NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429681 |
2jmo   |
15074 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jmo
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 615
_Distance_constraint_stats_list.Viol_count 863
_Distance_constraint_stats_list.Viol_total 4076.952
_Distance_constraint_stats_list.Viol_max 3.665
_Distance_constraint_stats_list.Viol_rms 0.1214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.2362
_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 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 4.809 0.652 19 2 "[ . - 1 . +2]"
1 12 GLN 2.853 0.652 19 1 "[ . 1 . +2]"
1 13 GLN 0.072 0.046 7 0 "[ . 1 . 2]"
1 14 TYR 0.392 0.392 16 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.957 0.121 8 0 "[ . 1 . 2]"
1 18 GLU 1.177 0.190 15 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 0.374 0.096 13 0 "[ . 1 . 2]"
1 21 LEU 4.846 0.481 13 0 "[ . 1 . 2]"
1 23 MET 8.594 1.232 15 6 "[ * .**- 1* + 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 6.913 1.232 15 6 "[ * .**- 1* + 2]"
1 26 VAL 18.130 1.155 20 9 "[* -*. 1 **** * +]"
1 27 LEU 50.994 3.665 14 19 "[*** *********+*-****]"
1 28 CYS 5.596 0.643 13 4 "[ - . 1 + * *]"
1 29 PRO 1.005 0.191 12 0 "[ . 1 . 2]"
1 30 ARG 1.570 0.195 12 0 "[ . 1 . 2]"
1 31 PRO 2.180 0.396 11 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 3.032 0.396 11 0 "[ . 1 . 2]"
1 34 GLY 2.045 0.923 18 1 "[ . 1 . + 2]"
1 35 ALA 2.822 0.429 17 0 "[ . 1 . 2]"
1 36 GLY 1.228 0.429 17 0 "[ . 1 . 2]"
1 37 LEU 0.512 0.102 10 0 "[ . 1 . 2]"
1 38 LEU 9.178 1.146 20 7 "[* *. 1 - ** * +]"
1 39 PRO 4.226 1.155 20 1 "[ . 1 . +]"
1 40 GLU 4.372 0.664 10 2 "[ . + -. 2]"
1 41 PRO 0.164 0.164 14 0 "[ . 1 . 2]"
1 42 ASP 15.600 1.855 20 12 "[****. * 1 *- *** *+]"
1 43 GLN 18.107 1.530 17 12 "[****. * 1 ** **+ -*]"
1 44 ARG 0.195 0.107 1 0 "[ . 1 . 2]"
1 45 LYS 2.894 0.629 14 1 "[ . 1 +. 2]"
1 46 VAL 4.911 0.453 10 0 "[ . 1 . 2]"
1 47 THR 1.433 0.453 10 0 "[ . 1 . 2]"
1 48 CYS 3.610 0.328 3 0 "[ . 1 . 2]"
1 49 GLU 10.157 0.745 7 8 "[ ** + 1 -* ***2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 0.301 0.143 9 0 "[ . 1 . 2]"
1 53 GLY 0.476 0.476 20 0 "[ . 1 . 2]"
1 54 LEU 6.799 0.726 7 1 "[ . + 1 . 2]"
1 55 GLY 7.625 0.745 7 5 "[ *. + 1 - **2]"
1 56 CYS 1.430 0.726 7 1 "[ . + 1 . 2]"
1 57 GLY 0.241 0.149 18 0 "[ . 1 . 2]"
1 58 PHE 19.519 0.594 16 6 "[ *. * * .+-* 2]"
1 59 ALA 1.963 0.217 6 0 "[ . 1 . 2]"
1 60 PHE 17.843 0.594 16 6 "[ *. * * .+-* 2]"
1 61 CYS 4.778 0.497 5 0 "[ . 1 . 2]"
1 62 ARG 35.614 1.855 20 12 "[****. * 1 ** *** -+]"
1 63 GLU 2.857 0.322 12 0 "[ . 1 . 2]"
1 64 CYS 12.051 0.637 16 19 "[* *************+***-]"
1 65 LYS 41.696 3.665 14 19 "[*** *********+*-****]"
1 66 GLU 0.455 0.102 16 0 "[ . 1 . 2]"
1 67 ALA 6.485 0.326 18 0 "[ . 1 . 2]"
1 68 TYR 4.463 0.497 5 0 "[ . 1 . 2]"
1 69 HIS 0.693 0.220 17 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.577 0.124 10 0 "[ . 1 . 2]"
1 72 GLU 4.500 0.730 18 2 "[ . - 1 . + 2]"
1 73 CYS 13.084 0.637 16 19 "[* *************+***-]"
1 74 SER 2.566 0.730 18 2 "[ . - 1 . + 2]"
1 75 ALA 2.535 0.279 18 0 "[ . 1 . 2]"
1 76 VAL 2.629 0.279 18 0 "[ . 1 . 2]"
1 77 PHE 0.336 0.095 19 0 "[ . 1 . 2]"
1 78 GLU 0.221 0.059 9 0 "[ . 1 . 2]"
1 79 ALA 0.221 0.059 9 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 6 GLU H 1 6 GLU QB . . 3.690 2.451 2.050 3.031 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLU QB 1 7 GLN H . . 4.460 3.014 2.122 3.849 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLU HB2 1 7 GLN H . . 5.130 3.941 2.483 4.515 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU HB3 1 7 GLN H . . 5.130 3.249 2.139 4.422 . 0 0 "[ . 1 . 2]" 1
5 1 8 TYR HA 1 8 TYR HD1 . . 4.530 2.834 2.103 4.278 . 0 0 "[ . 1 . 2]" 1
6 1 8 TYR HA 1 8 TYR HD2 . . 4.920 4.072 3.739 4.494 . 0 0 "[ . 1 . 2]" 1
7 1 8 TYR QB 1 8 TYR HD1 . . 2.890 2.618 2.434 2.779 . 0 0 "[ . 1 . 2]" 1
8 1 8 TYR QB 1 8 TYR HD2 . . 2.670 2.292 2.263 2.364 . 0 0 "[ . 1 . 2]" 1
9 1 10 ARG HA 1 10 ARG HD2 . . 5.500 4.149 2.260 5.407 . 0 0 "[ . 1 . 2]" 1
10 1 10 ARG HA 1 10 ARG QD . . 4.720 3.630 2.228 4.249 . 0 0 "[ . 1 . 2]" 1
11 1 10 ARG HA 1 10 ARG HD3 . . 5.500 4.159 3.075 5.335 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG HA 1 10 ARG HG2 . . 4.240 3.118 2.188 3.984 . 0 0 "[ . 1 . 2]" 1
13 1 10 ARG HA 1 10 ARG QG . . 3.630 2.527 2.067 3.399 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG HA 1 10 ARG HG3 . . 4.240 2.977 2.099 4.195 . 0 0 "[ . 1 . 2]" 1
15 1 10 ARG QB 1 10 ARG QD . . 3.310 2.077 1.907 2.252 . 0 0 "[ . 1 . 2]" 1
16 1 10 ARG HB2 1 11 TYR H . . 5.500 3.977 2.309 4.627 . 0 0 "[ . 1 . 2]" 1
17 1 10 ARG HB3 1 11 TYR H . . 5.500 3.712 2.215 4.548 . 0 0 "[ . 1 . 2]" 1
18 1 11 TYR HA 1 11 TYR HD1 . . 3.330 2.852 2.153 3.847 0.517 8 1 "[ . + 1 . 2]" 1
19 1 11 TYR HA 1 11 TYR QE . . 5.090 4.556 4.176 5.557 0.467 8 0 "[ . 1 . 2]" 1
20 1 11 TYR HA 1 12 GLN QB . . 5.340 4.473 3.991 5.360 0.020 1 0 "[ . 1 . 2]" 1
21 1 11 TYR QB 1 11 TYR HD2 . . 2.810 2.294 2.263 2.381 . 0 0 "[ . 1 . 2]" 1
22 1 11 TYR QB 1 12 GLN H . . 4.450 2.913 2.191 3.871 . 0 0 "[ . 1 . 2]" 1
23 1 11 TYR HD1 1 12 GLN H . . 5.500 3.881 1.912 5.535 0.035 7 0 "[ . 1 . 2]" 1
24 1 11 TYR HD2 1 12 GLN H . . 5.500 5.174 2.542 6.152 0.652 19 1 "[ . 1 . +2]" 1
25 1 13 GLN H 1 14 TYR H . . 5.500 4.306 2.661 4.644 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLN HA 1 13 GLN HG2 . . 3.970 2.716 2.020 3.995 0.025 16 0 "[ . 1 . 2]" 1
27 1 13 GLN HA 1 13 GLN QG . . 3.450 2.444 2.002 3.328 . 0 0 "[ . 1 . 2]" 1
28 1 13 GLN HA 1 13 GLN HG3 . . 3.970 3.249 2.141 4.016 0.046 7 0 "[ . 1 . 2]" 1
29 1 13 GLN HA 1 14 TYR H . . 3.090 2.471 2.291 2.845 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLN QB 1 13 GLN QG . . 2.350 2.044 2.019 2.086 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLN QB 1 14 TYR H . . 4.060 2.615 2.071 3.861 . 0 0 "[ . 1 . 2]" 1
32 1 13 GLN QB 1 14 TYR HA . . 5.340 4.235 3.909 4.811 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLN HB2 1 14 TYR H . . 4.750 3.557 2.203 4.359 . 0 0 "[ . 1 . 2]" 1
34 1 13 GLN HB3 1 14 TYR H . . 4.750 2.951 2.088 4.323 . 0 0 "[ . 1 . 2]" 1
35 1 14 TYR H 1 14 TYR QB . . 3.400 2.545 2.053 3.372 . 0 0 "[ . 1 . 2]" 1
36 1 14 TYR H 1 15 GLY H . . 5.500 3.744 1.995 4.636 . 0 0 "[ . 1 . 2]" 1
37 1 14 TYR HA 1 14 TYR HD1 . . 3.740 2.758 2.106 4.132 0.392 16 0 "[ . 1 . 2]" 1
38 1 14 TYR HA 1 14 TYR QE . . 5.500 4.447 4.185 4.828 . 0 0 "[ . 1 . 2]" 1
39 1 14 TYR QB 1 14 TYR HD1 . . 3.120 2.598 2.405 2.771 . 0 0 "[ . 1 . 2]" 1
