Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556044 | 2lqr RC | 15512 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqr
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 1144
_Distance_constraint_stats_list.Viol_count 2019
_Distance_constraint_stats_list.Viol_total 13160.385
_Distance_constraint_stats_list.Viol_max 2.161
_Distance_constraint_stats_list.Viol_rms 0.1500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0288
_Distance_constraint_stats_list.Viol_average_violations_only 0.3259
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.929 0.398 5 0 "[ . 1 . 2]"
1 6 THR 9.812 1.837 18 3 "[ -* 1 . + 2]"
1 7 ALA 8.241 1.664 5 2 "[ +- 1 . 2]"
1 8 PRO 20.569 0.707 6 11 "[* *.+* ** **.* * -]"
1 9 PHE 32.764 0.841 19 16 "[** ******* ***.* *+-]"
1 10 PHE 13.672 0.481 9 0 "[ . 1 . 2]"
1 11 GLU 7.632 0.620 18 3 "[ .* 1 .- + 2]"
1 12 MET 2.979 0.620 18 3 "[ .* 1 .- + 2]"
1 13 LYS 3.248 0.448 11 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 79.366 1.888 4 13 "[ * +**** * ***.* **]"
1 16 HIS 31.130 1.841 14 13 "[ * ***-* * **+.* **]"
1 17 TYR 51.095 1.888 4 20 [***+*****-**********]
1 18 LYS 18.016 1.510 1 9 "[+ * .**-*1 * . **]"
1 19 ILE 26.098 1.763 16 14 "[* * ** *-** **+** *]"
1 20 PHE 7.943 0.613 4 4 "[ +. -1 . ** 2]"
1 21 GLU 12.844 1.695 18 9 "[ * *.** *1 * *.* + 2]"
1 22 GLY 9.709 2.057 18 3 "[ -. *1 . + 2]"
1 23 MET 3.485 1.241 18 3 "[ -. *1 . + 2]"
1 24 PRO 9.493 0.441 15 0 "[ . 1 . 2]"
1 25 VAL 30.971 1.562 2 10 "[ + ** *- * ** .* *2]"
1 26 THR 5.148 2.161 9 1 "[ . +1 . 2]"
1 27 PHE 7.340 0.805 10 2 "[ . + . - 2]"
1 28 THR 27.721 2.161 9 7 "[ . *+** . *- *]"
1 29 CYS 1.427 0.523 12 1 "[ . 1 + . 2]"
1 30 ARG 3.424 0.368 17 0 "[ . 1 . 2]"
1 31 VAL 8.824 0.746 13 5 "[ ** 1 -+ . * 2]"
1 32 ALA 4.313 0.614 19 4 "[ - . * 1 * . +2]"
1 33 GLY 9.281 1.498 18 7 "[ * * 1 **-. +*2]"
1 34 ASN 2.248 1.837 18 1 "[ . 1 . + 2]"
1 35 PRO 8.807 1.998 5 3 "[ +* 1 - 2]"
1 36 LYS 0.881 0.626 15 1 "[ . 1 + 2]"
1 37 PRO 1.675 0.797 8 1 "[ . + 1 . 2]"
1 38 LYS 9.947 1.526 15 4 "[ - ** 1 + 2]"
1 39 ILE 66.625 2.049 6 18 "[ -***+****** *******]"
1 40 TYR 37.152 1.526 15 18 "[ -********** *+*****]"
1 41 TRP 63.205 1.714 8 20 [*******+**********-*]
1 42 PHE 10.512 0.579 8 2 "[ . + 1 . -2]"
1 43 LYS 22.930 0.579 8 2 "[ . + 1 . -2]"
1 44 ASP 0.624 0.177 16 0 "[ . 1 . 2]"
1 46 LYS 1.781 0.427 18 0 "[ . 1 . 2]"
1 47 GLN 0.526 0.397 18 0 "[ . 1 . 2]"
1 48 ILE 20.948 0.942 2 3 "[ + *. 1 . - 2]"
1 49 SER 1.061 0.115 2 0 "[ . 1 . 2]"
1 50 PRO 1.409 0.349 4 0 "[ . 1 . 2]"
1 51 LYS 4.148 0.218 5 0 "[ . 1 . 2]"
1 52 SER 0.043 0.028 4 0 "[ . 1 . 2]"
1 53 ASP 1.700 0.130 10 0 "[ . 1 . 2]"
1 54 HIS 7.528 1.204 4 2 "[ - +. 1 . 2]"
1 55 TYR 2.517 0.942 2 1 "[ + . 1 . 2]"
1 56 THR 22.997 1.017 8 20 [****-**+************]
1 57 ILE 34.908 1.017 8 20 [*******+**********-*]
1 58 GLN 8.838 0.603 5 5 "[ +* - .* * 2]"
1 59 ARG 23.143 0.758 12 14 "[ *****-*+ ***** *]"
1 60 ASP 7.427 0.593 5 9 "[ +-**** .** *]"
1 61 LEU 2.227 0.659 10 1 "[ . + . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 15.046 1.052 10 5 "[ -* + * . * 2]"
1 65 CYS 15.802 1.227 8 6 "[ * + 1** *- 2]"
1 66 SER 21.048 1.670 9 16 "[* **.***+*** -.*****]"
1 67 LEU 15.617 0.805 10 5 "[ * * + . -*2]"
1 68 HIS 0.951 0.298 9 0 "[ . 1 . 2]"
1 69 THR 9.995 1.204 4 2 "[ - +. 1 . 2]"
1 70 THR 3.938 0.441 15 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 10.475 0.870 10 9 "[ * ** *- + ** .* 2]"
1 73 THR 4.796 1.275 6 2 "[ - .+ 1 . 2]"
1 74 LEU 19.241 1.474 2 4 "[ + .** 1 .* 2]"
1 75 ASP 8.718 0.468 16 0 "[ . 1 . 2]"
1 76 ASP 6.256 1.338 8 4 "[ *. -+ 1 . *2]"
1 77 ASP 8.958 0.577 2 4 "[ + -* 1 .* 2]"
1 78 GLY 0.005 0.005 16 0 "[ . 1 . 2]"
1 79 ASN 7.824 0.496 18 0 "[ . 1 . 2]"
1 80 TYR 1.879 0.277 8 0 "[ . 1 . 2]"
1 81 THR 5.530 0.466 8 0 "[ . 1 . 2]"
1 82 ILE 80.222 1.714 8 20 [****-**+************]
1 83 MET 4.619 0.788 2 1 "[ + . 1 . 2]"
1 84 ALA 14.452 1.106 8 17 "[** ***-+ ****** ****]"
1 85 ALA 37.419 2.049 6 18 "[ ***-+****** *******]"
1 86 ASN 2.080 1.037 5 1 "[ + 1 . 2]"
1 87 PRO 6.778 1.998 5 3 "[ +* 1 - 2]"
1 88 GLN 10.676 1.819 5 2 "[ +- 1 . 2]"
1 89 GLY 2.356 0.904 5 1 "[ + 1 . 2]"
1 90 ARG 1.768 0.788 2 1 "[ + . 1 . 2]"
1 91 VAL 4.909 0.803 10 2 "[ .- + . 2]"
1 92 SER 6.563 0.851 8 1 "[ . + 1 . 2]"
1 93 CYS 5.259 0.713 8 1 "[ . + 1 . 2]"
1 94 THR 1.094 0.124 13 0 "[ . 1 . 2]"
1 95 GLY 15.115 1.172 20 13 "[ * *-*** * ***.* *+]"
1 96 ARG 11.173 1.204 19 2 "[ . - 1 . +2]"
1 97 LEU 29.317 1.562 2 10 "[ + ** *- * ** .* *2]"
1 98 MET 16.427 1.144 13 8 "[ * ** *- 1 + .* *2]"
1 99 VAL 10.701 0.627 13 5 "[ . ** 1 + .- *2]"
1 100 GLN 12.309 1.510 1 6 "[+ *-.* *1 . *]"
1 101 ALA 9.252 1.443 7 3 "[ *. + 1 .- 2]"
1 102 VAL 32.242 2.057 18 7 "[ *. * -1 * *. *+ 2]"
1 103 ASN 1.839 0.483 18 0 "[ . 1 . 2]"
1 104 GLN 5.790 0.533 12 1 "[ . 1 + . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ASN HA 1 5 ALA H . . 3.240 2.759 2.623 2.901 . 0 0 "[ . 1 . 2]" 1
2 1 4 ASN HB2 1 5 ALA H . . 5.080 4.645 4.356 4.787 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASN HB3 1 5 ALA H . . 4.360 4.065 3.989 4.225 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA H 1 5 ALA MB . . 3.140 2.776 2.747 2.907 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA H 1 6 THR H . . 5.130 4.393 4.374 4.412 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA HA 1 6 THR H . . 3.090 2.327 2.293 2.463 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA HA 1 34 ASN H . . 5.620 5.245 4.979 5.923 0.303 5 0 "[ . 1 . 2]" 1
8 1 5 ALA HA 1 34 ASN QB . . 5.500 3.214 2.822 5.239 . 0 0 "[ . 1 . 2]" 1
9 1 5 ALA HA 1 88 GLN QG . . 5.340 4.338 3.881 5.738 0.398 5 0 "[ . 1 . 2]" 1
10 1 5 ALA MB 1 6 THR H . . 3.390 2.470 2.205 2.536 . 0 0 "[ . 1 . 2]" 1
11 1 5 ALA MB 1 6 THR HA . . 5.500 4.035 3.936 4.240 . 0 0 "[ . 1 . 2]" 1
12 1 5 ALA MB 1 34 ASN QB . . 5.500 4.055 3.842 4.532 . 0 0 "[ . 1 . 2]" 1
13 1 5 ALA MB 1 35 PRO QD . . 5.500 3.068 2.101 3.524 . 0 0 "[ . 1 . 2]" 1
14 1 5 ALA MB 1 35 PRO QG . . 5.500 4.457 3.093 4.943 . 0 0 "[ . 1 . 2]" 1
15 1 5 ALA MB 1 88 GLN QE . . 4.750 3.127 2.548 4.869 0.119 5 0 "[ . 1 . 2]" 1
16 1 5 ALA MB 1 88 GLN QG . . 5.500 2.348 2.037 2.936 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR H 1 34 ASN H . . 3.980 3.263 3.050 3.934 . 0 0 "[ . 1 . 2]" 1
18 1 6 THR H 1 34 ASN QB . . 4.050 2.351 2.117 3.322 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 88 GLN QB . . 5.340 4.554 3.535 6.631 1.291 5 1 "[ + 1 . 2]" 1
20 1 6 THR H 1 88 GLN QG . . 5.340 3.385 2.676 6.148 0.808 5 1 "[ + 1 . 2]" 1
21 1 6 THR HA 1 7 ALA H . . 3.560 2.119 2.087 2.523 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR HA 1 88 GLN QG . . 5.340 4.671 3.237 7.159 1.819 5 2 "[ +- 1 . 2]" 1
23 1 6 THR HB 1 7 ALA H . . 4.170 4.180 3.642 4.306 0.136 12 0 "[ . 1 . 2]" 1
24 1 6 THR HB 1 9 PHE QD . . 9.000 7.832 5.987 8.711 . 0 0 "[ . 1 . 2]" 1
25 1 6 THR HB 1 33 GLY QA . . 5.500 3.399 2.868 6.998 1.498 18 1 "[ . 1 . + 2]" 1
26 1 6 THR HB 1 34 ASN H . . 4.640 2.961 2.096 6.477 1.837 18 1 "[ . 1 . + 2]" 1
27 1 6 THR HB 1 34 ASN QB . . 5.500 2.217 1.951 4.569 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR MG 1 33 GLY QA . . 5.500 2.889 2.479 4.051 . 0 0 "[ . 1 . 2]" 1
29 1 6 THR MG 1 34 ASN H . . 4.690 3.632 3.216 3.879 . 0 0 "[ . 1 . 2]" 1
30 1 6 THR MG 1 34 ASN QB . . 5.500 3.465 2.509 3.720 . 0 0 "[ . 1 . 2]" 1
31 1 7 ALA H 1 7 ALA MB . . 3.310 2.242 2.239 2.246 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA HA 1 8 PRO HG2 . . 5.500 4.451 4.322 4.534 . 0 0 "[ . 1 . 2]" 1
33 1 7 ALA HA 1 8 PRO HG3 . . 5.500 4.310 4.073 4.529 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA HA 1 9 PHE QB . . 5.950 5.914 5.577 6.369 0.419 18 0 "[ . 1 . 2]" 1
35 1 7 ALA HA 1 88 GLN QB . . 5.500 2.626 2.070 4.289 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA HA 1 88 GLN QG . . 5.340 3.734 3.000 5.442 0.102 6 0 "[ . 1 . 2]" 1
37 1 7 ALA MB 1 8 PRO HA . . 5.500 4.484 4.439 4.531 . 0 0 "[ . 1 . 2]" 1
38 1 7 ALA MB 1 8 PRO HG2 . . 5.350 4.084 3.493 4.624 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA MB 1 9 PHE QB . . 5.500 4.181 3.671 4.506 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA MB 1 9 PHE QD . . 5.730 5.384 4.230 5.587 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA MB 1 88 GLN HA . . 5.500 5.425 4.616 7.164 1.664 5 2 "[ +- 1 . 2]" 1
42 1 7 ALA MB 1 88 GLN QB . . 5.500 3.445 3.001 4.919 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA MB 1 88 GLN QG . . 5.340 4.606 4.097 6.018 0.678 5 2 "[ +- 1 . 2]" 1
44 1 7 ALA MB 1 89 GLY HA2 . . 5.960 5.754 4.479 6.864 0.904 5 1 "[ + 1 . 2]" 1
45 1 7 ALA MB 1 89 GLY HA3 . . 5.500 4.272 2.965 5.348 . 0 0 "[ . 1 . 2]" 1
46 1 8 PRO HA 1 9 PHE H . . 3.450 2.104 2.059 2.194 . 0 0 "[ . 1 . 2]" 1
47 1 8 PRO HA 1 9 PHE QB . . 5.500 4.041 3.869 4.310 . 0 0 "[ . 1 . 2]" 1
48 1 8 PRO HA 1 9 PHE QD . . 6.560 5.591 3.322 5.907 . 0 0 "[ . 1 . 2]" 1
49 1 8 PRO HA 1 9 PHE QE . . 9.000 7.612 4.689 7.990 . 0 0 "[ . 1 . 2]" 1
50 1 8 PRO HA 1 31 VAL QG . . 5.500 3.357 2.460 4.741 . 0 0 "[ . 1 . 2]" 1
51 1 8 PRO HA 1 33 GLY QA . . 5.500 2.492 2.032 3.286 . 0 0 "[ . 1 . 2]" 1
52 1 8 PRO HA 1 37 PRO QG . . 5.500 2.850 2.240 4.212 . 0 0 "[ . 1 . 2]" 1
53 1 8 PRO HA 1 84 ALA MB . . 5.500 4.094 3.738 5.070 . 0 0 "[ . 1 . 2]" 1
54 1 8 PRO HA 1 91 VAL QG . . 5.440 4.045 3.564 4.676 . 0 0 "[ . 1 . 2]" 1
55 1 8 PRO QB 1 9 PHE QD . . 6.340 5.772 4.850 5.984 . 0 0 "[ . 1 . 2]" 1
56 1 8 PRO QB 1 31 VAL QG . . 4.850 3.059 2.081 4.236 . 0 0 "[ . 1 . 2]" 1
57 1 8 PRO QB 1 33 GLY QA . . 5.340 3.695 2.425 4.417 . 0 0 "[ . 1 . 2]" 1
58 1 8 PRO QB 1 84 ALA MB . . 5.500 2.365 2.010 2.824 . 0 0 "[ . 1 . 2]" 1
59 1 8 PRO QB 1 85 ALA HA . . 5.340 4.529 4.053 6.047 0.707 6 1 "[ .+ 1 . 2]" 1
60 1 8 PRO QB 1 91 VAL QG . . 5.280 2.178 1.863 2.919 . 0 0 "[ . 1 . 2]" 1
61 1 8 PRO HD2 1 9 PHE QB . . 5.350 5.772 5.300 5.942 0.592 6 4 "[ .+ * . * -]" 1
62 1 8 PRO HD2 1 9 PHE QD . . 6.830 7.172 5.992 7.438 0.608 16 9 "[- *. * ** **.+ *]" 1
63 1 8 PRO HD2 1 37 PRO QG . . 5.770 4.952 4.481 5.441 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HD2 1 88 GLN QB . . 4.530 3.542 2.890 4.554 0.024 6 0 "[ . 1 . 2]" 1
65 1 8 PRO HG2 1 84 ALA MB . . 5.500 4.071 3.339 5.003 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HG2 1 85 ALA HA . . 5.350 4.622 3.152 5.763 0.413 3 0 "[ . 1 . 2]" 1
67 1 8 PRO HG2 1 90 ARG HA . . 5.500 2.962 2.119 4.038 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO HG2 1 91 VAL H . . 4.250 3.979 3.213 4.519 0.269 5 0 "[ . 1 . 2]" 1
69 1 8 PRO HG2 1 91 VAL QG . . 5.500 2.928 1.928 3.853 . 0 0 "[ . 1 . 2]" 1
70 1 8 PRO HG3 1 84 ALA MB . . 5.500 3.980 3.128 4.903 . 0 0 "[ . 1 . 2]" 1
71 1 8 PRO HG3 1 90 ARG HA . . 5.500 3.319 2.451 4.387 . 0 0 "[ . 1 . 2]" 1
72 1 8 PRO HG3 1 91 VAL QG . . 5.500 3.768 2.985 4.371 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE H 1 91 VAL QG . . 4.600 3.789 3.112 4.597 . 0 0 "[ . 1 . 2]" 1
74 1 9 PHE HA 1 10 PHE H . . 3.300 2.126 2.087 2.301 . 0 0 "[ . 1 . 2]" 1
75 1 9 PHE HA 1 10 PHE QD . . 6.230 4.111 3.515 4.587 . 0 0 "[ . 1 . 2]" 1
76 1 9 PHE HA 1 10 PHE QE . . 5.500 5.349 4.784 5.696 0.196 12 0 "[ . 1 . 2]" 1
77 1 9 PHE HA 1 91 VAL QG . . 5.500 2.625 1.927 3.383 . 0 0 "[ . 1 . 2]" 1
78 1 9 PHE QB 1 10 PHE H . . 3.810 3.630 2.546 3.834 0.024 10 0 "[ . 1 . 2]" 1
