "[ . 1 . 2]" 1
503 1 39 TYR QE 1 72 ILE HG13 . . 4.170 3.945 3.217 4.260 0.090 16 0 "[ . 1 . 2]" 1
504 1 39 TYR QE 1 72 ILE MG . . 4.370 3.959 2.864 4.471 0.101 19 0 "[ . 1 . 2]" 1
505 1 39 TYR QE 1 88 MET ME . . 4.050 3.826 3.148 4.180 0.130 12 0 "[ . 1 . 2]" 1
506 1 39 TYR QE 1 88 MET HG2 . . 3.860 3.826 3.422 4.061 0.201 12 0 "[ . 1 . 2]" 1
507 1 39 TYR QE 1 88 MET HG3 . . 3.980 2.954 2.507 3.594 . 0 0 "[ . 1 . 2]" 1
508 1 40 PRO HA 1 41 ASN H . . 3.410 2.435 2.155 2.875 . 0 0 "[ . 1 . 2]" 1
509 1 40 PRO HB2 1 41 ASN H . . 4.190 2.567 1.898 3.011 . 0 0 "[ . 1 . 2]" 1
510 1 40 PRO HB2 1 42 GLN H . . 4.310 3.243 2.078 4.281 . 0 0 "[ . 1 . 2]" 1
511 1 40 PRO HB3 1 41 ASN H . . 3.790 3.462 3.238 3.701 . 0 0 "[ . 1 . 2]" 1
512 1 40 PRO HG2 1 41 ASN H . . 4.510 4.339 3.431 4.589 0.079 16 0 "[ . 1 . 2]" 1
513 1 41 ASN H 1 41 ASN HB2 . . 4.190 3.411 2.569 3.792 . 0 0 "[ . 1 . 2]" 1
514 1 41 ASN H 1 42 GLN H . . 4.420 3.254 2.453 4.166 . 0 0 "[ . 1 . 2]" 1
515 1 41 ASN HA 1 95 MET ME . . 3.510 2.361 2.074 2.696 . 0 0 "[ . 1 . 2]" 1
516 1 41 ASN HB2 1 42 GLN H . . 5.500 4.319 3.934 4.491 . 0 0 "[ . 1 . 2]" 1
517 1 41 ASN HB2 1 95 MET ME . . 4.600 4.229 3.490 4.690 0.090 1 0 "[ . 1 . 2]" 1
518 1 41 ASN HB3 1 42 GLN H . . 4.560 4.581 4.408 4.743 0.183 7 0 "[ . 1 . 2]" 1
519 1 41 ASN HB3 1 95 MET ME . . 4.370 4.021 3.543 4.560 0.190 7 0 "[ . 1 . 2]" 1
520 1 42 GLN H 1 43 VAL MG1 . . 4.670 4.039 3.690 4.669 . 0 0 "[ . 1 . 2]" 1
521 1 42 GLN H 1 95 MET ME . . 4.070 2.823 2.244 3.501 . 0 0 "[ . 1 . 2]" 1
522 1 42 GLN HA 1 42 GLN HG2 . . 3.680 3.253 2.770 3.634 . 0 0 "[ . 1 . 2]" 1
523 1 42 GLN HA 1 43 VAL MG1 . . 4.630 3.536 3.062 3.868 . 0 0 "[ . 1 . 2]" 1
524 1 42 GLN HA 1 95 MET ME . . 3.980 3.788 3.233 4.083 0.103 8 0 "[ . 1 . 2]" 1
525 1 42 GLN HB2 1 42 GLN HE21 . . 4.030 3.401 2.035 4.102 0.072 1 0 "[ . 1 . 2]" 1
526 1 42 GLN HB2 1 42 GLN HE22 . . 4.700 4.088 3.524 4.659 . 0 0 "[ . 1 . 2]" 1
527 1 42 GLN HB2 1 43 VAL H . . 4.400 3.937 3.756 4.284 . 0 0 "[ . 1 . 2]" 1
528 1 42 GLN HB3 1 42 GLN HE21 . . 4.380 3.662 2.094 4.458 0.078 11 0 "[ . 1 . 2]" 1
529 1 42 GLN HG2 1 43 VAL MG2 . . 3.900 4.219 3.527 4.483 0.583 14 9 "[ * *** * +- * *]" 1
530 1 42 GLN HG3 1 43 VAL MG2 . . 4.370 4.099 3.526 4.476 0.106 16 0 "[ . 1 . 2]" 1
531 1 43 VAL H 1 43 VAL MG1 . . 4.320 3.062 2.701 3.345 . 0 0 "[ . 1 . 2]" 1
532 1 43 VAL H 1 43 VAL MG2 . . 3.930 2.328 1.996 2.542 . 0 0 "[ . 1 . 2]" 1
533 1 43 VAL H 1 66 THR MG . . 4.290 4.381 4.310 4.407 0.117 19 0 "[ . 1 . 2]" 1
534 1 43 VAL HA 1 43 VAL MG1 . . 3.130 2.521 2.461 2.599 . 0 0 "[ . 1 . 2]" 1
535 1 43 VAL HA 1 44 TYR QD . . 4.040 3.747 3.156 4.154 0.114 14 0 "[ . 1 . 2]" 1
536 1 43 VAL HA 1 66 THR MG . . 3.450 2.024 1.934 2.097 . 0 0 "[ . 1 . 2]" 1
537 1 43 VAL HA 1 70 TYR QE . . 4.060 3.945 3.266 4.149 0.089 3 0 "[ . 1 . 2]" 1
538 1 43 VAL HB 1 66 THR MG . . 4.450 2.882 2.387 3.235 . 0 0 "[ . 1 . 2]" 1
539 1 43 VAL MG1 1 44 TYR H . . 4.460 4.001 3.810 4.338 . 0 0 "[ . 1 . 2]" 1
540 1 43 VAL MG1 1 91 VAL QG . . 5.500 4.221 4.037 4.568 . 0 0 "[ . 1 . 2]" 1
541 1 43 VAL MG1 1 92 ILE HA . . 4.200 2.807 2.547 3.203 . 0 0 "[ . 1 . 2]" 1
542 1 43 VAL MG1 1 92 ILE HG12 . . 4.730 2.805 2.461 3.443 . 0 0 "[ . 1 . 2]" 1
543 1 43 VAL MG1 1 95 MET H . . 4.060 4.147 4.092 4.181 0.121 14 0 "[ . 1 . 2]" 1
544 1 43 VAL MG1 1 95 MET QB . . 3.860 2.524 1.944 3.193 . 0 0 "[ . 1 . 2]" 1
545 1 43 VAL MG1 1 95 MET ME . . 2.810 2.252 1.976 2.944 0.134 8 0 "[ . 1 . 2]" 1
546 1 43 VAL MG1 1 95 MET QG . . 5.160 2.792 1.700 3.978 . 0 0 "[ . 1 . 2]" 1
547 1 43 VAL MG1 1 96 CYS HA . . 4.730 3.258 2.853 3.862 . 0 0 "[ . 1 . 2]" 1
548 1 43 VAL MG2 1 45 TYR QD . . 3.670 3.116 2.500 3.761 0.091 10 0 "[ . 1 . 2]" 1
549 1 43 VAL MG2 1 45 TYR QE . . 4.820 4.255 2.987 4.775 . 0 0 "[ . 1 . 2]" 1
550 1 43 VAL MG2 1 65 ILE MG . . 4.910 5.020 4.902 5.066 0.156 20 0 "[ . 1 . 2]" 1
551 1 43 VAL MG2 1 95 MET HA . . 4.650 4.699 4.482 4.763 0.113 18 0 "[ . 1 . 2]" 1
552 1 43 VAL MG2 1 95 MET QB . . 5.230 3.618 2.741 4.318 . 0 0 "[ . 1 . 2]" 1
553 1 43 VAL MG2 1 96 CYS HA . . 3.550 2.161 1.889 2.604 . 0 0 "[ . 1 . 2]" 1
554 1 43 VAL MG2 1 99 GLN QB . . 3.610 2.569 2.146 3.712 0.102 19 0 "[ . 1 . 2]" 1
555 1 44 TYR H 1 44 TYR QD . . 4.370 2.682 2.159 3.309 . 0 0 "[ . 1 . 2]" 1
556 1 44 TYR H 1 66 THR HG1 . . 5.150 2.938 2.482 4.430 . 0 0 "[ . 1 . 2]" 1
557 1 44 TYR H 1 66 THR MG . . 4.100 2.788 2.031 3.261 . 0 0 "[ . 1 . 2]" 1
558 1 44 TYR HA 1 44 TYR QD . . 3.580 2.975 2.248 3.449 . 0 0 "[ . 1 . 2]" 1
559 1 44 TYR HA 1 45 TYR H . . 3.510 2.404 2.269 2.562 . 0 0 "[ . 1 . 2]" 1
560 1 44 TYR HA 1 45 TYR QD . . 4.100 3.300 2.837 3.831 . 0 0 "[ . 1 . 2]" 1
561 1 44 TYR HA 1 65 ILE MG . . 4.910 4.194 4.062 4.566 . 0 0 "[ . 1 . 2]" 1
562 1 44 TYR HB2 1 45 TYR H . . 4.310 3.592 3.088 3.978 . 0 0 "[ . 1 . 2]" 1
563 1 44 TYR HB2 1 65 ILE MG . . 3.760 2.139 1.951 2.739 . 0 0 "[ . 1 . 2]" 1
564 1 44 TYR HB3 1 45 TYR H . . 4.810 2.929 2.343 3.301 . 0 0 "[ . 1 . 2]" 1
565 1 44 TYR HB3 1 65 ILE MG . . 3.660 3.327 3.003 3.749 0.089 6 0 "[ . 1 . 2]" 1
566 1 44 TYR QD 1 65 ILE MG . . 4.150 2.883 2.165 3.986 . 0 0 "[ . 1 . 2]" 1
567 1 44 TYR QD 1 66 THR HA . . 3.290 2.353 2.053 3.377 0.087 14 0 "[ . 1 . 2]" 1
568 1 44 TYR QD 1 66 THR MG . . 3.650 2.685 2.217 3.381 . 0 0 "[ . 1 . 2]" 1
569 1 44 TYR QD 1 69 GLU HB2 . . 3.860 2.839 2.342 3.340 . 0 0 "[ . 1 . 2]" 1
570 1 44 TYR QE 1 69 GLU HA . . 4.690 4.760 4.580 4.792 0.102 6 0 "[ . 1 . 2]" 1
571 1 44 TYR QE 1 69 GLU HB2 . . 4.140 2.494 2.090 3.514 . 0 0 "[ . 1 . 2]" 1
572 1 44 TYR QE 1 69 GLU HB3 . . 3.730 2.457 2.079 2.912 . 0 0 "[ . 1 . 2]" 1
573 1 44 TYR QE 1 70 TYR QD . . 3.920 2.825 2.260 3.978 0.058 15 0 "[ . 1 . 2]" 1
574 1 44 TYR QE 1 70 TYR QE . . 3.190 2.756 2.297 3.303 0.113 6 0 "[ . 1 . 2]" 1
575 1 45 TYR H 1 45 TYR HB3 . . 4.010 3.425 3.219 3.694 . 0 0 "[ . 1 . 2]" 1
576 1 45 TYR H 1 45 TYR QD . . 4.530 2.932 2.785 3.181 . 0 0 "[ . 1 . 2]" 1
577 1 45 TYR HA 1 45 TYR QD . . 3.740 3.751 3.559 3.814 0.074 19 0 "[ . 1 . 2]" 1
578 1 45 TYR HA 1 65 ILE MD . . 4.890 4.961 4.665 5.006 0.116 7 0 "[ . 1 . 2]" 1
579 1 45 TYR HA 1 65 ILE MG . . 4.400 2.893 2.281 3.815 . 0 0 "[ . 1 . 2]" 1
580 1 45 TYR HB2 1 46 LYS H . . 4.170 3.032 2.078 4.258 0.088 18 0 "[ . 1 . 2]" 1
581 1 45 TYR HB2 1 58 PHE QE . . 4.460 3.190 2.796 3.632 . 0 0 "[ . 1 . 2]" 1
582 1 45 TYR HB3 1 46 LYS H . . 5.500 3.928 3.523 4.531 . 0 0 "[ . 1 . 2]" 1
583 1 45 TYR HB3 1 58 PHE QE . . 4.140 3.360 2.632 3.819 . 0 0 "[ . 1 . 2]" 1
584 1 45 TYR QD 1 46 LYS H . . 4.870 4.259 2.868 4.958 0.088 7 0 "[ . 1 . 2]" 1
585 1 45 TYR QD 1 47 GLU HA . . 4.090 3.719 2.945 4.174 0.084 17 0 "[ . 1 . 2]" 1
586 1 45 TYR QD 1 47 GLU QG . . 3.850 3.566 2.386 3.945 0.095 15 0 "[ . 1 . 2]" 1
587 1 45 TYR QD 1 58 PHE QE . . 3.770 3.495 2.789 3.880 0.110 2 0 "[ . 1 . 2]" 1
588 1 45 TYR QE 1 102 GLN QB . . 4.880 4.107 3.306 4.460 . 0 0 "[ . 1 . 2]" 1
589 1 45 TYR QE 1 102 GLN HG3 . . 4.690 4.532 3.398 4.788 0.098 1 0 "[ . 1 . 2]" 1
590 1 46 LYS H 1 46 LYS QG . . 4.510 3.040 1.764 4.131 . 0 0 "[ . 1 . 2]" 1
591 1 46 LYS H 1 65 ILE MG . . 5.210 3.586 2.645 4.627 . 0 0 "[ . 1 . 2]" 1
592 1 46 LYS HA 1 46 LYS QD . . 4.870 4.289 3.755 4.692 . 0 0 "[ . 1 . 2]" 1
593 1 46 LYS HA 1 46 LYS QE . . 4.990 4.518 3.906 4.839 . 0 0 "[ . 1 . 2]" 1
594 1 46 LYS HA 1 47 GLU HB2 . . 4.750 4.650 4.139 5.541 0.791 15 1 "[ . 1 + 2]" 1
595 1 46 LYS HA 1 47 GLU QG . . 4.910 3.997 3.420 4.971 0.061 8 0 "[ . 1 . 2]" 1
596 1 46 LYS QB 1 48 TYR QE . . 3.970 3.208 2.154 3.795 . 0 0 "[ . 1 . 2]" 1
597 1 46 LYS QB 1 65 ILE MD . . 4.590 3.232 2.437 4.336 . 0 0 "[ . 1 . 2]" 1
598 1 46 LYS QD 1 48 TYR QE . . 3.680 2.482 2.004 3.797 0.117 12 0 "[ . 1 . 2]" 1
599 1 46 LYS QD 1 61 ASP HB2 . . 5.490 4.954 3.898 5.593 0.103 2 0 "[ . 1 . 2]" 1
600 1 46 LYS QD 1 61 ASP HB3 . . 4.880 4.098 2.570 4.895 0.015 6 0 "[ . 1 . 2]" 1
601 1 46 LYS QE 1 48 TYR HA . . 5.210 4.214 2.911 4.826 . 0 0 "[ . 1 . 2]" 1
602 1 46 LYS QE 1 48 TYR QD . . 4.260 3.193 2.017 4.118 . 0 0 "[ . 1 . 2]" 1
603 1 46 LYS QE 1 48 TYR QE . . 4.320 2.968 1.812 4.175 . 0 0 "[ . 1 . 2]" 1
604 1 46 LYS QE 1 65 ILE MD . . 5.240 4.283 3.631 4.947 . 0 0 "[ . 1 . 2]" 1
605 1 46 LYS QG 1 47 GLU H . . 4.640 3.375 2.273 4.440 . 0 0 "[ . 1 . 2]" 1
606 1 46 LYS QG 1 47 GLU HA . . 5.240 4.431 3.567 5.099 . 0 0 "[ . 1 . 2]" 1
607 1 46 LYS QG 1 48 TYR QE . . 4.570 2.705 1.885 4.143 . 0 0 "[ . 1 . 2]" 1
608 1 47 GLU H 1 47 GLU QG . . 4.700 2.644 2.052 3.922 . 0 0 "[ . 1 . 2]" 1
609 1 47 GLU HA 1 47 GLU QG . . 3.770 2.442 2.163 3.372 . 0 0 "[ . 1 . 2]" 1
610 1 47 GLU HA 1 48 TYR H . . 3.470 2.385 2.079 3.397 . 0 0 "[ . 1 . 2]" 1
611 1 47 GLU HA 1 48 TYR QD . . 4.490 4.211 3.242 4.596 0.106 17 0 "[ . 1 . 2]" 1
612 1 48 TYR H 1 48 TYR HB3 . . 3.940 3.722 3.444 4.100 0.160 12 0 "[ . 1 . 2]" 1
613 1 48 TYR H 1 48 TYR QD . . 3.690 3.302 2.730 3.777 0.087 11 0 "[ . 1 . 2]" 1
614 1 48 TYR H 1 49 ASN H . . 4.370 3.971 2.369 4.451 0.081 1 0 "[ . 1 . 2]" 1
615 1 48 TYR HA 1 48 TYR QD . . 3.320 2.374 2.067 3.022 . 0 0 "[ . 1 . 2]" 1