40 1 14 TYR QB 1 14 TYR HD2 . . 2.990 2.299 2.264 2.389 . 0 0 "[ . 1 . 2]" 1
41 1 15 GLY H 1 16 ALA H . . 5.500 3.546 2.009 4.604 . 0 0 "[ . 1 . 2]" 1
42 1 16 ALA H 1 17 GLU H . . 5.500 4.347 3.842 4.627 . 0 0 "[ . 1 . 2]" 1
43 1 16 ALA H 1 17 GLU HA . . 5.500 5.085 4.593 5.489 . 0 0 "[ . 1 . 2]" 1
44 1 16 ALA MB 1 17 GLU H . . 4.940 2.974 2.200 3.444 . 0 0 "[ . 1 . 2]" 1
45 1 17 GLU H 1 17 GLU QB . . 3.620 2.333 2.054 2.993 . 0 0 "[ . 1 . 2]" 1
46 1 17 GLU H 1 17 GLU HG2 . . 5.410 4.084 2.182 5.088 . 0 0 "[ . 1 . 2]" 1
47 1 17 GLU H 1 17 GLU QG . . 4.650 3.456 2.147 4.056 . 0 0 "[ . 1 . 2]" 1
48 1 17 GLU H 1 17 GLU HG3 . . 5.410 3.849 2.351 4.578 . 0 0 "[ . 1 . 2]" 1
49 1 17 GLU HA 1 17 GLU HG2 . . 4.110 2.903 2.068 4.030 . 0 0 "[ . 1 . 2]" 1
50 1 17 GLU HA 1 17 GLU QG . . 3.540 2.347 2.022 3.346 . 0 0 "[ . 1 . 2]" 1
51 1 17 GLU HA 1 17 GLU HG3 . . 4.110 2.816 2.046 3.733 . 0 0 "[ . 1 . 2]" 1
52 1 17 GLU HA 1 18 GLU H . . 3.450 2.895 2.140 3.571 0.121 8 0 "[ . 1 . 2]" 1
53 1 17 GLU QG 1 18 GLU H . . 4.880 3.831 2.142 4.488 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU H 1 18 GLU QB . . 3.280 2.603 2.173 3.197 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU H 1 18 GLU HG2 . . 5.500 3.283 2.011 4.931 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU H 1 18 GLU HG3 . . 5.500 3.538 2.011 4.394 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU HA 1 19 CYS QB . . 5.340 4.192 3.851 4.671 . 0 0 "[ . 1 . 2]" 1
58 1 18 GLU HA 1 21 LEU H . . 5.500 5.033 4.294 5.495 . 0 0 "[ . 1 . 2]" 1
59 1 18 GLU HA 1 21 LEU HB2 . . 5.500 4.298 3.227 5.530 0.030 15 0 "[ . 1 . 2]" 1
60 1 18 GLU HA 1 21 LEU HB3 . . 5.500 4.657 3.463 5.690 0.190 15 0 "[ . 1 . 2]" 1
61 1 18 GLU QB 1 19 CYS QB . . 5.180 4.871 4.395 5.102 . 0 0 "[ . 1 . 2]" 1
62 1 19 CYS H 1 19 CYS QB . . 3.660 2.718 2.084 3.240 . 0 0 "[ . 1 . 2]" 1
63 1 19 CYS H 1 20 VAL H . . 5.500 4.102 3.835 4.494 . 0 0 "[ . 1 . 2]" 1
64 1 19 CYS QB 1 20 VAL HA . . 5.340 5.051 4.378 5.336 . 0 0 "[ . 1 . 2]" 1
65 1 19 CYS QB 1 20 VAL QG . . 4.750 2.886 2.508 3.663 . 0 0 "[ . 1 . 2]" 1
66 1 20 VAL H 1 20 VAL HB . . 3.930 3.758 3.597 3.978 0.048 6 0 "[ . 1 . 2]" 1
67 1 20 VAL H 1 20 VAL QG . . 4.000 2.354 1.860 2.667 . 0 0 "[ . 1 . 2]" 1
68 1 20 VAL H 1 21 LEU H . . 4.960 2.845 2.642 2.992 . 0 0 "[ . 1 . 2]" 1
69 1 20 VAL HB 1 21 LEU H . . 4.470 4.352 4.080 4.566 0.096 13 0 "[ . 1 . 2]" 1
70 1 21 LEU H 1 21 LEU HB2 . . 3.260 2.803 2.124 3.741 0.481 13 0 "[ . 1 . 2]" 1
71 1 21 LEU H 1 21 LEU QB . . 2.740 2.344 2.104 2.658 . 0 0 "[ . 1 . 2]" 1
72 1 21 LEU H 1 21 LEU HB3 . . 3.260 3.024 2.275 3.702 0.442 20 0 "[ . 1 . 2]" 1
73 1 21 LEU QB 1 21 LEU QD . . 2.820 1.833 1.719 1.948 . 0 0 "[ . 1 . 2]" 1
74 1 23 MET QB 1 63 GLU H . . 4.740 4.251 3.581 4.716 . 0 0 "[ . 1 . 2]" 1
75 1 23 MET QB 1 63 GLU HA . . 3.000 2.640 1.965 3.089 0.089 19 0 "[ . 1 . 2]" 1
76 1 23 MET HB2 1 63 GLU H . . 5.500 4.751 3.660 5.420 . 0 0 "[ . 1 . 2]" 1
77 1 23 MET HB2 1 63 GLU HA . . 3.720 2.984 2.022 3.810 0.090 16 0 "[ . 1 . 2]" 1
78 1 23 MET HB2 1 64 CYS H . . 5.500 5.363 4.663 5.530 0.030 10 0 "[ . 1 . 2]" 1
79 1 23 MET HB3 1 63 GLU H . . 5.500 4.973 4.203 5.513 0.013 6 0 "[ . 1 . 2]" 1
80 1 23 MET HB3 1 63 GLU HA . . 3.720 3.044 2.431 3.814 0.094 5 0 "[ . 1 . 2]" 1
81 1 23 MET HB3 1 64 CYS H . . 5.500 5.458 5.191 5.540 0.040 19 0 "[ . 1 . 2]" 1
82 1 23 MET ME 1 24 GLY QA . . 4.700 3.080 1.955 4.312 . 0 0 "[ . 1 . 2]" 1
83 1 23 MET ME 1 25 GLY H . . 5.500 4.312 2.164 5.492 . 0 0 "[ . 1 . 2]" 1
84 1 23 MET ME 1 25 GLY QA . . 5.340 4.994 3.227 6.572 1.232 15 6 "[ * .**- 1* + 2]" 1
85 1 23 MET ME 1 38 LEU QD . . 4.580 4.553 3.999 4.678 0.098 10 0 "[ . 1 . 2]" 1
86 1 24 GLY QA 1 25 GLY H . . 3.010 2.231 2.114 2.813 . 0 0 "[ . 1 . 2]" 1
87 1 24 GLY QA 1 38 LEU QD . . 4.000 2.839 2.116 3.300 . 0 0 "[ . 1 . 2]" 1
88 1 25 GLY H 1 38 LEU QD . . 4.440 2.632 1.840 4.409 . 0 0 "[ . 1 . 2]" 1
89 1 25 GLY H 1 38 LEU HG . . 5.500 4.983 3.980 5.520 0.020 20 0 "[ . 1 . 2]" 1
90 1 25 GLY QA 1 26 VAL H . . 2.990 2.323 2.112 2.740 . 0 0 "[ . 1 . 2]" 1
91 1 25 GLY QA 1 26 VAL HA . . 5.050 3.986 3.932 4.181 . 0 0 "[ . 1 . 2]" 1
92 1 25 GLY QA 1 38 LEU HA . . 4.190 3.571 2.474 4.247 0.057 6 0 "[ . 1 . 2]" 1
93 1 25 GLY QA 1 38 LEU QD . . 3.490 2.246 1.718 3.375 . 0 0 "[ . 1 . 2]" 1
94 1 25 GLY QA 1 39 PRO QD . . 4.760 3.657 2.175 4.732 . 0 0 "[ . 1 . 2]" 1
95 1 26 VAL H 1 26 VAL HB . . 4.010 3.341 2.450 3.943 . 0 0 "[ . 1 . 2]" 1
96 1 26 VAL H 1 26 VAL QG . . 3.310 2.231 1.840 2.724 . 0 0 "[ . 1 . 2]" 1
97 1 26 VAL H 1 27 LEU H . . 5.500 4.395 4.018 4.568 . 0 0 "[ . 1 . 2]" 1
98 1 26 VAL H 1 38 LEU H . . 5.500 5.805 4.904 6.646 1.146 20 7 "[* *. 1 - ** * +]" 1
99 1 26 VAL H 1 38 LEU HA . . 4.370 3.740 3.155 4.430 0.060 20 0 "[ . 1 . 2]" 1
100 1 26 VAL H 1 38 LEU QD . . 4.280 3.411 2.371 3.864 . 0 0 "[ . 1 . 2]" 1
101 1 26 VAL H 1 39 PRO HD2 . . 4.780 3.625 2.862 4.228 . 0 0 "[ . 1 . 2]" 1
102 1 26 VAL H 1 39 PRO QD . . 4.100 3.160 2.542 3.965 . 0 0 "[ . 1 . 2]" 1
103 1 26 VAL H 1 39 PRO HD3 . . 4.780 3.620 2.728 4.821 0.041 14 0 "[ . 1 . 2]" 1
104 1 26 VAL HA 1 27 LEU H . . 2.850 2.278 2.142 2.563 . 0 0 "[ . 1 . 2]" 1
105 1 26 VAL HA 1 27 LEU QD . . 4.570 4.030 3.642 4.286 . 0 0 "[ . 1 . 2]" 1
106 1 26 VAL HB 1 27 LEU H . . 3.680 3.511 2.078 4.177 0.497 10 0 "[ . 1 . 2]" 1
107 1 26 VAL HB 1 39 PRO QD . . 5.350 4.613 2.172 6.505 1.155 20 1 "[ . 1 . +]" 1
108 1 26 VAL QG 1 27 LEU H . . 3.960 2.557 1.865 3.688 . 0 0 "[ . 1 . 2]" 1
109 1 26 VAL QG 1 28 CYS H . . 5.500 4.676 4.113 5.432 . 0 0 "[ . 1 . 2]" 1
110 1 26 VAL QG 1 28 CYS QB . . 5.280 5.314 4.670 5.923 0.643 13 4 "[ - . 1 + * *]" 1
111 1 26 VAL QG 1 39 PRO QD . . 3.880 2.622 1.854 3.714 . 0 0 "[ . 1 . 2]" 1
112 1 26 VAL QG 1 39 PRO QG . . 3.760 2.599 1.866 3.885 0.125 20 0 "[ . 1 . 2]" 1
113 1 26 VAL QG 1 46 VAL QG . . 4.560 3.337 2.598 3.896 . 0 0 "[ . 1 . 2]" 1
114 1 26 VAL QG 1 60 PHE HD2 . . 5.500 3.248 2.214 3.908 . 0 0 "[ . 1 . 2]" 1
115 1 26 VAL QG 1 60 PHE QE . . 4.830 1.918 1.680 2.425 . 0 0 "[ . 1 . 2]" 1
116 1 26 VAL QG 1 62 ARG HA . . 5.500 2.895 2.005 3.472 . 0 0 "[ . 1 . 2]" 1
117 1 26 VAL QG 1 62 ARG QD . . 5.280 4.150 1.963 4.880 . 0 0 "[ . 1 . 2]" 1
118 1 26 VAL QG 1 65 LYS QB . . 5.280 1.934 1.707 2.499 . 0 0 "[ . 1 . 2]" 1
119 1 26 VAL QG 1 65 LYS QE . . 4.630 3.413 2.059 4.767 0.137 13 0 "[ . 1 . 2]" 1
120 1 27 LEU H 1 27 LEU QD . . 3.980 3.062 2.829 3.453 . 0 0 "[ . 1 . 2]" 1
121 1 27 LEU H 1 27 LEU HG . . 4.220 2.534 1.885 4.344 0.124 10 0 "[ . 1 . 2]" 1