79 1 9 PHE QB 1 91 VAL QG . . 5.440 3.933 3.377 4.563 . 0 0 "[ . 1 . 2]" 1
80 1 9 PHE QD 1 10 PHE HA . . 6.110 4.671 4.436 4.828 . 0 0 "[ . 1 . 2]" 1
81 1 9 PHE QD 1 31 VAL HA . . 7.260 5.085 4.734 5.536 . 0 0 "[ . 1 . 2]" 1
82 1 9 PHE QD 1 31 VAL HB . . 7.560 6.831 5.475 7.818 0.258 5 0 "[ . 1 . 2]" 1
83 1 9 PHE QD 1 31 VAL QG . . 6.430 4.872 4.473 5.429 . 0 0 "[ . 1 . 2]" 1
84 1 9 PHE QD 1 32 ALA MB . . 6.100 2.956 2.572 3.562 . 0 0 "[ . 1 . 2]" 1
85 1 9 PHE QD 1 33 GLY QA . . 7.820 5.763 4.000 6.435 . 0 0 "[ . 1 . 2]" 1
86 1 9 PHE QD 1 91 VAL HB . . 6.040 5.690 4.143 6.843 0.803 10 2 "[ .- + . 2]" 1
87 1 9 PHE QD 1 91 VAL QG . . 5.500 3.856 2.712 4.754 . 0 0 "[ . 1 . 2]" 1
88 1 9 PHE QE 1 11 GLU H . . 6.800 4.560 4.196 5.080 . 0 0 "[ . 1 . 2]" 1
89 1 9 PHE QE 1 11 GLU HA . . 5.500 2.705 2.240 3.827 . 0 0 "[ . 1 . 2]" 1
90 1 9 PHE QE 1 11 GLU QG . . 5.540 5.079 3.574 5.935 0.395 8 0 "[ . 1 . 2]" 1
91 1 9 PHE QE 1 32 ALA HA . . 7.500 7.382 5.346 8.114 0.614 19 4 "[ - . * 1 * . +2]" 1
92 1 9 PHE QE 1 32 ALA MB . . 7.050 4.378 2.703 5.053 . 0 0 "[ . 1 . 2]" 1
93 1 9 PHE QE 1 33 GLY QA . . 7.500 7.522 4.309 8.341 0.841 19 6 "[ * * 1 **-. +2]" 1
94 1 10 PHE H 1 10 PHE HB3 . . 3.170 3.619 3.584 3.651 0.481 9 0 "[ . 1 . 2]" 1
95 1 10 PHE H 1 10 PHE QD . . 3.970 2.741 2.431 3.129 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE HA 1 12 MET H . . 4.100 3.163 3.047 3.474 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE HA 1 30 ARG HB3 . . 5.340 5.501 5.155 5.708 0.368 17 0 "[ . 1 . 2]" 1
98 1 10 PHE HA 1 31 VAL HA . . 5.500 2.300 1.971 2.505 . 0 0 "[ . 1 . 2]" 1
99 1 10 PHE HA 1 31 VAL HB . . 5.500 4.348 3.223 5.028 . 0 0 "[ . 1 . 2]" 1
100 1 10 PHE HA 1 31 VAL QG . . 5.440 2.578 2.019 2.912 . 0 0 "[ . 1 . 2]" 1
101 1 10 PHE HA 1 32 ALA H . . 4.990 3.580 3.031 3.961 . 0 0 "[ . 1 . 2]" 1
102 1 10 PHE HA 1 32 ALA MB . . 5.500 4.923 4.464 5.361 . 0 0 "[ . 1 . 2]" 1
103 1 10 PHE HB2 1 11 GLU H . . 5.500 4.551 4.465 4.585 . 0 0 "[ . 1 . 2]" 1
104 1 10 PHE HB2 1 13 LYS HA . . 5.500 4.075 3.776 4.331 . 0 0 "[ . 1 . 2]" 1
105 1 10 PHE HB3 1 11 GLU H . . 5.500 4.010 3.594 4.157 . 0 0 "[ . 1 . 2]" 1
106 1 10 PHE HB3 1 12 MET H . . 3.990 3.367 2.930 3.595 . 0 0 "[ . 1 . 2]" 1
107 1 10 PHE HB3 1 13 LYS HA . . 5.500 2.810 2.585 3.124 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE HB3 1 13 LYS HD2 . . 5.180 5.014 4.802 5.295 0.115 5 0 "[ . 1 . 2]" 1
109 1 10 PHE HB3 1 13 LYS HG2 . . 4.760 2.237 2.063 2.475 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE HB3 1 31 VAL HA . . 5.340 4.669 4.328 4.914 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE QD 1 11 GLU H . . 5.500 4.397 4.092 4.627 . 0 0 "[ . 1 . 2]" 1
112 1 10 PHE QD 1 13 LYS HD2 . . 5.920 5.781 5.454 6.245 0.325 2 0 "[ . 1 . 2]" 1
113 1 10 PHE QD 1 13 LYS HD3 . . 5.500 4.820 4.436 5.214 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE QD 1 13 LYS HG2 . . 5.340 3.528 3.125 3.898 . 0 0 "[ . 1 . 2]" 1
115 1 10 PHE QD 1 31 VAL HA . . 5.500 3.759 2.974 4.138 . 0 0 "[ . 1 . 2]" 1
116 1 10 PHE QD 1 31 VAL HB . . 5.500 4.651 2.405 5.304 . 0 0 "[ . 1 . 2]" 1
117 1 10 PHE QD 1 84 ALA MB . . 5.500 4.042 3.618 4.993 . 0 0 "[ . 1 . 2]" 1
118 1 10 PHE QD 1 91 VAL HB . . 5.500 4.661 3.580 5.513 0.013 10 0 "[ . 1 . 2]" 1
119 1 10 PHE QD 1 91 VAL QG . . 5.500 2.497 2.023 2.875 . 0 0 "[ . 1 . 2]" 1
120 1 10 PHE QD 1 93 CYS QB . . 5.340 2.985 2.295 3.894 . 0 0 "[ . 1 . 2]" 1
121 1 10 PHE QE 1 31 VAL QG . . 5.440 2.728 2.454 3.629 . 0 0 "[ . 1 . 2]" 1
122 1 10 PHE QE 1 84 ALA MB . . 5.500 3.014 2.352 4.071 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE QE 1 91 VAL HB . . 5.500 4.096 2.565 5.128 . 0 0 "[ . 1 . 2]" 1
124 1 10 PHE QE 1 91 VAL QG . . 5.500 2.011 1.830 2.462 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLU H 1 11 GLU HB2 . . 3.440 3.444 2.439 3.632 0.192 5 0 "[ . 1 . 2]" 1
126 1 11 GLU H 1 11 GLU HB3 . . 4.060 2.521 2.452 2.677 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLU H 1 12 MET H . . 3.460 2.572 2.429 2.760 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLU H 1 31 VAL HA . . 4.620 2.381 2.057 2.643 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLU H 1 31 VAL HB . . 5.500 5.033 4.125 5.663 0.163 6 0 "[ . 1 . 2]" 1
130 1 11 GLU H 1 31 VAL QG . . 5.440 3.669 3.422 3.958 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLU H 1 32 ALA HA . . 5.500 5.095 4.737 5.519 0.019 7 0 "[ . 1 . 2]" 1
132 1 11 GLU H 1 32 ALA MB . . 5.500 3.451 3.235 3.716 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLU HA 1 32 ALA MB . . 5.500 4.256 3.766 4.638 . 0 0 "[ . 1 . 2]" 1
134 1 11 GLU HB2 1 12 MET HA . . 5.340 5.220 5.014 5.960 0.620 18 3 "[ .* 1 .- + 2]" 1
135 1 11 GLU HB2 1 12 MET HB2 . . 5.180 4.862 4.632 5.643 0.463 6 0 "[ . 1 . 2]" 1
136 1 11 GLU QG 1 12 MET HB2 . . 5.180 3.108 2.866 3.606 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLU QG 1 32 ALA MB . . 5.500 3.134 2.763 3.661 . 0 0 "[ . 1 . 2]" 1
138 1 12 MET H 1 12 MET HB2 . . 3.500 3.221 3.131 3.315 . 0 0 "[ . 1 . 2]" 1
139 1 12 MET HA 1 13 LYS H . . 3.180 2.105 2.093 2.129 . 0 0 "[ . 1 . 2]" 1
140 1 12 MET HA 1 13 LYS HB2 . . 5.340 4.475 4.443 4.498 . 0 0 "[ . 1 . 2]" 1
141 1 12 MET HB2 1 30 ARG HB3 . . 4.530 2.883 2.718 3.140 . 0 0 "[ . 1 . 2]" 1
142 1 13 LYS H 1 13 LYS HB2 . . 3.030 2.427 2.372 2.495 . 0 0 "[ . 1 . 2]" 1
143 1 13 LYS HA 1 13 LYS HD2 . . 5.500 4.690 4.668 4.719 . 0 0 "[ . 1 . 2]" 1
144 1 13 LYS HA 1 13 LYS HD3 . . 5.500 4.322 4.269 4.355 . 0 0 "[ . 1 . 2]" 1
145 1 13 LYS HA 1 13 LYS HE2 . . 5.500 5.023 4.993 5.043 . 0 0 "[ . 1 . 2]" 1
146 1 13 LYS HA 1 13 LYS HE3 . . 5.500 5.356 5.313 5.402 . 0 0 "[ . 1 . 2]" 1
147 1 13 LYS HA 1 14 LEU HB2 . . 5.340 4.603 4.558 4.657 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS HB2 1 13 LYS HE2 . . 4.760 4.675 4.663 4.694 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS HB2 1 14 LEU H . . 4.380 3.588 3.421 3.742 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS HD2 1 93 CYS QB . . 6.090 5.865 5.223 6.474 0.384 11 0 "[ . 1 . 2]" 1
151 1 13 LYS HD3 1 93 CYS QB . . 5.500 4.407 3.717 5.033 . 0 0 "[ . 1 . 2]" 1
152 1 13 LYS HE2 1 93 CYS QB . . 4.760 4.481 3.724 5.208 0.448 11 0 "[ . 1 . 2]" 1
153 1 14 LEU H 1 14 LEU HB2 . . 3.230 2.264 2.238 2.298 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU H 1 14 LEU HB3 . . 3.910 3.624 3.610 3.646 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU HA 1 15 LYS H . . 3.280 2.315 2.211 2.438 . 0 0 "[ . 1 . 2]" 1
156 1 15 LYS HA 1 16 HIS H . . 3.380 2.470 2.354 2.536 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS QB 1 16 HIS H . . 3.800 2.150 2.021 2.369 . 0 0 "[ . 1 . 2]" 1
158 1 15 LYS QB 1 16 HIS HA . . 5.340 4.352 4.202 4.517 . 0 0 "[ . 1 . 2]" 1
159 1 15 LYS QB 1 95 GLY QA . . 6.300 6.386 6.021 6.687 0.387 17 0 "[ . 1 . 2]" 1
160 1 15 LYS QB 1 96 ARG QB . . 5.950 6.119 5.750 6.972 1.022 19 2 "[ . - 1 . +2]" 1
161 1 15 LYS QB 1 96 ARG QG . . 7.350 7.363 6.883 8.554 1.204 19 2 "[ . - 1 . +2]" 1
162 1 15 LYS HD2 1 17 TYR QE . . 5.500 4.409 3.863 5.026 . 0 0 "[ . 1 . 2]" 1
163 1 15 LYS HD3 1 17 TYR QE . . 5.500 5.083 4.291 6.277 0.777 4 1 "[ +. 1 . 2]" 1
164 1 15 LYS QE 1 16 HIS HA . . 6.150 7.304 6.089 7.991 1.841 14 13 "[ * ***-* * **+.* **]" 1
165 1 15 LYS QE 1 17 TYR QD . . 5.340 5.536 2.968 7.228 1.888 4 13 "[ * +**** - ***.* **]" 1
166 1 15 LYS QE 1 17 TYR QE . . 5.500 4.391 2.274 6.046 0.546 4 1 "[ +. 1 . 2]" 1
167 1 15 LYS QG 1 16 HIS HA . . 5.340 5.363 4.274 5.980 0.640 14 13 "[ * ***-* * **+.* **]" 1
168 1 15 LYS QG 1 17 TYR QD . . 5.340 4.802 3.301 5.830 0.490 4 0 "[ . 1 . 2]" 1
169 1 15 LYS QG 1 17 TYR QE . . 5.340 3.768 2.669 4.768 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS QG 1 95 GLY QA . . 5.830 6.473 5.834 7.002 1.172 20 13 "[ * *-*** * ***.* *+]" 1
171 1 16 HIS H 1 16 HIS HB2 . . 3.580 2.633 2.570 2.794 . 0 0 "[ . 1 . 2]" 1
172 1 16 HIS H 1 17 TYR QD . . 6.370 5.431 4.986 5.588 . 0 0 "[ . 1 . 2]" 1
173 1 16 HIS HA 1 17 TYR QB . . 5.500 4.372 4.314 4.407 . 0 0 "[ . 1 . 2]" 1
174 1 16 HIS HA 1 17 TYR QD . . 6.020 4.185 3.699 4.372 . 0 0 "[ . 1 . 2]" 1
175 1 16 HIS HA 1 97 LEU HA . . 5.500 4.657 3.251 4.990 . 0 0 "[ . 1 . 2]" 1
176 1 17 TYR HA 1 17 TYR QE . . 5.500 4.576 4.536 4.652 . 0 0 "[ . 1 . 2]" 1
177 1 17 TYR HA 1 19 ILE MD . . 6.660 6.028 4.023 7.393 0.733 10 1 "[ . + . 2]" 1
178 1 17 TYR HA 1 97 LEU QD . . 5.440 4.084 3.862 4.967 . 0 0 "[ . 1 . 2]" 1
179 1 17 TYR QB 1 18 LYS H . . 3.960 2.803 2.721 2.872 . 0 0 "[ . 1 . 2]" 1
180 1 17 TYR QB 1 18 LYS HA . . 5.500 4.046 4.002 4.147 . 0 0 "[ . 1 . 2]" 1
181 1 17 TYR QB 1 18 LYS QB . . 5.340 4.789 4.584 4.851 . 0 0 "[ . 1 . 2]" 1
182 1 17 TYR QB 1 19 ILE HB . . 5.670 4.694 4.373 6.210 0.540 10 1 "[ . + . 2]" 1
183 1 17 TYR QB 1 19 ILE MD . . 6.610 4.527 2.091 5.592 . 0 0 "[ . 1 . 2]" 1
184 1 17 TYR QB 1 19 ILE QG . . 6.450 4.978 2.270 6.146 . 0 0 "[ . 1 . 2]" 1
185 1 17 TYR QB 1 25 VAL HB . . 6.090 5.435 4.564 5.825 . 0 0 "[ . 1 . 2]" 1
186 1 17 TYR QB 1 25 VAL QG . . 5.440 3.033 2.753 3.320 . 0 0 "[ . 1 . 2]" 1
187 1 17 TYR QB 1 27 PHE QD . . 7.410 4.440 4.009 4.821 . 0 0 "[ . 1 . 2]" 1
188 1 17 TYR QB 1 27 PHE QE . . 9.000 4.890 4.227 5.560 . 0 0 "[ . 1 . 2]" 1
189 1 17 TYR QB 1 97 LEU HA . . 5.500 2.446 2.144 3.679 . 0 0 "[ . 1 . 2]" 1
190 1 17 TYR QB 1 97 LEU QD . . 5.440 2.063 1.902 2.773 . 0 0 "[ . 1 . 2]" 1
191 1 17 TYR QD 1 18 LYS H . . 5.920 3.784 3.720 3.861 . 0 0 "[ . 1 . 2]" 1
192 1 17 TYR QD 1 19 ILE HB . . 7.740 6.527 6.224 7.876 0.136 10 0 "[ . 1 . 2]" 1
193 1 17 TYR QD 1 19 ILE MD . . 9.000 5.623 2.979 7.018 . 0 0 "[ . 1 . 2]" 1
194 1 17 TYR QD 1 19 ILE MG . . 7.170 6.228 4.750 6.484 . 0 0 "[ . 1 . 2]" 1
195 1 17 TYR QD 1 25 VAL HA . . 9.000 6.846 6.113 7.361 . 0 0 "[ . 1 . 2]" 1
196 1 17 TYR QD 1 25 VAL HB . . 7.280 6.581 5.464 6.896 . 0 0 "[ . 1 . 2]" 1
197 1 17 TYR QD 1 25 VAL QG . . 5.500 3.868 3.226 4.066 . 0 0 "[ . 1 . 2]" 1
198 1 17 TYR QD 1 27 PHE HA . . 6.000 5.756 5.415 6.228 0.228 2 0 "[ . 1 . 2]" 1
199 1 17 TYR QD 1 27 PHE HB3 . . 5.500 3.915 3.687 4.281 . 0 0 "[ . 1 . 2]" 1
200 1 17 TYR QD 1 27 PHE QD . . 7.170 4.217 3.986 4.521 . 0 0 "[ . 1 . 2]" 1
201 1 17 TYR QD 1 97 LEU HA . . 6.070 3.710 3.282 4.192 . 0 0 "[ . 1 . 2]" 1
202 1 17 TYR QD 1 97 LEU QB . . 5.500 3.405 2.943 4.354 . 0 0 "[ . 1 . 2]" 1
203 1 17 TYR QD 1 97 LEU QD . . 5.500 3.136 2.059 3.507 . 0 0 "[ . 1 . 2]" 1
204 1 17 TYR QE 1 19 ILE MD . . 9.000 7.128 4.671 8.566 . 0 0 "[ . 1 . 2]" 1
205 1 17 TYR QE 1 19 ILE QG . . 7.500 8.127 5.652 9.263 1.763 16 13 "[* * ** *1-* **+** *]" 1
206 1 17 TYR QE 1 25 VAL QG . . 5.500 4.729 3.848 5.083 . 0 0 "[ . 1 . 2]" 1
207 1 17 TYR QE 1 27 PHE HA . . 5.500 4.489 4.078 4.871 . 0 0 "[ . 1 . 2]" 1
208 1 17 TYR QE 1 27 PHE HB2 . . 5.500 3.067 2.482 3.286 . 0 0 "[ . 1 . 2]" 1
209 1 17 TYR QE 1 27 PHE QD . . 6.170 3.437 3.027 3.952 . 0 0 "[ . 1 . 2]" 1
210 1 17 TYR QE 1 97 LEU HA . . 6.080 5.966 5.551 6.337 0.257 8 0 "[ . 1 . 2]" 1
211 1 17 TYR QE 1 97 LEU QD . . 5.440 4.515 3.097 4.939 . 0 0 "[ . 1 . 2]" 1
212 1 18 LYS HA 1 18 LYS QE . . 5.500 4.607 4.590 4.634 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS HA 1 19 ILE H . . 3.140 2.143 2.090 2.186 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS HA 1 19 ILE MG . . 5.500 4.261 3.622 5.519 0.019 8 0 "[ . 1 . 2]" 1