616 1 48 TYR HB2 1 49 ASN H . . 4.630 4.045 2.471 4.522 . 0 0 "[ . 1 . 2]" 1
617 1 48 TYR HB2 1 50 ASP H . . 4.150 3.681 2.399 4.216 0.066 3 0 "[ . 1 . 2]" 1
618 1 48 TYR HB2 1 53 VAL QG . . 4.580 3.586 3.079 4.042 . 0 0 "[ . 1 . 2]" 1
619 1 48 TYR HB3 1 49 ASN H . . 4.520 3.510 1.844 4.553 0.033 6 0 "[ . 1 . 2]" 1
620 1 48 TYR HB3 1 50 ASP H . . 4.160 2.893 2.146 3.751 . 0 0 "[ . 1 . 2]" 1
621 1 48 TYR HB3 1 53 VAL QG . . 4.440 3.625 2.855 4.020 . 0 0 "[ . 1 . 2]" 1
622 1 48 TYR QD 1 49 ASN H . . 5.500 4.320 3.923 4.831 . 0 0 "[ . 1 . 2]" 1
623 1 48 TYR QD 1 50 ASP H . . 4.520 4.500 3.917 4.623 0.103 10 0 "[ . 1 . 2]" 1
624 1 48 TYR QD 1 53 VAL QG . . 3.550 2.318 2.023 2.813 . 0 0 "[ . 1 . 2]" 1
625 1 48 TYR QD 1 58 PHE QD . . 3.960 3.229 2.595 4.072 0.112 6 0 "[ . 1 . 2]" 1
626 1 48 TYR QE 1 53 VAL QG . . 3.680 2.383 1.949 3.001 . 0 0 "[ . 1 . 2]" 1
627 1 48 TYR QE 1 57 ARG QG . . 4.200 4.000 2.948 4.311 0.111 7 0 "[ . 1 . 2]" 1
628 1 48 TYR QE 1 58 PHE HA . . 3.570 2.593 1.952 3.646 0.076 6 0 "[ . 1 . 2]" 1
629 1 48 TYR QE 1 58 PHE HB2 . . 4.490 3.544 2.618 4.560 0.070 14 0 "[ . 1 . 2]" 1
630 1 48 TYR QE 1 58 PHE QD . . 3.240 2.689 2.112 3.339 0.099 20 0 "[ . 1 . 2]" 1
631 1 49 ASN H 1 49 ASN HB2 . . 4.010 2.859 2.106 3.755 . 0 0 "[ . 1 . 2]" 1
632 1 49 ASN H 1 49 ASN HB3 . . 3.840 3.147 2.356 3.981 0.141 6 0 "[ . 1 . 2]" 1
633 1 49 ASN H 1 50 ASP H . . 3.990 2.647 1.863 3.017 . 0 0 "[ . 1 . 2]" 1
634 1 49 ASN H 1 51 ARG H . . 5.230 4.599 4.145 5.317 0.087 20 0 "[ . 1 . 2]" 1
635 1 50 ASP H 1 51 ARG H . . 4.590 2.788 1.954 4.029 . 0 0 "[ . 1 . 2]" 1
636 1 50 ASP HA 1 51 ARG H . . 3.550 3.103 2.015 3.534 . 0 0 "[ . 1 . 2]" 1
637 1 50 ASP HA 1 51 ARG QG . . 4.640 4.315 3.419 4.740 0.100 11 0 "[ . 1 . 2]" 1
638 1 50 ASP HA 1 52 SER H . . 4.600 4.466 3.851 4.686 0.086 10 0 "[ . 1 . 2]" 1
639 1 50 ASP HB2 1 51 ARG H . . 4.540 3.678 2.443 4.542 0.002 4 0 "[ . 1 . 2]" 1
640 1 50 ASP HB2 1 52 SER H . . 4.850 3.902 2.574 4.917 0.067 6 0 "[ . 1 . 2]" 1
641 1 50 ASP HB3 1 51 ARG H . . 3.860 3.687 2.951 4.104 0.244 12 0 "[ . 1 . 2]" 1
642 1 50 ASP HB3 1 52 SER H . . 4.630 3.448 2.310 4.861 0.231 12 0 "[ . 1 . 2]" 1
643 1 51 ARG H 1 51 ARG HB2 . . 3.840 3.442 2.307 3.903 0.063 18 0 "[ . 1 . 2]" 1
644 1 51 ARG H 1 51 ARG HB3 . . 3.670 3.459 2.622 3.912 0.242 9 0 "[ . 1 . 2]" 1
645 1 51 ARG H 1 51 ARG QD . . 4.740 3.843 2.799 4.618 . 0 0 "[ . 1 . 2]" 1
646 1 51 ARG H 1 51 ARG QG . . 3.890 2.664 2.136 3.832 . 0 0 "[ . 1 . 2]" 1
647 1 51 ARG H 1 52 SER H . . 3.720 3.290 2.891 3.790 0.070 20 0 "[ . 1 . 2]" 1
648 1 51 ARG HA 1 51 ARG QD . . 3.960 3.713 2.144 4.063 0.103 20 0 "[ . 1 . 2]" 1
649 1 51 ARG HA 1 51 ARG QG . . 3.740 2.893 2.252 3.598 . 0 0 "[ . 1 . 2]" 1
650 1 51 ARG HA 1 53 VAL H . . 5.500 3.699 3.012 4.937 . 0 0 "[ . 1 . 2]" 1
651 1 51 ARG HA 1 53 VAL QG . . 4.650 3.737 2.945 4.162 . 0 0 "[ . 1 . 2]" 1
652 1 51 ARG HA 1 103 TYR QE . . 3.820 2.997 2.068 3.736 . 0 0 "[ . 1 . 2]" 1
653 1 51 ARG HB2 1 51 ARG QD . . 3.830 2.635 2.063 3.512 . 0 0 "[ . 1 . 2]" 1
654 1 51 ARG HB3 1 51 ARG QD . . 3.670 2.610 2.172 3.478 . 0 0 "[ . 1 . 2]" 1
655 1 51 ARG HB3 1 103 TYR QE . . 4.840 3.396 2.101 4.740 . 0 0 "[ . 1 . 2]" 1
656 1 52 SER H 1 52 SER QB . . 3.680 2.733 2.424 3.243 . 0 0 "[ . 1 . 2]" 1
657 1 52 SER H 1 53 VAL H . . 3.630 2.765 1.660 3.708 0.078 10 0 "[ . 1 . 2]" 1
658 1 52 SER H 1 53 VAL QG . . 4.090 3.472 2.750 3.848 . 0 0 "[ . 1 . 2]" 1
659 1 52 SER HA 1 103 TYR QE . . 4.830 4.765 4.290 4.937 0.107 18 0 "[ . 1 . 2]" 1
660 1 52 SER QB 1 53 VAL H . . 4.850 3.832 3.343 4.164 . 0 0 "[ . 1 . 2]" 1
661 1 53 VAL H 1 53 VAL HB . . 3.520 2.717 1.848 3.614 0.094 17 0 "[ . 1 . 2]" 1
662 1 53 VAL H 1 53 VAL QG . . 3.770 2.437 1.894 2.990 . 0 0 "[ . 1 . 2]" 1
663 1 53 VAL HA 1 54 PRO HD2 . . 3.270 2.708 2.463 3.062 . 0 0 "[ . 1 . 2]" 1
664 1 53 VAL HA 1 54 PRO HD3 . . 3.450 2.144 2.045 2.354 . 0 0 "[ . 1 . 2]" 1
665 1 53 VAL HB 1 54 PRO HD2 . . 5.450 3.634 2.297 4.585 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL HB 1 54 PRO HD3 . . 4.600 4.241 3.423 4.689 0.089 14 0 "[ . 1 . 2]" 1
667 1 53 VAL HB 1 58 PHE QD . . 4.290 4.329 3.998 4.391 0.101 20 0 "[ . 1 . 2]" 1
668 1 53 VAL QG 1 54 PRO HD2 . . 4.460 2.557 1.996 3.553 . 0 0 "[ . 1 . 2]" 1
669 1 53 VAL QG 1 54 PRO HD3 . . 3.870 3.174 2.697 3.990 0.120 17 0 "[ . 1 . 2]" 1
670 1 53 VAL QG 1 56 GLY H . . 5.410 4.941 4.611 5.215 . 0 0 "[ . 1 . 2]" 1
671 1 53 VAL QG 1 57 ARG HB3 . . 3.960 2.656 2.088 3.451 . 0 0 "[ . 1 . 2]" 1
672 1 53 VAL QG 1 57 ARG QD . . 4.150 2.683 1.915 4.133 . 0 0 "[ . 1 . 2]" 1
673 1 53 VAL QG 1 57 ARG QG . . 4.450 2.757 2.036 3.999 . 0 0 "[ . 1 . 2]" 1
674 1 53 VAL QG 1 58 PHE H . . 4.520 2.976 2.529 3.390 . 0 0 "[ . 1 . 2]" 1
675 1 53 VAL QG 1 58 PHE HA . . 4.480 2.976 2.384 3.785 . 0 0 "[ . 1 . 2]" 1
676 1 53 VAL QG 1 58 PHE HB2 . . 4.140 2.049 1.907 2.143 . 0 0 "[ . 1 . 2]" 1
677 1 53 VAL QG 1 58 PHE HB3 . . 4.000 3.285 2.428 3.550 . 0 0 "[ . 1 . 2]" 1
678 1 53 VAL QG 1 58 PHE QD . . 3.600 2.247 2.007 2.669 . 0 0 "[ . 1 . 2]" 1
679 1 53 VAL QG 1 103 TYR QE . . 3.580 2.440 1.935 3.473 . 0 0 "[ . 1 . 2]" 1
680 1 54 PRO HB3 1 56 GLY H . . 4.060 4.136 3.691 4.372 0.312 11 0 "[ . 1 . 2]" 1
681 1 54 PRO HD2 1 56 GLY H . . 4.700 4.214 3.061 4.784 0.084 4 0 "[ . 1 . 2]" 1
682 1 54 PRO HD2 1 57 ARG HB2 . . 5.280 3.174 2.299 4.477 . 0 0 "[ . 1 . 2]" 1
683 1 54 PRO HD2 1 57 ARG HB3 . . 4.160 2.148 1.968 3.133 . 0 0 "[ . 1 . 2]" 1
684 1 54 PRO HD2 1 58 PHE H . . 4.880 3.462 3.078 4.057 . 0 0 "[ . 1 . 2]" 1
685 1 54 PRO HD3 1 57 ARG HB3 . . 4.490 3.512 2.888 4.537 0.047 20 0 "[ . 1 . 2]" 1
686 1 54 PRO QG 1 57 ARG H . . 4.710 2.173 1.885 2.939 . 0 0 "[ . 1 . 2]" 1
687 1 54 PRO QG 1 57 ARG HB2 . . 3.750 3.015 2.427 3.649 . 0 0 "[ . 1 . 2]" 1
688 1 54 PRO QG 1 57 ARG HB3 . . 3.740 2.967 2.210 3.810 0.070 9 0 "[ . 1 . 2]" 1
689 1 55 GLU H 1 55 GLU QG . . 4.180 2.874 2.106 3.961 . 0 0 "[ . 1 . 2]" 1
690 1 55 GLU H 1 56 GLY H . . 3.380 2.832 2.563 3.065 . 0 0 "[ . 1 . 2]" 1
691 1 56 GLY H 1 57 ARG H . . 4.440 2.709 2.115 3.062 . 0 0 "[ . 1 . 2]" 1
692 1 56 GLY HA2 1 59 VAL HB . . 5.460 3.645 3.287 3.966 . 0 0 "[ . 1 . 2]" 1
693 1 56 GLY HA2 1 59 VAL MG1 . . 5.460 4.868 4.385 5.180 . 0 0 "[ . 1 . 2]" 1
694 1 56 GLY HA2 1 59 VAL MG2 . . 5.500 4.256 3.990 4.549 . 0 0 "[ . 1 . 2]" 1
695 1 56 GLY HA3 1 59 VAL HB . . 5.500 5.208 4.878 5.526 0.026 7 0 "[ . 1 . 2]" 1
696 1 56 GLY HA3 1 59 VAL MG2 . . 5.500 5.531 5.304 5.599 0.099 17 0 "[ . 1 . 2]" 1
697 1 57 ARG H 1 57 ARG HB3 . . 3.960 2.635 2.290 3.087 . 0 0 "[ . 1 . 2]" 1
698 1 57 ARG H 1 58 PHE H . . 4.030 2.925 2.423 3.531 . 0 0 "[ . 1 . 2]" 1
699 1 57 ARG HA 1 57 ARG QD . . 4.210 3.869 2.293 4.280 0.070 6 0 "[ . 1 . 2]" 1
700 1 57 ARG HB2 1 58 PHE H . . 4.330 4.010 3.373 4.371 0.041 6 0 "[ . 1 . 2]" 1
701 1 57 ARG HB3 1 58 PHE H . . 3.880 2.794 2.290 3.233 . 0 0 "[ . 1 . 2]" 1
702 1 57 ARG QG 1 58 PHE H . . 4.430 3.797 3.340 4.252 . 0 0 "[ . 1 . 2]" 1
703 1 58 PHE H 1 58 PHE HB3 . . 3.650 2.527 2.243 2.695 . 0 0 "[ . 1 . 2]" 1
704 1 58 PHE H 1 58 PHE QD . . 4.730 4.228 4.129 4.285 . 0 0 "[ . 1 . 2]" 1
705 1 58 PHE H 1 59 VAL H . . 4.320 2.890 2.505 3.093 . 0 0 "[ . 1 . 2]" 1
706 1 58 PHE H 1 60 ARG H . . 3.980 4.018 3.677 4.062 0.082 1 0 "[ . 1 . 2]" 1
707 1 58 PHE HA 1 58 PHE QD . . 3.980 3.083 2.838 3.265 . 0 0 "[ . 1 . 2]" 1
708 1 58 PHE HA 1 61 ASP H . . 5.500 3.918 3.584 4.226 . 0 0 "[ . 1 . 2]" 1
709 1 58 PHE HA 1 61 ASP HB2 . . 5.050 3.952 3.141 4.712 . 0 0 "[ . 1 . 2]" 1
710 1 58 PHE HA 1 61 ASP HB3 . . 5.120 4.445 3.467 5.194 0.074 12 0 "[ . 1 . 2]" 1
711 1 58 PHE HB2 1 59 VAL H . . 4.590 3.729 3.578 3.849 . 0 0 "[ . 1 . 2]" 1
712 1 58 PHE HB2 1 100 TYR QE . . 4.180 4.048 3.299 4.817 0.637 10 1 "[ . + . 2]" 1
713 1 58 PHE HB3 1 59 VAL H . . 4.190 2.309 2.055 2.450 . 0 0 "[ . 1 . 2]" 1
714 1 58 PHE QD 1 59 VAL H . . 4.610 2.939 2.619 3.188 . 0 0 "[ . 1 . 2]" 1
715 1 58 PHE QD 1 59 VAL HA . . 4.310 2.891 2.627 3.238 . 0 0 "[ . 1 . 2]" 1
716 1 58 PHE QD 1 59 VAL MG1 . . 4.810 4.347 4.084 4.706 . 0 0 "[ . 1 . 2]" 1
717 1 58 PHE QD 1 59 VAL MG2 . . 3.740 2.393 2.064 2.793 . 0 0 "[ . 1 . 2]" 1
718 1 58 PHE QD 1 100 TYR H . . 5.500 4.765 4.034 5.585 0.085 20 0 "[ . 1 . 2]" 1
719 1 58 PHE QD 1 100 TYR HA . . 4.910 3.785 3.371 4.453 . 0 0 "[ . 1 . 2]" 1
720 1 58 PHE QD 1 100 TYR HB2 . . 4.640 2.455 2.232 2.966 . 0 0 "[ . 1 . 2]" 1
721 1 58 PHE QD 1 100 TYR HB3 . . 4.100 4.058 3.771 4.513 0.413 20 0 "[ . 1 . 2]" 1
722 1 58 PHE QE 1 100 TYR HA . . 4.220 2.736 2.205 3.338 . 0 0 "[ . 1 . 2]" 1
723 1 58 PHE QE 1 100 TYR HB3 . . 4.970 4.249 3.824 4.787 . 0 0 "[ . 1 . 2]" 1
724 1 59 VAL H 1 59 VAL HB . . 3.640 2.496 2.358 2.608 . 0 0 "[ . 1 . 2]" 1
725 1 59 VAL H 1 59 VAL MG1 . . 4.030 3.765 3.718 3.814 . 0 0 "[ . 1 . 2]" 1
726 1 59 VAL H 1 59 VAL MG2 . . 3.870 2.100 1.887 2.344 . 0 0 "[ . 1 . 2]" 1
727 1 59 VAL H 1 60 ARG H . . 4.140 2.769 2.542 3.002 . 0 0 "[ . 1 . 2]" 1
728 1 59 VAL H 1 60 ARG QB . . 4.740 4.483 4.222 4.743 0.003 10 0 "[ . 1 . 2]" 1