122 1 27 LEU HA 1 27 LEU MD1 . . 3.990 3.499 2.363 3.853 . 0 0 "[ . 1 . 2]" 1
123 1 27 LEU HA 1 27 LEU QD . . 3.240 3.161 1.878 3.424 0.184 7 0 "[ . 1 . 2]" 1
124 1 27 LEU HA 1 27 LEU MD2 . . 3.990 3.646 1.931 4.045 0.055 11 0 "[ . 1 . 2]" 1
125 1 27 LEU HA 1 28 CYS H . . 2.960 2.397 2.218 2.526 . 0 0 "[ . 1 . 2]" 1
126 1 27 LEU HA 1 28 CYS HA . . 4.780 4.296 4.265 4.392 . 0 0 "[ . 1 . 2]" 1
127 1 27 LEU HA 1 34 GLY QA . . 5.500 5.276 3.960 6.423 0.923 18 1 "[ . 1 . + 2]" 1
128 1 27 LEU HA 1 36 GLY QA . . 3.750 2.392 2.092 2.757 . 0 0 "[ . 1 . 2]" 1
129 1 27 LEU HA 1 65 LYS QE . . 5.500 7.532 5.716 9.165 3.665 14 19 "[*** *********+*-****]" 1
130 1 27 LEU QB 1 27 LEU QD . . 2.740 1.810 1.725 2.030 . 0 0 "[ . 1 . 2]" 1
131 1 27 LEU QB 1 28 CYS H . . 3.820 2.741 2.336 3.737 . 0 0 "[ . 1 . 2]" 1
132 1 27 LEU QD 1 28 CYS H . . 3.580 3.163 2.571 3.619 0.039 6 0 "[ . 1 . 2]" 1
133 1 27 LEU QD 1 28 CYS HA . . 4.490 4.110 3.758 4.678 0.188 5 0 "[ . 1 . 2]" 1
134 1 27 LEU QD 1 29 PRO HA . . 4.590 3.462 2.748 4.781 0.191 12 0 "[ . 1 . 2]" 1
135 1 27 LEU QD 1 29 PRO QD . . 5.280 4.181 3.412 5.083 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU QD 1 36 GLY H . . 5.240 3.801 2.531 5.382 0.142 6 0 "[ . 1 . 2]" 1
137 1 27 LEU QD 1 36 GLY QA . . 5.040 2.906 1.725 3.259 . 0 0 "[ . 1 . 2]" 1
138 1 28 CYS H 1 28 CYS HB2 . . 3.230 2.184 2.049 2.793 . 0 0 "[ . 1 . 2]" 1
139 1 28 CYS H 1 28 CYS HB3 . . 3.230 3.080 2.583 3.541 0.311 19 0 "[ . 1 . 2]" 1
140 1 28 CYS H 1 35 ALA H . . 4.230 3.069 2.187 3.977 . 0 0 "[ . 1 . 2]" 1
141 1 28 CYS H 1 35 ALA MB . . 3.750 2.353 1.853 3.215 . 0 0 "[ . 1 . 2]" 1
142 1 28 CYS H 1 36 GLY H . . 5.140 2.736 1.806 4.740 . 0 0 "[ . 1 . 2]" 1
143 1 28 CYS H 1 36 GLY QA . . 4.020 3.768 3.245 3.890 . 0 0 "[ . 1 . 2]" 1
144 1 28 CYS H 1 37 LEU HG . . 5.500 5.224 4.421 5.602 0.102 10 0 "[ . 1 . 2]" 1
145 1 28 CYS HA 1 29 PRO HG2 . . 5.500 4.237 4.159 4.343 . 0 0 "[ . 1 . 2]" 1
146 1 28 CYS QB 1 29 PRO HG2 . . 5.340 4.954 4.565 5.354 0.014 1 0 "[ . 1 . 2]" 1
147 1 28 CYS QB 1 30 ARG H . . 3.450 2.904 2.313 3.591 0.141 19 0 "[ . 1 . 2]" 1
148 1 28 CYS QB 1 34 GLY QA . . 4.570 3.452 2.115 4.342 . 0 0 "[ . 1 . 2]" 1
149 1 28 CYS QB 1 35 ALA H . . 2.980 2.308 1.684 3.088 0.108 17 0 "[ . 1 . 2]" 1
150 1 28 CYS QB 1 36 GLY H . . 5.340 3.847 2.968 5.362 0.022 1 0 "[ . 1 . 2]" 1
151 1 28 CYS QB 1 36 GLY QA . . 5.180 5.046 4.535 5.206 0.026 13 0 "[ . 1 . 2]" 1
152 1 28 CYS QB 1 37 LEU QD . . 5.340 4.637 4.143 4.953 . 0 0 "[ . 1 . 2]" 1
153 1 28 CYS HB2 1 35 ALA H . . 3.550 2.495 1.866 3.451 . 0 0 "[ . 1 . 2]" 1
154 1 28 CYS HB2 1 35 ALA MB . . 3.870 1.998 1.763 3.314 . 0 0 "[ . 1 . 2]" 1
155 1 28 CYS HB3 1 35 ALA H . . 3.550 3.043 1.918 3.657 0.107 17 0 "[ . 1 . 2]" 1
156 1 28 CYS HB3 1 35 ALA MB . . 3.870 3.261 2.627 3.935 0.065 19 0 "[ . 1 . 2]" 1
157 1 29 PRO QB 1 30 ARG H . . 4.010 3.520 2.993 3.734 . 0 0 "[ . 1 . 2]" 1
158 1 29 PRO HG2 1 30 ARG H . . 3.840 2.937 2.095 3.380 . 0 0 "[ . 1 . 2]" 1
159 1 29 PRO HG2 1 30 ARG QD . . 3.810 3.333 2.050 3.931 0.121 19 0 "[ . 1 . 2]" 1
160 1 30 ARG H 1 30 ARG HB2 . . 2.960 2.368 2.160 2.556 . 0 0 "[ . 1 . 2]" 1
161 1 30 ARG H 1 30 ARG QD . . 3.680 2.896 1.864 3.744 0.064 14 0 "[ . 1 . 2]" 1
162 1 30 ARG H 1 30 ARG HG2 . . 4.170 3.155 2.082 4.249 0.079 9 0 "[ . 1 . 2]" 1
163 1 30 ARG H 1 30 ARG QG . . 3.360 2.771 2.061 3.555 0.195 12 0 "[ . 1 . 2]" 1
164 1 30 ARG H 1 30 ARG HG3 . . 4.170 3.555 2.761 3.916 . 0 0 "[ . 1 . 2]" 1
165 1 30 ARG H 1 31 PRO QD . . 4.940 4.326 4.275 4.367 . 0 0 "[ . 1 . 2]" 1
166 1 30 ARG HA 1 31 PRO HD2 . . 3.100 2.277 2.057 2.588 . 0 0 "[ . 1 . 2]" 1
167 1 30 ARG HA 1 31 PRO HD3 . . 3.100 2.280 2.251 2.390 . 0 0 "[ . 1 . 2]" 1
168 1 30 ARG HA 1 33 CYS QB . . 5.340 4.633 4.156 5.197 . 0 0 "[ . 1 . 2]" 1
169 1 30 ARG HB2 1 33 CYS H . . 4.400 3.342 2.623 4.553 0.153 5 0 "[ . 1 . 2]" 1
170 1 30 ARG HB2 1 33 CYS QB . . 4.030 2.138 1.766 2.842 . 0 0 "[ . 1 . 2]" 1
171 1 30 ARG HB3 1 31 PRO QD . . 4.500 2.374 1.900 2.888 . 0 0 "[ . 1 . 2]" 1
172 1 30 ARG HB3 1 33 CYS H . . 4.610 3.189 2.071 4.498 . 0 0 "[ . 1 . 2]" 1
173 1 30 ARG HB3 1 33 CYS QB . . 4.510 2.836 1.978 3.996 . 0 0 "[ . 1 . 2]" 1
174 1 31 PRO HA 1 33 CYS H . . 4.700 4.499 3.604 5.096 0.396 11 0 "[ . 1 . 2]" 1
175 1 32 GLY H 1 33 CYS H . . 4.320 2.822 2.058 3.697 . 0 0 "[ . 1 . 2]" 1
176 1 33 CYS H 1 33 CYS HB2 . . 3.330 2.900 2.443 3.550 0.220 14 0 "[ . 1 . 2]" 1
177 1 33 CYS H 1 33 CYS QB . . 2.880 2.272 2.060 2.790 . 0 0 "[ . 1 . 2]" 1
178 1 33 CYS H 1 33 CYS HB3 . . 3.330 2.412 2.093 2.918 . 0 0 "[ . 1 . 2]" 1
179 1 33 CYS HA 1 35 ALA H . . 5.070 4.358 3.714 5.277 0.207 6 0 "[ . 1 . 2]" 1
180 1 33 CYS QB 1 34 GLY QA . . 5.340 4.285 3.808 4.645 . 0 0 "[ . 1 . 2]" 1
181 1 33 CYS QB 1 35 ALA H . . 4.300 3.904 3.101 4.504 0.204 19 0 "[ . 1 . 2]" 1
182 1 34 GLY H 1 35 ALA H . . 5.200 3.127 1.757 4.147 . 0 0 "[ . 1 . 2]" 1
183 1 34 GLY QA 1 35 ALA H . . 3.370 2.617 2.226 2.909 . 0 0 "[ . 1 . 2]" 1
184 1 35 ALA H 1 35 ALA MB . . 2.880 2.218 2.071 2.620 . 0 0 "[ . 1 . 2]" 1
185 1 35 ALA H 1 36 GLY H . . 5.500 3.241 2.070 4.593 . 0 0 "[ . 1 . 2]" 1
186 1 35 ALA H 1 37 LEU QD . . 5.500 4.807 4.297 5.504 0.004 18 0 "[ . 1 . 2]" 1
187 1 35 ALA MB 1 36 GLY H . . 3.270 2.485 1.971 3.699 0.429 17 0 "[ . 1 . 2]" 1
188 1 35 ALA MB 1 37 LEU QD . . 5.500 2.203 1.672 2.732 . 0 0 "[ . 1 . 2]" 1
189 1 35 ALA MB 1 46 VAL QG . . 5.440 5.420 5.127 5.638 0.198 18 0 "[ . 1 . 2]" 1
190 1 37 LEU QD 1 46 VAL QG . . 5.440 3.385 3.007 4.322 . 0 0 "[ . 1 . 2]" 1
191 1 37 LEU QD 1 48 CYS HA . . 3.120 2.344 1.775 2.692 . 0 0 "[ . 1 . 2]" 1
192 1 37 LEU QD 1 48 CYS HB2 . . 5.500 3.771 2.987 4.226 . 0 0 "[ . 1 . 2]" 1
193 1 37 LEU QD 1 48 CYS HB3 . . 5.500 4.362 3.473 4.797 . 0 0 "[ . 1 . 2]" 1
194 1 37 LEU QD 1 60 PHE HD1 . . 5.500 5.438 4.734 5.525 0.025 14 0 "[ . 1 . 2]" 1
195 1 37 LEU QD 1 60 PHE QE . . 5.500 3.451 2.866 3.665 . 0 0 "[ . 1 . 2]" 1
196 1 37 LEU HG 1 48 CYS QB . . 5.340 5.035 4.443 5.412 0.072 12 0 "[ . 1 . 2]" 1
197 1 38 LEU H 1 38 LEU QB . . 3.130 2.204 2.050 2.338 . 0 0 "[ . 1 . 2]" 1
198 1 38 LEU H 1 38 LEU QD . . 4.510 3.392 2.322 3.819 . 0 0 "[ . 1 . 2]" 1
199 1 38 LEU HA 1 38 LEU QD . . 3.380 2.160 1.856 2.785 . 0 0 "[ . 1 . 2]" 1
200 1 38 LEU HA 1 39 PRO HD2 . . 3.570 1.953 1.910 2.093 . 0 0 "[ . 1 . 2]" 1
201 1 38 LEU HA 1 39 PRO QD . . 3.060 1.866 1.851 1.930 . 0 0 "[ . 1 . 2]" 1
202 1 38 LEU HA 1 39 PRO HD3 . . 3.570 2.391 2.262 2.492 . 0 0 "[ . 1 . 2]" 1
203 1 38 LEU QB 1 38 LEU QD . . 2.840 1.938 1.767 2.082 . 0 0 "[ . 1 . 2]" 1