215 1 18 LYS HA 1 98 MET QB . . 5.500 3.039 2.871 3.216 . 0 0 "[ . 1 . 2]" 1
216 1 18 LYS HA 1 98 MET QG . . 5.340 4.495 4.008 4.795 . 0 0 "[ . 1 . 2]" 1
217 1 18 LYS HA 1 99 VAL HA . . 5.500 4.390 4.229 4.491 . 0 0 "[ . 1 . 2]" 1
218 1 18 LYS QB 1 98 MET QB . . 4.530 3.947 3.698 4.522 . 0 0 "[ . 1 . 2]" 1
219 1 18 LYS QD 1 98 MET HA . . 7.140 6.951 6.612 7.698 0.558 8 1 "[ . + 1 . 2]" 1
220 1 18 LYS QD 1 98 MET QB . . 5.500 4.168 3.801 5.028 . 0 0 "[ . 1 . 2]" 1
221 1 18 LYS QD 1 99 VAL HA . . 7.210 6.590 6.276 7.071 . 0 0 "[ . 1 . 2]" 1
222 1 18 LYS QD 1 100 GLN QG . . 7.440 5.345 3.274 6.743 . 0 0 "[ . 1 . 2]" 1
223 1 18 LYS QE 1 98 MET QB . . 4.760 3.683 3.287 5.356 0.596 7 1 "[ . + 1 . 2]" 1
224 1 18 LYS QE 1 100 GLN QE . . 7.500 6.491 3.469 9.010 1.510 1 5 "[+ * .* -1 . *]" 1
225 1 18 LYS QE 1 100 GLN QG . . 9.000 6.471 2.156 8.131 . 0 0 "[ . 1 . 2]" 1
226 1 18 LYS HG2 1 19 ILE H . . 4.420 4.188 3.236 4.695 0.275 8 0 "[ . 1 . 2]" 1
227 1 18 LYS HG2 1 98 MET QB . . 5.500 2.563 2.134 5.219 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS HG2 1 99 VAL HA . . 5.620 5.837 5.154 6.247 0.627 13 3 "[ . - 1 + . *2]" 1
229 1 18 LYS HG2 1 100 GLN QG . . 7.520 6.248 3.909 8.003 0.483 6 0 "[ . 1 . 2]" 1
230 1 18 LYS HG3 1 98 MET QB . . 5.500 3.817 3.517 4.316 . 0 0 "[ . 1 . 2]" 1
231 1 19 ILE H 1 99 VAL HA . . 3.970 2.858 2.669 2.967 . 0 0 "[ . 1 . 2]" 1
232 1 19 ILE HA 1 20 PHE H . . 3.500 2.180 2.102 2.522 . 0 0 "[ . 1 . 2]" 1
233 1 19 ILE HA 1 20 PHE QD . . 5.500 4.045 3.536 4.357 . 0 0 "[ . 1 . 2]" 1
234 1 19 ILE HA 1 20 PHE QE . . 5.520 5.390 4.580 5.688 0.168 7 0 "[ . 1 . 2]" 1
235 1 19 ILE HA 1 99 VAL HA . . 5.500 4.908 4.741 4.993 . 0 0 "[ . 1 . 2]" 1
236 1 19 ILE HA 1 99 VAL QG . . 5.440 4.731 4.390 4.908 . 0 0 "[ . 1 . 2]" 1
237 1 19 ILE HB 1 19 ILE QG . . 2.420 2.339 2.135 2.476 0.056 7 0 "[ . 1 . 2]" 1
238 1 19 ILE HB 1 20 PHE H . . 4.050 3.934 1.988 4.086 0.036 9 0 "[ . 1 . 2]" 1
239 1 19 ILE HB 1 20 PHE HA . . 5.970 5.658 4.503 6.024 0.054 16 0 "[ . 1 . 2]" 1
240 1 19 ILE HB 1 20 PHE QD . . 6.370 6.100 4.347 6.403 0.033 13 0 "[ . 1 . 2]" 1
241 1 19 ILE HB 1 99 VAL HA . . 5.500 4.557 3.028 5.186 . 0 0 "[ . 1 . 2]" 1
242 1 19 ILE HB 1 99 VAL QG . . 5.440 3.803 2.240 4.513 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE MD 1 25 VAL HA . . 5.500 3.834 3.306 5.866 0.366 4 0 "[ . 1 . 2]" 1
244 1 19 ILE MD 1 25 VAL QG . . 5.440 2.434 2.123 3.184 . 0 0 "[ . 1 . 2]" 1
245 1 19 ILE MD 1 97 LEU QD . . 5.500 3.677 2.093 4.175 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE QG 1 97 LEU QD . . 5.280 3.310 1.966 3.806 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE QG 1 99 VAL HA . . 5.500 4.774 3.338 4.971 . 0 0 "[ . 1 . 2]" 1
248 1 19 ILE QG 1 99 VAL QG . . 4.530 3.777 2.836 4.369 . 0 0 "[ . 1 . 2]" 1
249 1 19 ILE MG 1 20 PHE H . . 3.580 3.162 2.302 3.637 0.057 16 0 "[ . 1 . 2]" 1
250 1 19 ILE MG 1 20 PHE HA . . 5.500 4.058 3.862 5.506 0.006 10 0 "[ . 1 . 2]" 1
251 1 19 ILE MG 1 25 VAL HA . . 5.500 4.715 3.443 5.227 . 0 0 "[ . 1 . 2]" 1
252 1 20 PHE H 1 20 PHE QB . . 3.320 2.299 2.242 2.414 . 0 0 "[ . 1 . 2]" 1
253 1 20 PHE H 1 102 VAL HB . . 8.000 7.403 5.558 8.513 0.513 17 1 "[ . 1 . + 2]" 1
254 1 20 PHE H 1 102 VAL QG . . 5.440 5.008 4.593 5.340 . 0 0 "[ . 1 . 2]" 1
255 1 20 PHE HA 1 21 GLU H . . 3.300 2.191 2.141 2.220 . 0 0 "[ . 1 . 2]" 1
256 1 20 PHE HA 1 21 GLU QG . . 5.750 5.519 3.933 5.781 0.031 5 0 "[ . 1 . 2]" 1
257 1 20 PHE HA 1 99 VAL QG . . 5.500 3.429 3.077 3.584 . 0 0 "[ . 1 . 2]" 1
258 1 20 PHE HA 1 100 GLN HB2 . . 5.500 3.680 2.116 5.114 . 0 0 "[ . 1 . 2]" 1
259 1 20 PHE HA 1 100 GLN HB3 . . 5.500 3.332 2.279 5.068 . 0 0 "[ . 1 . 2]" 1
260 1 20 PHE HA 1 100 GLN QG . . 5.340 4.168 3.514 5.399 0.059 7 0 "[ . 1 . 2]" 1
261 1 20 PHE HA 1 101 ALA MB . . 6.340 6.040 5.519 6.347 0.007 3 0 "[ . 1 . 2]" 1
262 1 20 PHE HA 1 102 VAL QG . . 5.500 3.465 2.792 4.185 . 0 0 "[ . 1 . 2]" 1
263 1 20 PHE QB 1 21 GLU H . . 3.750 2.836 2.748 2.983 . 0 0 "[ . 1 . 2]" 1
264 1 20 PHE QB 1 21 GLU QG . . 5.540 5.257 3.549 5.593 0.053 7 0 "[ . 1 . 2]" 1
265 1 20 PHE QB 1 102 VAL HA . . 5.550 5.003 2.621 6.048 0.498 18 0 "[ . 1 . 2]" 1
266 1 20 PHE QB 1 102 VAL QG . . 5.500 2.359 1.848 3.097 . 0 0 "[ . 1 . 2]" 1
267 1 20 PHE QD 1 21 GLU QG . . 6.820 6.255 3.824 7.001 0.181 4 0 "[ . 1 . 2]" 1
268 1 20 PHE QD 1 100 GLN HA . . 5.500 5.276 4.995 6.113 0.613 4 1 "[ +. 1 . 2]" 1
269 1 20 PHE QD 1 100 GLN HB2 . . 5.500 3.869 2.574 5.135 . 0 0 "[ . 1 . 2]" 1
270 1 20 PHE QD 1 100 GLN HB3 . . 5.500 3.244 2.115 4.550 . 0 0 "[ . 1 . 2]" 1
271 1 20 PHE QD 1 100 GLN QG . . 5.340 3.759 2.566 5.257 . 0 0 "[ . 1 . 2]" 1
272 1 20 PHE QD 1 101 ALA HA . . 5.930 5.302 4.337 6.150 0.220 4 0 "[ . 1 . 2]" 1
273 1 20 PHE QD 1 101 ALA MB . . 6.160 5.712 4.857 6.751 0.591 4 1 "[ +. 1 . 2]" 1
274 1 20 PHE QD 1 102 VAL HA . . 5.500 4.194 2.844 6.079 0.579 18 2 "[ . -1 . + 2]" 1
275 1 20 PHE QD 1 102 VAL HB . . 5.500 4.302 2.075 5.245 . 0 0 "[ . 1 . 2]" 1
276 1 20 PHE QD 1 102 VAL QG . . 5.440 2.510 2.137 3.112 . 0 0 "[ . 1 . 2]" 1
277 1 20 PHE QE 1 100 GLN HB2 . . 5.340 4.268 3.302 5.785 0.445 4 0 "[ . 1 . 2]" 1
278 1 21 GLU H 1 21 GLU QG . . 4.320 3.735 2.149 3.987 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLU H 1 99 VAL QG . . 4.450 2.926 2.605 3.063 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLU H 1 101 ALA HA . . 4.740 3.579 3.098 4.022 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLU HA 1 22 GLY H . . 3.250 2.093 2.089 2.098 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLU HA 1 73 THR HA . . 5.500 2.524 2.035 2.841 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLU HA 1 74 LEU QD . . 5.500 4.370 4.130 5.136 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLU HA 1 99 VAL QG . . 5.500 2.140 2.054 2.294 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLU HA 1 102 VAL QG . . 5.440 4.407 3.982 5.939 0.499 18 0 "[ . 1 . 2]" 1
286 1 21 GLU QB 1 73 THR HA . . 5.500 3.548 2.408 3.974 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLU QB 1 73 THR MG . . 5.340 4.351 3.174 4.693 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLU QB 1 74 LEU HA . . 5.340 4.714 3.769 5.207 . 0 0 "[ . 1 . 2]" 1
289 1 21 GLU QB 1 74 LEU QD . . 5.500 3.079 2.573 3.823 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLU QB 1 74 LEU HG . . 5.500 3.191 2.087 6.198 0.698 6 2 "[ - .+ 1 . 2]" 1
291 1 21 GLU QB 1 99 VAL QG . . 4.850 2.426 2.199 2.616 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLU QB 1 101 ALA HA . . 5.500 2.489 2.135 3.146 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLU QB 1 101 ALA MB . . 5.500 3.793 3.182 4.407 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLU QB 1 102 VAL QG . . 5.500 2.666 1.987 4.305 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLU QG 1 73 THR HA . . 5.500 2.444 2.007 4.351 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLU QG 1 73 THR MG . . 5.340 2.984 2.561 4.503 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLU QG 1 74 LEU QD . . 4.530 3.528 3.315 4.197 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLU QG 1 74 LEU HG . . 5.340 3.184 2.554 5.937 0.597 6 2 "[ - .+ 1 . 2]" 1
299 1 21 GLU QG 1 99 VAL QG . . 4.850 2.957 2.654 3.805 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLU QG 1 101 ALA HA . . 5.500 3.945 2.382 5.052 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLU QG 1 101 ALA MB . . 5.340 4.749 3.799 5.884 0.544 16 1 "[ . 1 .+ 2]" 1
302 1 21 GLU QG 1 102 VAL HB . . 5.340 4.845 2.447 7.035 1.695 18 6 "[ *. * *1 * -. + 2]" 1
303 1 21 GLU QG 1 102 VAL QG . . 5.500 3.860 1.901 6.009 0.509 18 1 "[ . 1 . + 2]" 1
304 1 22 GLY H 1 23 MET H . . 4.500 2.479 2.398 2.647 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLY H 1 102 VAL QG . . 5.440 5.289 4.670 7.147 1.707 18 3 "[ -. *1 . + 2]" 1
306 1 22 GLY QA 1 71 ALA MB . . 5.500 2.795 2.280 3.307 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLY QA 1 72 SER H . . 5.050 4.207 3.865 4.388 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLY QA 1 102 VAL QG . . 4.760 4.715 3.921 6.817 2.057 18 3 "[ *. -1 . + 2]" 1
309 1 23 MET H 1 24 PRO HD2 . . 4.880 4.911 4.823 4.941 0.061 5 0 "[ . 1 . 2]" 1
310 1 23 MET H 1 102 VAL QG . . 5.500 4.938 4.046 6.741 1.241 18 3 "[ -. *1 . + 2]" 1
311 1 24 PRO HA 1 25 VAL H . . 3.180 2.186 2.156 2.209 . 0 0 "[ . 1 . 2]" 1
312 1 24 PRO HA 1 25 VAL HB . . 5.500 4.482 4.410 4.519 . 0 0 "[ . 1 . 2]" 1
313 1 24 PRO HA 1 25 VAL QG . . 5.440 3.377 3.262 3.472 . 0 0 "[ . 1 . 2]" 1
314 1 24 PRO HA 1 69 THR MG . . 5.500 3.740 3.647 3.849 . 0 0 "[ . 1 . 2]" 1
315 1 24 PRO HA 1 70 THR HA . . 5.500 3.585 3.379 3.752 . 0 0 "[ . 1 . 2]" 1
316 1 24 PRO HA 1 70 THR HB . . 5.740 5.703 5.592 5.828 0.088 7 0 "[ . 1 . 2]" 1
317 1 24 PRO HA 1 70 THR MG . . 5.500 4.648 4.500 4.738 . 0 0 "[ . 1 . 2]" 1
318 1 24 PRO HA 1 71 ALA HA . . 5.500 3.340 3.209 3.617 . 0 0 "[ . 1 . 2]" 1
319 1 24 PRO HA 1 71 ALA MB . . 5.500 4.708 4.613 4.962 . 0 0 "[ . 1 . 2]" 1
320 1 24 PRO HA 1 72 SER H . . 3.720 3.145 2.945 3.318 . 0 0 "[ . 1 . 2]" 1
321 1 24 PRO HB2 1 25 VAL H . . 4.160 3.050 2.979 3.160 . 0 0 "[ . 1 . 2]" 1
322 1 24 PRO HB3 1 25 VAL H . . 3.500 3.745 3.705 3.791 0.291 19 0 "[ . 1 . 2]" 1
323 1 24 PRO HB3 1 70 THR HB . . 5.460 5.619 5.305 5.901 0.441 15 0 "[ . 1 . 2]" 1
324 1 25 VAL H 1 25 VAL QG . . 3.770 2.583 2.323 2.813 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL H 1 68 HIS HA . . 4.930 4.737 4.618 4.934 0.004 10 0 "[ . 1 . 2]" 1
326 1 25 VAL H 1 69 THR MG . . 3.980 3.771 3.614 3.926 . 0 0 "[ . 1 . 2]" 1
327 1 25 VAL HA 1 26 THR H . . 2.910 2.073 2.057 2.094 . 0 0 "[ . 1 . 2]" 1
328 1 25 VAL HA 1 69 THR MG . . 5.720 5.895 5.681 6.138 0.418 4 0 "[ . 1 . 2]" 1
329 1 25 VAL HA 1 72 SER HB2 . . 5.340 5.781 5.445 6.210 0.870 10 9 "[ * ** *- + ** .* 2]" 1
330 1 25 VAL HA 1 97 LEU QD . . 5.440 4.769 4.339 5.677 0.237 8 0 "[ . 1 . 2]" 1
331 1 25 VAL HB 1 26 THR H . . 4.270 4.174 4.112 4.239 . 0 0 "[ . 1 . 2]" 1
332 1 25 VAL HB 1 27 PHE QD . . 7.860 4.515 3.816 5.119 . 0 0 "[ . 1 . 2]" 1
333 1 25 VAL HB 1 27 PHE QE . . 7.670 4.401 3.246 5.438 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL HB 1 69 THR MG . . 5.500 4.460 3.619 5.310 . 0 0 "[ . 1 . 2]" 1
335 1 25 VAL HB 1 97 LEU QB . . 5.340 5.952 5.252 6.902 1.562 2 10 "[ + ** ** - ** .* *2]" 1
336 1 25 VAL HB 1 97 LEU QD . . 5.500 3.298 2.726 4.485 . 0 0 "[ . 1 . 2]" 1
337 1 25 VAL QG 1 26 THR H . . 3.310 2.564 2.431 2.690 . 0 0 "[ . 1 . 2]" 1
338 1 25 VAL QG 1 26 THR HA . . 5.440 3.455 3.268 3.647 . 0 0 "[ . 1 . 2]" 1
339 1 25 VAL QG 1 26 THR HB . . 5.440 4.529 4.318 5.191 . 0 0 "[ . 1 . 2]" 1
340 1 25 VAL QG 1 27 PHE HB2 . . 5.440 4.784 4.480 5.006 . 0 0 "[ . 1 . 2]" 1
341 1 25 VAL QG 1 27 PHE QD . . 5.550 1.991 1.825 2.218 . 0 0 "[ . 1 . 2]" 1
342 1 25 VAL QG 1 27 PHE QE . . 5.500 2.423 2.122 2.836 . 0 0 "[ . 1 . 2]" 1
343 1 25 VAL QG 1 55 TYR QE . . 5.890 5.481 4.829 5.815 . 0 0 "[ . 1 . 2]" 1
344 1 25 VAL QG 1 68 HIS HA . . 5.440 4.249 3.889 4.553 . 0 0 "[ . 1 . 2]" 1
345 1 25 VAL QG 1 69 THR H . . 4.620 3.291 2.733 3.809 . 0 0 "[ . 1 . 2]" 1
346 1 25 VAL QG 1 69 THR HB . . 5.440 2.523 1.930 3.112 . 0 0 "[ . 1 . 2]" 1
347 1 25 VAL QG 1 69 THR MG . . 5.500 3.230 2.837 3.520 . 0 0 "[ . 1 . 2]" 1
348 1 25 VAL QG 1 72 SER HA . . 5.440 4.252 4.141 4.388 . 0 0 "[ . 1 . 2]" 1