729 1 59 VAL H 1 61 ASP H . . 5.310 4.429 4.237 4.611 . 0 0 "[ . 1 . 2]" 1
730 1 59 VAL HA 1 59 VAL MG1 . . 3.330 2.490 2.281 2.595 . 0 0 "[ . 1 . 2]" 1
731 1 59 VAL HA 1 59 VAL MG2 . . 3.510 2.414 2.339 2.561 . 0 0 "[ . 1 . 2]" 1
732 1 59 VAL HA 1 62 CYS H . . 4.060 3.267 2.900 3.648 . 0 0 "[ . 1 . 2]" 1
733 1 59 VAL HA 1 62 CYS HB2 . . 3.460 3.581 2.971 3.858 0.398 13 0 "[ . 1 . 2]" 1
734 1 59 VAL HA 1 62 CYS HB3 . . 3.760 2.443 2.153 2.675 . 0 0 "[ . 1 . 2]" 1
735 1 59 VAL HA 1 63 VAL H . . 4.100 3.701 3.491 3.924 . 0 0 "[ . 1 . 2]" 1
736 1 59 VAL HA 1 96 CYS HB3 . . 3.720 3.226 2.532 3.798 0.078 20 0 "[ . 1 . 2]" 1
737 1 59 VAL HB 1 60 ARG H . . 3.620 2.880 2.608 3.238 . 0 0 "[ . 1 . 2]" 1
738 1 59 VAL HB 1 60 ARG HA . . 4.460 4.428 4.203 4.532 0.072 10 0 "[ . 1 . 2]" 1
739 1 59 VAL HB 1 97 MET QG . . 3.870 3.558 3.415 3.853 . 0 0 "[ . 1 . 2]" 1
740 1 59 VAL MG1 1 60 ARG H . . 4.160 3.592 3.420 4.042 . 0 0 "[ . 1 . 2]" 1
741 1 59 VAL MG1 1 61 ASP H . . 5.430 5.006 4.745 5.229 . 0 0 "[ . 1 . 2]" 1
742 1 59 VAL MG1 1 62 CYS HB3 . . 5.270 4.043 3.369 4.559 . 0 0 "[ . 1 . 2]" 1
743 1 59 VAL MG1 1 93 GLN HA . . 4.000 2.558 2.255 2.903 . 0 0 "[ . 1 . 2]" 1
744 1 59 VAL MG1 1 93 GLN HG2 . . 3.620 2.310 1.995 3.181 . 0 0 "[ . 1 . 2]" 1
745 1 59 VAL MG1 1 93 GLN HG3 . . 3.860 2.955 2.203 3.856 . 0 0 "[ . 1 . 2]" 1
746 1 59 VAL MG1 1 96 CYS H . . 4.690 4.050 3.763 4.192 . 0 0 "[ . 1 . 2]" 1
747 1 59 VAL MG1 1 96 CYS HB2 . . 3.430 2.713 2.252 3.518 0.088 20 0 "[ . 1 . 2]" 1
748 1 59 VAL MG1 1 96 CYS HB3 . . 4.150 2.177 2.004 2.514 . 0 0 "[ . 1 . 2]" 1
749 1 59 VAL MG1 1 97 MET HA . . 3.750 3.620 3.289 3.852 0.102 16 0 "[ . 1 . 2]" 1
750 1 59 VAL MG1 1 97 MET QG . . 3.700 2.054 1.903 2.245 . 0 0 "[ . 1 . 2]" 1
751 1 59 VAL MG2 1 60 ARG H . . 4.100 4.014 3.748 4.172 0.072 10 0 "[ . 1 . 2]" 1
752 1 59 VAL MG2 1 62 CYS HB2 . . 5.250 4.849 4.467 5.039 . 0 0 "[ . 1 . 2]" 1
753 1 59 VAL MG2 1 62 CYS HB3 . . 4.920 4.115 3.906 4.382 . 0 0 "[ . 1 . 2]" 1
754 1 59 VAL MG2 1 93 GLN HG2 . . 5.100 4.600 4.121 5.586 0.486 11 0 "[ . 1 . 2]" 1
755 1 59 VAL MG2 1 96 CYS HB2 . . 4.350 3.947 3.362 4.450 0.100 17 0 "[ . 1 . 2]" 1
756 1 59 VAL MG2 1 96 CYS HB3 . . 4.120 2.844 2.340 3.246 . 0 0 "[ . 1 . 2]" 1
757 1 59 VAL MG2 1 97 MET H . . 4.620 3.666 3.298 4.084 . 0 0 "[ . 1 . 2]" 1
758 1 59 VAL MG2 1 97 MET HA . . 3.560 2.343 2.146 2.532 . 0 0 "[ . 1 . 2]" 1
759 1 59 VAL MG2 1 97 MET QG . . 3.810 2.005 1.902 2.194 . 0 0 "[ . 1 . 2]" 1
760 1 60 ARG H 1 60 ARG QB . . 3.560 2.156 2.021 2.282 . 0 0 "[ . 1 . 2]" 1
761 1 60 ARG H 1 60 ARG QD . . 5.500 4.447 3.952 4.880 . 0 0 "[ . 1 . 2]" 1
762 1 60 ARG H 1 60 ARG HG3 . . 4.510 4.452 4.112 4.569 0.059 15 0 "[ . 1 . 2]" 1
763 1 60 ARG H 1 61 ASP H . . 3.790 2.859 2.737 3.019 . 0 0 "[ . 1 . 2]" 1
764 1 60 ARG HA 1 60 ARG QD . . 4.110 2.912 2.138 4.178 0.068 7 0 "[ . 1 . 2]" 1
765 1 60 ARG HA 1 60 ARG HG2 . . 3.940 2.763 2.193 3.849 . 0 0 "[ . 1 . 2]" 1
766 1 60 ARG HA 1 60 ARG HG3 . . 4.040 3.338 2.547 3.761 . 0 0 "[ . 1 . 2]" 1
767 1 60 ARG HA 1 63 VAL H . . 5.000 3.986 3.706 4.672 . 0 0 "[ . 1 . 2]" 1
768 1 60 ARG HA 1 63 VAL MG1 . . 4.400 3.683 3.267 4.380 . 0 0 "[ . 1 . 2]" 1
769 1 60 ARG HA 1 63 VAL MG2 . . 4.500 2.442 2.115 3.069 . 0 0 "[ . 1 . 2]" 1
770 1 60 ARG HA 1 64 ASN H . . 5.440 4.731 4.193 5.220 . 0 0 "[ . 1 . 2]" 1
771 1 60 ARG QB 1 60 ARG QD . . 3.410 2.410 2.127 2.763 . 0 0 "[ . 1 . 2]" 1
772 1 60 ARG QB 1 61 ASP H . . 4.140 2.834 2.480 3.118 . 0 0 "[ . 1 . 2]" 1
773 1 60 ARG QD 1 64 ASN HD22 . . 5.200 4.432 2.616 5.283 0.083 5 0 "[ . 1 . 2]" 1
774 1 60 ARG HG3 1 61 ASP H . . 5.170 5.052 3.951 5.502 0.332 20 0 "[ . 1 . 2]" 1
775 1 61 ASP H 1 61 ASP HB2 . . 4.180 2.337 2.067 2.671 . 0 0 "[ . 1 . 2]" 1
776 1 61 ASP HA 1 64 ASN H . . 4.600 3.405 2.611 3.693 . 0 0 "[ . 1 . 2]" 1
777 1 61 ASP HA 1 64 ASN HB2 . . 3.900 2.468 2.163 2.667 . 0 0 "[ . 1 . 2]" 1
778 1 61 ASP HA 1 64 ASN HB3 . . 3.750 3.720 2.686 3.980 0.230 8 0 "[ . 1 . 2]" 1
779 1 61 ASP HA 1 64 ASN HD22 . . 5.120 4.891 2.715 5.728 0.608 20 1 "[ . 1 . +]" 1
780 1 61 ASP HB2 1 62 CYS H . . 4.480 3.184 2.388 3.847 . 0 0 "[ . 1 . 2]" 1
781 1 61 ASP HB2 1 63 VAL H . . 4.870 5.373 4.951 5.869 0.999 10 9 "[- ** * + ** **]" 1
782 1 61 ASP HB3 1 62 CYS H . . 4.870 2.903 2.310 3.575 . 0 0 "[ . 1 . 2]" 1
783 1 62 CYS H 1 62 CYS HB2 . . 4.040 2.789 2.236 3.514 . 0 0 "[ . 1 . 2]" 1
784 1 62 CYS H 1 63 VAL H . . 4.260 2.796 2.570 2.984 . 0 0 "[ . 1 . 2]" 1
785 1 62 CYS H 1 63 VAL MG2 . . 4.500 4.154 3.822 4.425 . 0 0 "[ . 1 . 2]" 1
786 1 62 CYS HA 1 65 ILE H . . 5.120 3.271 2.868 3.669 . 0 0 "[ . 1 . 2]" 1
787 1 62 CYS HA 1 65 ILE HB . . 5.480 2.499 2.093 3.613 . 0 0 "[ . 1 . 2]" 1
788 1 62 CYS HA 1 65 ILE MD . . 4.710 3.905 3.090 4.823 0.113 6 0 "[ . 1 . 2]" 1
789 1 62 CYS HA 1 65 ILE MG . . 3.910 3.166 1.988 3.784 . 0 0 "[ . 1 . 2]" 1
790 1 62 CYS HB2 1 63 VAL H . . 4.330 4.086 3.876 4.466 0.136 11 0 "[ . 1 . 2]" 1
791 1 62 CYS HB3 1 63 VAL MG1 . . 5.280 3.972 3.154 4.933 . 0 0 "[ . 1 . 2]" 1
792 1 63 VAL H 1 63 VAL HB . . 3.550 3.633 3.602 3.648 0.098 13 0 "[ . 1 . 2]" 1
793 1 63 VAL H 1 63 VAL MG1 . . 3.480 2.437 2.214 2.633 . 0 0 "[ . 1 . 2]" 1
794 1 63 VAL H 1 63 VAL MG2 . . 4.010 2.192 1.976 2.358 . 0 0 "[ . 1 . 2]" 1
795 1 63 VAL H 1 64 ASN H . . 3.970 2.555 2.372 2.678 . 0 0 "[ . 1 . 2]" 1
796 1 63 VAL HA 1 63 VAL MG1 . . 3.020 2.331 2.228 2.430 . 0 0 "[ . 1 . 2]" 1
797 1 63 VAL HA 1 63 VAL MG2 . . 3.510 3.303 3.281 3.334 . 0 0 "[ . 1 . 2]" 1
798 1 63 VAL HA 1 66 THR H . . 4.500 3.361 3.106 3.657 . 0 0 "[ . 1 . 2]" 1
799 1 63 VAL HA 1 66 THR HB . . 4.240 3.144 2.876 3.658 . 0 0 "[ . 1 . 2]" 1
800 1 63 VAL HA 1 67 VAL H . . 5.400 4.040 3.765 4.275 . 0 0 "[ . 1 . 2]" 1
801 1 63 VAL HA 1 67 VAL MG1 . . 4.780 3.919 3.548 4.158 . 0 0 "[ . 1 . 2]" 1
802 1 63 VAL HA 1 92 ILE HB . . 4.200 4.014 3.549 4.267 0.067 10 0 "[ . 1 . 2]" 1
803 1 63 VAL HA 1 92 ILE MD . . 4.410 4.035 3.685 4.254 . 0 0 "[ . 1 . 2]" 1
804 1 63 VAL HA 1 92 ILE MG . . 3.090 2.027 1.904 2.154 . 0 0 "[ . 1 . 2]" 1
805 1 63 VAL HB 1 64 ASN H . . 3.600 3.658 3.593 3.686 0.086 16 0 "[ . 1 . 2]" 1
806 1 63 VAL HB 1 92 ILE MG . . 4.700 2.841 2.362 3.409 . 0 0 "[ . 1 . 2]" 1
807 1 63 VAL MG1 1 64 ASN H . . 4.450 3.958 3.837 4.050 . 0 0 "[ . 1 . 2]" 1
808 1 63 VAL MG1 1 93 GLN H . . 3.860 3.036 2.719 3.308 . 0 0 "[ . 1 . 2]" 1
809 1 63 VAL MG1 1 93 GLN HA . . 3.490 2.083 1.909 2.271 . 0 0 "[ . 1 . 2]" 1
810 1 63 VAL MG1 1 93 GLN QB . . 4.270 3.010 2.463 3.469 . 0 0 "[ . 1 . 2]" 1
811 1 63 VAL MG1 1 93 GLN HG2 . . 3.540 2.849 2.213 3.408 . 0 0 "[ . 1 . 2]" 1
812 1 63 VAL MG1 1 93 GLN HG3 . . 3.460 2.311 1.976 3.341 . 0 0 "[ . 1 . 2]" 1
813 1 63 VAL MG1 1 96 CYS HB2 . . 3.150 2.752 2.246 3.247 0.097 19 0 "[ . 1 . 2]" 1
814 1 63 VAL MG1 1 96 CYS HB3 . . 4.680 3.074 2.562 3.619 . 0 0 "[ . 1 . 2]" 1
815 1 63 VAL MG2 1 64 ASN H . . 4.330 2.224 2.114 2.361 . 0 0 "[ . 1 . 2]" 1
816 1 63 VAL MG2 1 64 ASN HA . . 4.330 3.548 3.328 3.838 . 0 0 "[ . 1 . 2]" 1
817 1 63 VAL MG2 1 64 ASN HB2 . . 4.690 3.544 3.070 4.042 . 0 0 "[ . 1 . 2]" 1
818 1 63 VAL MG2 1 93 GLN HG2 . . 4.280 4.097 3.342 4.391 0.111 19 0 "[ . 1 . 2]" 1
819 1 63 VAL MG2 1 93 GLN HG3 . . 3.870 3.204 2.847 3.904 0.034 8 0 "[ . 1 . 2]" 1
820 1 64 ASN H 1 64 ASN HB2 . . 3.640 2.185 2.021 2.576 . 0 0 "[ . 1 . 2]" 1
821 1 64 ASN H 1 64 ASN HB3 . . 3.920 3.378 2.862 3.595 . 0 0 "[ . 1 . 2]" 1
822 1 64 ASN H 1 65 ILE H . . 3.970 2.751 2.555 2.884 . 0 0 "[ . 1 . 2]" 1
823 1 64 ASN HA 1 67 VAL H . . 5.500 3.637 3.453 3.711 . 0 0 "[ . 1 . 2]" 1
824 1 64 ASN HA 1 67 VAL HB . . 4.640 4.729 4.711 4.738 0.098 6 0 "[ . 1 . 2]" 1
825 1 64 ASN HA 1 67 VAL MG1 . . 4.150 3.736 3.501 3.870 . 0 0 "[ . 1 . 2]" 1
826 1 64 ASN HA 1 67 VAL MG2 . . 3.970 1.936 1.901 1.972 . 0 0 "[ . 1 . 2]" 1
827 1 64 ASN HA 1 68 THR H . . 4.970 4.109 3.877 4.463 . 0 0 "[ . 1 . 2]" 1
828 1 64 ASN HB2 1 65 ILE H . . 4.290 3.042 2.636 3.508 . 0 0 "[ . 1 . 2]" 1
829 1 64 ASN HB2 1 67 VAL MG2 . . 4.430 4.409 4.190 4.482 0.052 17 0 "[ . 1 . 2]" 1
830 1 64 ASN HB3 1 65 ILE H . . 4.200 3.218 2.511 3.958 . 0 0 "[ . 1 . 2]" 1
831 1 65 ILE H 1 65 ILE HB . . 3.780 2.186 2.060 2.537 . 0 0 "[ . 1 . 2]" 1
832 1 65 ILE H 1 65 ILE MD . . 4.710 2.996 2.651 4.443 . 0 0 "[ . 1 . 2]" 1
833 1 65 ILE H 1 65 ILE HG12 . . 4.350 3.814 2.443 4.569 0.219 14 0 "[ . 1 . 2]" 1
834 1 65 ILE H 1 65 ILE HG13 . . 4.650 4.182 3.876 4.428 . 0 0 "[ . 1 . 2]" 1
835 1 65 ILE H 1 65 ILE MG . . 3.990 3.448 2.633 3.801 . 0 0 "[ . 1 . 2]" 1
836 1 65 ILE H 1 66 THR H . . 3.990 2.852 2.730 2.985 . 0 0 "[ . 1 . 2]" 1
837 1 65 ILE HA 1 65 ILE MD . . 3.420 2.238 2.010 3.045 . 0 0 "[ . 1 . 2]" 1
838 1 65 ILE HA 1 65 ILE HG13 . . 4.040 2.767 2.271 3.705 . 0 0 "[ . 1 . 2]" 1
839 1 65 ILE HA 1 68 THR H . . 4.900 3.702 3.546 3.857 . 0 0 "[ . 1 . 2]" 1
840 1 65 ILE HA 1 68 THR HB . . 3.680 2.811 2.373 3.240 . 0 0 "[ . 1 . 2]" 1
841 1 65 ILE HA 1 68 THR MG . . 5.000 3.990 3.624 4.384 . 0 0 "[ . 1 . 2]" 1
842 1 65 ILE HB 1 65 ILE MD . . 3.600 2.588 2.151 3.233 . 0 0 "[ . 1 . 2]" 1