204 1 38 LEU QB 1 39 PRO QD . . 5.180 3.531 3.093 3.703 . 0 0 "[ . 1 . 2]" 1
205 1 38 LEU QD 1 39 PRO QD . . 4.560 2.348 1.890 3.350 . 0 0 "[ . 1 . 2]" 1
206 1 38 LEU QD 1 39 PRO QG . . 4.540 3.530 2.821 4.427 . 0 0 "[ . 1 . 2]" 1
207 1 39 PRO HA 1 40 GLU H . . 2.670 2.414 2.229 2.715 0.045 14 0 "[ . 1 . 2]" 1
208 1 39 PRO HA 1 46 VAL QG . . 4.410 3.242 2.485 4.050 . 0 0 "[ . 1 . 2]" 1
209 1 39 PRO QB 1 40 GLU H . . 2.880 2.541 1.906 2.975 0.095 16 0 "[ . 1 . 2]" 1
210 1 39 PRO QB 1 46 VAL QG . . 3.630 1.817 1.615 2.395 . 0 0 "[ . 1 . 2]" 1
211 1 39 PRO HB2 1 40 GLU H . . 3.600 2.625 1.922 3.123 . 0 0 "[ . 1 . 2]" 1
212 1 39 PRO HB2 1 46 VAL QG . . 5.500 1.982 1.753 2.710 . 0 0 "[ . 1 . 2]" 1
213 1 39 PRO HB3 1 40 GLU H . . 3.600 3.478 3.154 3.739 0.139 16 0 "[ . 1 . 2]" 1
214 1 39 PRO HB3 1 46 VAL QG . . 5.500 2.158 1.786 2.723 . 0 0 "[ . 1 . 2]" 1
215 1 39 PRO QD 1 46 VAL QG . . 4.600 3.673 3.076 4.401 . 0 0 "[ . 1 . 2]" 1
216 1 39 PRO QG 1 46 VAL QG . . 3.780 2.646 1.707 3.897 0.117 16 0 "[ . 1 . 2]" 1
217 1 39 PRO QG 1 62 ARG HA . . 4.700 3.957 3.005 5.065 0.365 14 0 "[ . 1 . 2]" 1
218 1 39 PRO QG 1 62 ARG QD . . 3.410 2.571 1.921 3.149 . 0 0 "[ . 1 . 2]" 1
219 1 39 PRO QG 1 62 ARG QG . . 5.180 3.017 1.771 4.300 . 0 0 "[ . 1 . 2]" 1
220 1 39 PRO HG2 1 46 VAL QG . . 5.210 3.217 2.109 4.439 . 0 0 "[ . 1 . 2]" 1
221 1 39 PRO HG3 1 46 VAL QG . . 5.210 2.830 1.769 4.316 . 0 0 "[ . 1 . 2]" 1
222 1 40 GLU H 1 40 GLU HB2 . . 2.910 2.340 2.093 3.574 0.664 10 2 "[ . + -. 2]" 1
223 1 40 GLU H 1 40 GLU HG2 . . 4.540 3.341 2.073 4.355 . 0 0 "[ . 1 . 2]" 1
224 1 40 GLU H 1 40 GLU QG . . 3.950 2.833 2.060 3.407 . 0 0 "[ . 1 . 2]" 1
225 1 40 GLU H 1 40 GLU HG3 . . 4.540 3.475 2.799 4.122 . 0 0 "[ . 1 . 2]" 1
226 1 40 GLU H 1 41 PRO QD . . 4.840 4.330 4.301 4.354 . 0 0 "[ . 1 . 2]" 1
227 1 40 GLU H 1 46 VAL QG . . 5.500 2.774 1.876 3.480 . 0 0 "[ . 1 . 2]" 1
228 1 40 GLU HA 1 41 PRO HD2 . . 3.120 2.546 2.421 2.658 . 0 0 "[ . 1 . 2]" 1
229 1 40 GLU HA 1 41 PRO HD3 . . 3.120 2.369 2.306 2.435 . 0 0 "[ . 1 . 2]" 1
230 1 40 GLU HB2 1 45 LYS H . . 5.500 5.204 4.740 6.129 0.629 14 1 "[ . 1 +. 2]" 1
231 1 40 GLU HB2 1 46 VAL QG . . 4.970 3.461 1.969 5.362 0.392 14 0 "[ . 1 . 2]" 1
232 1 40 GLU HB3 1 41 PRO QD . . 3.230 2.073 1.924 3.394 0.164 14 0 "[ . 1 . 2]" 1
233 1 40 GLU HB3 1 42 ASP H . . 5.500 2.526 2.194 4.115 . 0 0 "[ . 1 . 2]" 1
234 1 40 GLU QG 1 41 PRO QD . . 4.800 2.688 1.916 3.667 . 0 0 "[ . 1 . 2]" 1
235 1 41 PRO QB 1 42 ASP H . . 3.950 3.779 3.703 3.853 . 0 0 "[ . 1 . 2]" 1
236 1 41 PRO QD 1 42 ASP H . . 3.740 3.052 2.922 3.208 . 0 0 "[ . 1 . 2]" 1
237 1 41 PRO HG2 1 42 ASP H . . 4.010 3.503 3.305 3.717 . 0 0 "[ . 1 . 2]" 1
238 1 42 ASP H 1 43 GLN H . . 4.320 4.031 3.808 4.232 . 0 0 "[ . 1 . 2]" 1
239 1 42 ASP H 1 43 GLN HA . . 5.500 4.655 4.459 4.781 . 0 0 "[ . 1 . 2]" 1
240 1 42 ASP H 1 45 LYS H . . 5.500 5.329 5.040 5.517 0.017 20 0 "[ . 1 . 2]" 1
241 1 42 ASP H 1 62 ARG QD . . 5.340 4.312 3.056 7.195 1.855 20 3 "[ . 1 - * +]" 1
242 1 42 ASP H 1 62 ARG QG . . 5.340 5.737 3.893 6.767 1.427 8 12 "[****. + 1 ** *-* **]" 1
243 1 42 ASP HA 1 43 GLN H . . 3.220 2.162 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
244 1 42 ASP QB 1 43 GLN H . . 4.380 3.597 3.317 3.867 . 0 0 "[ . 1 . 2]" 1
245 1 42 ASP HB2 1 43 GLN H . . 5.150 4.342 3.719 4.636 . 0 0 "[ . 1 . 2]" 1
246 1 42 ASP HB3 1 43 GLN H . . 5.150 3.903 3.512 4.459 . 0 0 "[ . 1 . 2]" 1
247 1 43 GLN H 1 43 GLN HB2 . . 3.730 3.566 3.496 3.622 . 0 0 "[ . 1 . 2]" 1
248 1 43 GLN H 1 43 GLN QB . . 3.180 2.420 2.197 2.820 . 0 0 "[ . 1 . 2]" 1
249 1 43 GLN H 1 43 GLN HB3 . . 3.730 2.468 2.219 2.975 . 0 0 "[ . 1 . 2]" 1
250 1 43 GLN H 1 43 GLN QG . . 3.470 2.677 1.888 3.472 0.002 18 0 "[ . 1 . 2]" 1
251 1 43 GLN H 1 44 ARG H . . 5.500 2.691 2.458 2.767 . 0 0 "[ . 1 . 2]" 1
252 1 43 GLN H 1 44 ARG QD . . 5.340 4.924 3.802 5.447 0.107 1 0 "[ . 1 . 2]" 1
253 1 43 GLN H 1 45 LYS H . . 5.500 4.939 4.651 5.177 . 0 0 "[ . 1 . 2]" 1
254 1 43 GLN H 1 46 VAL QG . . 4.450 4.388 4.137 4.748 0.298 4 0 "[ . 1 . 2]" 1
255 1 43 GLN HA 1 43 GLN QG . . 3.460 3.376 3.302 3.426 . 0 0 "[ . 1 . 2]" 1
256 1 43 GLN HA 1 45 LYS H . . 4.990 3.779 3.564 4.179 . 0 0 "[ . 1 . 2]" 1
257 1 43 GLN HA 1 62 ARG QG . . 3.380 3.634 1.978 4.910 1.530 17 12 "[****. * 1 ** **+ -*]" 1
258 1 43 GLN QB 1 45 LYS H . . 5.340 4.941 4.605 5.246 . 0 0 "[ . 1 . 2]" 1
259 1 43 GLN QB 1 46 VAL QG . . 4.360 3.490 3.028 3.882 . 0 0 "[ . 1 . 2]" 1
260 1 43 GLN QB 1 62 ARG QD . . 4.380 3.422 2.479 4.630 0.250 20 0 "[ . 1 . 2]" 1
261 1 43 GLN QB 1 62 ARG QG . . 4.150 2.970 1.760 4.182 0.032 15 0 "[ . 1 . 2]" 1
262 1 43 GLN HB2 1 62 ARG H . . 3.340 2.407 2.073 3.062 . 0 0 "[ . 1 . 2]" 1
263 1 43 GLN HB3 1 62 ARG H . . 3.340 3.220 2.423 4.043 0.703 19 2 "[ . - 1 . +2]" 1
264 1 43 GLN QG 1 44 ARG H . . 5.340 2.747 2.314 3.535 . 0 0 "[ . 1 . 2]" 1
265 1 43 GLN QG 1 45 LYS H . . 5.340 4.890 4.493 5.338 . 0 0 "[ . 1 . 2]" 1
266 1 44 ARG H 1 44 ARG HG2 . . 5.500 3.580 1.871 4.548 . 0 0 "[ . 1 . 2]" 1
267 1 44 ARG H 1 44 ARG HG3 . . 5.500 3.458 1.846 4.336 . 0 0 "[ . 1 . 2]" 1
268 1 44 ARG H 1 45 LYS H . . 5.500 3.038 2.594 3.199 . 0 0 "[ . 1 . 2]" 1
269 1 44 ARG HA 1 44 ARG QD . . 4.310 3.368 2.250 4.247 . 0 0 "[ . 1 . 2]" 1
270 1 44 ARG HA 1 44 ARG QG . . 3.670 2.506 2.018 3.342 . 0 0 "[ . 1 . 2]" 1
271 1 44 ARG QB 1 44 ARG QD . . 3.180 2.152 1.929 2.506 . 0 0 "[ . 1 . 2]" 1
272 1 44 ARG QB 1 68 TYR QE . . 5.340 4.872 4.656 5.133 . 0 0 "[ . 1 . 2]" 1
273 1 44 ARG HB2 1 45 LYS H . . 5.500 3.004 2.229 4.125 . 0 0 "[ . 1 . 2]" 1
274 1 44 ARG HB3 1 45 LYS H . . 5.500 3.208 2.567 3.924 . 0 0 "[ . 1 . 2]" 1
275 1 45 LYS H 1 45 LYS HB2 . . 3.810 3.097 2.845 3.518 . 0 0 "[ . 1 . 2]" 1
276 1 45 LYS H 1 45 LYS QB . . 3.120 2.770 2.696 2.824 . 0 0 "[ . 1 . 2]" 1
277 1 45 LYS H 1 45 LYS HB3 . . 3.810 3.213 2.865 3.600 . 0 0 "[ . 1 . 2]" 1
278 1 45 LYS H 1 45 LYS QG . . 5.050 4.197 3.979 4.376 . 0 0 "[ . 1 . 2]" 1
279 1 45 LYS H 1 46 VAL QG . . 3.610 3.474 3.056 3.765 0.155 18 0 "[ . 1 . 2]" 1
280 1 45 LYS H 1 68 TYR QE . . 4.900 4.278 3.974 4.633 . 0 0 "[ . 1 . 2]" 1
281 1 45 LYS HA 1 45 LYS QG . . 3.680 2.241 2.009 2.548 . 0 0 "[ . 1 . 2]" 1
282 1 45 LYS HA 1 46 VAL H . . 2.820 2.166 2.142 2.180 . 0 0 "[ . 1 . 2]" 1
283 1 45 LYS HA 1 46 VAL QG . . 5.120 4.050 3.270 4.270 . 0 0 "[ . 1 . 2]" 1
284 1 45 LYS HA 1 59 ALA MB . . 5.390 3.437 3.188 3.791 . 0 0 "[ . 1 . 2]" 1
285 1 45 LYS HA 1 68 TYR QD . . 4.540 4.102 3.629 4.525 . 0 0 "[ . 1 . 2]" 1