349 1 25 VAL QG 1 72 SER HB2 . . 4.530 2.362 2.214 2.482 . 0 0 "[ . 1 . 2]" 1
350 1 25 VAL QG 1 80 TYR QE . . 5.500 4.805 4.569 5.281 . 0 0 "[ . 1 . 2]" 1
351 1 25 VAL QG 1 97 LEU HA . . 5.440 4.836 4.569 5.760 0.320 8 0 "[ . 1 . 2]" 1
352 1 25 VAL QG 1 97 LEU QD . . 5.500 1.864 1.689 2.459 . 0 0 "[ . 1 . 2]" 1
353 1 26 THR HA 1 27 PHE H . . 3.280 2.098 2.090 2.117 . 0 0 "[ . 1 . 2]" 1
354 1 26 THR HA 1 68 HIS HA . . 5.500 2.422 2.237 2.580 . 0 0 "[ . 1 . 2]" 1
355 1 26 THR HA 1 68 HIS HB2 . . 5.500 3.670 3.383 4.931 . 0 0 "[ . 1 . 2]" 1
356 1 26 THR HA 1 68 HIS HB3 . . 5.500 4.928 3.897 5.098 . 0 0 "[ . 1 . 2]" 1
357 1 26 THR HA 1 69 THR MG . . 6.620 6.514 6.200 6.692 0.072 20 0 "[ . 1 . 2]" 1
358 1 26 THR MG 1 27 PHE H . . 4.190 2.743 2.510 4.001 . 0 0 "[ . 1 . 2]" 1
359 1 26 THR MG 1 27 PHE QD . . 5.500 4.651 4.512 5.029 . 0 0 "[ . 1 . 2]" 1
360 1 26 THR MG 1 28 THR HA . . 5.500 5.345 4.942 7.661 2.161 9 1 "[ . +1 . 2]" 1
361 1 26 THR MG 1 28 THR MG . . 5.500 4.288 3.842 6.489 0.989 9 1 "[ . +1 . 2]" 1
362 1 26 THR MG 1 66 SER HA . . 5.500 4.963 4.441 7.170 1.670 9 1 "[ . +1 . 2]" 1
363 1 26 THR MG 1 66 SER QB . . 5.500 3.984 3.033 5.303 . 0 0 "[ . 1 . 2]" 1
364 1 26 THR MG 1 68 HIS HA . . 5.500 3.369 2.990 3.700 . 0 0 "[ . 1 . 2]" 1
365 1 26 THR MG 1 68 HIS HB2 . . 5.500 2.873 2.439 4.065 . 0 0 "[ . 1 . 2]" 1
366 1 26 THR MG 1 68 HIS HB3 . . 5.500 4.297 2.715 4.685 . 0 0 "[ . 1 . 2]" 1
367 1 27 PHE H 1 27 PHE HB2 . . 3.920 3.943 3.869 4.003 0.083 17 0 "[ . 1 . 2]" 1
368 1 27 PHE H 1 27 PHE QD . . 4.690 2.978 2.797 3.220 . 0 0 "[ . 1 . 2]" 1
369 1 27 PHE H 1 66 SER HA . . 5.500 4.950 4.689 5.088 . 0 0 "[ . 1 . 2]" 1
370 1 27 PHE H 1 67 LEU H . . 4.430 3.563 3.420 3.763 . 0 0 "[ . 1 . 2]" 1
371 1 27 PHE H 1 68 HIS HA . . 5.030 3.395 3.199 3.606 . 0 0 "[ . 1 . 2]" 1
372 1 27 PHE HA 1 28 THR H . . 3.050 2.360 2.301 2.447 . 0 0 "[ . 1 . 2]" 1
373 1 27 PHE HA 1 41 TRP HH2 . . 6.580 6.455 5.811 7.158 0.578 18 1 "[ . 1 . + 2]" 1
374 1 27 PHE HB2 1 41 TRP HH2 . . 5.500 4.916 4.375 5.613 0.113 18 0 "[ . 1 . 2]" 1
375 1 27 PHE HB3 1 28 THR H . . 4.810 3.743 3.632 3.821 . 0 0 "[ . 1 . 2]" 1
376 1 27 PHE HB3 1 28 THR MG . . 5.500 5.289 5.185 5.354 . 0 0 "[ . 1 . 2]" 1
377 1 27 PHE QD 1 28 THR MG . . 6.800 5.162 4.821 5.343 . 0 0 "[ . 1 . 2]" 1
378 1 27 PHE QD 1 41 TRP HE3 . . 9.000 5.624 5.086 6.382 . 0 0 "[ . 1 . 2]" 1
379 1 27 PHE QD 1 41 TRP HH2 . . 7.190 2.869 2.394 3.242 . 0 0 "[ . 1 . 2]" 1
380 1 27 PHE QD 1 41 TRP HZ2 . . 9.000 4.791 4.254 5.355 . 0 0 "[ . 1 . 2]" 1
381 1 27 PHE QD 1 67 LEU HA . . 7.030 6.064 5.844 6.310 . 0 0 "[ . 1 . 2]" 1
382 1 27 PHE QD 1 67 LEU QD . . 5.440 4.143 3.943 4.338 . 0 0 "[ . 1 . 2]" 1
383 1 27 PHE QD 1 67 LEU HG . . 5.500 5.030 4.734 6.305 0.805 10 1 "[ . + . 2]" 1
384 1 27 PHE QD 1 82 ILE MG . . 9.000 5.406 5.174 5.681 . 0 0 "[ . 1 . 2]" 1
385 1 27 PHE QD 1 95 GLY QA . . 5.340 4.653 4.002 5.154 . 0 0 "[ . 1 . 2]" 1
386 1 27 PHE QD 1 97 LEU HA . . 9.000 6.593 6.176 6.981 . 0 0 "[ . 1 . 2]" 1
387 1 27 PHE QD 1 97 LEU QB . . 6.780 5.011 4.639 5.652 . 0 0 "[ . 1 . 2]" 1
388 1 27 PHE QD 1 97 LEU QD . . 6.470 3.440 2.683 3.861 . 0 0 "[ . 1 . 2]" 1
389 1 27 PHE QE 1 41 TRP HH2 . . 7.320 3.121 2.317 3.657 . 0 0 "[ . 1 . 2]" 1
390 1 27 PHE QE 1 67 LEU HA . . 5.500 5.631 5.313 5.989 0.489 17 0 "[ . 1 . 2]" 1
391 1 27 PHE QE 1 67 LEU QD . . 5.500 2.532 2.181 3.007 . 0 0 "[ . 1 . 2]" 1
392 1 27 PHE QE 1 97 LEU HA . . 9.000 6.103 5.595 6.808 . 0 0 "[ . 1 . 2]" 1
393 1 27 PHE QE 1 97 LEU QB . . 6.280 4.027 3.559 4.753 . 0 0 "[ . 1 . 2]" 1
394 1 27 PHE QE 1 97 LEU QD . . 5.850 2.479 2.106 2.847 . 0 0 "[ . 1 . 2]" 1
395 1 28 THR H 1 28 THR MG . . 4.000 2.409 2.381 2.472 . 0 0 "[ . 1 . 2]" 1
396 1 28 THR HA 1 29 CYS H . . 3.120 2.313 2.278 2.349 . 0 0 "[ . 1 . 2]" 1
397 1 28 THR HA 1 41 TRP HH2 . . 5.500 3.704 3.118 4.296 . 0 0 "[ . 1 . 2]" 1
398 1 28 THR HA 1 41 TRP HZ2 . . 5.500 3.304 2.399 3.921 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR HA 1 64 THR MG . . 5.500 4.670 4.436 6.552 1.052 10 1 "[ . + . 2]" 1
400 1 28 THR HA 1 66 SER HA . . 5.500 2.083 1.943 2.223 . 0 0 "[ . 1 . 2]" 1
401 1 28 THR HA 1 66 SER QB . . 5.500 3.643 3.124 3.922 . 0 0 "[ . 1 . 2]" 1
402 1 28 THR HA 1 67 LEU H . . 4.790 2.884 2.782 3.044 . 0 0 "[ . 1 . 2]" 1
403 1 28 THR HB 1 64 THR MG . . 5.500 4.176 3.949 5.913 0.413 10 0 "[ . 1 . 2]" 1
404 1 28 THR HB 1 66 SER HA . . 5.500 2.546 2.369 2.850 . 0 0 "[ . 1 . 2]" 1
405 1 28 THR HB 1 66 SER QB . . 5.500 2.346 2.129 2.847 . 0 0 "[ . 1 . 2]" 1
406 1 28 THR MG 1 29 CYS H . . 3.520 3.427 3.333 3.516 . 0 0 "[ . 1 . 2]" 1
407 1 28 THR MG 1 29 CYS HA . . 5.500 3.690 3.631 3.761 . 0 0 "[ . 1 . 2]" 1
408 1 28 THR MG 1 29 CYS QB . . 5.500 4.539 4.471 4.639 . 0 0 "[ . 1 . 2]" 1
409 1 28 THR MG 1 41 TRP HH2 . . 5.650 5.835 5.424 6.258 0.608 20 4 "[ . 1* . *- +]" 1
410 1 28 THR MG 1 41 TRP HZ2 . . 5.960 5.710 5.134 6.095 0.135 18 0 "[ . 1 . 2]" 1
411 1 28 THR MG 1 60 ASP QB . . 6.670 6.477 6.121 6.878 0.208 18 0 "[ . 1 . 2]" 1
412 1 28 THR MG 1 64 THR HA . . 5.500 5.679 5.326 5.960 0.460 12 0 "[ . 1 . 2]" 1
413 1 28 THR MG 1 64 THR HB . . 5.520 5.678 5.428 5.984 0.464 12 0 "[ . 1 . 2]" 1
414 1 28 THR MG 1 65 CYS HA . . 6.200 6.243 6.107 6.469 0.269 15 0 "[ . 1 . 2]" 1
415 1 28 THR MG 1 65 CYS QB . . 6.030 6.096 5.962 6.196 0.166 13 0 "[ . 1 . 2]" 1
416 1 28 THR MG 1 66 SER HA . . 5.500 4.022 3.911 4.208 . 0 0 "[ . 1 . 2]" 1
417 1 28 THR MG 1 66 SER QB . . 5.500 3.637 3.382 4.250 . 0 0 "[ . 1 . 2]" 1
418 1 28 THR MG 1 82 ILE MD . . 6.200 6.165 5.807 6.412 0.212 8 0 "[ . 1 . 2]" 1
419 1 28 THR MG 1 82 ILE MG . . 6.640 7.033 6.682 7.320 0.680 20 6 "[ . **1* . *- +]" 1
420 1 29 CYS H 1 66 SER HA . . 5.240 3.383 3.265 3.579 . 0 0 "[ . 1 . 2]" 1
421 1 29 CYS HA 1 30 ARG H . . 3.330 2.243 2.201 2.436 . 0 0 "[ . 1 . 2]" 1
422 1 29 CYS QB 1 30 ARG H . . 4.050 3.524 2.423 3.671 . 0 0 "[ . 1 . 2]" 1
423 1 29 CYS QB 1 31 VAL QG . . 4.760 4.256 3.832 5.283 0.523 12 1 "[ . 1 + . 2]" 1
424 1 29 CYS QB 1 41 TRP HH2 . . 5.340 2.814 2.458 4.137 . 0 0 "[ . 1 . 2]" 1
425 1 29 CYS QB 1 82 ILE MG . . 5.500 3.029 2.525 4.258 . 0 0 "[ . 1 . 2]" 1
426 1 30 ARG H 1 30 ARG HB3 . . 3.560 2.710 2.669 2.904 . 0 0 "[ . 1 . 2]" 1
427 1 30 ARG HA 1 30 ARG HD2 . . 5.500 4.362 4.226 4.619 . 0 0 "[ . 1 . 2]" 1
428 1 30 ARG HA 1 30 ARG HD3 . . 5.500 4.665 4.600 4.811 . 0 0 "[ . 1 . 2]" 1
429 1 30 ARG HA 1 31 VAL QG . . 5.440 3.342 3.130 3.658 . 0 0 "[ . 1 . 2]" 1
430 1 30 ARG HA 1 64 THR HA . . 5.500 2.249 2.099 2.343 . 0 0 "[ . 1 . 2]" 1
431 1 30 ARG HA 1 64 THR MG . . 5.500 3.307 2.811 4.453 . 0 0 "[ . 1 . 2]" 1
432 1 31 VAL HA 1 32 ALA H . . 3.360 2.134 2.058 2.315 . 0 0 "[ . 1 . 2]" 1
433 1 31 VAL HB 1 32 ALA H . . 5.170 3.638 2.398 4.317 . 0 0 "[ . 1 . 2]" 1
434 1 31 VAL HB 1 32 ALA HA . . 5.500 4.930 4.265 5.968 0.468 19 0 "[ . 1 . 2]" 1
435 1 31 VAL HB 1 33 GLY QA . . 5.500 4.646 3.735 5.881 0.381 8 0 "[ . 1 . 2]" 1
436 1 31 VAL QG 1 32 ALA HA . . 5.440 3.699 3.524 3.893 . 0 0 "[ . 1 . 2]" 1
437 1 31 VAL QG 1 33 GLY QA . . 5.440 3.213 2.528 4.523 . 0 0 "[ . 1 . 2]" 1
438 1 31 VAL QG 1 37 PRO QD . . 5.500 2.404 1.935 2.942 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL QG 1 37 PRO QG . . 5.440 2.305 1.940 3.143 . 0 0 "[ . 1 . 2]" 1
440 1 31 VAL QG 1 39 ILE MD . . 5.440 2.075 1.855 2.488 . 0 0 "[ . 1 . 2]" 1
441 1 31 VAL QG 1 63 GLY HA2 . . 5.280 3.932 2.950 4.885 . 0 0 "[ . 1 . 2]" 1
442 1 31 VAL QG 1 64 THR H . . 5.440 5.384 4.666 6.186 0.746 13 4 "[ -* 1 + . * 2]" 1
443 1 31 VAL QG 1 82 ILE MD . . 5.440 3.277 2.534 4.894 . 0 0 "[ . 1 . 2]" 1
444 1 31 VAL QG 1 84 ALA HA . . 5.440 3.567 2.900 4.201 . 0 0 "[ . 1 . 2]" 1
445 1 31 VAL QG 1 84 ALA MB . . 5.500 1.946 1.709 2.329 . 0 0 "[ . 1 . 2]" 1
446 1 32 ALA H 1 32 ALA MB . . 3.440 2.402 2.285 2.669 . 0 0 "[ . 1 . 2]" 1
447 1 32 ALA H 1 33 GLY H . . 4.580 3.539 2.663 3.729 . 0 0 "[ . 1 . 2]" 1
448 1 32 ALA MB 1 33 GLY QA . . 5.500 4.019 3.974 4.076 . 0 0 "[ . 1 . 2]" 1
449 1 33 GLY QA 1 34 ASN H . . 3.300 2.261 2.211 2.298 . 0 0 "[ . 1 . 2]" 1
450 1 33 GLY QA 1 36 LYS HA . . 5.500 3.320 2.715 3.624 . 0 0 "[ . 1 . 2]" 1
451 1 33 GLY QA 1 37 PRO QD . . 5.350 2.035 1.964 2.127 . 0 0 "[ . 1 . 2]" 1
452 1 33 GLY QA 1 37 PRO QG . . 5.500 2.712 2.357 3.314 . 0 0 "[ . 1 . 2]" 1
453 1 34 ASN H 1 34 ASN QB . . 3.460 2.830 2.783 2.927 . 0 0 "[ . 1 . 2]" 1
454 1 34 ASN QB 1 35 PRO HA . . 5.500 3.749 3.697 3.818 . 0 0 "[ . 1 . 2]" 1
455 1 35 PRO HA 1 36 LYS H . . 3.260 2.309 2.223 2.375 . 0 0 "[ . 1 . 2]" 1
456 1 35 PRO HB2 1 36 LYS H . . 4.080 3.153 2.594 3.427 . 0 0 "[ . 1 . 2]" 1
457 1 35 PRO HB2 1 36 LYS QB . . 5.340 4.528 3.924 4.852 . 0 0 "[ . 1 . 2]" 1
458 1 35 PRO HB2 1 37 PRO QB . . 9.000 6.628 5.987 7.079 . 0 0 "[ . 1 . 2]" 1
459 1 35 PRO QD 1 87 PRO QG . . 5.190 3.462 2.580 7.188 1.998 5 3 "[ +* 1 - 2]" 1
460 1 35 PRO QG 1 37 PRO QD . . 9.000 6.131 4.854 6.638 . 0 0 "[ . 1 . 2]" 1
461 1 35 PRO QG 1 86 ASN HA . . 6.510 6.242 5.788 7.547 1.037 5 1 "[ + 1 . 2]" 1
462 1 35 PRO QG 1 86 ASN HB2 . . 5.500 4.659 4.351 5.390 . 0 0 "[ . 1 . 2]" 1
463 1 35 PRO QG 1 86 ASN HB3 . . 6.800 6.181 5.824 6.440 . 0 0 "[ . 1 . 2]" 1
464 1 35 PRO QG 1 87 PRO QB . . 5.500 4.221 3.451 6.747 1.247 5 2 "[ +- 1 . 2]" 1
465 1 35 PRO QG 1 87 PRO HD2 . . 5.350 3.658 3.132 5.572 0.222 5 0 "[ . 1 . 2]" 1
466 1 35 PRO QG 1 87 PRO QG . . 5.350 3.077 2.054 6.118 0.768 5 1 "[ + 1 . 2]" 1
467 1 36 LYS H 1 37 PRO QD . . 5.330 4.112 4.014 4.286 . 0 0 "[ . 1 . 2]" 1
468 1 36 LYS HA 1 36 LYS HE2 . . 5.500 4.762 4.072 5.294 . 0 0 "[ . 1 . 2]" 1
469 1 36 LYS HA 1 36 LYS HE3 . . 5.500 5.061 4.778 6.126 0.626 15 1 "[ . 1 + 2]" 1
470 1 36 LYS HA 1 37 PRO QG . . 5.500 3.758 3.658 3.795 . 0 0 "[ . 1 . 2]" 1
471 1 36 LYS QB 1 37 PRO QD . . 5.500 3.177 2.757 3.538 . 0 0 "[ . 1 . 2]" 1
472 1 36 LYS QB 1 37 PRO QG . . 5.430 4.867 4.564 5.216 . 0 0 "[ . 1 . 2]" 1
473 1 36 LYS HG2 1 37 PRO QD . . 4.760 4.282 3.098 4.860 0.100 8 0 "[ . 1 . 2]" 1
474 1 37 PRO HA 1 38 LYS H . . 3.220 2.186 2.100 2.448 . 0 0 "[ . 1 . 2]" 1
475 1 37 PRO QB 1 38 LYS H . . 3.250 2.981 2.538 3.200 . 0 0 "[ . 1 . 2]" 1
476 1 37 PRO QB 1 38 LYS QG . . 5.670 4.880 4.443 5.555 . 0 0 "[ . 1 . 2]" 1
477 1 37 PRO QB 1 84 ALA HA . . 5.500 2.740 2.364 3.318 . 0 0 "[ . 1 . 2]" 1
478 1 37 PRO QB 1 84 ALA MB . . 5.500 2.105 1.849 2.373 . 0 0 "[ . 1 . 2]" 1
479 1 37 PRO QB 1 85 ALA H . . 4.780 3.226 2.111 3.976 . 0 0 "[ . 1 . 2]" 1
480 1 37 PRO QB 1 86 ASN HB2 . . 5.340 3.941 3.268 4.551 . 0 0 "[ . 1 . 2]" 1
481 1 37 PRO QD 1 39 ILE MD . . 5.500 4.280 2.564 5.291 . 0 0 "[ . 1 . 2]" 1
482 1 37 PRO QG 1 39 ILE HA . . 5.970 5.757 4.617 6.767 0.797 8 1 "[ . + 1 . 2]" 1
483 1 37 PRO QG 1 39 ILE MD . . 5.500 4.688 2.732 5.665 0.165 6 0 "[ . 1 . 2]" 1
484 1 37 PRO QG 1 84 ALA HA . . 5.500 4.207 3.762 5.166 . 0 0 "[ . 1 . 2]" 1
485 1 37 PRO QG 1 84 ALA MB . . 5.500 2.294 1.961 3.135 . 0 0 "[ . 1 . 2]" 1
486 1 37 PRO QG 1 85 ALA MB . . 6.070 5.563 5.306 5.949 . 0 0 "[ . 1 . 2]" 1
487 1 37 PRO QG 1 86 ASN HA . . 6.500 5.082 4.626 6.040 . 0 0 "[ . 1 . 2]" 1
488 1 37 PRO QG 1 86 ASN HB2 . . 5.340 3.832 3.367 5.282 . 0 0 "[ . 1 . 2]" 1
489 1 38 LYS H 1 38 LYS QG . . 4.410 2.579 2.419 3.998 . 0 0 "[ . 1 . 2]" 1
490 1 38 LYS H 1 85 ALA MB . . 4.960 4.000 3.710 5.684 0.724 6 1 "[ .+ 1 . 2]" 1
491 1 38 LYS HA 1 38 LYS QE . . 5.500 4.609 4.591 4.625 . 0 0 "[ . 1 . 2]" 1