843 1 65 ILE HB 1 66 THR H . . 4.230 3.123 2.500 3.946 . 0 0 "[ . 1 . 2]" 1
844 1 65 ILE MD 1 65 ILE MG . . 3.260 2.991 1.940 3.274 0.014 20 0 "[ . 1 . 2]" 1
845 1 65 ILE MD 1 68 THR HB . . 4.170 4.172 3.937 4.270 0.100 15 0 "[ . 1 . 2]" 1
846 1 65 ILE MD 1 68 THR MG . . 4.260 4.333 3.963 4.399 0.139 7 0 "[ . 1 . 2]" 1
847 1 65 ILE MD 1 69 GLU QG . . 5.500 4.788 3.325 5.519 0.019 10 0 "[ . 1 . 2]" 1
848 1 65 ILE HG13 1 65 ILE MG . . 3.590 2.404 2.181 2.703 . 0 0 "[ . 1 . 2]" 1
849 1 65 ILE MG 1 66 THR HA . . 4.450 2.979 2.771 3.264 . 0 0 "[ . 1 . 2]" 1
850 1 65 ILE MG 1 66 THR HB . . 5.310 4.168 3.953 4.561 . 0 0 "[ . 1 . 2]" 1
851 1 65 ILE MG 1 69 GLU QG . . 5.190 3.051 2.167 4.742 . 0 0 "[ . 1 . 2]" 1
852 1 66 THR H 1 66 THR HB . . 3.860 2.566 2.367 2.793 . 0 0 "[ . 1 . 2]" 1
853 1 66 THR H 1 66 THR HG1 . . 3.840 2.005 1.748 2.141 . 0 0 "[ . 1 . 2]" 1
854 1 66 THR H 1 66 THR MG . . 4.090 3.737 3.588 3.817 . 0 0 "[ . 1 . 2]" 1
855 1 66 THR H 1 67 VAL H . . 4.470 2.781 2.640 2.989 . 0 0 "[ . 1 . 2]" 1
856 1 66 THR H 1 67 VAL MG2 . . 4.990 3.973 3.817 4.105 . 0 0 "[ . 1 . 2]" 1
857 1 66 THR H 1 92 ILE MD . . 4.310 4.389 4.233 4.414 0.104 6 0 "[ . 1 . 2]" 1
858 1 66 THR HA 1 66 THR MG . . 3.340 2.379 2.199 2.518 . 0 0 "[ . 1 . 2]" 1
859 1 66 THR HA 1 69 GLU H . . 4.580 3.172 2.999 3.330 . 0 0 "[ . 1 . 2]" 1
860 1 66 THR HA 1 69 GLU HB2 . . 5.500 2.454 2.112 2.929 . 0 0 "[ . 1 . 2]" 1
861 1 66 THR HA 1 69 GLU HB3 . . 4.620 4.049 3.563 4.658 0.038 1 0 "[ . 1 . 2]" 1
862 1 66 THR HA 1 70 TYR H . . 5.500 4.005 3.608 4.352 . 0 0 "[ . 1 . 2]" 1
863 1 66 THR HA 1 70 TYR QD . . 4.530 4.228 3.735 4.616 0.086 8 0 "[ . 1 . 2]" 1
864 1 66 THR HB 1 67 VAL H . . 4.300 2.907 2.730 3.154 . 0 0 "[ . 1 . 2]" 1
865 1 66 THR HB 1 67 VAL MG1 . . 4.740 3.574 3.274 3.942 . 0 0 "[ . 1 . 2]" 1
866 1 66 THR HB 1 92 ILE MD . . 4.760 2.312 2.087 2.501 . 0 0 "[ . 1 . 2]" 1
867 1 66 THR HB 1 92 ILE MG . . 3.130 2.058 1.952 2.194 . 0 0 "[ . 1 . 2]" 1
868 1 66 THR MG 1 70 TYR H . . 4.410 4.172 3.765 4.496 0.086 15 0 "[ . 1 . 2]" 1
869 1 66 THR MG 1 70 TYR QD . . 3.370 2.974 2.339 3.380 0.010 6 0 "[ . 1 . 2]" 1
870 1 66 THR MG 1 70 TYR QE . . 3.190 2.547 2.086 2.989 . 0 0 "[ . 1 . 2]" 1
871 1 66 THR MG 1 92 ILE MD . . 3.230 2.146 1.923 2.514 . 0 0 "[ . 1 . 2]" 1
872 1 67 VAL H 1 67 VAL HB . . 3.660 3.639 3.596 3.678 0.018 12 0 "[ . 1 . 2]" 1
873 1 67 VAL H 1 67 VAL MG1 . . 3.500 2.227 2.045 2.314 . 0 0 "[ . 1 . 2]" 1
874 1 67 VAL H 1 67 VAL MG2 . . 4.000 2.056 1.961 2.125 . 0 0 "[ . 1 . 2]" 1
875 1 67 VAL H 1 68 THR H . . 4.150 2.657 2.579 2.747 . 0 0 "[ . 1 . 2]" 1
876 1 67 VAL HA 1 67 VAL MG1 . . 3.390 2.316 2.241 2.443 . 0 0 "[ . 1 . 2]" 1
877 1 67 VAL HA 1 67 VAL MG2 . . 3.480 3.253 3.236 3.269 . 0 0 "[ . 1 . 2]" 1
878 1 67 VAL HA 1 70 TYR H . . 4.570 3.378 3.158 3.544 . 0 0 "[ . 1 . 2]" 1
879 1 67 VAL HA 1 70 TYR HB2 . . 4.730 2.483 2.190 2.967 . 0 0 "[ . 1 . 2]" 1
880 1 67 VAL HA 1 70 TYR HB3 . . 4.900 4.023 3.717 4.602 . 0 0 "[ . 1 . 2]" 1
881 1 67 VAL HA 1 70 TYR QD . . 4.830 3.952 3.300 4.265 . 0 0 "[ . 1 . 2]" 1
882 1 67 VAL HA 1 72 ILE HB . . 4.120 3.426 2.533 4.104 . 0 0 "[ . 1 . 2]" 1
883 1 67 VAL HA 1 72 ILE MD . . 4.010 2.533 2.024 3.257 . 0 0 "[ . 1 . 2]" 1
884 1 67 VAL HA 1 72 ILE HG13 . . 4.680 3.153 2.483 4.492 . 0 0 "[ . 1 . 2]" 1
885 1 67 VAL HA 1 92 ILE MD . . 4.360 3.113 2.784 3.483 . 0 0 "[ . 1 . 2]" 1
886 1 67 VAL HB 1 68 THR H . . 4.040 3.913 3.774 4.086 0.046 11 0 "[ . 1 . 2]" 1
887 1 67 VAL HB 1 68 THR HA . . 5.340 4.692 4.443 4.852 . 0 0 "[ . 1 . 2]" 1
888 1 67 VAL HB 1 72 ILE HB . . 3.770 2.740 2.288 3.056 . 0 0 "[ . 1 . 2]" 1
889 1 67 VAL HB 1 72 ILE MD . . 4.690 3.400 2.390 4.093 . 0 0 "[ . 1 . 2]" 1
890 1 67 VAL HB 1 72 ILE MG . . 4.330 4.106 3.148 4.423 0.093 3 0 "[ . 1 . 2]" 1
891 1 67 VAL HB 1 92 ILE MD . . 4.690 4.263 4.057 4.655 . 0 0 "[ . 1 . 2]" 1
892 1 67 VAL MG1 1 68 THR H . . 3.950 4.050 4.031 4.064 0.114 6 0 "[ . 1 . 2]" 1
893 1 67 VAL MG1 1 72 ILE HB . . 4.010 3.265 2.533 4.037 0.027 20 0 "[ . 1 . 2]" 1
894 1 67 VAL MG1 1 72 ILE MD . . 3.920 2.482 2.082 3.249 . 0 0 "[ . 1 . 2]" 1
895 1 67 VAL MG1 1 89 LYS HA . . 4.700 3.232 2.686 3.738 . 0 0 "[ . 1 . 2]" 1
896 1 67 VAL MG1 1 89 LYS QD . . 4.270 2.910 2.146 3.718 . 0 0 "[ . 1 . 2]" 1
897 1 67 VAL MG1 1 92 ILE MD . . 3.270 2.076 1.973 2.299 . 0 0 "[ . 1 . 2]" 1
898 1 67 VAL MG1 1 92 ILE MG . . 3.240 2.946 2.521 3.318 0.078 19 0 "[ . 1 . 2]" 1
899 1 67 VAL MG2 1 68 THR H . . 4.330 2.439 2.261 2.646 . 0 0 "[ . 1 . 2]" 1
900 1 67 VAL MG2 1 68 THR HA . . 4.570 3.654 3.481 3.894 . 0 0 "[ . 1 . 2]" 1
901 1 67 VAL MG2 1 89 LYS QD . . 4.230 3.689 3.085 4.323 0.093 6 0 "[ . 1 . 2]" 1
902 1 67 VAL MG2 1 89 LYS QG . . 4.470 4.187 3.463 4.578 0.108 1 0 "[ . 1 . 2]" 1
903 1 68 THR H 1 68 THR HB . . 3.850 2.463 2.189 2.650 . 0 0 "[ . 1 . 2]" 1
904 1 68 THR H 1 68 THR MG . . 3.960 3.774 3.658 3.850 . 0 0 "[ . 1 . 2]" 1
905 1 68 THR H 1 69 GLU H . . 3.920 2.650 2.391 2.869 . 0 0 "[ . 1 . 2]" 1
906 1 68 THR H 1 70 TYR H . . 4.730 3.902 3.684 4.080 . 0 0 "[ . 1 . 2]" 1
907 1 68 THR H 1 70 TYR HB2 . . 5.000 4.959 4.774 5.076 0.076 15 0 "[ . 1 . 2]" 1
908 1 68 THR HA 1 68 THR MG . . 3.060 2.473 2.324 2.704 . 0 0 "[ . 1 . 2]" 1
909 1 68 THR HA 1 71 LYS H . . 3.970 3.434 2.948 3.703 . 0 0 "[ . 1 . 2]" 1
910 1 68 THR HB 1 69 GLU H . . 4.050 2.602 2.333 2.856 . 0 0 "[ . 1 . 2]" 1
911 1 68 THR MG 1 69 GLU H . . 3.790 3.370 2.777 3.661 . 0 0 "[ . 1 . 2]" 1
912 1 68 THR MG 1 69 GLU HA . . 3.660 3.576 3.089 3.760 0.100 18 0 "[ . 1 . 2]" 1
913 1 68 THR MG 1 71 LYS H . . 4.460 4.505 4.359 4.558 0.098 8 0 "[ . 1 . 2]" 1
914 1 68 THR MG 1 71 LYS QD . . 5.310 4.381 3.475 5.308 . 0 0 "[ . 1 . 2]" 1
915 1 68 THR MG 1 71 LYS QG . . 4.530 4.333 3.648 4.650 0.120 7 0 "[ . 1 . 2]" 1
916 1 69 GLU H 1 69 GLU HB3 . . 4.190 3.512 3.361 3.605 . 0 0 "[ . 1 . 2]" 1
917 1 69 GLU H 1 69 GLU QG . . 4.020 2.640 2.137 3.764 . 0 0 "[ . 1 . 2]" 1
918 1 69 GLU H 1 70 TYR H . . 4.110 2.683 2.586 2.814 . 0 0 "[ . 1 . 2]" 1
919 1 69 GLU H 1 70 TYR HB2 . . 4.650 4.689 4.569 4.725 0.075 15 0 "[ . 1 . 2]" 1
920 1 69 GLU H 1 71 LYS H . . 5.230 4.007 3.751 4.189 . 0 0 "[ . 1 . 2]" 1
921 1 69 GLU HB2 1 70 TYR H . . 4.480 3.061 2.688 3.448 . 0 0 "[ . 1 . 2]" 1
922 1 69 GLU HB3 1 70 TYR H . . 4.400 3.697 3.138 4.199 . 0 0 "[ . 1 . 2]" 1
923 1 70 TYR H 1 70 TYR HB3 . . 3.920 3.539 3.467 3.652 . 0 0 "[ . 1 . 2]" 1
924 1 70 TYR H 1 70 TYR QD . . 4.370 3.017 2.651 3.734 . 0 0 "[ . 1 . 2]" 1
925 1 70 TYR H 1 71 LYS H . . 3.790 2.467 2.201 2.726 . 0 0 "[ . 1 . 2]" 1
926 1 70 TYR H 1 71 LYS HA . . 4.660 4.557 4.278 4.727 0.067 6 0 "[ . 1 . 2]" 1
927 1 70 TYR HA 1 70 TYR QD . . 2.870 2.484 2.098 2.803 . 0 0 "[ . 1 . 2]" 1
928 1 70 TYR HA 1 70 TYR QE . . 4.550 4.565 4.378 4.645 0.095 3 0 "[ . 1 . 2]" 1
929 1 70 TYR HB2 1 72 ILE MD . . 4.070 2.364 2.109 2.863 . 0 0 "[ . 1 . 2]" 1
930 1 70 TYR HB2 1 72 ILE HG12 . . 5.140 3.752 3.056 4.622 . 0 0 "[ . 1 . 2]" 1
931 1 70 TYR HB2 1 72 ILE HG13 . . 5.250 2.531 2.184 3.555 . 0 0 "[ . 1 . 2]" 1
932 1 70 TYR HB3 1 71 LYS H . . 5.500 4.086 3.902 4.378 . 0 0 "[ . 1 . 2]" 1
933 1 70 TYR HB3 1 72 ILE MD . . 3.870 2.343 2.168 2.762 . 0 0 "[ . 1 . 2]" 1
934 1 70 TYR HB3 1 72 ILE HG12 . . 5.230 3.092 2.249 3.877 . 0 0 "[ . 1 . 2]" 1
935 1 70 TYR HB3 1 72 ILE HG13 . . 5.020 2.602 2.237 3.072 . 0 0 "[ . 1 . 2]" 1
936 1 70 TYR QD 1 71 LYS H . . 5.500 4.727 4.596 4.911 . 0 0 "[ . 1 . 2]" 1
937 1 70 TYR QD 1 72 ILE MD . . 3.610 2.261 1.953 2.815 . 0 0 "[ . 1 . 2]" 1
938 1 70 TYR QD 1 88 MET ME . . 4.240 2.848 2.122 4.090 . 0 0 "[ . 1 . 2]" 1
939 1 70 TYR QD 1 92 ILE MD . . 3.950 2.823 2.373 3.242 . 0 0 "[ . 1 . 2]" 1
940 1 70 TYR QE 1 72 ILE MD . . 4.610 4.067 3.486 4.692 0.082 15 0 "[ . 1 . 2]" 1
941 1 70 TYR QE 1 88 MET ME . . 4.020 2.603 2.020 4.134 0.114 11 0 "[ . 1 . 2]" 1
942 1 70 TYR QE 1 92 ILE MD . . 4.200 2.999 2.429 3.680 . 0 0 "[ . 1 . 2]" 1
943 1 70 TYR QE 1 92 ILE HG12 . . 4.050 3.897 2.981 4.136 0.086 3 0 "[ . 1 . 2]" 1
944 1 71 LYS H 1 71 LYS HB2 . . 4.180 3.456 3.198 3.704 . 0 0 "[ . 1 . 2]" 1
945 1 71 LYS H 1 71 LYS QD . . 3.980 3.159 2.360 4.030 0.050 8 0 "[ . 1 . 2]" 1
946 1 71 LYS H 1 71 LYS QG . . 3.850 2.805 2.409 3.458 . 0 0 "[ . 1 . 2]" 1
947 1 71 LYS H 1 72 ILE H . . 3.840 3.133 2.869 3.447 . 0 0 "[ . 1 . 2]" 1
948 1 71 LYS HA 1 71 LYS QD . . 4.600 3.030 2.095 4.118 . 0 0 "[ . 1 . 2]" 1
949 1 71 LYS HA 1 71 LYS QE . . 4.830 4.291 3.308 4.929 0.099 19 0 "[ . 1 . 2]" 1
950 1 71 LYS HA 1 71 LYS QG . . 3.640 2.459 2.180 2.899 . 0 0 "[ . 1 . 2]" 1
951 1 71 LYS HB2 1 71 LYS QD . . 3.710 2.842 2.205 3.626 . 0 0 "[ . 1 . 2]" 1
952 1 71 LYS HB2 1 71 LYS QE . . 4.580 3.416 2.149 4.421 . 0 0 "[ . 1 . 2]" 1
953 1 71 LYS HB2 1 72 ILE H . . 4.590 4.556 4.320 4.624 0.034 5 0 "[ . 1 . 2]" 1
954 1 71 LYS QE 1 71 LYS QG . . 3.400 2.205 2.055 2.431 . 0 0 "[ . 1 . 2]" 1
955 1 72 ILE H 1 72 ILE HB . . 3.920 2.816 2.338 3.193 . 0 0 "[ . 1 . 2]" 1
956 1 72 ILE H 1 72 ILE HG12 . . 4.020 3.689 2.899 4.092 0.072 9 0 "[ . 1 . 2]" 1