286 1 45 LYS HA 1 68 TYR QE . . 5.500 2.769 2.003 3.306 . 0 0 "[ . 1 . 2]" 1
287 1 45 LYS QB 1 45 LYS QD . . 3.300 2.104 1.943 2.280 . 0 0 "[ . 1 . 2]" 1
288 1 45 LYS QB 1 68 TYR QE . . 5.340 4.417 2.921 4.976 . 0 0 "[ . 1 . 2]" 1
289 1 45 LYS QE 1 59 ALA MB . . 3.130 2.878 1.748 3.347 0.217 6 0 "[ . 1 . 2]" 1
290 1 45 LYS QG 1 46 VAL H . . 3.770 3.388 2.891 3.815 0.045 11 0 "[ . 1 . 2]" 1
291 1 45 LYS QG 1 59 ALA MB . . 4.640 3.049 2.253 3.788 . 0 0 "[ . 1 . 2]" 1
292 1 45 LYS HG2 1 59 ALA MB . . 5.300 3.631 2.599 4.636 . 0 0 "[ . 1 . 2]" 1
293 1 45 LYS HG3 1 59 ALA MB . . 5.300 3.800 2.294 5.215 . 0 0 "[ . 1 . 2]" 1
294 1 46 VAL H 1 46 VAL HB . . 3.900 2.683 2.440 3.892 . 0 0 "[ . 1 . 2]" 1
295 1 46 VAL H 1 46 VAL QG . . 3.170 2.869 2.043 3.077 . 0 0 "[ . 1 . 2]" 1
296 1 46 VAL H 1 47 THR H . . 4.800 4.222 4.118 4.457 . 0 0 "[ . 1 . 2]" 1
297 1 46 VAL H 1 59 ALA MB . . 5.500 2.668 2.252 3.224 . 0 0 "[ . 1 . 2]" 1
298 1 46 VAL H 1 60 PHE H . . 4.110 3.563 3.346 3.881 . 0 0 "[ . 1 . 2]" 1
299 1 46 VAL H 1 60 PHE HD1 . . 5.500 5.528 5.499 5.555 0.055 19 0 "[ . 1 . 2]" 1
300 1 46 VAL H 1 68 TYR QD . . 4.360 3.771 3.418 4.132 . 0 0 "[ . 1 . 2]" 1
301 1 46 VAL H 1 68 TYR QE . . 5.320 3.592 3.130 4.057 . 0 0 "[ . 1 . 2]" 1
302 1 46 VAL HA 1 46 VAL QG . . 3.100 2.114 1.966 2.457 . 0 0 "[ . 1 . 2]" 1
303 1 46 VAL HA 1 47 THR H . . 2.680 2.147 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
304 1 46 VAL HB 1 47 THR H . . 4.580 4.298 3.125 4.529 . 0 0 "[ . 1 . 2]" 1
305 1 46 VAL HB 1 59 ALA HA . . 5.500 5.043 4.753 5.588 0.088 19 0 "[ . 1 . 2]" 1
306 1 46 VAL HB 1 60 PHE H . . 4.690 3.383 2.936 4.595 . 0 0 "[ . 1 . 2]" 1
307 1 46 VAL HB 1 60 PHE HD1 . . 5.500 4.742 4.436 5.557 0.057 19 0 "[ . 1 . 2]" 1
308 1 46 VAL HB 1 60 PHE HD2 . . 5.500 4.897 4.341 5.570 0.070 19 0 "[ . 1 . 2]" 1
309 1 46 VAL QG 1 47 THR H . . 3.150 2.992 2.754 3.603 0.453 10 0 "[ . 1 . 2]" 1
310 1 46 VAL QG 1 48 CYS H . . 5.440 4.188 3.811 4.698 . 0 0 "[ . 1 . 2]" 1
311 1 46 VAL QG 1 59 ALA MB . . 5.440 3.595 2.817 3.941 . 0 0 "[ . 1 . 2]" 1
312 1 46 VAL QG 1 60 PHE H . . 3.990 2.549 1.841 2.882 . 0 0 "[ . 1 . 2]" 1
313 1 46 VAL QG 1 60 PHE HD1 . . 5.500 3.010 2.622 3.205 . 0 0 "[ . 1 . 2]" 1
314 1 46 VAL QG 1 60 PHE HD2 . . 5.500 3.475 2.793 3.946 . 0 0 "[ . 1 . 2]" 1
315 1 46 VAL QG 1 60 PHE QE . . 3.050 2.367 2.201 2.641 . 0 0 "[ . 1 . 2]" 1
316 1 46 VAL QG 1 62 ARG H . . 3.930 2.809 2.508 3.441 . 0 0 "[ . 1 . 2]" 1
317 1 46 VAL QG 1 62 ARG HA . . 5.500 3.541 3.256 3.987 . 0 0 "[ . 1 . 2]" 1
318 1 46 VAL QG 1 62 ARG QB . . 4.090 2.064 1.808 2.463 . 0 0 "[ . 1 . 2]" 1
319 1 46 VAL QG 1 62 ARG QD . . 3.740 3.073 1.942 3.961 0.221 15 0 "[ . 1 . 2]" 1
320 1 46 VAL QG 1 63 GLU H . . 5.440 4.604 4.299 5.178 . 0 0 "[ . 1 . 2]" 1
321 1 46 VAL QG 1 68 TYR QD . . 4.840 4.655 3.690 4.880 0.040 12 0 "[ . 1 . 2]" 1
322 1 46 VAL QG 1 68 TYR QE . . 5.500 4.730 3.875 5.001 . 0 0 "[ . 1 . 2]" 1
323 1 47 THR H 1 47 THR HB . . 3.200 2.708 2.491 2.922 . 0 0 "[ . 1 . 2]" 1
324 1 47 THR H 1 48 CYS H . . 4.820 4.569 4.465 4.678 . 0 0 "[ . 1 . 2]" 1
325 1 47 THR H 1 59 ALA HA . . 5.090 4.748 4.496 5.003 . 0 0 "[ . 1 . 2]" 1
326 1 47 THR H 1 60 PHE H . . 5.440 5.079 4.905 5.287 . 0 0 "[ . 1 . 2]" 1
327 1 47 THR HA 1 48 CYS H . . 2.990 2.279 2.221 2.403 . 0 0 "[ . 1 . 2]" 1
328 1 47 THR HA 1 48 CYS HA . . 5.500 4.336 4.309 4.352 . 0 0 "[ . 1 . 2]" 1
329 1 47 THR HA 1 49 GLU H . . 5.480 3.545 3.353 3.813 . 0 0 "[ . 1 . 2]" 1
330 1 47 THR HA 1 59 ALA H . . 5.500 4.319 4.141 4.664 . 0 0 "[ . 1 . 2]" 1
331 1 47 THR HA 1 59 ALA HA . . 2.980 2.380 1.989 2.568 . 0 0 "[ . 1 . 2]" 1
332 1 47 THR HA 1 59 ALA MB . . 3.500 2.574 2.163 2.812 . 0 0 "[ . 1 . 2]" 1
333 1 47 THR HA 1 60 PHE H . . 4.100 3.870 3.431 4.127 0.027 10 0 "[ . 1 . 2]" 1
334 1 47 THR HB 1 48 CYS H . . 4.380 3.974 3.492 4.350 . 0 0 "[ . 1 . 2]" 1
335 1 47 THR HB 1 49 GLU QB . . 5.340 3.645 2.331 5.318 . 0 0 "[ . 1 . 2]" 1
336 1 47 THR HB 1 49 GLU HG2 . . 5.500 4.447 3.127 5.521 0.021 17 0 "[ . 1 . 2]" 1
337 1 47 THR HB 1 49 GLU HG3 . . 5.500 4.701 3.884 5.559 0.059 14 0 "[ . 1 . 2]" 1
338 1 47 THR HB 1 59 ALA MB . . 5.500 4.640 4.170 4.998 . 0 0 "[ . 1 . 2]" 1
339 1 47 THR MG 1 48 CYS H . . 3.400 2.445 1.861 2.915 . 0 0 "[ . 1 . 2]" 1
340 1 47 THR MG 1 48 CYS HA . . 5.500 4.262 3.968 4.595 . 0 0 "[ . 1 . 2]" 1
341 1 47 THR MG 1 49 GLU H . . 3.710 1.813 1.677 1.892 . 0 0 "[ . 1 . 2]" 1
342 1 47 THR MG 1 49 GLU QB . . 4.900 2.089 1.812 3.103 . 0 0 "[ . 1 . 2]" 1
343 1 47 THR MG 1 49 GLU HG2 . . 5.260 2.715 1.829 3.527 . 0 0 "[ . 1 . 2]" 1
344 1 47 THR MG 1 49 GLU QG . . 4.410 2.268 1.756 3.231 . 0 0 "[ . 1 . 2]" 1
345 1 47 THR MG 1 49 GLU HG3 . . 5.260 2.944 1.830 4.337 . 0 0 "[ . 1 . 2]" 1
346 1 47 THR MG 1 57 GLY H . . 5.220 3.765 3.387 4.333 . 0 0 "[ . 1 . 2]" 1
347 1 47 THR MG 1 57 GLY QA . . 5.340 3.744 3.035 4.723 . 0 0 "[ . 1 . 2]" 1
348 1 47 THR MG 1 58 PHE H . . 5.050 4.323 3.550 4.734 . 0 0 "[ . 1 . 2]" 1
349 1 47 THR MG 1 59 ALA HA . . 4.000 3.664 3.120 3.909 . 0 0 "[ . 1 . 2]" 1
350 1 47 THR MG 1 59 ALA MB . . 5.000 3.420 2.875 3.874 . 0 0 "[ . 1 . 2]" 1
351 1 47 THR MG 1 60 PHE H . . 5.500 5.391 4.921 5.537 0.037 18 0 "[ . 1 . 2]" 1
352 1 48 CYS H 1 48 CYS HB2 . . 3.700 3.040 2.138 3.542 . 0 0 "[ . 1 . 2]" 1
353 1 48 CYS H 1 48 CYS QB . . 3.110 2.146 2.037 2.311 . 0 0 "[ . 1 . 2]" 1
354 1 48 CYS H 1 48 CYS HB3 . . 3.700 2.269 2.058 3.325 . 0 0 "[ . 1 . 2]" 1
355 1 48 CYS H 1 49 GLU H . . 4.670 2.368 1.885 2.616 . 0 0 "[ . 1 . 2]" 1
356 1 48 CYS H 1 56 CYS H . . 5.500 4.505 3.694 5.414 . 0 0 "[ . 1 . 2]" 1
357 1 48 CYS H 1 57 GLY H . . 5.500 4.196 3.669 4.741 . 0 0 "[ . 1 . 2]" 1
358 1 48 CYS H 1 59 ALA HA . . 3.740 3.209 2.953 3.618 . 0 0 "[ . 1 . 2]" 1
359 1 48 CYS H 1 60 PHE HD1 . . 3.970 3.698 3.151 4.298 0.328 3 0 "[ . 1 . 2]" 1
360 1 48 CYS HA 1 60 PHE QE . . 4.490 2.444 1.964 3.061 . 0 0 "[ . 1 . 2]" 1
361 1 48 CYS QB 1 56 CYS H . . 4.720 3.171 1.941 4.387 . 0 0 "[ . 1 . 2]" 1
362 1 48 CYS QB 1 57 GLY H . . 4.490 3.758 2.109 4.639 0.149 18 0 "[ . 1 . 2]" 1
363 1 48 CYS QB 1 60 PHE H . . 5.340 4.983 4.598 5.299 . 0 0 "[ . 1 . 2]" 1
364 1 48 CYS QB 1 60 PHE QE . . 5.340 2.510 1.976 3.737 . 0 0 "[ . 1 . 2]" 1
365 1 48 CYS HB2 1 49 GLU H . . 4.330 4.358 4.025 4.558 0.228 5 0 "[ . 1 . 2]" 1
366 1 48 CYS HB2 1 60 PHE HD1 . . 5.500 3.806 3.139 4.377 . 0 0 "[ . 1 . 2]" 1
367 1 48 CYS HB3 1 49 GLU H . . 4.330 3.500 3.057 4.151 . 0 0 "[ . 1 . 2]" 1
368 1 48 CYS HB3 1 60 PHE HD1 . . 5.500 3.951 2.989 5.132 . 0 0 "[ . 1 . 2]" 1