492 1 38 LYS HA 1 39 ILE H . . 3.030 2.307 2.108 2.418 . 0 0 "[ . 1 . 2]" 1
493 1 38 LYS HA 1 39 ILE MD . . 5.500 5.201 4.795 5.394 . 0 0 "[ . 1 . 2]" 1
494 1 38 LYS HA 1 40 TYR QE . . 5.500 5.478 5.036 7.026 1.526 15 3 "[ - * 1 + 2]" 1
495 1 38 LYS HB2 1 38 LYS QE . . 4.760 3.991 3.973 4.010 . 0 0 "[ . 1 . 2]" 1
496 1 38 LYS HB2 1 40 TYR QE . . 5.500 3.303 2.703 5.185 . 0 0 "[ . 1 . 2]" 1
497 1 38 LYS HB3 1 40 TYR QE . . 5.500 3.783 3.121 5.654 0.154 15 0 "[ . 1 . 2]" 1
498 1 38 LYS QD 1 40 TYR QE . . 5.500 3.927 2.616 6.135 0.635 15 1 "[ . 1 + 2]" 1
499 1 38 LYS QE 1 40 TYR QE . . 7.260 5.715 2.719 8.099 0.839 15 2 "[ - 1 + 2]" 1
500 1 38 LYS QG 1 39 ILE H . . 4.480 4.391 3.806 4.498 0.018 20 0 "[ . 1 . 2]" 1
501 1 38 LYS QG 1 40 TYR QE . . 5.920 4.836 3.135 6.850 0.930 15 3 "[ - * 1 + 2]" 1
502 1 39 ILE H 1 39 ILE HB . . 3.150 2.504 2.398 2.598 . 0 0 "[ . 1 . 2]" 1
503 1 39 ILE H 1 39 ILE MG . . 4.120 3.782 3.753 3.806 . 0 0 "[ . 1 . 2]" 1
504 1 39 ILE HA 1 40 TYR H . . 3.130 2.061 2.053 2.089 . 0 0 "[ . 1 . 2]" 1
505 1 39 ILE HA 1 40 TYR QD . . 5.500 4.142 3.312 4.413 . 0 0 "[ . 1 . 2]" 1
506 1 39 ILE HA 1 40 TYR QE . . 5.790 5.396 4.855 5.623 . 0 0 "[ . 1 . 2]" 1
507 1 39 ILE HA 1 41 TRP HD1 . . 6.140 6.231 5.673 7.131 0.991 2 3 "[ + * 1 - 2]" 1
508 1 39 ILE HA 1 84 ALA HA . . 5.500 2.502 2.093 2.990 . 0 0 "[ . 1 . 2]" 1
509 1 39 ILE HA 1 84 ALA MB . . 5.500 3.778 3.019 4.314 . 0 0 "[ . 1 . 2]" 1
510 1 39 ILE HA 1 85 ALA H . . 5.500 3.471 3.119 4.018 . 0 0 "[ . 1 . 2]" 1
511 1 39 ILE HB 1 40 TYR HA . . 5.500 4.949 4.715 5.062 . 0 0 "[ . 1 . 2]" 1
512 1 39 ILE HB 1 65 CYS QB . . 5.340 2.807 2.178 4.233 . 0 0 "[ . 1 . 2]" 1
513 1 39 ILE HB 1 82 ILE MD . . 5.500 4.164 4.030 4.538 . 0 0 "[ . 1 . 2]" 1
514 1 39 ILE MD 1 40 TYR QD . . 5.500 6.642 5.272 6.916 1.416 10 18 "[ ***-****+** *******]" 1
515 1 39 ILE MD 1 41 TRP HD1 . . 6.300 6.064 5.252 7.406 1.106 2 3 "[ + * 1 - 2]" 1
516 1 39 ILE MD 1 41 TRP HZ2 . . 5.500 4.833 3.968 7.009 1.509 2 2 "[ + - 1 . 2]" 1
517 1 39 ILE MD 1 65 CYS H . . 5.500 3.284 2.553 5.043 . 0 0 "[ . 1 . 2]" 1
518 1 39 ILE MD 1 65 CYS HA . . 6.280 4.460 3.972 6.277 . 0 0 "[ . 1 . 2]" 1
519 1 39 ILE MD 1 65 CYS QB . . 5.340 2.350 1.867 3.789 . 0 0 "[ . 1 . 2]" 1
520 1 39 ILE MD 1 82 ILE MD . . 5.500 2.593 2.006 3.833 . 0 0 "[ . 1 . 2]" 1
521 1 39 ILE MD 1 84 ALA HA . . 5.500 4.319 1.914 5.000 . 0 0 "[ . 1 . 2]" 1
522 1 39 ILE MD 1 84 ALA MB . . 5.500 3.568 2.372 4.652 . 0 0 "[ . 1 . 2]" 1
523 1 39 ILE MD 1 85 ALA MB . . 5.500 6.801 4.980 7.549 2.049 6 18 "[ ****+****** *-*****]" 1
524 1 39 ILE HG12 1 82 ILE MD . . 5.500 3.148 2.339 4.458 . 0 0 "[ . 1 . 2]" 1
525 1 39 ILE HG12 1 84 ALA HA . . 5.500 3.183 2.081 4.353 . 0 0 "[ . 1 . 2]" 1
526 1 39 ILE HG13 1 82 ILE MD . . 5.500 4.288 3.186 5.456 . 0 0 "[ . 1 . 2]" 1
527 1 39 ILE HG13 1 84 ALA HA . . 5.500 3.838 2.974 4.967 . 0 0 "[ . 1 . 2]" 1
528 1 39 ILE MG 1 40 TYR H . . 4.090 2.807 2.484 2.985 . 0 0 "[ . 1 . 2]" 1
529 1 39 ILE MG 1 40 TYR HA . . 5.500 3.453 3.214 3.797 . 0 0 "[ . 1 . 2]" 1
530 1 39 ILE MG 1 40 TYR QD . . 5.500 4.866 4.502 4.992 . 0 0 "[ . 1 . 2]" 1
531 1 39 ILE MG 1 40 TYR QE . . 6.930 6.121 5.735 6.286 . 0 0 "[ . 1 . 2]" 1
532 1 39 ILE MG 1 41 TRP HD1 . . 5.500 3.358 2.613 4.704 . 0 0 "[ . 1 . 2]" 1
533 1 39 ILE MG 1 41 TRP HE1 . . 3.730 2.751 2.193 4.296 0.566 2 1 "[ + . 1 . 2]" 1
534 1 39 ILE MG 1 41 TRP HE3 . . 5.500 5.560 5.153 6.520 1.020 2 3 "[ + * 1 - 2]" 1
535 1 39 ILE MG 1 41 TRP HZ2 . . 5.500 3.715 3.122 5.131 . 0 0 "[ . 1 . 2]" 1
536 1 39 ILE MG 1 65 CYS HA . . 5.500 4.727 4.342 5.111 . 0 0 "[ . 1 . 2]" 1
537 1 39 ILE MG 1 65 CYS QB . . 5.340 2.161 1.990 2.642 . 0 0 "[ . 1 . 2]" 1
538 1 39 ILE MG 1 67 LEU QD . . 5.440 5.371 5.026 6.233 0.793 2 2 "[ + - 1 . 2]" 1
539 1 39 ILE MG 1 82 ILE MD . . 5.500 1.934 1.874 2.131 . 0 0 "[ . 1 . 2]" 1
540 1 39 ILE MG 1 82 ILE QG . . 5.340 2.118 1.932 3.340 . 0 0 "[ . 1 . 2]" 1
541 1 39 ILE MG 1 84 ALA HA . . 5.500 3.863 3.060 4.443 . 0 0 "[ . 1 . 2]" 1
542 1 40 TYR H 1 40 TYR QD . . 4.120 3.038 2.650 3.271 . 0 0 "[ . 1 . 2]" 1
543 1 40 TYR H 1 84 ALA HA . . 5.500 3.642 3.102 3.978 . 0 0 "[ . 1 . 2]" 1
544 1 40 TYR H 1 84 ALA MB . . 5.500 4.849 4.369 5.214 . 0 0 "[ . 1 . 2]" 1
545 1 40 TYR HA 1 40 TYR QE . . 5.500 4.722 4.519 5.671 0.171 15 0 "[ . 1 . 2]" 1
546 1 40 TYR HA 1 41 TRP H . . 3.110 2.211 2.142 2.382 . 0 0 "[ . 1 . 2]" 1
547 1 40 TYR HA 1 41 TRP HD1 . . 5.500 3.543 3.034 3.832 . 0 0 "[ . 1 . 2]" 1
548 1 40 TYR QD 1 83 MET HA . . 5.760 5.777 5.385 6.227 0.467 11 0 "[ . 1 . 2]" 1
549 1 40 TYR QD 1 83 MET QB . . 5.500 3.504 3.145 3.888 . 0 0 "[ . 1 . 2]" 1
550 1 40 TYR QD 1 83 MET QG . . 5.500 3.643 3.210 4.462 . 0 0 "[ . 1 . 2]" 1
551 1 40 TYR QD 1 84 ALA HA . . 5.500 4.777 3.859 5.241 . 0 0 "[ . 1 . 2]" 1
552 1 40 TYR QD 1 84 ALA MB . . 6.170 5.879 5.177 6.174 0.004 7 0 "[ . 1 . 2]" 1
553 1 40 TYR QD 1 85 ALA MB . . 5.500 2.771 2.179 4.496 . 0 0 "[ . 1 . 2]" 1
554 1 40 TYR QE 1 83 MET QB . . 5.580 5.151 2.899 5.909 0.329 6 0 "[ . 1 . 2]" 1
555 1 40 TYR QE 1 83 MET QG . . 5.500 4.762 2.965 5.771 0.271 11 0 "[ . 1 . 2]" 1
556 1 40 TYR QE 1 84 ALA HA . . 6.410 5.808 4.300 6.386 . 0 0 "[ . 1 . 2]" 1
557 1 40 TYR QE 1 84 ALA MB . . 7.150 6.615 5.534 7.055 . 0 0 "[ . 1 . 2]" 1
558 1 40 TYR QE 1 85 ALA HA . . 5.500 5.250 4.708 6.473 0.973 11 1 "[ . 1+ . 2]" 1
559 1 40 TYR QE 1 85 ALA MB . . 5.500 2.343 2.089 3.432 . 0 0 "[ . 1 . 2]" 1
560 1 41 TRP H 1 41 TRP HD1 . . 4.090 2.905 2.619 3.203 . 0 0 "[ . 1 . 2]" 1
561 1 41 TRP H 1 42 PHE H . . 5.500 4.489 4.419 4.576 . 0 0 "[ . 1 . 2]" 1
562 1 41 TRP H 1 42 PHE HA . . 5.500 5.222 5.158 5.316 . 0 0 "[ . 1 . 2]" 1
563 1 41 TRP H 1 48 ILE MD . . 5.500 4.980 4.771 5.768 0.268 4 0 "[ . 1 . 2]" 1
564 1 41 TRP H 1 48 ILE MG . . 5.500 5.075 4.823 5.428 . 0 0 "[ . 1 . 2]" 1
565 1 41 TRP HA 1 41 TRP HE3 . . 5.500 3.278 3.160 3.504 . 0 0 "[ . 1 . 2]" 1
566 1 41 TRP HA 1 41 TRP HZ3 . . 6.500 5.317 5.202 5.541 . 0 0 "[ . 1 . 2]" 1
567 1 41 TRP HA 1 42 PHE HA . . 5.500 4.417 4.366 4.458 . 0 0 "[ . 1 . 2]" 1
568 1 41 TRP HA 1 48 ILE MD . . 5.500 4.104 3.942 4.871 . 0 0 "[ . 1 . 2]" 1
569 1 41 TRP HA 1 81 THR HA . . 6.010 5.923 5.837 6.166 0.156 8 0 "[ . 1 . 2]" 1
570 1 41 TRP HA 1 82 ILE HA . . 5.500 2.671 2.479 2.938 . 0 0 "[ . 1 . 2]" 1
571 1 41 TRP HA 1 82 ILE HB . . 5.500 3.912 3.504 4.126 . 0 0 "[ . 1 . 2]" 1
572 1 41 TRP HA 1 82 ILE QG . . 5.340 3.931 3.121 5.165 . 0 0 "[ . 1 . 2]" 1
573 1 41 TRP HA 1 82 ILE MG . . 5.500 4.931 2.149 5.255 . 0 0 "[ . 1 . 2]" 1
574 1 41 TRP HB2 1 42 PHE H . . 5.500 4.180 3.982 4.339 . 0 0 "[ . 1 . 2]" 1
575 1 41 TRP HB2 1 48 ILE HB . . 5.500 2.600 2.273 2.940 . 0 0 "[ . 1 . 2]" 1
576 1 41 TRP HB2 1 48 ILE MD . . 5.500 3.184 2.751 4.042 . 0 0 "[ . 1 . 2]" 1
577 1 41 TRP HB2 1 48 ILE MG . . 5.500 3.475 3.279 3.773 . 0 0 "[ . 1 . 2]" 1
578 1 41 TRP HB2 1 57 ILE MD . . 5.500 2.255 2.122 2.481 . 0 0 "[ . 1 . 2]" 1
579 1 41 TRP HB2 1 67 LEU QD . . 5.500 3.166 2.977 3.710 . 0 0 "[ . 1 . 2]" 1
580 1 41 TRP HB2 1 82 ILE HB . . 6.060 5.955 5.574 6.396 0.336 8 0 "[ . 1 . 2]" 1
581 1 41 TRP HB3 1 41 TRP HZ3 . . 5.500 4.910 4.853 4.943 . 0 0 "[ . 1 . 2]" 1
582 1 41 TRP HB3 1 48 ILE HB . . 5.500 3.071 2.641 3.345 . 0 0 "[ . 1 . 2]" 1
583 1 41 TRP HB3 1 48 ILE MD . . 5.500 2.250 1.995 3.072 . 0 0 "[ . 1 . 2]" 1
584 1 41 TRP HB3 1 48 ILE QG . . 5.340 4.021 3.672 4.378 . 0 0 "[ . 1 . 2]" 1
585 1 41 TRP HB3 1 48 ILE MG . . 5.500 3.835 3.508 4.177 . 0 0 "[ . 1 . 2]" 1
586 1 41 TRP HB3 1 57 ILE MD . . 5.500 3.502 3.254 3.772 . 0 0 "[ . 1 . 2]" 1
587 1 41 TRP HB3 1 67 LEU QD . . 5.500 2.501 2.125 2.881 . 0 0 "[ . 1 . 2]" 1
588 1 41 TRP HB3 1 82 ILE HB . . 5.500 5.078 4.549 6.070 0.570 8 1 "[ . + 1 . 2]" 1
589 1 41 TRP HD1 1 48 ILE HB . . 5.500 4.975 4.646 5.352 . 0 0 "[ . 1 . 2]" 1
590 1 41 TRP HD1 1 57 ILE HB . . 5.500 4.922 4.526 5.795 0.295 19 0 "[ . 1 . 2]" 1
591 1 41 TRP HD1 1 57 ILE MD . . 5.500 2.383 2.158 3.019 . 0 0 "[ . 1 . 2]" 1
592 1 41 TRP HD1 1 57 ILE HG12 . . 5.500 3.437 2.884 4.422 . 0 0 "[ . 1 . 2]" 1
593 1 41 TRP HD1 1 57 ILE HG13 . . 5.500 4.853 4.392 5.778 0.278 19 0 "[ . 1 . 2]" 1
594 1 41 TRP HD1 1 57 ILE MG . . 5.500 2.651 2.309 3.344 . 0 0 "[ . 1 . 2]" 1
595 1 41 TRP HD1 1 67 LEU HA . . 5.970 5.767 4.901 6.612 0.642 19 1 "[ . 1 . +2]" 1
596 1 41 TRP HD1 1 67 LEU QD . . 5.500 3.941 3.551 4.575 . 0 0 "[ . 1 . 2]" 1
597 1 41 TRP HD1 1 82 ILE HA . . 5.950 5.740 5.382 6.285 0.335 8 0 "[ . 1 . 2]" 1
598 1 41 TRP HD1 1 82 ILE HB . . 5.890 5.618 5.233 6.001 0.111 9 0 "[ . 1 . 2]" 1
599 1 41 TRP HD1 1 82 ILE MD . . 5.500 4.984 4.249 6.070 0.570 8 1 "[ . + 1 . 2]" 1
600 1 41 TRP HD1 1 82 ILE QG . . 5.500 5.027 4.318 7.214 1.714 8 1 "[ . + 1 . 2]" 1
601 1 41 TRP HD1 1 82 ILE MG . . 5.500 6.559 4.323 7.013 1.513 9 19 "[******* +*********-*]" 1
602 1 41 TRP HE1 1 65 CYS QB . . 5.500 2.589 1.897 3.344 . 0 0 "[ . 1 . 2]" 1
603 1 41 TRP HE3 1 48 ILE HB . . 5.570 5.519 4.880 5.815 0.245 2 0 "[ . 1 . 2]" 1
604 1 41 TRP HE3 1 48 ILE MD . . 5.500 3.611 2.860 4.122 . 0 0 "[ . 1 . 2]" 1
605 1 41 TRP HE3 1 57 ILE MD . . 5.500 5.411 5.086 5.605 0.105 2 0 "[ . 1 . 2]" 1
606 1 41 TRP HE3 1 67 LEU QD . . 5.500 2.494 2.354 2.824 . 0 0 "[ . 1 . 2]" 1
607 1 41 TRP HE3 1 67 LEU HG . . 5.500 5.342 5.021 5.730 0.230 2 0 "[ . 1 . 2]" 1
608 1 41 TRP HE3 1 80 TYR QB . . 5.500 2.653 2.473 2.920 . 0 0 "[ . 1 . 2]" 1
609 1 41 TRP HE3 1 82 ILE HA . . 5.500 4.036 3.794 5.022 . 0 0 "[ . 1 . 2]" 1
610 1 41 TRP HE3 1 82 ILE MG . . 5.500 4.329 2.708 4.908 . 0 0 "[ . 1 . 2]" 1
611 1 41 TRP HH2 1 66 SER HA . . 5.500 4.962 4.110 5.550 0.050 17 0 "[ . 1 . 2]" 1
612 1 41 TRP HH2 1 67 LEU HB2 . . 5.340 4.651 4.327 4.960 . 0 0 "[ . 1 . 2]" 1
613 1 41 TRP HH2 1 67 LEU QD . . 5.440 4.300 3.872 4.630 . 0 0 "[ . 1 . 2]" 1
614 1 41 TRP HH2 1 67 LEU HG . . 6.280 6.266 5.557 6.775 0.495 10 0 "[ . 1 . 2]" 1
615 1 41 TRP HH2 1 82 ILE MD . . 5.500 3.379 3.024 3.934 . 0 0 "[ . 1 . 2]" 1
616 1 41 TRP HH2 1 82 ILE MG . . 5.500 3.542 3.256 3.831 . 0 0 "[ . 1 . 2]" 1
617 1 41 TRP HZ2 1 57 ILE HG12 . . 5.790 6.151 5.643 6.399 0.609 11 5 "[ **. 1+ . * -2]" 1
618 1 41 TRP HZ2 1 57 ILE MG . . 5.500 5.081 4.700 5.408 . 0 0 "[ . 1 . 2]" 1
619 1 41 TRP HZ2 1 65 CYS HA . . 5.500 5.252 4.574 5.652 0.152 17 0 "[ . 1 . 2]" 1
620 1 41 TRP HZ2 1 65 CYS QB . . 5.500 3.312 2.742 3.918 . 0 0 "[ . 1 . 2]" 1
621 1 41 TRP HZ2 1 66 SER HA . . 5.500 3.656 2.981 4.240 . 0 0 "[ . 1 . 2]" 1
622 1 41 TRP HZ2 1 66 SER QB . . 5.340 5.325 4.834 5.832 0.492 18 0 "[ . 1 . 2]" 1
623 1 41 TRP HZ2 1 67 LEU HA . . 5.500 5.498 4.942 5.916 0.416 19 0 "[ . 1 . 2]" 1
624 1 41 TRP HZ2 1 82 ILE MD . . 5.500 2.711 2.425 4.092 . 0 0 "[ . 1 . 2]" 1
625 1 41 TRP HZ2 1 82 ILE MG . . 5.500 4.418 3.675 4.816 . 0 0 "[ . 1 . 2]" 1
626 1 41 TRP HZ3 1 67 LEU HB2 . . 5.340 4.770 4.364 5.128 . 0 0 "[ . 1 . 2]" 1
627 1 41 TRP HZ3 1 67 LEU QD . . 5.440 3.265 2.892 3.598 . 0 0 "[ . 1 . 2]" 1
628 1 41 TRP HZ3 1 80 TYR QB . . 5.500 2.989 2.118 3.407 . 0 0 "[ . 1 . 2]" 1
629 1 41 TRP HZ3 1 82 ILE HB . . 5.500 3.373 2.933 5.990 0.490 8 0 "[ . 1 . 2]" 1
630 1 42 PHE H 1 42 PHE QD . . 5.500 2.931 2.809 2.985 . 0 0 "[ . 1 . 2]" 1
631 1 42 PHE H 1 43 LYS H . . 5.500 4.369 4.346 4.384 . 0 0 "[ . 1 . 2]" 1
632 1 42 PHE H 1 43 LYS HA . . 5.500 4.643 4.628 4.660 . 0 0 "[ . 1 . 2]" 1