957 1 72 ILE H 1 72 ILE HG13 . . 3.890 2.604 2.051 2.883 . 0 0 "[ . 1 . 2]" 1
958 1 72 ILE H 1 72 ILE MG . . 3.950 3.919 3.743 4.009 0.059 10 0 "[ . 1 . 2]" 1
959 1 72 ILE H 1 73 ASP H . . 4.170 3.987 3.444 4.246 0.076 8 0 "[ . 1 . 2]" 1
960 1 72 ILE HA 1 72 ILE MD . . 4.600 3.959 3.814 4.086 . 0 0 "[ . 1 . 2]" 1
961 1 72 ILE HA 1 72 ILE HG12 . . 3.350 2.873 2.581 3.374 0.024 3 0 "[ . 1 . 2]" 1
962 1 72 ILE HA 1 72 ILE MG . . 3.200 2.316 2.160 2.555 . 0 0 "[ . 1 . 2]" 1
963 1 72 ILE HA 1 77 ASN HB2 . . 5.500 3.950 2.600 5.389 . 0 0 "[ . 1 . 2]" 1
964 1 72 ILE HA 1 80 VAL MG1 . . 3.740 3.167 2.462 3.809 0.069 16 0 "[ . 1 . 2]" 1
965 1 72 ILE HA 1 80 VAL MG2 . . 4.090 3.811 3.142 4.185 0.095 10 0 "[ . 1 . 2]" 1
966 1 72 ILE HB 1 72 ILE MD . . 3.550 2.341 2.093 2.464 . 0 0 "[ . 1 . 2]" 1
967 1 72 ILE HB 1 73 ASP H . . 4.500 3.774 1.913 4.561 0.061 16 0 "[ . 1 . 2]" 1
968 1 72 ILE MD 1 72 ILE MG . . 2.990 2.098 2.005 2.740 . 0 0 "[ . 1 . 2]" 1
969 1 72 ILE MD 1 88 MET HA . . 4.980 4.145 3.838 4.427 . 0 0 "[ . 1 . 2]" 1
970 1 72 ILE MD 1 88 MET HB2 . . 4.040 2.438 2.058 2.930 . 0 0 "[ . 1 . 2]" 1
971 1 72 ILE MD 1 88 MET HB3 . . 4.130 2.206 1.965 2.470 . 0 0 "[ . 1 . 2]" 1
972 1 72 ILE MD 1 88 MET ME . . 3.560 2.959 2.472 3.417 . 0 0 "[ . 1 . 2]" 1
973 1 72 ILE MD 1 88 MET HG2 . . 3.940 3.500 3.036 4.060 0.120 16 0 "[ . 1 . 2]" 1
974 1 72 ILE MD 1 88 MET HG3 . . 4.020 2.318 2.061 2.965 . 0 0 "[ . 1 . 2]" 1
975 1 72 ILE MG 1 73 ASP HA . . 4.490 3.492 3.065 3.817 . 0 0 "[ . 1 . 2]" 1
976 1 72 ILE MG 1 88 MET HB2 . . 3.650 2.629 2.144 3.374 . 0 0 "[ . 1 . 2]" 1
977 1 72 ILE MG 1 88 MET HB3 . . 3.760 3.611 3.088 3.862 0.102 20 0 "[ . 1 . 2]" 1
978 1 72 ILE MG 1 88 MET HG2 . . 4.820 3.840 3.319 4.332 . 0 0 "[ . 1 . 2]" 1
979 1 72 ILE MG 1 88 MET HG3 . . 4.270 3.214 2.419 3.944 . 0 0 "[ . 1 . 2]" 1
980 1 73 ASP H 1 74 PRO HD3 . . 4.600 4.135 3.589 4.515 . 0 0 "[ . 1 . 2]" 1
981 1 73 ASP H 1 77 ASN HB2 . . 4.690 3.404 2.485 4.465 . 0 0 "[ . 1 . 2]" 1
982 1 73 ASP H 1 80 VAL MG1 . . 3.720 2.970 2.206 3.786 0.066 6 0 "[ . 1 . 2]" 1
983 1 73 ASP H 1 80 VAL MG2 . . 3.620 3.236 2.054 3.720 0.100 17 0 "[ . 1 . 2]" 1
984 1 73 ASP HA 1 74 PRO HD2 . . 3.340 2.347 2.061 2.911 . 0 0 "[ . 1 . 2]" 1
985 1 73 ASP HA 1 74 PRO HD3 . . 3.340 2.468 2.146 2.788 . 0 0 "[ . 1 . 2]" 1
986 1 73 ASP HA 1 76 GLU HB3 . . 5.140 5.074 4.691 5.225 0.085 11 0 "[ . 1 . 2]" 1
987 1 73 ASP HA 1 80 VAL MG1 . . 5.130 4.199 3.566 4.897 . 0 0 "[ . 1 . 2]" 1
988 1 73 ASP HA 1 80 VAL MG2 . . 4.260 3.446 2.732 4.318 0.058 17 0 "[ . 1 . 2]" 1
989 1 73 ASP HA 1 85 VAL MG1 . . 4.170 3.785 2.821 4.269 0.099 18 0 "[ . 1 . 2]" 1
990 1 73 ASP QB 1 74 PRO HD2 . . 4.170 3.596 2.535 4.012 . 0 0 "[ . 1 . 2]" 1
991 1 73 ASP QB 1 74 PRO HD3 . . 5.470 4.336 3.690 4.701 . 0 0 "[ . 1 . 2]" 1
992 1 73 ASP QB 1 75 ASN H . . 4.580 3.093 2.165 3.999 . 0 0 "[ . 1 . 2]" 1
993 1 73 ASP QB 1 76 GLU H . . 5.030 2.755 2.032 3.441 . 0 0 "[ . 1 . 2]" 1
994 1 73 ASP QB 1 76 GLU HB3 . . 4.580 2.482 2.017 3.859 . 0 0 "[ . 1 . 2]" 1
995 1 73 ASP QB 1 77 ASN HB2 . . 4.900 4.442 3.842 4.983 0.083 11 0 "[ . 1 . 2]" 1
996 1 74 PRO HA 1 77 ASN H . . 4.090 3.648 3.113 4.164 0.074 7 0 "[ . 1 . 2]" 1
997 1 74 PRO HA 1 77 ASN HB2 . . 5.500 4.230 3.122 5.318 . 0 0 "[ . 1 . 2]" 1
998 1 74 PRO HA 1 80 VAL MG1 . . 4.210 2.311 1.935 2.643 . 0 0 "[ . 1 . 2]" 1
999 1 74 PRO HA 1 80 VAL MG2 . . 4.250 2.764 2.210 3.511 . 0 0 "[ . 1 . 2]" 1
1000 1 74 PRO HB2 1 75 ASN H . . 4.140 3.883 3.061 4.223 0.083 7 0 "[ . 1 . 2]" 1
1001 1 74 PRO HB3 1 80 VAL MG1 . . 3.470 3.436 2.503 3.585 0.115 7 0 "[ . 1 . 2]" 1
1002 1 74 PRO HD2 1 75 ASN H . . 4.560 2.905 2.423 3.339 . 0 0 "[ . 1 . 2]" 1
1003 1 74 PRO HD2 1 80 VAL MG1 . . 5.420 4.855 4.456 5.301 . 0 0 "[ . 1 . 2]" 1
1004 1 74 PRO HD2 1 85 VAL MG1 . . 3.760 3.285 2.435 3.718 . 0 0 "[ . 1 . 2]" 1
1005 1 74 PRO HD3 1 75 ASN H . . 4.030 4.020 3.769 4.106 0.076 7 0 "[ . 1 . 2]" 1
1006 1 74 PRO HD3 1 80 VAL MG1 . . 5.300 3.903 3.346 4.407 . 0 0 "[ . 1 . 2]" 1
1007 1 74 PRO HD3 1 80 VAL MG2 . . 4.350 2.361 1.969 2.919 . 0 0 "[ . 1 . 2]" 1
1008 1 74 PRO HD3 1 85 VAL MG1 . . 3.470 2.406 1.993 2.989 . 0 0 "[ . 1 . 2]" 1
1009 1 74 PRO HG2 1 75 ASN H . . 3.940 3.169 2.430 4.017 0.077 7 0 "[ . 1 . 2]" 1
1010 1 74 PRO HG2 1 80 VAL MG2 . . 4.680 4.159 3.536 4.529 . 0 0 "[ . 1 . 2]" 1
1011 1 74 PRO HG3 1 80 VAL MG2 . . 3.440 3.248 2.113 3.542 0.102 17 0 "[ . 1 . 2]" 1
1012 1 74 PRO HG3 1 85 VAL MG1 . . 3.670 2.618 2.108 3.263 . 0 0 "[ . 1 . 2]" 1
1013 1 75 ASN H 1 75 ASN QB . . 3.290 2.380 2.044 2.855 . 0 0 "[ . 1 . 2]" 1
1014 1 75 ASN H 1 76 GLU H . . 3.360 2.353 2.008 2.785 . 0 0 "[ . 1 . 2]" 1
1015 1 75 ASN H 1 76 GLU HB2 . . 4.550 4.483 4.055 4.633 0.083 18 0 "[ . 1 . 2]" 1
1016 1 75 ASN H 1 77 ASN H . . 3.990 3.830 2.980 4.063 0.073 13 0 "[ . 1 . 2]" 1
1017 1 75 ASN HA 1 77 ASN H . . 4.860 4.829 4.332 4.949 0.089 8 0 "[ . 1 . 2]" 1
1018 1 75 ASN HA 1 78 GLN H . . 4.470 4.383 3.912 4.549 0.079 3 0 "[ . 1 . 2]" 1
1019 1 75 ASN QB 1 76 GLU H . . 4.210 3.059 2.386 3.844 . 0 0 "[ . 1 . 2]" 1
1020 1 76 GLU H 1 76 GLU HB3 . . 3.930 2.624 2.292 2.859 . 0 0 "[ . 1 . 2]" 1
1021 1 76 GLU H 1 76 GLU QG . . 4.070 4.027 3.882 4.157 0.087 20 0 "[ . 1 . 2]" 1
1022 1 76 GLU H 1 77 ASN H . . 3.260 2.278 1.835 2.763 . 0 0 "[ . 1 . 2]" 1
1023 1 76 GLU HA 1 76 GLU QG . . 3.410 2.456 2.188 3.092 . 0 0 "[ . 1 . 2]" 1
1024 1 76 GLU HB2 1 76 GLU QG . . 2.700 2.383 2.116 2.544 . 0 0 "[ . 1 . 2]" 1
1025 1 76 GLU HB2 1 77 ASN H . . 4.150 3.816 3.510 4.192 0.042 15 0 "[ . 1 . 2]" 1
1026 1 76 GLU HB3 1 77 ASN H . . 4.290 2.621 2.160 3.493 . 0 0 "[ . 1 . 2]" 1
1027 1 76 GLU QG 1 77 ASN H . . 4.600 3.859 3.109 4.457 . 0 0 "[ . 1 . 2]" 1
1028 1 77 ASN H 1 78 GLN H . . 4.600 2.530 1.963 2.950 . 0 0 "[ . 1 . 2]" 1
1029 1 77 ASN H 1 80 VAL MG1 . . 4.450 3.664 3.410 3.947 . 0 0 "[ . 1 . 2]" 1
1030 1 77 ASN HB2 1 78 GLN H . . 4.100 3.620 2.547 3.953 . 0 0 "[ . 1 . 2]" 1
1031 1 77 ASN HB2 1 79 ASN H . . 4.770 4.426 2.700 4.856 0.086 10 0 "[ . 1 . 2]" 1
1032 1 77 ASN HB2 1 80 VAL HB . . 5.410 5.287 4.610 5.492 0.082 13 0 "[ . 1 . 2]" 1
1033 1 77 ASN HB2 1 80 VAL MG1 . . 3.890 2.640 1.961 2.901 . 0 0 "[ . 1 . 2]" 1
1034 1 77 ASN HB2 1 80 VAL MG2 . . 4.500 4.442 4.072 4.603 0.103 4 0 "[ . 1 . 2]" 1
1035 1 77 ASN HB3 1 78 GLN H . . 3.730 2.902 2.092 3.793 0.063 12 0 "[ . 1 . 2]" 1
1036 1 77 ASN HB3 1 79 ASN H . . 3.420 2.946 2.323 3.478 0.058 15 0 "[ . 1 . 2]" 1
1037 1 77 ASN HB3 1 80 VAL HB . . 5.230 4.732 4.365 5.297 0.067 12 0 "[ . 1 . 2]" 1
1038 1 77 ASN HB3 1 80 VAL MG1 . . 4.340 2.114 1.936 2.691 . 0 0 "[ . 1 . 2]" 1
1039 1 77 ASN HB3 1 80 VAL MG2 . . 4.980 4.248 3.751 5.055 0.075 1 0 "[ . 1 . 2]" 1
1040 1 77 ASN HD21 1 80 VAL MG1 . . 4.300 2.886 1.830 4.099 . 0 0 "[ . 1 . 2]" 1
1041 1 77 ASN HD22 1 80 VAL MG1 . . 5.080 3.771 3.058 5.116 0.036 12 0 "[ . 1 . 2]" 1
1042 1 78 GLN H 1 78 GLN HB2 . . 4.020 3.385 2.875 3.866 . 0 0 "[ . 1 . 2]" 1
1043 1 78 GLN H 1 78 GLN HB3 . . 3.590 3.703 2.827 4.060 0.470 1 0 "[ . 1 . 2]" 1
1044 1 78 GLN H 1 78 GLN QG . . 3.980 3.384 2.215 4.088 0.108 6 0 "[ . 1 . 2]" 1
1045 1 78 GLN H 1 79 ASN H . . 3.730 2.906 2.172 3.510 . 0 0 "[ . 1 . 2]" 1
1046 1 78 GLN H 1 80 VAL H . . 4.720 4.219 3.500 4.806 0.086 20 0 "[ . 1 . 2]" 1
1047 1 78 GLN H 1 80 VAL MG1 . . 4.570 3.456 2.833 4.092 . 0 0 "[ . 1 . 2]" 1
1048 1 78 GLN HB2 1 78 GLN QG . . 2.720 2.366 2.107 2.553 . 0 0 "[ . 1 . 2]" 1
1049 1 78 GLN HB2 1 79 ASN H . . 4.740 3.822 2.580 4.661 . 0 0 "[ . 1 . 2]" 1
1050 1 78 GLN HB3 1 78 GLN QG . . 2.700 2.349 2.125 2.517 . 0 0 "[ . 1 . 2]" 1
1051 1 78 GLN HB3 1 79 ASN H . . 4.540 3.631 2.000 4.615 0.075 11 0 "[ . 1 . 2]" 1
1052 1 79 ASN H 1 80 VAL H . . 3.430 2.377 1.866 3.491 0.061 20 0 "[ . 1 . 2]" 1
1053 1 79 ASN H 1 80 VAL HB . . 5.090 5.099 4.747 5.184 0.094 20 0 "[ . 1 . 2]" 1
1054 1 79 ASN H 1 80 VAL MG1 . . 4.120 2.700 2.102 3.000 . 0 0 "[ . 1 . 2]" 1
1055 1 79 ASN H 1 80 VAL MG2 . . 5.020 4.513 3.693 5.034 0.014 13 0 "[ . 1 . 2]" 1
1056 1 79 ASN HB2 1 80 VAL H . . 4.440 4.128 3.457 4.525 0.085 9 0 "[ . 1 . 2]" 1
1057 1 79 ASN HB3 1 80 VAL H . . 4.340 3.769 2.140 4.500 0.160 4 0 "[ . 1 . 2]" 1
1058 1 80 VAL H 1 80 VAL HB . . 3.610 3.559 3.233 3.708 0.098 20 0 "[ . 1 . 2]" 1
1059 1 80 VAL H 1 80 VAL MG1 . . 3.680 2.030 1.783 2.573 . 0 0 "[ . 1 . 2]" 1
1060 1 80 VAL H 1 80 VAL MG2 . . 3.830 2.921 2.289 3.740 . 0 0 "[ . 1 . 2]" 1
1061 1 80 VAL H 1 81 THR H . . 4.480 4.532 4.299 4.565 0.085 10 0 "[ . 1 . 2]" 1
1062 1 80 VAL HA 1 80 VAL MG1 . . 3.360 2.716 2.446 3.047 . 0 0 "[ . 1 . 2]" 1
1063 1 80 VAL HA 1 80 VAL MG2 . . 3.300 3.169 2.991 3.277 . 0 0 "[ . 1 . 2]" 1
1064 1 80 VAL HA 1 81 THR H . . 3.500 2.417 2.147 2.912 . 0 0 "[ . 1 . 2]" 1
1065 1 80 VAL HA 1 81 THR MG . . 4.050 3.739 3.092 4.104 0.054 8 0 "[ . 1 . 2]" 1
1066 1 80 VAL HA 1 84 GLU QB . . 4.820 4.578 4.134 4.898 0.078 5 0 "[ . 1 . 2]" 1
1067 1 80 VAL HB 1 81 THR H . . 4.410 2.825 2.192 3.357 . 0 0 "[ . 1 . 2]" 1
1068 1 80 VAL HB 1 81 THR HA . . 5.500 5.267 4.860 5.579 0.079 1 0 "[ . 1 . 2]" 1