369 1 49 GLU H 1 49 GLU HB2 . . 3.770 2.976 2.127 3.898 0.128 19 0 "[ . 1 . 2]" 1
370 1 49 GLU H 1 49 GLU QB . . 3.160 2.323 2.048 2.798 . 0 0 "[ . 1 . 2]" 1
371 1 49 GLU H 1 49 GLU HB3 . . 3.770 2.795 2.068 3.713 . 0 0 "[ . 1 . 2]" 1
372 1 49 GLU H 1 49 GLU QG . . 3.270 2.996 2.080 3.842 0.572 17 3 "[ * 1 -. + 2]" 1
373 1 49 GLU H 1 50 GLY H . . 4.820 3.847 2.159 4.642 . 0 0 "[ . 1 . 2]" 1
374 1 49 GLU H 1 55 GLY HA2 . . 5.500 3.593 3.095 4.083 . 0 0 "[ . 1 . 2]" 1
375 1 49 GLU H 1 55 GLY HA3 . . 5.500 4.768 3.968 5.504 0.004 18 0 "[ . 1 . 2]" 1
376 1 49 GLU H 1 58 PHE H . . 5.500 5.386 4.965 5.552 0.052 18 0 "[ . 1 . 2]" 1
377 1 49 GLU HA 1 49 GLU QG . . 3.690 2.767 2.237 3.315 . 0 0 "[ . 1 . 2]" 1
378 1 49 GLU HA 1 55 GLY HA2 . . 4.290 2.039 1.939 2.498 . 0 0 "[ . 1 . 2]" 1
379 1 49 GLU HA 1 55 GLY QA . . 3.570 1.970 1.766 2.402 . 0 0 "[ . 1 . 2]" 1
380 1 49 GLU HA 1 55 GLY HA3 . . 4.290 2.909 1.994 3.602 . 0 0 "[ . 1 . 2]" 1
381 1 49 GLU HA 1 57 GLY H . . 5.500 5.000 4.296 5.429 . 0 0 "[ . 1 . 2]" 1
382 1 49 GLU QB 1 50 GLY H . . 4.300 2.775 2.002 3.745 . 0 0 "[ . 1 . 2]" 1
383 1 49 GLU QB 1 55 GLY QA . . 4.760 2.339 1.674 3.624 . 0 0 "[ . 1 . 2]" 1
384 1 49 GLU HB2 1 50 GLY H . . 4.950 3.369 2.104 4.224 . 0 0 "[ . 1 . 2]" 1
385 1 49 GLU HB3 1 50 GLY H . . 4.950 3.384 2.028 4.417 . 0 0 "[ . 1 . 2]" 1
386 1 49 GLU QG 1 55 GLY H . . 5.340 5.151 3.635 6.085 0.745 7 5 "[ *. + 1 - **2]" 1
387 1 49 GLU QG 1 55 GLY QA . . 4.760 2.907 1.761 3.606 . 0 0 "[ . 1 . 2]" 1
388 1 52 ASN QB 1 54 LEU H . . 4.220 3.487 2.215 4.363 0.143 9 0 "[ . 1 . 2]" 1
389 1 53 GLY H 1 54 LEU H . . 3.560 2.634 1.769 4.036 0.476 20 0 "[ . 1 . 2]" 1
390 1 54 LEU H 1 54 LEU HB2 . . 3.100 2.503 2.050 3.486 0.386 7 0 "[ . 1 . 2]" 1
391 1 54 LEU H 1 54 LEU HB3 . . 3.510 3.529 2.999 3.759 0.249 9 0 "[ . 1 . 2]" 1
392 1 54 LEU H 1 54 LEU QD . . 4.610 2.652 1.857 3.415 . 0 0 "[ . 1 . 2]" 1
393 1 54 LEU H 1 55 GLY H . . 4.470 4.154 1.968 4.650 0.180 18 0 "[ . 1 . 2]" 1
394 1 54 LEU HA 1 54 LEU QD . . 3.050 2.419 1.922 3.127 0.077 7 0 "[ . 1 . 2]" 1
395 1 54 LEU HB2 1 55 GLY H . . 3.760 3.481 2.277 4.122 0.362 20 0 "[ . 1 . 2]" 1
396 1 54 LEU HB3 1 54 LEU MD1 . . 3.630 2.635 2.279 3.184 . 0 0 "[ . 1 . 2]" 1
397 1 54 LEU HB3 1 54 LEU QD . . 3.020 2.103 1.935 2.338 . 0 0 "[ . 1 . 2]" 1
398 1 54 LEU HB3 1 54 LEU MD2 . . 3.630 2.370 1.964 3.189 . 0 0 "[ . 1 . 2]" 1
399 1 54 LEU HB3 1 55 GLY H . . 4.060 2.771 2.065 3.905 . 0 0 "[ . 1 . 2]" 1
400 1 54 LEU HB3 1 56 CYS H . . 5.500 5.113 3.942 6.226 0.726 7 1 "[ . + 1 . 2]" 1
401 1 54 LEU QD 1 55 GLY H . . 4.670 3.383 1.901 4.292 . 0 0 "[ . 1 . 2]" 1
402 1 55 GLY H 1 56 CYS H . . 4.740 3.746 2.988 4.562 . 0 0 "[ . 1 . 2]" 1
403 1 55 GLY QA 1 56 CYS H . . 2.820 2.241 2.184 2.375 . 0 0 "[ . 1 . 2]" 1
404 1 55 GLY QA 1 56 CYS QB . . 4.760 4.205 4.050 4.482 . 0 0 "[ . 1 . 2]" 1
405 1 55 GLY QA 1 57 GLY H . . 4.140 3.547 3.223 3.884 . 0 0 "[ . 1 . 2]" 1
406 1 56 CYS H 1 56 CYS HB2 . . 3.670 2.407 2.114 3.547 . 0 0 "[ . 1 . 2]" 1
407 1 56 CYS H 1 56 CYS HB3 . . 3.670 3.495 2.750 3.632 . 0 0 "[ . 1 . 2]" 1
408 1 56 CYS H 1 57 GLY H . . 3.390 2.465 2.133 2.696 . 0 0 "[ . 1 . 2]" 1
409 1 56 CYS H 1 58 PHE H . . 5.030 4.129 3.621 4.589 . 0 0 "[ . 1 . 2]" 1
410 1 56 CYS QB 1 57 GLY H . . 3.500 2.584 2.192 3.453 . 0 0 "[ . 1 . 2]" 1
411 1 56 CYS HB2 1 57 GLY H . . 4.220 2.678 2.211 3.717 . 0 0 "[ . 1 . 2]" 1
412 1 56 CYS HB3 1 57 GLY H . . 4.220 3.475 3.054 4.098 . 0 0 "[ . 1 . 2]" 1
413 1 57 GLY H 1 58 PHE H . . 4.000 2.207 1.814 2.615 . 0 0 "[ . 1 . 2]" 1
414 1 57 GLY H 1 58 PHE HA . . 5.500 4.787 4.545 4.967 . 0 0 "[ . 1 . 2]" 1
415 1 57 GLY H 1 58 PHE QB . . 5.140 4.401 3.985 4.730 . 0 0 "[ . 1 . 2]" 1
416 1 58 PHE H 1 58 PHE HB2 . . 3.670 3.098 2.892 3.239 . 0 0 "[ . 1 . 2]" 1
417 1 58 PHE H 1 58 PHE QB . . 2.830 2.569 2.393 2.751 . 0 0 "[ . 1 . 2]" 1
418 1 58 PHE H 1 58 PHE HB3 . . 3.670 2.743 2.533 2.975 . 0 0 "[ . 1 . 2]" 1
419 1 58 PHE H 1 58 PHE HD1 . . 5.500 4.566 4.426 4.787 . 0 0 "[ . 1 . 2]" 1
420 1 58 PHE H 1 58 PHE HD2 . . 5.500 5.218 5.059 5.327 . 0 0 "[ . 1 . 2]" 1
421 1 58 PHE H 1 59 ALA H . . 4.790 4.069 3.861 4.301 . 0 0 "[ . 1 . 2]" 1
422 1 58 PHE H 1 59 ALA MB . . 5.500 5.215 5.007 5.458 . 0 0 "[ . 1 . 2]" 1
423 1 58 PHE HA 1 59 ALA H . . 2.870 2.160 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
424 1 58 PHE QB 1 58 PHE HD1 . . 3.050 2.474 2.390 2.517 . 0 0 "[ . 1 . 2]" 1
425 1 58 PHE HD1 1 59 ALA H . . 4.000 4.001 3.751 4.060 0.060 11 0 "[ . 1 . 2]" 1
426 1 58 PHE HD1 1 60 PHE H . . 4.390 4.821 4.505 4.984 0.594 16 6 "[ *. * * .+-* 2]" 1
427 1 58 PHE HD1 1 60 PHE HA . . 5.000 3.956 3.804 4.047 . 0 0 "[ . 1 . 2]" 1
428 1 58 PHE HD1 1 60 PHE QB . . 4.130 3.583 3.241 3.771 . 0 0 "[ . 1 . 2]" 1
429 1 58 PHE HD1 1 60 PHE HD1 . . 4.210 4.327 4.077 4.417 0.207 7 0 "[ . 1 . 2]" 1
430 1 58 PHE HD1 1 67 ALA HA . . 3.760 4.018 3.955 4.086 0.326 18 0 "[ . 1 . 2]" 1
431 1 58 PHE QE 1 60 PHE HA . . 4.560 3.378 3.083 3.562 . 0 0 "[ . 1 . 2]" 1
432 1 58 PHE QE 1 60 PHE QB . . 3.850 3.927 3.460 4.039 0.189 18 0 "[ . 1 . 2]" 1
433 1 58 PHE QE 1 61 CYS H . . 5.500 5.390 4.980 5.526 0.026 5 0 "[ . 1 . 2]" 1
434 1 58 PHE QE 1 67 ALA H . . 5.500 5.251 4.801 5.509 0.009 16 0 "[ . 1 . 2]" 1
435 1 58 PHE QE 1 67 ALA HA . . 3.060 2.662 2.141 2.958 . 0 0 "[ . 1 . 2]" 1
436 1 58 PHE QE 1 67 ALA MB . . 3.080 2.763 2.374 2.929 . 0 0 "[ . 1 . 2]" 1
437 1 58 PHE QE 1 68 TYR H . . 4.760 1.923 1.872 2.272 . 0 0 "[ . 1 . 2]" 1
438 1 59 ALA H 1 59 ALA MB . . 2.770 2.089 2.027 2.230 . 0 0 "[ . 1 . 2]" 1
439 1 59 ALA H 1 60 PHE H . . 5.500 4.628 4.592 4.642 . 0 0 "[ . 1 . 2]" 1
440 1 59 ALA HA 1 60 PHE H . . 2.980 2.318 2.212 2.418 . 0 0 "[ . 1 . 2]" 1
441 1 59 ALA HA 1 60 PHE HD1 . . 5.500 2.686 2.454 3.058 . 0 0 "[ . 1 . 2]" 1
442 1 59 ALA MB 1 60 PHE H . . 3.500 2.651 2.337 2.933 . 0 0 "[ . 1 . 2]" 1
443 1 59 ALA MB 1 60 PHE QB . . 5.290 4.653 4.563 4.748 . 0 0 "[ . 1 . 2]" 1
444 1 59 ALA MB 1 60 PHE HD1 . . 4.670 4.001 3.784 4.262 . 0 0 "[ . 1 . 2]" 1
445 1 59 ALA MB 1 60 PHE QE . . 5.500 4.934 4.727 5.315 . 0 0 "[ . 1 . 2]" 1
446 1 59 ALA MB 1 68 TYR H . . 5.500 5.079 4.874 5.236 . 0 0 "[ . 1 . 2]" 1
447 1 59 ALA MB 1 68 TYR QD . . 4.390 3.254 2.914 3.633 . 0 0 "[ . 1 . 2]" 1
448 1 60 PHE H 1 60 PHE HD1 . . 3.350 2.137 1.884 2.437 . 0 0 "[ . 1 . 2]" 1
449 1 60 PHE H 1 68 TYR H . . 5.500 5.058 4.887 5.217 . 0 0 "[ . 1 . 2]" 1
450 1 60 PHE HA 1 60 PHE HD1 . . 4.140 3.822 3.728 4.012 . 0 0 "[ . 1 . 2]" 1
451 1 60 PHE HA 1 61 CYS H . . 3.190 2.642 2.561 2.674 . 0 0 "[ . 1 . 2]" 1