633 1 42 PHE H 1 48 ILE MD . . 5.500 3.531 3.387 4.181 . 0 0 "[ . 1 . 2]" 1
634 1 42 PHE H 1 81 THR H . . 4.220 4.129 4.006 4.613 0.393 8 0 "[ . 1 . 2]" 1
635 1 42 PHE HA 1 43 LYS H . . 3.430 2.213 2.185 2.231 . 0 0 "[ . 1 . 2]" 1
636 1 42 PHE HA 1 47 GLN HA . . 5.500 2.692 2.407 2.803 . 0 0 "[ . 1 . 2]" 1
637 1 42 PHE HA 1 47 GLN HB2 . . 5.500 5.129 4.843 5.248 . 0 0 "[ . 1 . 2]" 1
638 1 42 PHE HA 1 47 GLN HB3 . . 5.580 5.525 5.317 5.612 0.032 7 0 "[ . 1 . 2]" 1
639 1 42 PHE HA 1 47 GLN QG . . 5.500 4.413 4.133 4.505 . 0 0 "[ . 1 . 2]" 1
640 1 42 PHE HA 1 48 ILE MD . . 5.500 2.932 2.819 3.214 . 0 0 "[ . 1 . 2]" 1
641 1 42 PHE HA 1 48 ILE QG . . 5.500 2.050 1.969 2.440 . 0 0 "[ . 1 . 2]" 1
642 1 42 PHE QB 1 43 LYS HA . . 5.340 4.549 4.514 4.606 . 0 0 "[ . 1 . 2]" 1
643 1 42 PHE QB 1 43 LYS HB3 . . 5.180 5.135 5.100 5.218 0.038 8 0 "[ . 1 . 2]" 1
644 1 42 PHE QB 1 47 GLN HA . . 5.340 1.972 1.937 2.038 . 0 0 "[ . 1 . 2]" 1
645 1 42 PHE QB 1 81 THR H . . 5.300 5.291 5.200 5.577 0.277 8 0 "[ . 1 . 2]" 1
646 1 42 PHE QB 1 81 THR HB . . 5.500 4.825 4.721 5.025 . 0 0 "[ . 1 . 2]" 1
647 1 42 PHE QB 1 81 THR MG . . 5.500 5.431 5.359 5.485 . 0 0 "[ . 1 . 2]" 1
648 1 42 PHE QD 1 43 LYS H . . 5.500 3.900 3.748 4.034 . 0 0 "[ . 1 . 2]" 1
649 1 42 PHE QD 1 43 LYS HA . . 5.500 4.290 4.245 4.322 . 0 0 "[ . 1 . 2]" 1
650 1 42 PHE QD 1 43 LYS HB3 . . 5.380 5.822 5.675 5.959 0.579 8 2 "[ . + 1 . -2]" 1
651 1 42 PHE QD 1 43 LYS QD . . 6.560 6.106 5.917 6.244 . 0 0 "[ . 1 . 2]" 1
652 1 42 PHE QD 1 47 GLN HA . . 5.500 4.071 4.038 4.132 . 0 0 "[ . 1 . 2]" 1
653 1 42 PHE QD 1 47 GLN HB2 . . 5.340 5.239 5.054 5.348 0.008 18 0 "[ . 1 . 2]" 1
654 1 42 PHE QD 1 47 GLN QG . . 5.340 4.494 4.376 4.605 . 0 0 "[ . 1 . 2]" 1
655 1 42 PHE QD 1 79 ASN HA . . 9.000 8.091 8.014 8.175 . 0 0 "[ . 1 . 2]" 1
656 1 42 PHE QD 1 80 TYR HA . . 5.650 5.477 5.390 5.651 0.001 19 0 "[ . 1 . 2]" 1
657 1 42 PHE QD 1 80 TYR QB . . 7.560 6.433 6.359 6.642 . 0 0 "[ . 1 . 2]" 1
658 1 42 PHE QD 1 81 THR H . . 4.790 4.344 4.258 4.540 . 0 0 "[ . 1 . 2]" 1
659 1 42 PHE QD 1 81 THR HB . . 5.500 3.426 3.299 3.670 . 0 0 "[ . 1 . 2]" 1
660 1 42 PHE QD 1 81 THR MG . . 5.500 4.179 4.115 4.230 . 0 0 "[ . 1 . 2]" 1
661 1 42 PHE HE2 1 43 LYS HA . . 5.920 5.884 5.721 5.958 0.038 13 0 "[ . 1 . 2]" 1
662 1 42 PHE HE2 1 79 ASN QB . . 5.850 5.817 5.673 5.948 0.098 12 0 "[ . 1 . 2]" 1
663 1 43 LYS H 1 43 LYS HB3 . . 3.640 2.640 2.614 2.697 . 0 0 "[ . 1 . 2]" 1
664 1 43 LYS HA 1 43 LYS QE . . 5.500 4.470 4.377 4.524 . 0 0 "[ . 1 . 2]" 1
665 1 43 LYS HA 1 44 ASP H . . 3.550 2.101 2.098 2.105 . 0 0 "[ . 1 . 2]" 1
666 1 43 LYS HA 1 48 ILE MD . . 5.500 3.732 3.632 4.031 . 0 0 "[ . 1 . 2]" 1
667 1 43 LYS HA 1 79 ASN QB . . 5.340 4.628 4.479 4.709 . 0 0 "[ . 1 . 2]" 1
668 1 43 LYS HA 1 80 TYR HA . . 5.500 2.173 2.036 2.315 . 0 0 "[ . 1 . 2]" 1
669 1 43 LYS HA 1 81 THR H . . 5.500 2.956 2.805 3.118 . 0 0 "[ . 1 . 2]" 1
670 1 43 LYS HB2 1 48 ILE MD . . 5.500 1.983 1.893 2.084 . 0 0 "[ . 1 . 2]" 1
671 1 43 LYS HB2 1 48 ILE MG . . 5.700 4.989 4.908 5.170 . 0 0 "[ . 1 . 2]" 1
672 1 43 LYS HB2 1 55 TYR QE . . 5.500 4.245 3.944 5.446 . 0 0 "[ . 1 . 2]" 1
673 1 43 LYS HB3 1 48 ILE MD . . 5.500 3.325 3.042 3.517 . 0 0 "[ . 1 . 2]" 1
674 1 43 LYS HB3 1 48 ILE QG . . 4.760 3.676 3.616 3.775 . 0 0 "[ . 1 . 2]" 1
675 1 43 LYS HB3 1 48 ILE MG . . 5.500 5.742 5.648 5.879 0.379 4 0 "[ . 1 . 2]" 1
676 1 43 LYS HB3 1 55 TYR QE . . 5.500 4.163 3.711 5.980 0.480 2 0 "[ . 1 . 2]" 1
677 1 43 LYS QD 1 44 ASP H . . 5.340 3.425 3.341 3.478 . 0 0 "[ . 1 . 2]" 1
678 1 43 LYS QD 1 44 ASP HB2 . . 5.180 2.363 2.249 2.460 . 0 0 "[ . 1 . 2]" 1
679 1 43 LYS QD 1 48 ILE MD . . 5.340 4.586 4.335 4.677 . 0 0 "[ . 1 . 2]" 1
680 1 43 LYS QD 1 55 TYR QE . . 5.340 4.453 4.081 5.692 0.352 2 0 "[ . 1 . 2]" 1
681 1 43 LYS QD 1 76 ASP HA . . 5.340 4.323 4.019 4.666 . 0 0 "[ . 1 . 2]" 1
682 1 43 LYS QD 1 80 TYR QE . . 5.340 4.528 4.371 4.713 . 0 0 "[ . 1 . 2]" 1
683 1 43 LYS QE 1 44 ASP HA . . 5.760 5.773 5.603 5.937 0.177 16 0 "[ . 1 . 2]" 1
684 1 43 LYS QE 1 48 ILE MD . . 5.890 5.262 5.077 5.328 . 0 0 "[ . 1 . 2]" 1
685 1 43 LYS QE 1 55 TYR QE . . 5.500 4.868 4.659 5.376 . 0 0 "[ . 1 . 2]" 1
686 1 43 LYS QE 1 76 ASP HA . . 5.340 2.729 2.543 3.136 . 0 0 "[ . 1 . 2]" 1
687 1 43 LYS QE 1 79 ASN HA . . 5.340 4.942 4.815 5.077 . 0 0 "[ . 1 . 2]" 1
688 1 43 LYS QE 1 79 ASN HD21 . . 6.030 6.376 5.660 6.526 0.496 18 0 "[ . 1 . 2]" 1
689 1 43 LYS QE 1 80 TYR QE . . 5.340 3.385 3.006 3.662 . 0 0 "[ . 1 . 2]" 1
690 1 43 LYS QG 1 44 ASP H . . 4.370 3.181 3.148 3.263 . 0 0 "[ . 1 . 2]" 1
691 1 43 LYS QG 1 44 ASP HA . . 5.340 4.953 4.890 5.083 . 0 0 "[ . 1 . 2]" 1
692 1 43 LYS QG 1 44 ASP HB2 . . 5.180 4.226 4.146 4.332 . 0 0 "[ . 1 . 2]" 1
693 1 43 LYS QG 1 48 ILE MD . . 5.500 3.473 3.386 3.544 . 0 0 "[ . 1 . 2]" 1
694 1 43 LYS QG 1 48 ILE QG . . 5.180 4.628 4.471 4.861 . 0 0 "[ . 1 . 2]" 1
695 1 43 LYS QG 1 55 TYR QD . . 5.900 5.614 5.436 6.113 0.213 4 0 "[ . 1 . 2]" 1
696 1 43 LYS QG 1 55 TYR QE . . 5.340 4.232 4.031 4.707 . 0 0 "[ . 1 . 2]" 1
697 1 43 LYS QG 1 80 TYR HA . . 5.340 2.875 2.738 2.983 . 0 0 "[ . 1 . 2]" 1
698 1 46 LYS H 1 46 LYS QB . . 3.520 2.417 2.258 2.439 . 0 0 "[ . 1 . 2]" 1
699 1 46 LYS H 1 46 LYS HG2 . . 4.030 3.852 3.807 4.457 0.427 18 0 "[ . 1 . 2]" 1
700 1 46 LYS H 1 46 LYS HG3 . . 4.610 2.712 2.588 4.540 . 0 0 "[ . 1 . 2]" 1
701 1 46 LYS HA 1 48 ILE MD . . 6.550 6.552 6.313 6.717 0.167 2 0 "[ . 1 . 2]" 1
702 1 46 LYS QB 1 47 GLN HA . . 5.340 4.747 4.715 5.008 . 0 0 "[ . 1 . 2]" 1
703 1 46 LYS QB 1 47 GLN QG . . 5.930 5.952 5.924 6.327 0.397 18 0 "[ . 1 . 2]" 1
704 1 46 LYS QB 1 48 ILE HA . . 5.340 5.066 4.955 5.629 0.289 18 0 "[ . 1 . 2]" 1
705 1 46 LYS QB 1 48 ILE MD . . 5.500 4.593 4.216 4.793 . 0 0 "[ . 1 . 2]" 1
706 1 46 LYS HG2 1 47 GLN H . . 5.500 4.625 3.586 4.710 . 0 0 "[ . 1 . 2]" 1
707 1 46 LYS HG3 1 47 GLN H . . 5.500 5.073 3.594 5.156 . 0 0 "[ . 1 . 2]" 1
708 1 47 GLN HB2 1 48 ILE H . . 4.310 4.217 4.203 4.235 . 0 0 "[ . 1 . 2]" 1
709 1 48 ILE H 1 48 ILE MD . . 5.090 3.752 3.694 3.902 . 0 0 "[ . 1 . 2]" 1
710 1 48 ILE HA 1 49 SER H . . 2.970 2.060 2.056 2.063 . 0 0 "[ . 1 . 2]" 1
711 1 48 ILE HA 1 55 TYR QD . . 5.500 3.805 3.523 5.355 . 0 0 "[ . 1 . 2]" 1
712 1 48 ILE HA 1 55 TYR QE . . 5.500 5.243 4.980 6.442 0.942 2 1 "[ + . 1 . 2]" 1
713 1 48 ILE HA 1 57 ILE MD . . 5.500 4.392 4.272 4.488 . 0 0 "[ . 1 . 2]" 1
714 1 48 ILE HA 1 67 LEU QD . . 5.440 5.262 4.927 5.567 0.127 18 0 "[ . 1 . 2]" 1
715 1 48 ILE HB 1 57 ILE MD . . 5.500 2.573 2.279 2.977 . 0 0 "[ . 1 . 2]" 1
716 1 48 ILE HB 1 67 LEU HG . . 6.590 6.641 4.922 7.159 0.569 18 1 "[ . 1 . + 2]" 1
717 1 48 ILE MD 1 55 TYR HA . . 5.500 4.924 4.806 5.350 . 0 0 "[ . 1 . 2]" 1
718 1 48 ILE MD 1 55 TYR HB2 . . 5.500 4.327 3.910 4.526 . 0 0 "[ . 1 . 2]" 1
719 1 48 ILE MD 1 55 TYR HB3 . . 5.500 3.265 3.160 3.589 . 0 0 "[ . 1 . 2]" 1
720 1 48 ILE MD 1 55 TYR QD . . 5.500 3.289 2.936 3.456 . 0 0 "[ . 1 . 2]" 1
721 1 48 ILE MD 1 55 TYR QE . . 5.500 3.685 3.301 4.052 . 0 0 "[ . 1 . 2]" 1
722 1 48 ILE MD 1 57 ILE MG . . 5.340 5.633 5.449 6.203 0.863 4 1 "[ +. 1 . 2]" 1
723 1 48 ILE MD 1 67 LEU QD . . 5.440 2.160 1.956 2.478 . 0 0 "[ . 1 . 2]" 1
724 1 48 ILE MD 1 80 TYR QB . . 5.340 3.439 3.246 3.783 . 0 0 "[ . 1 . 2]" 1
725 1 48 ILE MD 1 80 TYR QE . . 5.500 2.916 2.484 3.138 . 0 0 "[ . 1 . 2]" 1
726 1 48 ILE QG 1 55 TYR QD . . 5.500 2.662 2.368 4.357 . 0 0 "[ . 1 . 2]" 1
727 1 48 ILE QG 1 57 ILE MD . . 5.340 4.240 4.053 4.597 . 0 0 "[ . 1 . 2]" 1
728 1 48 ILE QG 1 80 TYR QB . . 5.420 5.383 5.202 5.697 0.277 8 0 "[ . 1 . 2]" 1
729 1 48 ILE QG 1 80 TYR HD2 . . 5.500 4.210 4.083 4.534 . 0 0 "[ . 1 . 2]" 1
730 1 48 ILE MG 1 49 SER H . . 3.650 2.784 2.743 2.897 . 0 0 "[ . 1 . 2]" 1
731 1 48 ILE MG 1 50 PRO HD2 . . 5.350 5.284 5.201 5.699 0.349 4 0 "[ . 1 . 2]" 1
732 1 48 ILE MG 1 55 TYR H . . 5.150 4.594 4.473 4.662 . 0 0 "[ . 1 . 2]" 1
733 1 48 ILE MG 1 55 TYR HA . . 5.500 4.092 4.016 4.463 . 0 0 "[ . 1 . 2]" 1
734 1 48 ILE MG 1 55 TYR HB2 . . 5.500 2.497 2.314 2.551 . 0 0 "[ . 1 . 2]" 1
735 1 48 ILE MG 1 55 TYR HB3 . . 5.500 2.067 1.983 2.536 . 0 0 "[ . 1 . 2]" 1
736 1 48 ILE MG 1 55 TYR QD . . 5.500 2.313 2.090 3.173 . 0 0 "[ . 1 . 2]" 1
737 1 48 ILE MG 1 55 TYR QE . . 5.340 4.126 3.923 4.455 . 0 0 "[ . 1 . 2]" 1
738 1 48 ILE MG 1 56 THR H . . 4.930 5.007 4.643 5.216 0.286 10 0 "[ . 1 . 2]" 1
739 1 48 ILE MG 1 57 ILE HA . . 5.500 5.303 5.151 5.465 . 0 0 "[ . 1 . 2]" 1
740 1 48 ILE MG 1 57 ILE HB . . 5.500 4.512 4.395 4.777 . 0 0 "[ . 1 . 2]" 1
741 1 48 ILE MG 1 57 ILE MD . . 5.500 2.031 1.984 2.230 . 0 0 "[ . 1 . 2]" 1
742 1 48 ILE MG 1 67 LEU QD . . 5.440 2.413 2.101 2.648 . 0 0 "[ . 1 . 2]" 1
743 1 49 SER HA 1 50 PRO HB2 . . 5.230 4.974 4.931 5.145 . 0 0 "[ . 1 . 2]" 1
744 1 49 SER HA 1 50 PRO HG2 . . 5.500 4.419 4.402 4.490 . 0 0 "[ . 1 . 2]" 1
745 1 49 SER HA 1 50 PRO HG3 . . 5.500 4.176 4.058 4.213 . 0 0 "[ . 1 . 2]" 1
746 1 49 SER HB2 1 50 PRO HD2 . . 5.500 3.917 2.300 4.122 . 0 0 "[ . 1 . 2]" 1
747 1 49 SER HB2 1 50 PRO HD3 . . 5.500 4.105 3.018 4.249 . 0 0 "[ . 1 . 2]" 1
748 1 49 SER HB2 1 50 PRO HG2 . . 6.320 6.238 4.683 6.433 0.113 2 0 "[ . 1 . 2]" 1
749 1 49 SER HB2 1 50 PRO HG3 . . 6.380 6.312 5.007 6.459 0.079 2 0 "[ . 1 . 2]" 1
750 1 49 SER HB3 1 50 PRO HD2 . . 5.500 4.415 3.827 4.590 . 0 0 "[ . 1 . 2]" 1
751 1 49 SER HB3 1 50 PRO HD3 . . 5.500 4.651 3.886 4.750 . 0 0 "[ . 1 . 2]" 1
752 1 49 SER HB3 1 50 PRO HG2 . . 6.660 6.632 6.112 6.775 0.115 2 0 "[ . 1 . 2]" 1
753 1 49 SER HB3 1 50 PRO HG3 . . 6.540 6.520 6.152 6.586 0.046 2 0 "[ . 1 . 2]" 1
754 1 50 PRO HA 1 57 ILE HB . . 5.500 2.151 2.080 2.350 . 0 0 "[ . 1 . 2]" 1
755 1 50 PRO HA 1 57 ILE MD . . 5.500 2.490 2.300 2.739 . 0 0 "[ . 1 . 2]" 1
756 1 50 PRO HA 1 57 ILE HG12 . . 5.340 4.088 4.017 4.200 . 0 0 "[ . 1 . 2]" 1
757 1 50 PRO HA 1 57 ILE MG . . 5.500 3.839 3.791 4.026 . 0 0 "[ . 1 . 2]" 1
758 1 50 PRO HB2 1 57 ILE MD . . 5.500 4.341 4.187 4.525 . 0 0 "[ . 1 . 2]" 1
759 1 50 PRO HB2 1 57 ILE MG . . 5.340 4.728 4.672 4.847 . 0 0 "[ . 1 . 2]" 1
760 1 50 PRO HB3 1 57 ILE MD . . 5.500 3.532 3.330 3.804 . 0 0 "[ . 1 . 2]" 1
761 1 50 PRO HD2 1 57 ILE MD . . 5.350 3.979 3.868 4.127 . 0 0 "[ . 1 . 2]" 1
762 1 50 PRO HG2 1 57 ILE MD . . 5.350 3.850 3.756 4.059 . 0 0 "[ . 1 . 2]" 1
763 1 50 PRO HG2 1 57 ILE MG . . 5.350 4.145 4.041 4.243 . 0 0 "[ . 1 . 2]" 1
764 1 51 LYS H 1 51 LYS HB2 . . 3.340 3.545 3.527 3.558 0.218 5 0 "[ . 1 . 2]" 1
765 1 51 LYS H 1 52 SER H . . 5.500 2.865 2.805 2.894 . 0 0 "[ . 1 . 2]" 1
766 1 51 LYS HA 1 51 LYS HD2 . . 5.500 4.698 4.687 4.705 . 0 0 "[ . 1 . 2]" 1
767 1 51 LYS HA 1 51 LYS HD3 . . 5.500 4.343 4.328 4.363 . 0 0 "[ . 1 . 2]" 1
768 1 51 LYS HA 1 51 LYS HE2 . . 5.500 5.105 5.086 5.140 . 0 0 "[ . 1 . 2]" 1
769 1 51 LYS HA 1 51 LYS HE3 . . 5.500 5.343 5.332 5.354 . 0 0 "[ . 1 . 2]" 1
770 1 51 LYS HB2 1 51 LYS HE2 . . 5.500 4.690 4.687 4.691 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS HB2 1 51 LYS HE3 . . 5.500 4.317 4.287 4.332 . 0 0 "[ . 1 . 2]" 1
772 1 51 LYS HB3 1 51 LYS HE2 . . 5.500 4.320 4.306 4.351 . 0 0 "[ . 1 . 2]" 1
773 1 51 LYS HB3 1 51 LYS HE3 . . 5.500 4.651 4.649 4.653 . 0 0 "[ . 1 . 2]" 1
774 1 51 LYS QG 1 52 SER H . . 4.540 4.539 4.535 4.542 0.002 17 0 "[ . 1 . 2]" 1
775 1 51 LYS QG 1 52 SER HA . . 6.040 6.038 6.032 6.068 0.028 4 0 "[ . 1 . 2]" 1