1069 1 80 VAL HB 1 81 THR MG . . 4.920 4.102 3.666 4.492 . 0 0 "[ . 1 . 2]" 1
1070 1 80 VAL MG1 1 81 THR H . . 5.500 4.106 3.774 4.419 . 0 0 "[ . 1 . 2]" 1
1071 1 80 VAL MG1 1 81 THR HA . . 5.500 5.573 5.299 5.617 0.117 20 0 "[ . 1 . 2]" 1
1072 1 80 VAL MG2 1 81 THR H . . 3.880 2.752 2.263 3.255 . 0 0 "[ . 1 . 2]" 1
1073 1 80 VAL MG2 1 81 THR HA . . 4.260 3.915 3.505 4.155 . 0 0 "[ . 1 . 2]" 1
1074 1 80 VAL MG2 1 81 THR MG . . 4.140 3.810 3.175 4.235 0.095 5 0 "[ . 1 . 2]" 1
1075 1 80 VAL MG2 1 84 GLU QB . . 4.180 3.029 2.300 4.150 . 0 0 "[ . 1 . 2]" 1
1076 1 81 THR H 1 81 THR MG . . 3.820 2.035 1.799 2.580 . 0 0 "[ . 1 . 2]" 1
1077 1 81 THR H 1 82 GLN H . . 4.730 4.567 4.238 4.708 . 0 0 "[ . 1 . 2]" 1
1078 1 81 THR H 1 84 GLU QB . . 4.540 3.004 2.545 3.905 . 0 0 "[ . 1 . 2]" 1
1079 1 81 THR HA 1 81 THR MG . . 3.130 3.226 3.210 3.239 0.109 19 0 "[ . 1 . 2]" 1
1080 1 81 THR HA 1 82 GLN H . . 3.150 2.314 2.145 2.395 . 0 0 "[ . 1 . 2]" 1
1081 1 81 THR HA 1 82 GLN HA . . 4.700 4.338 4.255 4.413 . 0 0 "[ . 1 . 2]" 1
1082 1 81 THR HA 1 83 VAL H . . 4.130 4.149 4.035 4.212 0.082 8 0 "[ . 1 . 2]" 1
1083 1 81 THR HB 1 82 GLN H . . 5.310 4.012 3.761 4.370 . 0 0 "[ . 1 . 2]" 1
1084 1 81 THR HB 1 83 VAL H . . 5.500 4.526 4.101 5.002 . 0 0 "[ . 1 . 2]" 1
1085 1 81 THR MG 1 82 GLN H . . 4.160 3.890 3.502 4.096 . 0 0 "[ . 1 . 2]" 1
1086 1 81 THR MG 1 83 VAL HB . . 4.340 4.246 3.918 4.420 0.080 3 0 "[ . 1 . 2]" 1
1087 1 81 THR MG 1 83 VAL QG . . 4.910 2.060 1.869 2.288 . 0 0 "[ . 1 . 2]" 1
1088 1 81 THR MG 1 84 GLU QB . . 4.690 2.242 1.902 3.121 . 0 0 "[ . 1 . 2]" 1
1089 1 81 THR MG 1 85 VAL MG1 . . 4.610 4.488 4.159 4.733 0.123 18 0 "[ . 1 . 2]" 1
1090 1 82 GLN H 1 82 GLN QB . . 3.440 2.312 1.925 2.603 . 0 0 "[ . 1 . 2]" 1
1091 1 82 GLN H 1 82 GLN QG . . 3.760 2.923 2.242 3.860 0.100 19 0 "[ . 1 . 2]" 1
1092 1 82 GLN H 1 83 VAL H . . 4.070 2.855 2.566 3.013 . 0 0 "[ . 1 . 2]" 1
1093 1 82 GLN H 1 85 VAL MG1 . . 4.500 4.096 3.743 4.529 0.029 15 0 "[ . 1 . 2]" 1
1094 1 82 GLN HA 1 82 GLN QG . . 3.890 2.546 2.165 3.536 . 0 0 "[ . 1 . 2]" 1
1095 1 82 GLN HA 1 85 VAL H . . 4.170 3.039 2.565 3.714 . 0 0 "[ . 1 . 2]" 1
1096 1 82 GLN HA 1 85 VAL HB . . 3.880 3.965 3.943 3.981 0.101 3 0 "[ . 1 . 2]" 1
1097 1 82 GLN HA 1 85 VAL MG1 . . 3.840 2.101 1.944 2.270 . 0 0 "[ . 1 . 2]" 1
1098 1 82 GLN QB 1 83 VAL H . . 3.800 3.244 2.919 3.764 . 0 0 "[ . 1 . 2]" 1
1099 1 83 VAL H 1 83 VAL HB . . 3.700 3.644 3.025 3.756 0.056 20 0 "[ . 1 . 2]" 1
1100 1 83 VAL H 1 83 VAL QG . . 3.860 1.944 1.812 2.063 . 0 0 "[ . 1 . 2]" 1
1101 1 83 VAL H 1 84 GLU H . . 4.460 2.613 2.347 2.763 . 0 0 "[ . 1 . 2]" 1
1102 1 83 VAL HA 1 83 VAL QG . . 3.300 2.261 2.176 2.392 . 0 0 "[ . 1 . 2]" 1
1103 1 83 VAL HA 1 85 VAL H . . 4.760 4.525 4.253 4.645 . 0 0 "[ . 1 . 2]" 1
1104 1 83 VAL HA 1 86 ARG H . . 4.510 3.685 3.297 4.078 . 0 0 "[ . 1 . 2]" 1
1105 1 83 VAL HA 1 86 ARG HB2 . . 4.480 3.749 2.573 4.532 0.052 9 0 "[ . 1 . 2]" 1
1106 1 83 VAL HA 1 86 ARG HB3 . . 4.090 3.111 2.683 4.142 0.052 19 0 "[ . 1 . 2]" 1
1107 1 83 VAL HA 1 86 ARG QD . . 4.350 4.179 3.562 4.435 0.085 4 0 "[ . 1 . 2]" 1
1108 1 83 VAL HB 1 84 GLU H . . 4.440 3.626 3.174 4.158 . 0 0 "[ . 1 . 2]" 1
1109 1 83 VAL QG 1 84 GLU H . . 4.620 2.215 1.942 2.548 . 0 0 "[ . 1 . 2]" 1
1110 1 83 VAL QG 1 84 GLU QB . . 4.040 3.171 2.885 3.797 . 0 0 "[ . 1 . 2]" 1
1111 1 84 GLU H 1 85 VAL H . . 4.390 2.777 2.621 3.114 . 0 0 "[ . 1 . 2]" 1
1112 1 84 GLU QB 1 85 VAL H . . 4.520 2.717 2.394 3.707 . 0 0 "[ . 1 . 2]" 1
1113 1 84 GLU QB 1 85 VAL HA . . 4.670 4.228 3.862 4.641 . 0 0 "[ . 1 . 2]" 1
1114 1 85 VAL H 1 85 VAL HB . . 3.580 3.122 2.201 3.659 0.079 10 0 "[ . 1 . 2]" 1
1115 1 85 VAL H 1 85 VAL MG1 . . 3.580 2.131 1.939 2.393 . 0 0 "[ . 1 . 2]" 1
1116 1 85 VAL H 1 86 ARG H . . 3.670 2.626 2.455 2.801 . 0 0 "[ . 1 . 2]" 1
1117 1 85 VAL H 1 86 ARG HB2 . . 4.600 4.668 4.626 4.684 0.084 12 0 "[ . 1 . 2]" 1
1118 1 85 VAL HA 1 85 VAL MG1 . . 3.250 2.798 2.384 3.275 0.025 12 0 "[ . 1 . 2]" 1
1119 1 85 VAL HA 1 88 MET H . . 5.500 3.986 3.275 4.372 . 0 0 "[ . 1 . 2]" 1
1120 1 85 VAL HA 1 88 MET HB2 . . 4.950 3.401 2.313 3.789 . 0 0 "[ . 1 . 2]" 1
1121 1 85 VAL HA 1 88 MET HB3 . . 5.390 5.094 3.986 5.463 0.073 9 0 "[ . 1 . 2]" 1
1122 1 85 VAL HA 1 89 LYS H . . 5.470 4.799 4.143 5.137 . 0 0 "[ . 1 . 2]" 1
1123 1 85 VAL HB 1 86 ARG H . . 3.820 3.897 3.865 3.916 0.096 14 0 "[ . 1 . 2]" 1
1124 1 86 ARG H 1 86 ARG HB2 . . 3.630 2.386 2.157 2.830 . 0 0 "[ . 1 . 2]" 1
1125 1 86 ARG H 1 86 ARG HB3 . . 3.550 2.671 2.314 3.419 . 0 0 "[ . 1 . 2]" 1
1126 1 86 ARG H 1 86 ARG QG . . 4.450 3.987 3.804 4.094 . 0 0 "[ . 1 . 2]" 1
1127 1 86 ARG H 1 87 VAL H . . 3.970 2.632 2.105 2.977 . 0 0 "[ . 1 . 2]" 1
1128 1 86 ARG H 1 87 VAL MG2 . . 4.500 4.317 3.793 4.555 0.055 19 0 "[ . 1 . 2]" 1
1129 1 86 ARG HA 1 86 ARG QD . . 4.300 3.762 2.349 4.157 . 0 0 "[ . 1 . 2]" 1
1130 1 86 ARG HA 1 86 ARG QG . . 3.750 2.313 2.119 2.552 . 0 0 "[ . 1 . 2]" 1
1131 1 86 ARG HA 1 89 LYS H . . 4.550 3.500 3.154 3.797 . 0 0 "[ . 1 . 2]" 1
1132 1 86 ARG HA 1 89 LYS HB2 . . 3.490 2.705 2.184 3.563 0.073 14 0 "[ . 1 . 2]" 1
1133 1 86 ARG HA 1 89 LYS HB3 . . 4.370 3.954 2.535 4.442 0.072 16 0 "[ . 1 . 2]" 1
1134 1 86 ARG HB2 1 86 ARG QD . . 3.530 2.317 2.092 2.827 . 0 0 "[ . 1 . 2]" 1
1135 1 86 ARG HB2 1 87 VAL H . . 4.250 3.658 2.703 3.955 . 0 0 "[ . 1 . 2]" 1
1136 1 86 ARG HB3 1 86 ARG QD . . 3.150 2.712 2.270 3.242 0.092 19 0 "[ . 1 . 2]" 1
1137 1 86 ARG HB3 1 86 ARG QG . . 2.510 2.255 2.076 2.415 . 0 0 "[ . 1 . 2]" 1
1138 1 86 ARG HB3 1 87 VAL H . . 3.700 2.528 2.284 2.756 . 0 0 "[ . 1 . 2]" 1
1139 1 86 ARG HB3 1 87 VAL HA . . 4.890 4.385 3.784 4.871 . 0 0 "[ . 1 . 2]" 1
1140 1 87 VAL H 1 87 VAL HB . . 3.760 2.396 2.306 2.596 . 0 0 "[ . 1 . 2]" 1
1141 1 87 VAL H 1 87 VAL MG1 . . 4.690 3.751 3.709 3.823 . 0 0 "[ . 1 . 2]" 1
1142 1 87 VAL H 1 87 VAL MG2 . . 3.610 2.242 2.035 2.395 . 0 0 "[ . 1 . 2]" 1
1143 1 87 VAL H 1 88 MET H . . 3.550 2.949 2.791 3.140 . 0 0 "[ . 1 . 2]" 1
1144 1 87 VAL H 1 89 LYS H . . 4.230 4.006 3.873 4.215 . 0 0 "[ . 1 . 2]" 1
1145 1 87 VAL HA 1 87 VAL MG1 . . 3.570 2.534 2.389 2.628 . 0 0 "[ . 1 . 2]" 1
1146 1 87 VAL HA 1 87 VAL MG2 . . 3.260 2.330 2.253 2.648 . 0 0 "[ . 1 . 2]" 1
1147 1 87 VAL HA 1 89 LYS H . . 5.500 3.809 3.607 3.985 . 0 0 "[ . 1 . 2]" 1
1148 1 87 VAL HA 1 90 GLN H . . 5.500 3.845 3.684 3.985 . 0 0 "[ . 1 . 2]" 1
1149 1 87 VAL HA 1 90 GLN HB2 . . 5.060 3.927 3.084 4.787 . 0 0 "[ . 1 . 2]" 1
1150 1 87 VAL HA 1 90 GLN HB3 . . 4.720 4.037 3.039 4.799 0.079 1 0 "[ . 1 . 2]" 1
1151 1 87 VAL HA 1 91 VAL QG . . 4.260 4.060 3.966 4.128 . 0 0 "[ . 1 . 2]" 1
1152 1 87 VAL HB 1 88 MET H . . 3.890 2.406 2.107 2.526 . 0 0 "[ . 1 . 2]" 1
1153 1 87 VAL MG1 1 88 MET H . . 4.550 2.998 2.868 3.193 . 0 0 "[ . 1 . 2]" 1
1154 1 87 VAL MG1 1 88 MET HA . . 3.970 3.172 2.934 3.458 . 0 0 "[ . 1 . 2]" 1
1155 1 87 VAL MG1 1 88 MET ME . . 4.070 3.489 2.190 3.923 . 0 0 "[ . 1 . 2]" 1
1156 1 87 VAL MG1 1 91 VAL QG . . 3.390 2.732 2.520 2.876 . 0 0 "[ . 1 . 2]" 1
1157 1 87 VAL MG2 1 88 MET H . . 4.390 3.911 3.621 4.019 . 0 0 "[ . 1 . 2]" 1
1158 1 88 MET H 1 88 MET HB3 . . 4.000 3.610 3.579 3.651 . 0 0 "[ . 1 . 2]" 1
1159 1 88 MET H 1 88 MET ME . . 4.320 4.110 3.477 4.393 0.073 9 0 "[ . 1 . 2]" 1
1160 1 88 MET H 1 88 MET HG2 . . 4.540 2.261 2.114 2.535 . 0 0 "[ . 1 . 2]" 1
1161 1 88 MET HA 1 88 MET ME . . 3.450 2.203 1.891 2.570 . 0 0 "[ . 1 . 2]" 1
1162 1 88 MET HA 1 88 MET HG2 . . 4.180 3.180 2.564 3.593 . 0 0 "[ . 1 . 2]" 1
1163 1 88 MET HA 1 91 VAL QG . . 4.540 2.002 1.931 2.122 . 0 0 "[ . 1 . 2]" 1
1164 1 88 MET HA 1 92 ILE MD . . 4.770 3.619 3.316 4.183 . 0 0 "[ . 1 . 2]" 1
1165 1 88 MET HB2 1 88 MET ME . . 3.400 3.500 3.484 3.528 0.128 10 0 "[ . 1 . 2]" 1
1166 1 88 MET HB2 1 92 ILE MD . . 3.780 3.870 3.847 3.886 0.106 9 0 "[ . 1 . 2]" 1
1167 1 88 MET HB3 1 88 MET ME . . 2.800 2.223 2.142 2.508 . 0 0 "[ . 1 . 2]" 1
1168 1 88 MET HB3 1 89 LYS H . . 4.440 4.373 4.021 4.496 0.056 17 0 "[ . 1 . 2]" 1
1169 1 88 MET HB3 1 92 ILE MD . . 4.020 2.646 2.489 2.921 . 0 0 "[ . 1 . 2]" 1
1170 1 88 MET HB3 1 92 ILE HG13 . . 5.320 3.509 3.280 3.872 . 0 0 "[ . 1 . 2]" 1
1171 1 88 MET ME 1 88 MET HG2 . . 3.430 3.161 2.225 3.443 0.013 16 0 "[ . 1 . 2]" 1
1172 1 88 MET ME 1 88 MET HG3 . . 3.480 2.736 2.450 3.400 . 0 0 "[ . 1 . 2]" 1
1173 1 88 MET ME 1 91 VAL QG . . 3.380 2.340 2.008 2.554 . 0 0 "[ . 1 . 2]" 1
1174 1 88 MET ME 1 92 ILE MD . . 3.410 2.625 2.137 3.252 . 0 0 "[ . 1 . 2]" 1
1175 1 88 MET ME 1 92 ILE HG13 . . 3.990 2.681 2.203 3.467 . 0 0 "[ . 1 . 2]" 1
1176 1 88 MET HG2 1 89 LYS H . . 5.370 4.840 4.581 5.028 . 0 0 "[ . 1 . 2]" 1
1177 1 89 LYS H 1 89 LYS HB2 . . 3.790 2.480 2.251 2.886 . 0 0 "[ . 1 . 2]" 1
1178 1 89 LYS H 1 89 LYS HB3 . . 3.660 3.492 2.676 3.732 0.072 10 0 "[ . 1 . 2]" 1
1179 1 89 LYS H 1 89 LYS QG . . 5.010 3.557 3.026 4.203 . 0 0 "[ . 1 . 2]" 1
1180 1 89 LYS H 1 90 GLN H . . 3.970 2.294 2.105 2.520 . 0 0 "[ . 1 . 2]" 1
1181 1 89 LYS H 1 90 GLN HB2 . . 4.730 4.358 4.033 4.795 0.065 5 0 "[ . 1 . 2]" 1