452 1 60 PHE HA 1 67 ALA HA . . 3.230 3.264 3.104 3.445 0.215 15 0 "[ . 1 . 2]" 1
453 1 60 PHE HA 1 67 ALA MB . . 4.670 4.604 4.515 4.739 0.069 15 0 "[ . 1 . 2]" 1
454 1 60 PHE HA 1 68 TYR H . . 3.040 2.265 2.110 2.410 . 0 0 "[ . 1 . 2]" 1
455 1 60 PHE QB 1 61 CYS H . . 3.430 2.129 2.063 2.285 . 0 0 "[ . 1 . 2]" 1
456 1 60 PHE QB 1 65 LYS H . . 5.500 5.405 5.365 5.467 . 0 0 "[ . 1 . 2]" 1
457 1 60 PHE QB 1 67 ALA HA . . 4.790 3.000 2.816 3.259 . 0 0 "[ . 1 . 2]" 1
458 1 60 PHE QB 1 67 ALA MB . . 5.330 4.279 4.141 4.466 . 0 0 "[ . 1 . 2]" 1
459 1 60 PHE QB 1 68 TYR QD . . 5.500 4.611 4.371 4.745 . 0 0 "[ . 1 . 2]" 1
460 1 60 PHE HD2 1 61 CYS H . . 3.480 3.422 3.018 3.534 0.054 17 0 "[ . 1 . 2]" 1
461 1 60 PHE HD2 1 62 ARG HA . . 4.180 3.375 2.897 3.550 . 0 0 "[ . 1 . 2]" 1
462 1 60 PHE HD2 1 65 LYS H . . 4.900 4.534 3.981 4.743 . 0 0 "[ . 1 . 2]" 1
463 1 60 PHE HD2 1 65 LYS HA . . 3.360 2.602 2.176 2.869 . 0 0 "[ . 1 . 2]" 1
464 1 60 PHE HD2 1 66 GLU H . . 5.050 4.095 3.414 4.486 . 0 0 "[ . 1 . 2]" 1
465 1 60 PHE QE 1 62 ARG HA . . 3.930 3.433 2.515 3.806 . 0 0 "[ . 1 . 2]" 1
466 1 60 PHE QE 1 65 LYS HA . . 4.230 3.689 2.655 4.171 . 0 0 "[ . 1 . 2]" 1
467 1 61 CYS H 1 61 CYS HB2 . . 3.280 2.989 2.850 3.172 . 0 0 "[ . 1 . 2]" 1
468 1 61 CYS H 1 61 CYS HB3 . . 3.130 2.443 2.329 2.571 . 0 0 "[ . 1 . 2]" 1
469 1 61 CYS H 1 66 GLU H . . 3.930 3.252 3.160 3.340 . 0 0 "[ . 1 . 2]" 1
470 1 61 CYS H 1 68 TYR H . . 3.950 3.760 3.469 3.978 0.028 10 0 "[ . 1 . 2]" 1
471 1 61 CYS H 1 68 TYR QD . . 4.610 3.938 3.461 4.217 . 0 0 "[ . 1 . 2]" 1
472 1 61 CYS HA 1 62 ARG H . . 3.150 2.147 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
473 1 61 CYS HA 1 63 GLU H . . 4.690 3.730 3.436 4.042 . 0 0 "[ . 1 . 2]" 1
474 1 61 CYS HB2 1 62 ARG H . . 4.380 4.309 4.139 4.412 0.032 1 0 "[ . 1 . 2]" 1
475 1 61 CYS HB2 1 68 TYR H . . 5.500 5.048 4.652 5.312 . 0 0 "[ . 1 . 2]" 1
476 1 61 CYS HB2 1 68 TYR QD . . 3.860 3.484 2.995 3.808 . 0 0 "[ . 1 . 2]" 1
477 1 61 CYS HB2 1 68 TYR QE . . 5.500 4.256 3.662 4.750 . 0 0 "[ . 1 . 2]" 1
478 1 61 CYS HB3 1 64 CYS H . . 4.620 3.311 3.020 3.800 . 0 0 "[ . 1 . 2]" 1
479 1 61 CYS HB3 1 65 LYS H . . 5.500 4.203 4.011 4.561 . 0 0 "[ . 1 . 2]" 1
480 1 61 CYS HB3 1 66 GLU H . . 4.280 3.104 2.811 3.375 . 0 0 "[ . 1 . 2]" 1
481 1 61 CYS HB3 1 68 TYR H . . 5.500 5.195 4.920 5.544 0.044 5 0 "[ . 1 . 2]" 1
482 1 61 CYS HB3 1 68 TYR QD . . 4.600 4.717 4.174 5.097 0.497 5 0 "[ . 1 . 2]" 1
483 1 62 ARG H 1 62 ARG QB . . 3.640 2.246 2.050 2.511 . 0 0 "[ . 1 . 2]" 1
484 1 62 ARG H 1 62 ARG HD2 . . 5.500 4.832 3.891 5.664 0.164 13 0 "[ . 1 . 2]" 1
485 1 62 ARG H 1 62 ARG HD3 . . 5.500 4.654 3.767 5.647 0.147 15 0 "[ . 1 . 2]" 1
486 1 62 ARG H 1 62 ARG QG . . 4.080 3.314 2.066 4.021 . 0 0 "[ . 1 . 2]" 1
487 1 62 ARG H 1 63 GLU H . . 3.660 2.637 2.522 2.960 . 0 0 "[ . 1 . 2]" 1
488 1 62 ARG H 1 65 LYS HA . . 5.060 4.566 4.350 4.731 . 0 0 "[ . 1 . 2]" 1
489 1 62 ARG H 1 68 TYR QD . . 5.500 5.246 4.651 5.443 . 0 0 "[ . 1 . 2]" 1
490 1 62 ARG HA 1 62 ARG HD2 . . 5.500 4.448 1.991 5.161 . 0 0 "[ . 1 . 2]" 1
491 1 62 ARG HA 1 62 ARG HD3 . . 5.500 4.767 2.988 5.497 . 0 0 "[ . 1 . 2]" 1
492 1 62 ARG QB 1 63 GLU H . . 3.870 3.075 2.299 3.676 . 0 0 "[ . 1 . 2]" 1
493 1 62 ARG QB 1 64 CYS H . . 5.340 5.177 4.992 5.396 0.056 14 0 "[ . 1 . 2]" 1
494 1 62 ARG HB2 1 63 GLU H . . 4.650 4.036 3.439 4.229 . 0 0 "[ . 1 . 2]" 1
495 1 62 ARG HB3 1 63 GLU H . . 4.650 3.257 2.327 4.050 . 0 0 "[ . 1 . 2]" 1
496 1 62 ARG HD2 1 63 GLU H . . 5.500 5.045 3.315 5.533 0.033 4 0 "[ . 1 . 2]" 1
497 1 62 ARG HD3 1 63 GLU H . . 5.500 4.780 4.043 5.511 0.011 20 0 "[ . 1 . 2]" 1
498 1 62 ARG QG 1 63 GLU H . . 4.050 3.040 2.290 4.082 0.032 20 0 "[ . 1 . 2]" 1
499 1 62 ARG HG2 1 63 GLU H . . 4.690 3.390 2.384 4.863 0.173 20 0 "[ . 1 . 2]" 1
500 1 62 ARG HG3 1 63 GLU H . . 4.690 3.842 2.311 5.012 0.322 12 0 "[ . 1 . 2]" 1
501 1 63 GLU H 1 64 CYS H . . 3.230 2.909 2.623 3.299 0.069 8 0 "[ . 1 . 2]" 1
502 1 63 GLU H 1 65 LYS H . . 5.500 3.490 3.386 3.613 . 0 0 "[ . 1 . 2]" 1
503 1 63 GLU H 1 65 LYS HA . . 5.160 4.916 4.821 5.029 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLU HA 1 63 GLU HG2 . . 3.900 2.808 2.025 3.731 . 0 0 "[ . 1 . 2]" 1
505 1 63 GLU HA 1 63 GLU QG . . 3.260 2.388 2.007 2.915 . 0 0 "[ . 1 . 2]" 1
506 1 63 GLU HA 1 63 GLU HG3 . . 3.900 3.058 2.290 3.591 . 0 0 "[ . 1 . 2]" 1
507 1 63 GLU HA 1 65 LYS HG2 . . 5.500 5.518 5.459 5.560 0.060 12 0 "[ . 1 . 2]" 1
508 1 63 GLU HB2 1 65 LYS H . . 5.500 4.790 4.479 5.126 . 0 0 "[ . 1 . 2]" 1
509 1 63 GLU HB3 1 65 LYS H . . 5.500 4.451 4.012 4.982 . 0 0 "[ . 1 . 2]" 1
510 1 64 CYS H 1 64 CYS HB2 . . 3.880 3.678 3.600 3.736 . 0 0 "[ . 1 . 2]" 1
511 1 64 CYS H 1 64 CYS QB . . 3.390 2.969 2.821 3.059 . 0 0 "[ . 1 . 2]" 1
512 1 64 CYS H 1 64 CYS HB3 . . 3.880 3.135 2.947 3.268 . 0 0 "[ . 1 . 2]" 1
513 1 64 CYS H 1 65 LYS H . . 3.130 2.074 1.937 2.290 . 0 0 "[ . 1 . 2]" 1
514 1 64 CYS H 1 65 LYS HA . . 4.590 4.147 4.023 4.403 . 0 0 "[ . 1 . 2]" 1
515 1 64 CYS H 1 65 LYS QB . . 5.340 4.911 4.805 5.051 . 0 0 "[ . 1 . 2]" 1
516 1 64 CYS H 1 65 LYS HG2 . . 5.240 4.434 4.276 4.692 . 0 0 "[ . 1 . 2]" 1
517 1 64 CYS H 1 73 CYS QB . . 5.340 4.783 4.376 5.135 . 0 0 "[ . 1 . 2]" 1
518 1 64 CYS HA 1 64 CYS QB . . 2.630 2.175 2.171 2.179 . 0 0 "[ . 1 . 2]" 1
519 1 64 CYS QB 1 73 CYS H . . 4.650 5.220 5.142 5.287 0.637 16 19 "[* *************+***-]" 1
520 1 64 CYS QB 1 73 CYS HA . . 5.340 3.802 3.441 4.145 . 0 0 "[ . 1 . 2]" 1
521 1 64 CYS QB 1 73 CYS QB . . 2.880 2.591 2.195 2.951 0.071 5 0 "[ . 1 . 2]" 1
522 1 64 CYS HB2 1 65 LYS H . . 5.500 4.331 4.270 4.406 . 0 0 "[ . 1 . 2]" 1
523 1 64 CYS HB3 1 65 LYS H . . 5.500 4.475 4.404 4.516 . 0 0 "[ . 1 . 2]" 1
524 1 65 LYS H 1 65 LYS QB . . 3.520 3.058 3.012 3.104 . 0 0 "[ . 1 . 2]" 1
525 1 65 LYS H 1 65 LYS HG2 . . 3.700 2.946 2.867 3.128 . 0 0 "[ . 1 . 2]" 1
526 1 65 LYS H 1 66 GLU H . . 3.700 2.865 2.843 2.915 . 0 0 "[ . 1 . 2]" 1
527 1 65 LYS H 1 66 GLU QB . . 5.500 4.662 4.553 4.845 . 0 0 "[ . 1 . 2]" 1
528 1 65 LYS QB 1 65 LYS QE . . 4.020 2.604 2.061 3.114 . 0 0 "[ . 1 . 2]" 1
529 1 65 LYS HB2 1 65 LYS QE . . 4.820 2.684 2.091 3.256 . 0 0 "[ . 1 . 2]" 1
530 1 65 LYS HB3 1 65 LYS QE . . 4.820 3.538 3.081 3.968 . 0 0 "[ . 1 . 2]" 1
531 1 65 LYS QE 1 66 GLU HA . . 5.500 5.459 5.176 5.544 0.044 15 0 "[ . 1 . 2]" 1
532 1 65 LYS HG2 1 66 GLU H . . 5.300 4.409 4.366 4.539 . 0 0 "[ . 1 . 2]" 1
533 1 65 LYS HG3 1 66 GLU H . . 5.500 4.210 4.123 4.381 . 0 0 "[ . 1 . 2]" 1