776 1 52 SER HA 1 53 ASP H . . 3.020 2.742 2.652 2.761 . 0 0 "[ . 1 . 2]" 1
777 1 53 ASP H 1 54 HIS HB2 . . 5.340 5.392 4.924 5.470 0.130 10 0 "[ . 1 . 2]" 1
778 1 53 ASP HB2 1 54 HIS HB2 . . 5.180 4.125 4.039 4.201 . 0 0 "[ . 1 . 2]" 1
779 1 54 HIS CD2 1 55 TYR QD . . 6.320 5.997 5.245 6.234 . 0 0 "[ . 1 . 2]" 1
780 1 54 HIS CD2 1 55 TYR QE . . 6.200 5.844 4.849 6.199 . 0 0 "[ . 1 . 2]" 1
781 1 54 HIS CD2 1 69 THR HA . . 6.880 7.015 6.813 8.084 1.204 4 2 "[ - +. 1 . 2]" 1
782 1 54 HIS CD2 1 69 THR HB . . 9.000 8.721 8.472 9.987 0.987 4 2 "[ - +. 1 . 2]" 1
783 1 54 HIS CD2 1 69 THR MG . . 5.500 5.317 5.090 6.335 0.835 4 2 "[ - +. 1 . 2]" 1
784 1 54 HIS H 1 54 HIS HB2 . . 3.450 2.775 2.734 2.791 . 0 0 "[ . 1 . 2]" 1
785 1 54 HIS H 1 54 HIS HB3 . . 3.940 3.882 3.859 3.891 . 0 0 "[ . 1 . 2]" 1
786 1 54 HIS H 1 55 TYR H . . 3.410 1.734 1.718 1.779 . 0 0 "[ . 1 . 2]" 1
787 1 54 HIS HA 1 55 TYR QD . . 5.500 4.741 4.629 5.166 . 0 0 "[ . 1 . 2]" 1
788 1 54 HIS HB2 1 55 TYR H . . 3.920 3.556 3.475 3.578 . 0 0 "[ . 1 . 2]" 1
789 1 54 HIS HB2 1 55 TYR QD . . 5.340 3.536 3.053 3.837 . 0 0 "[ . 1 . 2]" 1
790 1 54 HIS HB2 1 55 TYR QE . . 5.340 3.684 3.045 4.056 . 0 0 "[ . 1 . 2]" 1
791 1 54 HIS HB3 1 55 TYR QE . . 5.500 4.188 4.072 4.475 . 0 0 "[ . 1 . 2]" 1
792 1 55 TYR H 1 55 TYR QD . . 4.670 3.415 3.067 3.600 . 0 0 "[ . 1 . 2]" 1
793 1 55 TYR HA 1 55 TYR QE . . 5.500 4.318 4.232 4.691 . 0 0 "[ . 1 . 2]" 1
794 1 55 TYR HA 1 56 THR H . . 3.070 2.173 2.122 2.208 . 0 0 "[ . 1 . 2]" 1
795 1 55 TYR HA 1 67 LEU QD . . 5.500 3.044 2.474 3.693 . 0 0 "[ . 1 . 2]" 1
796 1 55 TYR HA 1 69 THR HA . . 5.500 2.998 2.726 3.105 . 0 0 "[ . 1 . 2]" 1
797 1 55 TYR HA 1 69 THR HB . . 5.800 5.729 5.476 5.840 0.040 8 0 "[ . 1 . 2]" 1
798 1 55 TYR HA 1 69 THR MG . . 5.500 4.167 3.740 4.324 . 0 0 "[ . 1 . 2]" 1
799 1 55 TYR HB2 1 57 ILE MD . . 5.500 4.916 4.661 5.029 . 0 0 "[ . 1 . 2]" 1
800 1 55 TYR HB3 1 56 THR H . . 4.180 3.830 2.779 3.955 . 0 0 "[ . 1 . 2]" 1
801 1 55 TYR HB3 1 57 ILE MD . . 5.500 4.090 3.759 4.548 . 0 0 "[ . 1 . 2]" 1
802 1 55 TYR HB3 1 67 LEU QD . . 4.760 2.426 2.019 2.819 . 0 0 "[ . 1 . 2]" 1
803 1 55 TYR QD 1 56 THR H . . 4.490 3.915 3.831 4.350 . 0 0 "[ . 1 . 2]" 1
804 1 55 TYR QD 1 67 LEU QD . . 5.440 3.321 2.363 3.662 . 0 0 "[ . 1 . 2]" 1
805 1 55 TYR QD 1 69 THR HA . . 5.500 2.667 2.537 3.168 . 0 0 "[ . 1 . 2]" 1
806 1 55 TYR QD 1 69 THR HB . . 5.500 4.732 4.360 4.833 . 0 0 "[ . 1 . 2]" 1
807 1 55 TYR QD 1 69 THR MG . . 5.500 2.836 2.440 3.359 . 0 0 "[ . 1 . 2]" 1
808 1 55 TYR QE 1 69 THR HA . . 5.500 3.864 3.648 4.336 . 0 0 "[ . 1 . 2]" 1
809 1 55 TYR QE 1 69 THR HB . . 5.500 4.430 4.055 4.611 . 0 0 "[ . 1 . 2]" 1
810 1 55 TYR QE 1 69 THR MG . . 5.500 2.123 1.983 2.537 . 0 0 "[ . 1 . 2]" 1
811 1 55 TYR QE 1 72 SER HA . . 5.500 4.443 4.057 4.886 . 0 0 "[ . 1 . 2]" 1
812 1 56 THR H 1 56 THR HB . . 3.620 2.534 2.504 2.782 . 0 0 "[ . 1 . 2]" 1
813 1 56 THR H 1 56 THR MG . . 4.600 3.821 3.807 3.918 . 0 0 "[ . 1 . 2]" 1
814 1 56 THR H 1 68 HIS HB3 . . 4.610 3.551 3.180 4.731 0.121 9 0 "[ . 1 . 2]" 1
815 1 56 THR HA 1 57 ILE H . . 3.560 2.093 2.089 2.111 . 0 0 "[ . 1 . 2]" 1
816 1 56 THR HA 1 57 ILE HB . . 5.500 4.516 4.482 4.555 . 0 0 "[ . 1 . 2]" 1
817 1 56 THR HA 1 57 ILE MD . . 5.500 5.023 4.936 5.085 . 0 0 "[ . 1 . 2]" 1
818 1 56 THR HA 1 57 ILE HG12 . . 5.340 5.234 5.105 5.325 . 0 0 "[ . 1 . 2]" 1
819 1 56 THR HA 1 57 ILE MG . . 5.500 5.432 5.412 5.448 . 0 0 "[ . 1 . 2]" 1
820 1 56 THR HB 1 57 ILE MG . . 5.500 6.470 6.419 6.517 1.017 8 20 [***-***+************] 1
821 1 56 THR HB 1 68 HIS HB2 . . 5.500 3.923 2.380 4.152 . 0 0 "[ . 1 . 2]" 1
822 1 56 THR HB 1 68 HIS HB3 . . 5.500 2.364 2.139 3.848 . 0 0 "[ . 1 . 2]" 1
823 1 56 THR MG 1 58 GLN HA . . 5.500 4.470 4.311 4.707 . 0 0 "[ . 1 . 2]" 1
824 1 56 THR MG 1 58 GLN HG2 . . 5.680 4.161 2.363 6.283 0.603 5 1 "[ + 1 . 2]" 1
825 1 56 THR MG 1 58 GLN HG3 . . 5.910 4.794 2.599 6.048 0.138 8 0 "[ . 1 . 2]" 1
826 1 56 THR MG 1 68 HIS HB3 . . 5.340 3.553 3.221 4.833 . 0 0 "[ . 1 . 2]" 1
827 1 57 ILE HA 1 58 GLN H . . 3.050 2.065 2.058 2.078 . 0 0 "[ . 1 . 2]" 1
828 1 57 ILE HA 1 67 LEU QD . . 5.440 3.158 2.892 4.042 . 0 0 "[ . 1 . 2]" 1
829 1 57 ILE HA 1 67 LEU HG . . 5.500 5.417 3.641 5.633 0.133 4 0 "[ . 1 . 2]" 1
830 1 57 ILE HB 1 58 GLN HA . . 5.500 4.870 4.770 4.950 . 0 0 "[ . 1 . 2]" 1
831 1 57 ILE MD 1 67 LEU H . . 6.860 6.601 6.132 7.030 0.170 18 0 "[ . 1 . 2]" 1
832 1 57 ILE MD 1 67 LEU HA . . 5.500 4.811 4.443 5.125 . 0 0 "[ . 1 . 2]" 1
833 1 57 ILE MD 1 67 LEU QD . . 5.500 2.784 2.516 2.970 . 0 0 "[ . 1 . 2]" 1
834 1 57 ILE MD 1 68 HIS H . . 5.920 5.816 5.460 6.089 0.169 10 0 "[ . 1 . 2]" 1
835 1 57 ILE HG12 1 67 LEU HA . . 5.500 3.289 2.868 3.655 . 0 0 "[ . 1 . 2]" 1
836 1 57 ILE HG12 1 67 LEU QD . . 4.850 2.052 1.935 2.995 . 0 0 "[ . 1 . 2]" 1
837 1 57 ILE HG13 1 67 LEU HA . . 5.500 4.178 3.756 4.477 . 0 0 "[ . 1 . 2]" 1
838 1 57 ILE MG 1 58 GLN H . . 3.850 2.757 2.558 3.000 . 0 0 "[ . 1 . 2]" 1
839 1 57 ILE MG 1 58 GLN HA . . 5.500 3.464 3.243 3.616 . 0 0 "[ . 1 . 2]" 1
840 1 57 ILE MG 1 67 LEU H . . 5.480 5.226 4.849 5.522 0.042 18 0 "[ . 1 . 2]" 1
841 1 57 ILE MG 1 67 LEU HA . . 5.500 3.877 3.612 4.030 . 0 0 "[ . 1 . 2]" 1
842 1 58 GLN HA 1 59 ARG H . . 3.220 2.119 2.092 2.187 . 0 0 "[ . 1 . 2]" 1
843 1 58 GLN HB2 1 59 ARG H . . 3.900 4.262 3.955 4.447 0.547 18 4 "[ .* - .* + 2]" 1
844 1 59 ARG H 1 59 ARG QG . . 3.930 3.515 2.604 4.095 0.165 20 0 "[ . 1 . 2]" 1
845 1 59 ARG HA 1 60 ASP H . . 3.330 2.161 2.092 2.245 . 0 0 "[ . 1 . 2]" 1
846 1 59 ARG HA 1 60 ASP QB . . 5.340 4.108 4.065 4.152 . 0 0 "[ . 1 . 2]" 1
847 1 59 ARG HA 1 65 CYS HA . . 5.500 2.385 2.132 2.734 . 0 0 "[ . 1 . 2]" 1
848 1 59 ARG HB2 1 60 ASP H . . 5.500 4.466 4.315 4.545 . 0 0 "[ . 1 . 2]" 1
849 1 59 ARG HB2 1 60 ASP HA . . 5.500 5.593 5.001 6.093 0.593 5 9 "[ +-**** .** *]" 1
850 1 59 ARG HB2 1 65 CYS HA . . 5.340 4.880 4.084 5.699 0.359 14 0 "[ . 1 . 2]" 1
851 1 59 ARG HB3 1 60 ASP H . . 5.500 4.084 3.530 4.464 . 0 0 "[ . 1 . 2]" 1
852 1 59 ARG HB3 1 60 ASP HA . . 5.500 4.965 4.712 5.204 . 0 0 "[ . 1 . 2]" 1
853 1 59 ARG QD 1 65 CYS HA . . 5.340 5.667 5.139 6.098 0.758 12 5 "[ * 1*+ *- 2]" 1
854 1 59 ARG QG 1 60 ASP HA . . 6.010 5.175 4.139 6.098 0.088 2 0 "[ . 1 . 2]" 1
855 1 59 ARG QG 1 65 CYS HA . . 5.500 3.721 3.414 4.122 . 0 0 "[ . 1 . 2]" 1
856 1 60 ASP HA 1 61 LEU HB2 . . 5.340 4.359 4.348 4.382 . 0 0 "[ . 1 . 2]" 1
857 1 60 ASP HA 1 61 LEU QD . . 5.500 4.240 4.149 4.297 . 0 0 "[ . 1 . 2]" 1
858 1 60 ASP HA 1 64 THR MG . . 6.240 5.887 4.511 6.380 0.140 18 0 "[ . 1 . 2]" 1
859 1 60 ASP QB 1 61 LEU H . . 3.660 3.712 3.604 3.771 0.111 11 0 "[ . 1 . 2]" 1
860 1 60 ASP QB 1 64 THR HB . . 5.500 2.494 2.019 4.409 . 0 0 "[ . 1 . 2]" 1
861 1 60 ASP QB 1 64 THR MG . . 5.500 3.374 2.032 3.852 . 0 0 "[ . 1 . 2]" 1
862 1 61 LEU H 1 61 LEU HG . . 4.520 2.341 2.326 2.370 . 0 0 "[ . 1 . 2]" 1
863 1 61 LEU H 1 62 ASP H . . 4.580 2.591 2.576 2.610 . 0 0 "[ . 1 . 2]" 1
864 1 61 LEU HB2 1 62 ASP H . . 3.610 3.144 3.023 3.333 . 0 0 "[ . 1 . 2]" 1
865 1 61 LEU QD 1 62 ASP H . . 5.370 4.330 4.308 4.354 . 0 0 "[ . 1 . 2]" 1
866 1 61 LEU QD 1 63 GLY H . . 5.440 4.854 4.638 5.048 . 0 0 "[ . 1 . 2]" 1
867 1 61 LEU QD 1 64 THR H . . 6.230 5.852 5.399 6.399 0.169 18 0 "[ . 1 . 2]" 1
868 1 61 LEU QD 1 64 THR HA . . 7.950 7.720 7.360 7.972 0.022 18 0 "[ . 1 . 2]" 1
869 1 61 LEU QD 1 64 THR HB . . 7.680 7.343 6.980 8.339 0.659 10 1 "[ . + . 2]" 1
870 1 62 ASP H 1 62 ASP HB2 . . 3.190 2.424 2.352 2.496 . 0 0 "[ . 1 . 2]" 1
871 1 62 ASP H 1 63 GLY H . . 3.510 2.589 2.488 2.716 . 0 0 "[ . 1 . 2]" 1
872 1 64 THR H 1 64 THR HB . . 3.580 2.666 2.495 3.189 . 0 0 "[ . 1 . 2]" 1
873 1 64 THR H 1 64 THR MG . . 4.210 3.781 2.123 3.940 . 0 0 "[ . 1 . 2]" 1
874 1 64 THR MG 1 65 CYS HA . . 5.500 3.550 3.425 3.901 . 0 0 "[ . 1 . 2]" 1
875 1 64 THR MG 1 66 SER QB . . 5.500 3.788 3.184 4.830 . 0 0 "[ . 1 . 2]" 1
876 1 65 CYS HA 1 66 SER H . . 3.100 2.172 2.156 2.202 . 0 0 "[ . 1 . 2]" 1
877 1 65 CYS HA 1 82 ILE MD . . 5.690 5.780 4.790 6.917 1.227 8 1 "[ . + 1 . 2]" 1
878 1 65 CYS QB 1 82 ILE MD . . 5.500 3.203 2.200 4.279 . 0 0 "[ . 1 . 2]" 1
879 1 66 SER H 1 67 LEU H . . 4.920 4.476 4.377 4.559 . 0 0 "[ . 1 . 2]" 1
880 1 66 SER HA 1 67 LEU H . . 3.290 2.175 2.151 2.213 . 0 0 "[ . 1 . 2]" 1
881 1 66 SER HA 1 67 LEU HB2 . . 5.340 4.579 4.387 4.685 . 0 0 "[ . 1 . 2]" 1
882 1 66 SER HA 1 82 ILE MD . . 5.630 5.725 4.971 6.509 0.879 8 1 "[ . + 1 . 2]" 1
883 1 66 SER HA 1 82 ILE MG . . 6.600 7.269 6.521 7.676 1.076 20 15 "[* **.** **** -.****+]" 1
884 1 66 SER QB 1 67 LEU H . . 3.770 3.455 2.780 3.772 0.002 10 0 "[ . 1 . 2]" 1
885 1 67 LEU HA 1 68 HIS H . . 3.100 2.099 2.085 2.277 . 0 0 "[ . 1 . 2]" 1
886 1 67 LEU QD 1 68 HIS H . . 4.710 2.401 2.204 3.137 . 0 0 "[ . 1 . 2]" 1
887 1 67 LEU QD 1 68 HIS HA . . 5.440 4.163 3.602 4.239 . 0 0 "[ . 1 . 2]" 1
888 1 67 LEU QD 1 69 THR HB . . 5.440 5.117 4.076 5.355 . 0 0 "[ . 1 . 2]" 1
889 1 68 HIS H 1 68 HIS HB3 . . 3.430 2.580 2.417 3.728 0.298 9 0 "[ . 1 . 2]" 1
890 1 68 HIS HA 1 69 THR H . . 3.140 2.098 2.089 2.105 . 0 0 "[ . 1 . 2]" 1
891 1 68 HIS HA 1 69 THR HA . . 5.500 4.404 4.398 4.406 . 0 0 "[ . 1 . 2]" 1
892 1 68 HIS HA 1 69 THR HB . . 5.500 4.604 4.583 4.619 . 0 0 "[ . 1 . 2]" 1
893 1 68 HIS HA 1 69 THR MG . . 5.500 5.461 5.452 5.464 . 0 0 "[ . 1 . 2]" 1
894 1 69 THR H 1 69 THR MG . . 3.820 3.824 3.814 3.838 0.018 16 0 "[ . 1 . 2]" 1
895 1 69 THR HA 1 70 THR H . . 3.020 2.089 2.086 2.099 . 0 0 "[ . 1 . 2]" 1
896 1 69 THR HA 1 70 THR HA . . 5.500 4.357 4.335 4.373 . 0 0 "[ . 1 . 2]" 1
897 1 69 THR HA 1 70 THR MG . . 5.500 5.434 5.429 5.439 . 0 0 "[ . 1 . 2]" 1
898 1 69 THR HA 1 71 ALA H . . 4.700 3.953 3.832 4.064 . 0 0 "[ . 1 . 2]" 1
899 1 69 THR HB 1 70 THR H . . 4.330 4.304 4.197 4.352 0.022 13 0 "[ . 1 . 2]" 1
900 1 69 THR HB 1 71 ALA H . . 5.010 4.637 4.585 4.687 . 0 0 "[ . 1 . 2]" 1
901 1 69 THR HB 1 72 SER HA . . 5.500 4.459 4.287 4.827 . 0 0 "[ . 1 . 2]" 1
902 1 69 THR MG 1 70 THR H . . 4.590 2.821 2.630 2.915 . 0 0 "[ . 1 . 2]" 1
903 1 69 THR MG 1 71 ALA H . . 3.830 2.291 2.215 2.345 . 0 0 "[ . 1 . 2]" 1
904 1 69 THR MG 1 72 SER H . . 3.850 2.835 2.688 2.938 . 0 0 "[ . 1 . 2]" 1
905 1 69 THR MG 1 72 SER HA . . 5.500 2.314 2.190 2.584 . 0 0 "[ . 1 . 2]" 1
906 1 69 THR MG 1 72 SER HB2 . . 5.340 2.217 2.018 2.424 . 0 0 "[ . 1 . 2]" 1
907 1 69 THR MG 1 97 LEU QD . . 5.440 3.576 3.185 4.534 . 0 0 "[ . 1 . 2]" 1
908 1 70 THR H 1 70 THR HB . . 3.730 2.498 2.485 2.513 . 0 0 "[ . 1 . 2]" 1
909 1 70 THR H 1 70 THR MG . . 3.780 3.779 3.777 3.783 0.003 2 0 "[ . 1 . 2]" 1
910 1 70 THR H 1 71 ALA H . . 3.300 2.650 2.574 2.727 . 0 0 "[ . 1 . 2]" 1
911 1 70 THR HB 1 71 ALA HA . . 5.500 4.793 4.774 4.810 . 0 0 "[ . 1 . 2]" 1
912 1 71 ALA H 1 71 ALA MB . . 3.200 2.649 2.598 2.665 . 0 0 "[ . 1 . 2]" 1
913 1 71 ALA HA 1 72 SER H . . 2.990 2.235 2.213 2.306 . 0 0 "[ . 1 . 2]" 1
914 1 71 ALA MB 1 72 SER H . . 3.760 3.602 3.578 3.661 . 0 0 "[ . 1 . 2]" 1
915 1 71 ALA MB 1 72 SER HA . . 5.500 4.531 4.490 4.554 . 0 0 "[ . 1 . 2]" 1
916 1 72 SER HA 1 73 THR H . . 3.260 2.248 2.192 2.438 . 0 0 "[ . 1 . 2]" 1
917 1 72 SER HA 1 73 THR MG . . 5.500 3.900 3.796 4.150 . 0 0 "[ . 1 . 2]" 1
918 1 72 SER HA 1 97 LEU QD . . 5.440 4.351 3.820 5.646 0.206 8 0 "[ . 1 . 2]" 1