1182 1 89 LYS H 1 91 VAL H . . 3.860 3.516 3.352 3.656 . 0 0 "[ . 1 . 2]" 1
1183 1 89 LYS H 1 91 VAL HB . . 4.750 4.818 4.699 4.844 0.094 16 0 "[ . 1 . 2]" 1
1184 1 89 LYS H 1 91 VAL QG . . 4.420 3.839 3.708 3.974 . 0 0 "[ . 1 . 2]" 1
1185 1 89 LYS HA 1 89 LYS QD . . 3.800 3.172 2.317 3.900 0.100 13 0 "[ . 1 . 2]" 1
1186 1 89 LYS HA 1 89 LYS QG . . 3.680 2.384 2.072 2.761 . 0 0 "[ . 1 . 2]" 1
1187 1 89 LYS HA 1 91 VAL QG . . 4.320 4.367 4.235 4.385 0.065 1 0 "[ . 1 . 2]" 1
1188 1 89 LYS HA 1 92 ILE H . . 5.500 3.502 3.009 3.756 . 0 0 "[ . 1 . 2]" 1
1189 1 89 LYS HA 1 92 ILE HB . . 4.390 2.856 2.266 3.096 . 0 0 "[ . 1 . 2]" 1
1190 1 89 LYS HA 1 92 ILE MD . . 4.470 3.686 2.537 4.023 . 0 0 "[ . 1 . 2]" 1
1191 1 89 LYS HA 1 92 ILE HG13 . . 4.620 4.258 3.828 4.663 0.043 5 0 "[ . 1 . 2]" 1
1192 1 89 LYS HA 1 92 ILE MG . . 4.210 4.214 3.799 4.330 0.120 20 0 "[ . 1 . 2]" 1
1193 1 89 LYS HA 1 93 GLN H . . 4.920 3.959 3.552 4.494 . 0 0 "[ . 1 . 2]" 1
1194 1 89 LYS HB2 1 89 LYS QD . . 3.170 2.872 2.198 3.281 0.111 19 0 "[ . 1 . 2]" 1
1195 1 89 LYS HB2 1 90 GLN H . . 4.270 2.788 2.331 3.795 . 0 0 "[ . 1 . 2]" 1
1196 1 89 LYS HB3 1 89 LYS QD . . 3.080 2.585 2.102 3.273 0.193 20 0 "[ . 1 . 2]" 1
1197 1 89 LYS QD 1 90 GLN H . . 5.410 4.948 4.625 5.470 0.060 16 0 "[ . 1 . 2]" 1
1198 1 90 GLN H 1 90 GLN HB2 . . 4.140 2.332 2.117 2.580 . 0 0 "[ . 1 . 2]" 1
1199 1 90 GLN H 1 90 GLN QG . . 4.330 3.579 2.380 4.099 . 0 0 "[ . 1 . 2]" 1
1200 1 90 GLN H 1 91 VAL H . . 3.750 2.759 2.670 2.939 . 0 0 "[ . 1 . 2]" 1
1201 1 90 GLN HA 1 93 GLN H . . 4.800 3.503 3.085 3.923 . 0 0 "[ . 1 . 2]" 1
1202 1 90 GLN HA 1 93 GLN QB . . 3.440 2.765 2.198 3.454 0.014 16 0 "[ . 1 . 2]" 1
1203 1 90 GLN HB2 1 91 VAL H . . 4.110 3.291 2.465 4.009 . 0 0 "[ . 1 . 2]" 1
1204 1 90 GLN HB2 1 91 VAL QG . . 5.120 4.977 4.160 5.606 0.486 17 0 "[ . 1 . 2]" 1
1205 1 90 GLN HB3 1 91 VAL H . . 4.140 2.883 2.327 3.510 . 0 0 "[ . 1 . 2]" 1
1206 1 91 VAL H 1 91 VAL HB . . 3.610 2.121 1.985 2.208 . 0 0 "[ . 1 . 2]" 1
1207 1 91 VAL H 1 91 VAL QG . . 3.500 2.592 2.438 2.762 . 0 0 "[ . 1 . 2]" 1
1208 1 91 VAL H 1 92 ILE H . . 4.150 2.834 2.691 3.009 . 0 0 "[ . 1 . 2]" 1
1209 1 91 VAL HA 1 94 GLU H . . 4.800 3.402 2.981 3.639 . 0 0 "[ . 1 . 2]" 1
1210 1 91 VAL HA 1 94 GLU HB2 . . 3.860 3.258 2.332 3.930 0.070 14 0 "[ . 1 . 2]" 1
1211 1 91 VAL HA 1 95 MET H . . 5.070 3.757 3.608 4.021 . 0 0 "[ . 1 . 2]" 1
1212 1 91 VAL HA 1 95 MET QB . . 4.780 4.628 4.324 4.741 . 0 0 "[ . 1 . 2]" 1
1213 1 91 VAL HB 1 92 ILE H . . 3.830 3.707 3.595 3.847 0.017 16 0 "[ . 1 . 2]" 1
1214 1 91 VAL QG 1 92 ILE H . . 4.420 2.005 1.842 2.321 . 0 0 "[ . 1 . 2]" 1
1215 1 91 VAL QG 1 92 ILE HA . . 4.910 3.008 2.826 3.375 . 0 0 "[ . 1 . 2]" 1
1216 1 91 VAL QG 1 92 ILE HG12 . . 3.200 3.165 2.911 4.150 0.950 16 1 "[ . 1 .+ 2]" 1
1217 1 91 VAL QG 1 95 MET H . . 4.290 3.739 3.570 3.890 . 0 0 "[ . 1 . 2]" 1
1218 1 91 VAL QG 1 95 MET QB . . 3.980 3.343 2.958 3.657 . 0 0 "[ . 1 . 2]" 1
1219 1 91 VAL QG 1 95 MET ME . . 2.950 2.615 2.061 2.955 0.005 14 0 "[ . 1 . 2]" 1
1220 1 91 VAL QG 1 95 MET QG . . 4.680 2.898 2.429 3.362 . 0 0 "[ . 1 . 2]" 1
1221 1 92 ILE H 1 92 ILE HB . . 3.650 2.460 2.338 2.594 . 0 0 "[ . 1 . 2]" 1
1222 1 92 ILE H 1 92 ILE MD . . 4.950 3.803 3.576 3.964 . 0 0 "[ . 1 . 2]" 1
1223 1 92 ILE H 1 92 ILE HG12 . . 3.730 3.613 3.242 3.908 0.178 16 0 "[ . 1 . 2]" 1
1224 1 92 ILE H 1 92 ILE HG13 . . 4.780 2.454 2.053 2.678 . 0 0 "[ . 1 . 2]" 1
1225 1 92 ILE H 1 92 ILE MG . . 4.220 3.789 3.712 3.832 . 0 0 "[ . 1 . 2]" 1
1226 1 92 ILE H 1 93 GLN H . . 4.100 2.744 2.564 2.962 . 0 0 "[ . 1 . 2]" 1
1227 1 92 ILE HA 1 92 ILE MD . . 4.290 3.770 3.698 3.842 . 0 0 "[ . 1 . 2]" 1
1228 1 92 ILE HA 1 92 ILE HG12 . . 3.880 2.357 2.215 2.565 . 0 0 "[ . 1 . 2]" 1
1229 1 92 ILE HA 1 92 ILE HG13 . . 3.910 2.871 2.590 3.051 . 0 0 "[ . 1 . 2]" 1
1230 1 92 ILE HA 1 92 ILE MG . . 3.450 2.523 2.419 2.621 . 0 0 "[ . 1 . 2]" 1
1231 1 92 ILE HA 1 95 MET H . . 4.760 3.341 3.144 3.563 . 0 0 "[ . 1 . 2]" 1
1232 1 92 ILE HA 1 95 MET QB . . 4.780 3.090 2.140 3.914 . 0 0 "[ . 1 . 2]" 1
1233 1 92 ILE HA 1 95 MET ME . . 3.260 3.092 2.525 3.348 0.088 14 0 "[ . 1 . 2]" 1
1234 1 92 ILE HA 1 95 MET QG . . 5.190 2.900 1.817 4.168 . 0 0 "[ . 1 . 2]" 1
1235 1 92 ILE HA 1 96 CYS H . . 4.770 4.029 3.712 4.392 . 0 0 "[ . 1 . 2]" 1
1236 1 92 ILE HB 1 92 ILE MD . . 3.200 2.525 2.363 2.672 . 0 0 "[ . 1 . 2]" 1
1237 1 92 ILE HB 1 93 GLN H . . 4.400 3.061 2.789 3.290 . 0 0 "[ . 1 . 2]" 1
1238 1 92 ILE MD 1 92 ILE MG . . 3.000 2.085 2.018 2.159 . 0 0 "[ . 1 . 2]" 1
1239 1 92 ILE HG12 1 92 ILE MG . . 3.530 2.371 2.183 2.465 . 0 0 "[ . 1 . 2]" 1
1240 1 92 ILE HG12 1 95 MET ME . . 3.970 2.800 2.258 3.836 . 0 0 "[ . 1 . 2]" 1
1241 1 92 ILE MG 1 95 MET ME . . 4.850 3.814 3.412 4.443 . 0 0 "[ . 1 . 2]" 1
1242 1 92 ILE MG 1 96 CYS H . . 4.690 4.158 3.838 4.469 . 0 0 "[ . 1 . 2]" 1
1243 1 92 ILE MG 1 96 CYS HA . . 4.510 4.611 4.591 4.637 0.127 17 0 "[ . 1 . 2]" 1
1244 1 93 GLN H 1 93 GLN QB . . 3.790 2.163 2.017 2.579 . 0 0 "[ . 1 . 2]" 1
1245 1 93 GLN H 1 93 GLN HG3 . . 4.080 3.805 2.899 4.157 0.077 4 0 "[ . 1 . 2]" 1
1246 1 93 GLN H 1 94 GLU H . . 3.850 2.859 2.619 2.970 . 0 0 "[ . 1 . 2]" 1
1247 1 93 GLN HA 1 93 GLN HG2 . . 3.650 2.523 2.121 3.555 . 0 0 "[ . 1 . 2]" 1
1248 1 93 GLN HA 1 93 GLN HG3 . . 3.810 2.789 2.347 3.531 . 0 0 "[ . 1 . 2]" 1
1249 1 93 GLN HA 1 96 CYS HB2 . . 3.570 2.654 2.173 3.649 0.079 2 0 "[ . 1 . 2]" 1
1250 1 93 GLN HA 1 96 CYS HB3 . . 3.520 3.467 2.690 3.612 0.092 15 0 "[ . 1 . 2]" 1
1251 1 93 GLN HA 1 97 MET H . . 5.500 3.993 3.671 4.331 . 0 0 "[ . 1 . 2]" 1
1252 1 93 GLN HA 1 97 MET QG . . 5.090 3.862 3.314 4.208 . 0 0 "[ . 1 . 2]" 1
1253 1 93 GLN QB 1 93 GLN HG3 . . 2.410 2.280 2.124 2.549 0.139 16 0 "[ . 1 . 2]" 1
1254 1 93 GLN QB 1 94 GLU H . . 3.820 2.575 2.283 2.943 . 0 0 "[ . 1 . 2]" 1
1255 1 93 GLN QB 1 97 MET ME . . 2.880 2.557 2.058 2.918 0.038 4 0 "[ . 1 . 2]" 1
1256 1 94 GLU H 1 94 GLU HB2 . . 3.430 2.208 1.995 2.618 . 0 0 "[ . 1 . 2]" 1
1257 1 94 GLU H 1 94 GLU QG . . 3.950 3.738 2.537 4.026 0.076 15 0 "[ . 1 . 2]" 1
1258 1 94 GLU H 1 95 MET H . . 3.990 2.832 2.614 2.998 . 0 0 "[ . 1 . 2]" 1
1259 1 94 GLU HA 1 94 GLU QG . . 3.310 2.416 2.079 3.074 . 0 0 "[ . 1 . 2]" 1
1260 1 94 GLU HA 1 97 MET H . . 4.180 3.321 3.044 3.579 . 0 0 "[ . 1 . 2]" 1
1261 1 94 GLU HA 1 97 MET HB2 . . 4.850 2.645 2.378 2.817 . 0 0 "[ . 1 . 2]" 1
1262 1 94 GLU HA 1 97 MET HB3 . . 4.340 4.284 3.985 4.414 0.074 4 0 "[ . 1 . 2]" 1
1263 1 94 GLU HA 1 97 MET ME . . 3.730 2.094 1.901 2.285 . 0 0 "[ . 1 . 2]" 1
1264 1 94 GLU HA 1 97 MET QG . . 5.050 3.871 2.877 4.361 . 0 0 "[ . 1 . 2]" 1
1265 1 94 GLU HB2 1 94 GLU QG . . 2.700 2.257 2.107 2.533 . 0 0 "[ . 1 . 2]" 1
1266 1 94 GLU HB3 1 94 GLU QG . . 2.710 2.337 2.138 2.573 . 0 0 "[ . 1 . 2]" 1
1267 1 95 MET H 1 95 MET QB . . 3.700 2.283 2.066 2.549 . 0 0 "[ . 1 . 2]" 1
1268 1 95 MET H 1 95 MET ME . . 4.660 4.325 3.824 4.765 0.105 19 0 "[ . 1 . 2]" 1
1269 1 95 MET H 1 95 MET QG . . 3.770 2.279 1.854 2.864 . 0 0 "[ . 1 . 2]" 1
1270 1 95 MET H 1 96 CYS H . . 4.120 2.725 2.551 2.847 . 0 0 "[ . 1 . 2]" 1
1271 1 95 MET HA 1 98 GLN H . . 4.210 3.669 3.432 4.150 . 0 0 "[ . 1 . 2]" 1
1272 1 95 MET HA 1 98 GLN QB . . 3.620 3.125 2.599 3.645 0.025 13 0 "[ . 1 . 2]" 1
1273 1 95 MET QB 1 95 MET ME . . 3.120 2.492 2.084 2.853 . 0 0 "[ . 1 . 2]" 1
1274 1 96 CYS H 1 96 CYS HB2 . . 3.750 2.374 2.077 3.025 . 0 0 "[ . 1 . 2]" 1
1275 1 96 CYS H 1 97 MET H . . 4.220 2.232 1.933 2.487 . 0 0 "[ . 1 . 2]" 1
1276 1 96 CYS H 1 97 MET HB2 . . 4.490 4.180 3.903 4.533 0.043 11 0 "[ . 1 . 2]" 1
1277 1 96 CYS H 1 97 MET ME . . 4.630 4.451 4.059 4.699 0.069 16 0 "[ . 1 . 2]" 1
1278 1 96 CYS H 1 97 MET QG . . 4.350 4.271 3.557 4.323 . 0 0 "[ . 1 . 2]" 1
1279 1 96 CYS HA 1 98 GLN H . . 4.560 4.503 4.187 4.640 0.080 13 0 "[ . 1 . 2]" 1
1280 1 96 CYS HA 1 99 GLN H . . 4.620 3.348 2.939 3.944 . 0 0 "[ . 1 . 2]" 1
1281 1 96 CYS HA 1 99 GLN QB . . 3.890 2.648 2.045 3.996 0.106 6 0 "[ . 1 . 2]" 1
1282 1 96 CYS HA 1 100 TYR H . . 4.920 3.844 3.487 4.019 . 0 0 "[ . 1 . 2]" 1
1283 1 96 CYS HB2 1 97 MET H . . 5.030 3.218 2.569 4.093 . 0 0 "[ . 1 . 2]" 1
1284 1 96 CYS HB3 1 97 MET H . . 4.530 3.320 2.454 3.753 . 0 0 "[ . 1 . 2]" 1
1285 1 97 MET H 1 97 MET HB2 . . 3.680 2.251 2.125 2.438 . 0 0 "[ . 1 . 2]" 1
1286 1 97 MET H 1 97 MET HB3 . . 4.000 3.518 3.445 3.570 . 0 0 "[ . 1 . 2]" 1
1287 1 97 MET H 1 98 GLN H . . 3.930 2.660 2.495 3.003 . 0 0 "[ . 1 . 2]" 1
1288 1 97 MET H 1 98 GLN QB . . 4.520 4.453 4.225 4.592 0.072 4 0 "[ . 1 . 2]" 1
1289 1 97 MET HA 1 97 MET ME . . 4.500 4.388 4.195 4.579 0.079 16 0 "[ . 1 . 2]" 1
1290 1 97 MET HA 1 97 MET QG . . 3.980 2.168 2.106 2.326 . 0 0 "[ . 1 . 2]" 1
1291 1 97 MET HA 1 100 TYR H . . 5.500 3.367 3.082 3.600 . 0 0 "[ . 1 . 2]" 1
1292 1 97 MET HA 1 100 TYR HB2 . . 4.340 3.455 3.143 3.764 . 0 0 "[ . 1 . 2]" 1
1293 1 97 MET HA 1 100 TYR HB3 . . 4.670 2.412 2.096 2.762 . 0 0 "[ . 1 . 2]" 1
1294 1 97 MET HB2 1 97 MET ME . . 2.880 2.265 2.160 2.536 . 0 0 "[ . 1 . 2]" 1