534 1 65 LYS HG3 1 66 GLU HA . . 4.750 4.678 4.486 4.852 0.102 16 0 "[ . 1 . 2]" 1
535 1 66 GLU H 1 66 GLU QB . . 2.880 2.472 2.370 2.695 . 0 0 "[ . 1 . 2]" 1
536 1 66 GLU H 1 66 GLU HG2 . . 5.500 3.892 2.712 4.860 . 0 0 "[ . 1 . 2]" 1
537 1 66 GLU H 1 66 GLU HG3 . . 5.500 4.169 3.282 4.720 . 0 0 "[ . 1 . 2]" 1
538 1 66 GLU HA 1 66 GLU QG . . 3.430 2.530 2.052 3.251 . 0 0 "[ . 1 . 2]" 1
539 1 66 GLU HA 1 67 ALA H . . 2.790 2.564 2.506 2.598 . 0 0 "[ . 1 . 2]" 1
540 1 66 GLU QB 1 67 ALA H . . 2.620 2.284 2.009 2.563 . 0 0 "[ . 1 . 2]" 1
541 1 66 GLU QB 1 67 ALA MB . . 5.500 3.634 3.415 4.000 . 0 0 "[ . 1 . 2]" 1
542 1 67 ALA H 1 67 ALA MB . . 2.780 2.163 2.027 2.234 . 0 0 "[ . 1 . 2]" 1
543 1 67 ALA HA 1 68 TYR H . . 2.840 2.173 2.150 2.203 . 0 0 "[ . 1 . 2]" 1
544 1 67 ALA MB 1 68 TYR H . . 3.350 3.014 2.890 3.109 . 0 0 "[ . 1 . 2]" 1
545 1 68 TYR H 1 68 TYR QB . . 3.340 2.152 2.115 2.196 . 0 0 "[ . 1 . 2]" 1
546 1 68 TYR H 1 68 TYR QD . . 4.280 3.971 3.822 4.084 . 0 0 "[ . 1 . 2]" 1
547 1 68 TYR QD 1 70 GLU QG . . 4.920 3.165 1.887 3.775 . 0 0 "[ . 1 . 2]" 1
548 1 68 TYR QE 1 70 GLU QG . . 4.830 3.435 2.018 4.365 . 0 0 "[ . 1 . 2]" 1
549 1 68 TYR QE 1 71 GLY H . . 5.500 4.780 3.590 5.529 0.029 1 0 "[ . 1 . 2]" 1
550 1 69 HIS QB 1 70 GLU H . . 4.020 3.277 2.738 3.942 . 0 0 "[ . 1 . 2]" 1
551 1 69 HIS HD2 1 70 GLU H . . 4.970 4.044 1.899 4.905 . 0 0 "[ . 1 . 2]" 1
552 1 69 HIS HD2 1 72 GLU H . . 5.500 4.497 2.557 5.308 . 0 0 "[ . 1 . 2]" 1
553 1 69 HIS HD2 1 73 CYS H . . 5.500 5.284 4.682 5.564 0.064 16 0 "[ . 1 . 2]" 1
554 1 69 HIS HE1 1 72 GLU H . . 5.500 5.113 3.134 5.533 0.033 5 0 "[ . 1 . 2]" 1
555 1 69 HIS HE1 1 72 GLU HA . . 5.500 4.555 2.262 5.407 . 0 0 "[ . 1 . 2]" 1
556 1 69 HIS HE1 1 73 CYS H . . 4.600 3.649 2.645 4.226 . 0 0 "[ . 1 . 2]" 1
557 1 69 HIS HE1 1 73 CYS HA . . 3.530 2.220 1.936 3.608 0.078 10 0 "[ . 1 . 2]" 1
558 1 69 HIS HE1 1 73 CYS QB . . 4.470 3.363 2.851 4.690 0.220 17 0 "[ . 1 . 2]" 1
559 1 69 HIS HE1 1 74 SER H . . 5.500 5.256 4.518 5.483 . 0 0 "[ . 1 . 2]" 1
560 1 70 GLU HA 1 70 GLU QB . . 2.610 2.435 2.325 2.530 . 0 0 "[ . 1 . 2]" 1
561 1 70 GLU HA 1 70 GLU HG2 . . 3.500 2.722 2.098 3.272 . 0 0 "[ . 1 . 2]" 1
562 1 70 GLU HA 1 70 GLU QG . . 2.800 2.292 2.038 2.504 . 0 0 "[ . 1 . 2]" 1
563 1 70 GLU HA 1 70 GLU HG3 . . 3.500 2.718 2.062 3.377 . 0 0 "[ . 1 . 2]" 1
564 1 70 GLU QB 1 71 GLY H . . 4.010 3.739 3.473 3.933 . 0 0 "[ . 1 . 2]" 1
565 1 70 GLU QB 1 71 GLY QA . . 4.330 3.985 3.831 4.283 . 0 0 "[ . 1 . 2]" 1
566 1 70 GLU HB2 1 71 GLY H . . 4.670 4.248 3.841 4.599 . 0 0 "[ . 1 . 2]" 1
567 1 70 GLU HB3 1 71 GLY H . . 4.670 4.229 3.621 4.495 . 0 0 "[ . 1 . 2]" 1
568 1 71 GLY H 1 72 GLU H . . 4.460 3.362 2.626 3.925 . 0 0 "[ . 1 . 2]" 1
569 1 71 GLY QA 1 72 GLU H . . 2.770 2.204 2.110 2.452 . 0 0 "[ . 1 . 2]" 1
570 1 71 GLY HA2 1 72 GLU H . . 3.440 3.373 2.254 3.564 0.124 10 0 "[ . 1 . 2]" 1
571 1 71 GLY HA3 1 72 GLU H . . 3.440 2.293 2.138 3.479 0.039 16 0 "[ . 1 . 2]" 1
572 1 72 GLU H 1 72 GLU QB . . 2.950 2.964 2.730 3.178 0.228 11 0 "[ . 1 . 2]" 1
573 1 72 GLU H 1 72 GLU HG2 . . 5.490 4.318 2.143 5.269 . 0 0 "[ . 1 . 2]" 1
574 1 72 GLU H 1 72 GLU QG . . 4.720 3.800 2.126 4.385 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU H 1 72 GLU HG3 . . 5.490 4.456 3.179 5.075 . 0 0 "[ . 1 . 2]" 1
576 1 72 GLU HA 1 72 GLU HG2 . . 4.060 3.015 2.069 3.765 . 0 0 "[ . 1 . 2]" 1
577 1 72 GLU HA 1 72 GLU QG . . 3.440 2.430 2.015 3.392 . 0 0 "[ . 1 . 2]" 1
578 1 72 GLU HA 1 72 GLU HG3 . . 4.060 2.933 2.035 4.178 0.118 1 0 "[ . 1 . 2]" 1
579 1 72 GLU HA 1 73 CYS H . . 2.740 2.366 2.224 2.480 . 0 0 "[ . 1 . 2]" 1
580 1 72 GLU QB 1 73 CYS H . . 3.430 3.142 2.485 3.716 0.286 16 0 "[ . 1 . 2]" 1
581 1 72 GLU QB 1 74 SER H . . 4.730 3.187 2.129 4.591 . 0 0 "[ . 1 . 2]" 1
582 1 72 GLU HB2 1 74 SER H . . 5.500 4.545 2.597 6.230 0.730 18 2 "[ . - 1 . + 2]" 1
583 1 72 GLU HB3 1 74 SER H . . 5.500 3.576 2.140 5.351 . 0 0 "[ . 1 . 2]" 1
584 1 72 GLU QG 1 73 CYS H . . 4.130 3.045 1.836 4.299 0.169 19 0 "[ . 1 . 2]" 1
585 1 72 GLU HG2 1 73 CYS H . . 4.920 3.608 2.396 5.131 0.211 19 0 "[ . 1 . 2]" 1
586 1 72 GLU HG2 1 74 SER H . . 5.500 4.369 3.154 5.497 . 0 0 "[ . 1 . 2]" 1
587 1 72 GLU HG3 1 73 CYS H . . 4.920 3.641 1.854 4.904 . 0 0 "[ . 1 . 2]" 1
588 1 72 GLU HG3 1 74 SER H . . 5.500 4.502 2.707 5.580 0.080 18 0 "[ . 1 . 2]" 1
589 1 73 CYS H 1 73 CYS HB2 . . 3.670 2.718 2.607 2.879 . 0 0 "[ . 1 . 2]" 1
590 1 73 CYS H 1 73 CYS QB . . 3.060 2.637 2.556 2.767 . 0 0 "[ . 1 . 2]" 1
591 1 73 CYS H 1 73 CYS HB3 . . 3.670 3.564 3.544 3.680 0.010 16 0 "[ . 1 . 2]" 1
592 1 73 CYS HB2 1 74 SER H . . 4.110 2.626 2.000 4.218 0.108 18 0 "[ . 1 . 2]" 1
593 1 73 CYS HB3 1 74 SER H . . 4.110 3.692 3.291 4.125 0.015 10 0 "[ . 1 . 2]" 1
594 1 74 SER H 1 74 SER QB . . 2.790 2.379 2.052 2.893 0.103 11 0 "[ . 1 . 2]" 1
595 1 74 SER H 1 75 ALA H . . 3.790 2.683 2.355 3.072 . 0 0 "[ . 1 . 2]" 1
596 1 74 SER H 1 75 ALA MB . . 4.560 4.297 3.936 4.650 0.090 15 0 "[ . 1 . 2]" 1
597 1 74 SER QB 1 75 ALA H . . 4.040 2.941 2.068 3.867 . 0 0 "[ . 1 . 2]" 1
598 1 74 SER HB2 1 75 ALA H . . 4.820 3.433 2.095 4.523 . 0 0 "[ . 1 . 2]" 1
599 1 74 SER HB3 1 75 ALA H . . 4.820 3.454 2.240 4.410 . 0 0 "[ . 1 . 2]" 1
600 1 75 ALA H 1 75 ALA MB . . 3.080 2.325 2.037 2.916 . 0 0 "[ . 1 . 2]" 1
601 1 75 ALA HA 1 76 VAL H . . 2.880 2.449 2.142 3.073 0.193 18 0 "[ . 1 . 2]" 1
602 1 75 ALA HA 1 76 VAL HB . . 4.840 4.681 4.316 5.119 0.279 18 0 "[ . 1 . 2]" 1
603 1 75 ALA MB 1 76 VAL H . . 4.030 3.215 2.581 3.709 . 0 0 "[ . 1 . 2]" 1
604 1 76 VAL H 1 76 VAL HB . . 3.110 2.501 2.228 3.074 . 0 0 "[ . 1 . 2]" 1
605 1 76 VAL H 1 76 VAL QG . . 3.070 2.598 1.802 3.212 0.142 11 0 "[ . 1 . 2]" 1
606 1 76 VAL H 1 77 PHE H . . 4.710 3.953 2.348 4.628 . 0 0 "[ . 1 . 2]" 1
607 1 76 VAL HA 1 76 VAL MG1 . . 3.620 2.737 2.050 3.161 . 0 0 "[ . 1 . 2]" 1
608 1 76 VAL HA 1 76 VAL QG . . 2.970 2.097 1.933 2.465 . 0 0 "[ . 1 . 2]" 1
609 1 76 VAL HA 1 76 VAL MG2 . . 3.620 2.217 1.980 2.595 . 0 0 "[ . 1 . 2]" 1
610 1 76 VAL HB 1 77 PHE H . . 4.340 3.839 2.844 4.173 . 0 0 "[ . 1 . 2]" 1
611 1 76 VAL QG 1 77 PHE H . . 3.510 2.462 1.788 3.605 0.095 19 0 "[ . 1 . 2]" 1
612 1 77 PHE H 1 77 PHE HB2 . . 3.510 2.817 2.132 3.554 0.044 12 0 "[ . 1 . 2]" 1
613 1 77 PHE H 1 77 PHE HB3 . . 3.510 3.157 2.280 3.572 0.062 11 0 "[ . 1 . 2]" 1
614 1 77 PHE HA 1 78 GLU H . . 3.380 2.407 2.141 2.841 . 0 0 "[ . 1 . 2]" 1
615 1 78 GLU HA 1 79 ALA H . . 3.440 2.621 2.140 3.499 0.059 9 0 "[ . 1 . 2]" 1
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