1295 1 97 MET HB2 1 98 GLN H . . 4.230 2.798 2.441 3.062 . 0 0 "[ . 1 . 2]" 1
1296 1 97 MET HB3 1 97 MET ME . . 3.210 3.163 3.021 3.318 0.108 12 0 "[ . 1 . 2]" 1
1297 1 97 MET HB3 1 98 GLN HA . . 4.160 4.242 4.218 4.251 0.091 6 0 "[ . 1 . 2]" 1
1298 1 97 MET ME 1 97 MET QG . . 3.290 2.417 2.059 2.610 . 0 0 "[ . 1 . 2]" 1
1299 1 98 GLN H 1 98 GLN QB . . 3.440 2.172 1.989 2.510 . 0 0 "[ . 1 . 2]" 1
1300 1 98 GLN H 1 98 GLN QG . . 3.640 3.346 2.469 3.740 0.100 15 0 "[ . 1 . 2]" 1
1301 1 98 GLN H 1 99 GLN H . . 4.300 2.695 2.469 2.863 . 0 0 "[ . 1 . 2]" 1
1302 1 98 GLN H 1 100 TYR H . . 4.620 4.179 3.810 4.539 . 0 0 "[ . 1 . 2]" 1
1303 1 98 GLN HA 1 98 GLN QG . . 3.140 2.318 2.113 2.762 . 0 0 "[ . 1 . 2]" 1
1304 1 98 GLN HA 1 101 GLN H . . 4.160 3.777 3.474 4.178 0.018 14 0 "[ . 1 . 2]" 1
1305 1 98 GLN HA 1 101 GLN QB . . 3.410 3.435 3.031 3.519 0.109 9 0 "[ . 1 . 2]" 1
1306 1 98 GLN QB 1 99 GLN H . . 3.590 2.804 2.461 3.402 . 0 0 "[ . 1 . 2]" 1
1307 1 98 GLN QB 1 99 GLN HA . . 4.220 3.981 3.589 4.293 0.073 13 0 "[ . 1 . 2]" 1
1308 1 99 GLN H 1 99 GLN QB . . 3.620 2.254 2.051 2.459 . 0 0 "[ . 1 . 2]" 1
1309 1 99 GLN H 1 99 GLN QG . . 4.650 3.782 2.349 4.113 . 0 0 "[ . 1 . 2]" 1
1310 1 99 GLN H 1 100 TYR H . . 4.630 2.635 1.984 2.947 . 0 0 "[ . 1 . 2]" 1
1311 1 99 GLN QB 1 100 TYR H . . 4.020 2.909 2.479 3.743 . 0 0 "[ . 1 . 2]" 1
1312 1 99 GLN QG 1 100 TYR H . . 4.200 3.939 2.701 4.294 0.094 3 0 "[ . 1 . 2]" 1
1313 1 100 TYR H 1 100 TYR HB2 . . 4.010 2.855 2.641 3.065 . 0 0 "[ . 1 . 2]" 1
1314 1 100 TYR H 1 100 TYR HB3 . . 4.120 2.208 2.023 2.472 . 0 0 "[ . 1 . 2]" 1
1315 1 100 TYR H 1 100 TYR QD . . 5.500 3.956 3.713 4.238 . 0 0 "[ . 1 . 2]" 1
1316 1 100 TYR H 1 101 GLN H . . 4.290 2.941 2.755 3.163 . 0 0 "[ . 1 . 2]" 1
1317 1 100 TYR HA 1 100 TYR QD . . 4.240 3.083 2.742 3.432 . 0 0 "[ . 1 . 2]" 1
1318 1 100 TYR HA 1 103 TYR QD . . 4.630 4.566 3.778 4.731 0.101 17 0 "[ . 1 . 2]" 1
1319 1 100 TYR QE 1 101 GLN QG . . 3.630 3.620 3.285 3.745 0.115 10 0 "[ . 1 . 2]" 1
1320 1 100 TYR QE 1 103 TYR HB3 . . 4.530 3.988 2.980 4.602 0.072 12 0 "[ . 1 . 2]" 1
1321 1 100 TYR QE 1 104 GLN HG2 . . 3.840 3.462 2.835 3.919 0.079 3 0 "[ . 1 . 2]" 1
1322 1 100 TYR QE 1 104 GLN HG3 . . 4.160 3.326 2.872 4.254 0.094 5 0 "[ . 1 . 2]" 1
1323 1 101 GLN H 1 101 GLN QB . . 3.640 2.051 1.831 2.321 . 0 0 "[ . 1 . 2]" 1
1324 1 101 GLN H 1 101 GLN QG . . 3.420 3.202 2.328 3.530 0.110 10 0 "[ . 1 . 2]" 1
1325 1 101 GLN HA 1 103 TYR H . . 5.340 3.920 3.613 4.189 . 0 0 "[ . 1 . 2]" 1
1326 1 101 GLN HA 1 104 GLN H . . 3.990 3.292 3.102 3.578 . 0 0 "[ . 1 . 2]" 1
1327 1 101 GLN HA 1 104 GLN QB . . 3.690 3.028 2.427 3.785 0.095 5 0 "[ . 1 . 2]" 1
1328 1 101 GLN HA 1 104 GLN HG2 . . 4.420 3.894 2.344 4.481 0.061 3 0 "[ . 1 . 2]" 1
1329 1 101 GLN HA 1 104 GLN HG3 . . 3.760 3.618 2.174 3.853 0.093 13 0 "[ . 1 . 2]" 1
1330 1 102 GLN H 1 102 GLN QB . . 3.610 2.460 2.075 2.822 . 0 0 "[ . 1 . 2]" 1
1331 1 102 GLN H 1 102 GLN HG2 . . 4.070 2.528 2.192 4.157 0.087 4 0 "[ . 1 . 2]" 1
1332 1 102 GLN H 1 102 GLN HG3 . . 4.010 3.491 2.282 4.103 0.093 4 0 "[ . 1 . 2]" 1
1333 1 102 GLN H 1 103 TYR H . . 3.830 2.598 2.525 2.672 . 0 0 "[ . 1 . 2]" 1
1334 1 102 GLN H 1 103 TYR HA . . 5.080 5.159 5.147 5.172 0.092 8 0 "[ . 1 . 2]" 1
1335 1 102 GLN H 1 105 LEU HG . . 4.410 4.447 4.156 4.495 0.085 12 0 "[ . 1 . 2]" 1
1336 1 102 GLN HA 1 102 GLN HG2 . . 4.280 3.118 2.649 4.242 . 0 0 "[ . 1 . 2]" 1
1337 1 102 GLN HA 1 102 GLN HG3 . . 4.200 3.757 2.260 4.016 . 0 0 "[ . 1 . 2]" 1
1338 1 102 GLN HA 1 104 GLN H . . 4.390 4.204 3.907 4.457 0.067 8 0 "[ . 1 . 2]" 1
1339 1 102 GLN HA 1 105 LEU H . . 4.280 3.194 2.889 3.640 . 0 0 "[ . 1 . 2]" 1
1340 1 102 GLN HA 1 105 LEU HB2 . . 4.640 2.305 2.085 2.709 . 0 0 "[ . 1 . 2]" 1
1341 1 102 GLN HA 1 105 LEU HB3 . . 4.390 3.893 3.570 4.325 . 0 0 "[ . 1 . 2]" 1
1342 1 102 GLN HA 1 105 LEU MD1 . . 3.900 3.142 2.529 3.966 0.066 9 0 "[ . 1 . 2]" 1
1343 1 102 GLN HA 1 105 LEU MD2 . . 4.850 4.268 3.809 4.718 . 0 0 "[ . 1 . 2]" 1
1344 1 102 GLN HA 1 105 LEU HG . . 4.000 2.764 2.172 3.372 . 0 0 "[ . 1 . 2]" 1
1345 1 102 GLN HA 1 106 ALA H . . 5.500 3.532 2.812 3.901 . 0 0 "[ . 1 . 2]" 1
1346 1 102 GLN HA 1 106 ALA MB . . 5.200 4.158 3.651 4.555 . 0 0 "[ . 1 . 2]" 1
1347 1 102 GLN QB 1 102 GLN HG3 . . 2.780 2.192 2.120 2.452 . 0 0 "[ . 1 . 2]" 1
1348 1 102 GLN QB 1 103 TYR H . . 4.020 2.859 2.484 3.557 . 0 0 "[ . 1 . 2]" 1
1349 1 102 GLN QB 1 103 TYR HA . . 4.220 3.895 3.632 4.174 . 0 0 "[ . 1 . 2]" 1
1350 1 102 GLN QB 1 106 ALA H . . 4.560 4.164 3.402 4.397 . 0 0 "[ . 1 . 2]" 1
1351 1 102 GLN QB 1 106 ALA MB . . 4.630 3.556 2.994 3.801 . 0 0 "[ . 1 . 2]" 1
1352 1 103 TYR H 1 103 TYR HB2 . . 3.950 2.581 2.201 3.092 . 0 0 "[ . 1 . 2]" 1
1353 1 103 TYR H 1 103 TYR HB3 . . 3.860 2.418 2.107 2.734 . 0 0 "[ . 1 . 2]" 1
1354 1 103 TYR H 1 103 TYR QD . . 4.960 4.113 3.978 4.305 . 0 0 "[ . 1 . 2]" 1
1355 1 103 TYR H 1 104 GLN H . . 4.030 2.603 2.452 2.762 . 0 0 "[ . 1 . 2]" 1
1356 1 103 TYR H 1 104 GLN QB . . 4.630 4.549 4.322 4.720 0.090 5 0 "[ . 1 . 2]" 1
1357 1 103 TYR H 1 105 LEU H . . 5.330 3.928 3.724 4.144 . 0 0 "[ . 1 . 2]" 1
1358 1 103 TYR H 1 106 ALA MB . . 4.660 4.667 4.519 4.762 0.102 4 0 "[ . 1 . 2]" 1
1359 1 103 TYR HA 1 103 TYR QD . . 3.370 3.041 2.484 3.328 . 0 0 "[ . 1 . 2]" 1
1360 1 103 TYR HA 1 103 TYR QE . . 4.940 4.907 4.587 5.029 0.089 13 0 "[ . 1 . 2]" 1
1361 1 103 TYR HA 1 106 ALA MB . . 3.570 2.912 2.474 3.525 . 0 0 "[ . 1 . 2]" 1
1362 1 103 TYR HB2 1 104 GLN H . . 4.050 3.901 3.611 4.132 0.082 4 0 "[ . 1 . 2]" 1
1363 1 103 TYR HB3 1 104 GLN H . . 4.190 2.715 2.364 2.990 . 0 0 "[ . 1 . 2]" 1
1364 1 103 TYR QD 1 104 GLN H . . 4.670 3.624 2.836 4.020 . 0 0 "[ . 1 . 2]" 1
1365 1 103 TYR QD 1 104 GLN HA . . 4.130 3.459 2.659 4.210 0.080 18 0 "[ . 1 . 2]" 1
1366 1 103 TYR QD 1 104 GLN QB . . 4.640 4.406 2.254 4.745 0.105 1 0 "[ . 1 . 2]" 1
1367 1 103 TYR QD 1 104 GLN HG2 . . 4.140 3.103 2.546 4.212 0.072 5 0 "[ . 1 . 2]" 1
1368 1 103 TYR QD 1 104 GLN HG3 . . 4.660 4.545 4.032 4.743 0.083 6 0 "[ . 1 . 2]" 1
1369 1 103 TYR QD 1 107 SER H . . 4.550 4.460 3.725 4.657 0.107 5 0 "[ . 1 . 2]" 1
1370 1 104 GLN H 1 104 GLN QB . . 3.360 2.315 2.172 2.450 . 0 0 "[ . 1 . 2]" 1
1371 1 104 GLN H 1 104 GLN HG2 . . 3.890 2.605 2.205 3.032 . 0 0 "[ . 1 . 2]" 1
1372 1 104 GLN H 1 105 LEU H . . 3.700 2.437 2.233 2.567 . 0 0 "[ . 1 . 2]" 1
1373 1 104 GLN H 1 105 LEU HB2 . . 4.480 4.547 4.527 4.557 0.077 6 0 "[ . 1 . 2]" 1
1374 1 104 GLN HA 1 104 GLN HG2 . . 4.130 2.934 2.448 4.168 0.038 5 0 "[ . 1 . 2]" 1
1375 1 104 GLN HA 1 104 GLN HG3 . . 4.270 3.773 3.648 3.889 . 0 0 "[ . 1 . 2]" 1
1376 1 104 GLN HA 1 107 SER H . . 4.440 3.517 2.748 4.504 0.064 4 0 "[ . 1 . 2]" 1
1377 1 104 GLN QB 1 104 GLN HG2 . . 2.480 2.444 2.098 2.542 0.062 19 0 "[ . 1 . 2]" 1
1378 1 104 GLN QB 1 105 LEU H . . 3.720 3.017 2.557 3.672 . 0 0 "[ . 1 . 2]" 1
1379 1 104 GLN HG2 1 105 LEU H . . 4.760 4.578 4.045 4.826 0.066 3 0 "[ . 1 . 2]" 1
1380 1 105 LEU H 1 105 LEU HB2 . . 3.870 2.429 2.280 2.548 . 0 0 "[ . 1 . 2]" 1
1381 1 105 LEU H 1 105 LEU MD2 . . 3.930 3.011 2.668 3.364 . 0 0 "[ . 1 . 2]" 1
1382 1 105 LEU H 1 105 LEU HG . . 3.310 2.830 2.454 3.382 0.072 4 0 "[ . 1 . 2]" 1
1383 1 105 LEU H 1 106 ALA H . . 3.280 2.455 2.020 2.745 . 0 0 "[ . 1 . 2]" 1
1384 1 105 LEU H 1 106 ALA MB . . 4.460 4.044 3.572 4.350 . 0 0 "[ . 1 . 2]" 1
1385 1 105 LEU H 1 107 SER H . . 4.090 3.730 3.080 4.135 0.045 11 0 "[ . 1 . 2]" 1
1386 1 105 LEU HA 1 105 LEU MD1 . . 3.640 3.615 3.111 3.742 0.102 8 0 "[ . 1 . 2]" 1
1387 1 105 LEU HA 1 105 LEU MD2 . . 3.120 2.128 2.057 2.198 . 0 0 "[ . 1 . 2]" 1
1388 1 105 LEU HA 1 107 SER H . . 4.550 4.417 3.924 4.630 0.080 5 0 "[ . 1 . 2]" 1
1389 1 105 LEU HB2 1 105 LEU MD1 . . 3.510 2.598 2.447 2.919 . 0 0 "[ . 1 . 2]" 1
1390 1 105 LEU HB2 1 105 LEU HG . . 2.690 2.311 2.195 2.392 . 0 0 "[ . 1 . 2]" 1
1391 1 105 LEU HB2 1 106 ALA H . . 4.000 2.371 2.154 2.591 . 0 0 "[ . 1 . 2]" 1
1392 1 105 LEU HB2 1 106 ALA HA . . 5.390 4.330 4.147 4.549 . 0 0 "[ . 1 . 2]" 1
1393 1 105 LEU HB2 1 107 SER H . . 4.780 4.808 4.546 4.862 0.082 7 0 "[ . 1 . 2]" 1
1394 1 105 LEU HB3 1 105 LEU MD2 . . 3.580 2.748 2.562 3.072 . 0 0 "[ . 1 . 2]" 1
1395 1 105 LEU HB3 1 106 ALA H . . 3.540 3.381 2.783 3.608 0.068 15 0 "[ . 1 . 2]" 1
1396 1 105 LEU HB3 1 106 ALA HA . . 4.820 4.331 3.825 4.677 . 0 0 "[ . 1 . 2]" 1
1397 1 105 LEU MD1 1 106 ALA H . . 4.690 4.562 4.351 4.784 0.094 13 0 "[ . 1 . 2]" 1
1398 1 105 LEU MD2 1 106 ALA H . . 4.400 4.466 4.352 4.509 0.109 20 0 "[ . 1 . 2]" 1
1399 1 106 ALA H 1 106 ALA MB . . 3.080 2.187 2.110 2.261 . 0 0 "[ . 1 . 2]" 1
1400 1 106 ALA H 1 107 SER H . . 3.470 2.689 2.455 2.941 . 0 0 "[ . 1 . 2]" 1
1401 1 106 ALA MB 1 107 SER H . . 3.600 2.716 2.299 3.277 . 0 0 "[ . 1 . 2]" 1
1402 1 106 ALA MB 1 107 SER HA . . 5.250 4.074 3.439 4.696 . 0 0 "[ . 1 . 2]" 1
1403 1 107 SER H 1 107 SER QB . . 3.420 2.800 2.107 3.392 . 0 0 "[ . 1 . 2]" 1
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