919 1 72 SER HA 1 99 VAL QG . . 5.440 3.790 3.566 4.006 . 0 0 "[ . 1 . 2]" 1
920 1 72 SER HB2 1 73 THR H . . 4.380 4.447 4.382 4.610 0.230 19 0 "[ . 1 . 2]" 1
921 1 72 SER HB2 1 97 LEU QD . . 4.850 3.090 2.758 4.552 . 0 0 "[ . 1 . 2]" 1
922 1 72 SER HB2 1 99 VAL QG . . 4.530 3.954 3.865 4.096 . 0 0 "[ . 1 . 2]" 1
923 1 72 SER HB3 1 73 THR H . . 5.010 4.434 4.405 4.479 . 0 0 "[ . 1 . 2]" 1
924 1 73 THR H 1 73 THR MG . . 4.120 2.456 2.216 2.635 . 0 0 "[ . 1 . 2]" 1
925 1 73 THR H 1 76 ASP H . . 5.000 3.280 3.084 3.860 . 0 0 "[ . 1 . 2]" 1
926 1 73 THR H 1 76 ASP QB . . 4.580 2.153 1.959 2.774 . 0 0 "[ . 1 . 2]" 1
927 1 73 THR HA 1 74 LEU H . . 3.540 2.552 2.498 2.602 . 0 0 "[ . 1 . 2]" 1
928 1 73 THR HA 1 74 LEU QD . . 5.440 4.400 4.276 5.118 . 0 0 "[ . 1 . 2]" 1
929 1 73 THR HA 1 74 LEU HG . . 5.500 4.306 3.987 6.775 1.275 6 2 "[ - .+ 1 . 2]" 1
930 1 73 THR HA 1 75 ASP H . . 4.460 4.329 4.274 4.444 . 0 0 "[ . 1 . 2]" 1
931 1 73 THR HA 1 99 VAL QG . . 5.500 2.546 2.413 2.752 . 0 0 "[ . 1 . 2]" 1
932 1 73 THR HB 1 74 LEU QD . . 5.440 4.503 4.389 5.122 . 0 0 "[ . 1 . 2]" 1
933 1 73 THR HB 1 75 ASP H . . 3.060 3.045 2.927 3.177 0.117 2 0 "[ . 1 . 2]" 1
934 1 73 THR MG 1 74 LEU HA . . 5.620 5.633 5.614 5.656 0.036 6 0 "[ . 1 . 2]" 1
935 1 73 THR MG 1 74 LEU QD . . 5.440 5.105 4.999 5.666 0.226 2 0 "[ . 1 . 2]" 1
936 1 73 THR MG 1 99 VAL QG . . 5.440 4.069 3.973 4.216 . 0 0 "[ . 1 . 2]" 1
937 1 74 LEU H 1 74 LEU HG . . 3.050 2.532 2.288 4.524 1.474 2 2 "[ + .- 1 . 2]" 1
938 1 74 LEU H 1 75 ASP H . . 3.780 2.653 2.606 2.738 . 0 0 "[ . 1 . 2]" 1
939 1 74 LEU HA 1 76 ASP H . . 4.720 3.772 3.709 3.833 . 0 0 "[ . 1 . 2]" 1
940 1 74 LEU HA 1 77 ASP H . . 4.710 3.192 3.046 3.438 . 0 0 "[ . 1 . 2]" 1
941 1 74 LEU HA 1 99 VAL HB . . 5.500 2.518 2.333 2.649 . 0 0 "[ . 1 . 2]" 1
942 1 74 LEU HA 1 99 VAL QG . . 5.500 2.656 2.136 2.838 . 0 0 "[ . 1 . 2]" 1
943 1 74 LEU QB 1 75 ASP HA . . 5.500 4.052 3.958 4.278 . 0 0 "[ . 1 . 2]" 1
944 1 74 LEU QB 1 99 VAL QG . . 5.280 3.792 2.904 3.975 . 0 0 "[ . 1 . 2]" 1
945 1 74 LEU QB 1 101 ALA MB . . 5.500 4.677 3.216 6.943 1.443 7 2 "[ . + 1 .- 2]" 1
946 1 74 LEU QD 1 75 ASP HB2 . . 5.510 5.918 5.626 5.978 0.468 16 0 "[ . 1 . 2]" 1
947 1 74 LEU QD 1 99 VAL HB . . 5.440 2.358 2.163 2.676 . 0 0 "[ . 1 . 2]" 1
948 1 74 LEU QD 1 99 VAL QG . . 4.850 2.263 2.033 2.901 . 0 0 "[ . 1 . 2]" 1
949 1 74 LEU QD 1 101 ALA HA . . 5.500 2.853 2.216 4.108 . 0 0 "[ . 1 . 2]" 1
950 1 74 LEU QD 1 101 ALA MB . . 5.500 2.173 1.865 4.070 . 0 0 "[ . 1 . 2]" 1
951 1 74 LEU HG 1 75 ASP H . . 4.480 4.453 4.042 4.529 0.049 4 0 "[ . 1 . 2]" 1
952 1 74 LEU HG 1 99 VAL QG . . 5.440 3.169 2.893 4.693 . 0 0 "[ . 1 . 2]" 1
953 1 75 ASP H 1 76 ASP HA . . 5.500 5.152 5.106 5.229 . 0 0 "[ . 1 . 2]" 1
954 1 75 ASP HB2 1 76 ASP HA . . 5.340 4.711 4.672 4.739 . 0 0 "[ . 1 . 2]" 1
955 1 76 ASP H 1 76 ASP QB . . 3.230 2.543 2.502 2.566 . 0 0 "[ . 1 . 2]" 1
956 1 76 ASP H 1 77 ASP H . . 3.590 2.241 2.185 2.348 . 0 0 "[ . 1 . 2]" 1
957 1 76 ASP H 1 99 VAL QG . . 4.400 3.630 3.409 3.728 . 0 0 "[ . 1 . 2]" 1
958 1 76 ASP HA 1 97 LEU QD . . 5.440 5.725 5.389 6.778 1.338 8 4 "[ *. -+ 1 . *2]" 1
959 1 76 ASP QB 1 97 LEU QD . . 4.850 3.967 3.671 5.122 0.272 19 0 "[ . 1 . 2]" 1
960 1 76 ASP QB 1 99 VAL QG . . 4.530 3.080 2.843 3.158 . 0 0 "[ . 1 . 2]" 1
961 1 77 ASP H 1 77 ASP HB2 . . 3.030 2.480 2.442 2.549 . 0 0 "[ . 1 . 2]" 1
962 1 77 ASP H 1 77 ASP HB3 . . 3.700 2.525 2.459 2.572 . 0 0 "[ . 1 . 2]" 1
963 1 77 ASP H 1 99 VAL HB . . 5.400 3.875 3.747 4.058 . 0 0 "[ . 1 . 2]" 1
964 1 77 ASP H 1 99 VAL QG . . 3.670 2.927 2.798 3.290 . 0 0 "[ . 1 . 2]" 1
965 1 77 ASP HA 1 99 VAL H . . 4.030 3.893 3.743 4.006 . 0 0 "[ . 1 . 2]" 1
966 1 77 ASP HA 1 99 VAL HA . . 5.500 5.410 5.333 5.490 . 0 0 "[ . 1 . 2]" 1
967 1 77 ASP HA 1 99 VAL HB . . 5.500 3.944 3.814 4.030 . 0 0 "[ . 1 . 2]" 1
968 1 77 ASP HA 1 99 VAL QG . . 2.550 2.310 2.239 2.415 . 0 0 "[ . 1 . 2]" 1
969 1 77 ASP HB2 1 98 MET H . . 6.230 6.678 6.296 6.807 0.577 2 4 "[ + -* 1 .* 2]" 1
970 1 77 ASP HB2 1 98 MET HA . . 5.340 4.148 3.832 4.280 . 0 0 "[ . 1 . 2]" 1
971 1 77 ASP HB2 1 99 VAL H . . 3.730 2.979 2.663 3.118 . 0 0 "[ . 1 . 2]" 1
972 1 77 ASP HB2 1 99 VAL HA . . 5.340 4.672 4.526 4.759 . 0 0 "[ . 1 . 2]" 1
973 1 77 ASP HB2 1 99 VAL HB . . 5.500 2.041 1.947 2.152 . 0 0 "[ . 1 . 2]" 1
974 1 77 ASP HB2 1 99 VAL QG . . 5.500 2.380 2.267 2.569 . 0 0 "[ . 1 . 2]" 1
975 1 77 ASP HB3 1 99 VAL HB . . 5.500 3.765 3.644 3.884 . 0 0 "[ . 1 . 2]" 1
976 1 77 ASP HB3 1 99 VAL QG . . 5.500 3.626 3.533 3.793 . 0 0 "[ . 1 . 2]" 1
977 1 78 GLY H 1 99 VAL QG . . 4.940 3.893 3.813 4.075 . 0 0 "[ . 1 . 2]" 1
978 1 78 GLY HA2 1 79 ASN H . . 3.010 2.823 2.789 3.015 0.005 16 0 "[ . 1 . 2]" 1
979 1 79 ASN H 1 79 ASN QB . . 3.390 2.766 2.713 2.883 . 0 0 "[ . 1 . 2]" 1
980 1 79 ASN H 1 80 TYR H . . 4.490 4.248 4.134 4.297 . 0 0 "[ . 1 . 2]" 1
981 1 79 ASN H 1 80 TYR QB . . 5.970 5.942 5.759 6.062 0.092 8 0 "[ . 1 . 2]" 1
982 1 79 ASN HA 1 80 TYR H . . 3.220 2.114 2.103 2.126 . 0 0 "[ . 1 . 2]" 1
983 1 79 ASN HA 1 80 TYR HA . . 5.500 4.428 4.421 4.440 . 0 0 "[ . 1 . 2]" 1
984 1 79 ASN HA 1 94 THR MG . . 5.500 3.413 3.335 3.493 . 0 0 "[ . 1 . 2]" 1
985 1 79 ASN QB 1 80 TYR QE . . 6.580 6.368 6.254 6.519 . 0 0 "[ . 1 . 2]" 1
986 1 79 ASN QB 1 94 THR MG . . 5.500 2.060 1.951 2.237 . 0 0 "[ . 1 . 2]" 1
987 1 80 TYR H 1 80 TYR QB . . 3.490 2.350 2.320 2.370 . 0 0 "[ . 1 . 2]" 1
988 1 80 TYR H 1 80 TYR QE . . 4.510 4.359 4.291 4.403 . 0 0 "[ . 1 . 2]" 1
989 1 80 TYR H 1 94 THR MG . . 4.280 4.273 4.091 4.394 0.114 7 0 "[ . 1 . 2]" 1
990 1 80 TYR HA 1 81 THR H . . 3.130 2.393 2.370 2.516 . 0 0 "[ . 1 . 2]" 1
991 1 80 TYR QB 1 94 THR MG . . 5.340 5.349 5.105 5.464 0.124 13 0 "[ . 1 . 2]" 1
992 1 80 TYR HD1 1 95 GLY QA . . 5.340 4.341 4.065 4.882 . 0 0 "[ . 1 . 2]" 1
993 1 80 TYR HD1 1 97 LEU QB . . 5.340 2.248 1.994 2.412 . 0 0 "[ . 1 . 2]" 1
994 1 80 TYR QE 1 94 THR MG . . 7.550 7.343 7.227 7.490 . 0 0 "[ . 1 . 2]" 1
995 1 80 TYR QE 1 97 LEU HA . . 5.500 5.236 5.081 5.476 . 0 0 "[ . 1 . 2]" 1
996 1 80 TYR QE 1 97 LEU QB . . 5.340 2.299 2.135 2.572 . 0 0 "[ . 1 . 2]" 1
997 1 80 TYR QE 1 97 LEU QD . . 5.500 2.310 2.090 3.073 . 0 0 "[ . 1 . 2]" 1
998 1 81 THR H 1 81 THR HB . . 3.700 2.550 2.532 2.572 . 0 0 "[ . 1 . 2]" 1
999 1 81 THR H 1 81 THR MG . . 4.630 3.783 3.780 3.788 . 0 0 "[ . 1 . 2]" 1
1000 1 81 THR H 1 82 ILE HA . . 5.550 5.544 5.517 5.563 0.013 16 0 "[ . 1 . 2]" 1
1001 1 81 THR HA 1 82 ILE H . . 3.400 2.117 2.102 2.133 . 0 0 "[ . 1 . 2]" 1
1002 1 81 THR HA 1 82 ILE MG . . 5.500 3.404 3.305 3.624 . 0 0 "[ . 1 . 2]" 1
1003 1 81 THR HA 1 93 CYS H . . 4.380 4.400 4.172 4.633 0.253 5 0 "[ . 1 . 2]" 1
1004 1 81 THR HA 1 94 THR HA . . 5.500 2.523 2.068 2.717 . 0 0 "[ . 1 . 2]" 1
1005 1 81 THR HA 1 94 THR MG . . 5.500 3.973 3.511 4.112 . 0 0 "[ . 1 . 2]" 1
1006 1 81 THR HB 1 82 ILE MG . . 5.500 5.415 5.133 5.569 0.069 5 0 "[ . 1 . 2]" 1
1007 1 81 THR MG 1 82 ILE H . . 3.800 2.513 2.414 2.615 . 0 0 "[ . 1 . 2]" 1
1008 1 81 THR MG 1 82 ILE MG . . 5.500 3.644 3.553 4.284 . 0 0 "[ . 1 . 2]" 1
1009 1 81 THR MG 1 83 MET HA . . 5.500 4.256 4.091 4.701 . 0 0 "[ . 1 . 2]" 1
1010 1 81 THR MG 1 91 VAL QG . . 5.540 5.595 5.365 5.916 0.376 8 0 "[ . 1 . 2]" 1
1011 1 81 THR MG 1 92 SER H . . 5.500 5.472 5.169 5.966 0.466 8 0 "[ . 1 . 2]" 1
1012 1 81 THR MG 1 92 SER HA . . 5.500 3.572 3.267 4.140 . 0 0 "[ . 1 . 2]" 1
1013 1 81 THR MG 1 92 SER QB . . 5.340 2.744 2.172 3.787 . 0 0 "[ . 1 . 2]" 1
1014 1 81 THR MG 1 93 CYS H . . 5.500 2.784 2.469 3.216 . 0 0 "[ . 1 . 2]" 1
1015 1 81 THR MG 1 93 CYS HA . . 5.500 4.092 3.877 4.430 . 0 0 "[ . 1 . 2]" 1
1016 1 81 THR MG 1 93 CYS QB . . 5.340 4.235 4.042 4.474 . 0 0 "[ . 1 . 2]" 1
1017 1 81 THR MG 1 94 THR HA . . 5.500 2.704 2.350 2.883 . 0 0 "[ . 1 . 2]" 1
1018 1 82 ILE H 1 82 ILE MD . . 5.500 4.504 3.839 4.593 . 0 0 "[ . 1 . 2]" 1
1019 1 82 ILE H 1 82 ILE MG . . 3.570 1.922 1.813 2.886 . 0 0 "[ . 1 . 2]" 1
1020 1 82 ILE H 1 94 THR HA . . 5.110 3.811 3.412 3.958 . 0 0 "[ . 1 . 2]" 1
1021 1 82 ILE MD 1 84 ALA HA . . 5.500 4.773 4.454 5.756 0.256 2 0 "[ . 1 . 2]" 1
1022 1 82 ILE MD 1 84 ALA MB . . 5.500 3.888 3.442 4.550 . 0 0 "[ . 1 . 2]" 1
1023 1 82 ILE MD 1 85 ALA H . . 6.190 6.427 6.106 7.543 1.353 2 3 "[ + - * 1 . 2]" 1
1024 1 82 ILE MD 1 92 SER HA . . 6.060 5.818 5.258 6.293 0.233 4 0 "[ . 1 . 2]" 1
1025 1 82 ILE MG 1 83 MET HA . . 5.500 4.286 3.914 5.458 . 0 0 "[ . 1 . 2]" 1
1026 1 82 ILE MG 1 84 ALA HA . . 5.500 6.207 5.873 6.606 1.106 8 17 "[** ***-+ ****** ****]" 1
1027 1 82 ILE MG 1 92 SER HA . . 5.500 4.194 3.761 6.095 0.595 8 1 "[ . + 1 . 2]" 1
1028 1 82 ILE MG 1 92 SER QB . . 5.340 5.028 4.492 6.191 0.851 8 1 "[ . + 1 . 2]" 1
1029 1 82 ILE MG 1 93 CYS H . . 4.270 2.861 2.601 4.983 0.713 8 1 "[ . + 1 . 2]" 1
1030 1 82 ILE MG 1 94 THR HA . . 5.500 4.511 4.361 5.227 . 0 0 "[ . 1 . 2]" 1
1031 1 83 MET HA 1 84 ALA H . . 3.330 2.094 2.088 2.135 . 0 0 "[ . 1 . 2]" 1
1032 1 83 MET HA 1 91 VAL QG . . 5.440 4.261 3.788 4.898 . 0 0 "[ . 1 . 2]" 1
1033 1 83 MET HA 1 92 SER HA . . 5.500 2.383 2.152 2.792 . 0 0 "[ . 1 . 2]" 1
1034 1 83 MET HA 1 92 SER QB . . 5.500 3.658 3.054 4.300 . 0 0 "[ . 1 . 2]" 1
1035 1 83 MET QB 1 85 ALA MB . . 5.500 3.919 3.568 4.801 . 0 0 "[ . 1 . 2]" 1
1036 1 83 MET QB 1 90 ARG QB . . 4.760 4.626 4.360 5.548 0.788 2 1 "[ + . 1 . 2]" 1
1037 1 83 MET QB 1 92 SER QB . . 5.500 3.561 2.556 4.302 . 0 0 "[ . 1 . 2]" 1
1038 1 83 MET QG 1 84 ALA H . . 4.710 3.009 2.590 3.383 . 0 0 "[ . 1 . 2]" 1
1039 1 83 MET QG 1 85 ALA MB . . 5.500 2.377 2.111 3.154 . 0 0 "[ . 1 . 2]" 1
1040 1 83 MET QG 1 90 ARG QB . . 4.530 2.661 2.344 3.549 . 0 0 "[ . 1 . 2]" 1
1041 1 83 MET QG 1 90 ARG HD2 . . 4.760 3.212 2.725 4.546 . 0 0 "[ . 1 . 2]" 1
1042 1 83 MET QG 1 90 ARG HG2 . . 5.500 4.983 3.665 6.091 0.591 2 1 "[ + . 1 . 2]" 1
1043 1 83 MET QG 1 90 ARG HG3 . . 5.500 4.083 3.768 4.950 . 0 0 "[ . 1 . 2]" 1
1044 1 83 MET QG 1 92 SER QB . . 4.600 3.642 2.551 4.792 0.192 7 0 "[ . 1 . 2]" 1
1045 1 84 ALA H 1 91 VAL H . . 4.250 2.875 2.584 3.176 . 0 0 "[ . 1 . 2]" 1
1046 1 84 ALA H 1 91 VAL QG . . 4.090 3.246 2.696 4.130 0.040 16 0 "[ . 1 . 2]" 1
1047 1 84 ALA HA 1 85 ALA H . . 3.240 2.308 2.123 2.460 . 0 0 "[ . 1 . 2]" 1
1048 1 84 ALA HA 1 85 ALA HA . . 5.500 4.492 4.396 4.581 . 0 0 "[ . 1 . 2]" 1
1049 1 84 ALA HA 1 85 ALA MB . . 5.500 4.179 3.824 4.294 . 0 0 "[ . 1 . 2]" 1
1050 1 84 ALA MB 1 85 ALA HA . . 5.500 4.315 3.995 4.381 . 0 0 "[ . 1 . 2]" 1
1051 1 84 ALA MB 1 91 VAL QG . . 5.500 2.415 1.934 3.331 . 0 0 "[ . 1 . 2]" 1
1052 1 84 ALA MB 1 92 SER HA . . 5.500 4.997 4.765 5.166 . 0 0 "[ . 1 . 2]" 1
1053 1 85 ALA H 1 85 ALA MB . . 3.570 2.324 2.253 2.682 . 0 0 "[ . 1 . 2]" 1
1054 1 85 ALA HA 1 86 ASN H . . 3.100 2.121 2.109 2.176 . 0 0 "[ . 1 . 2]" 1
1055 1 85 ALA HA 1 90 ARG HA . . 5.500 2.434 2.250 2.612 . 0 0 "[ . 1 . 2]" 1
1056 1 85 ALA HA 1 90 ARG QB . . 5.500 2.209 1.987 3.241 . 0 0 "[ . 1 . 2]" 1
1057 1 85 ALA HA 1 90 ARG HG2 . . 5.500 4.550 1.938 5.044 . 0 0 "[ . 1 . 2]" 1
1058 1 85 ALA HA 1 90 ARG HG3 . . 5.500 4.827 3.532 5.226 . 0 0 "[ . 1 . 2]" 1
1059 1 85 ALA HA 1 91 VAL QG . . 5.440 5.009 4.630 5.432 . 0 0 "[ . 1 . 2]" 1
1060 1 85 ALA MB 1 86 ASN H . . 3.740 3.151 2.874 3.288 . 0 0 "[ . 1 . 2]" 1
1061 1 85 ALA MB 1 86 ASN HA . . 5.500 3.925 3.800 4.001 . 0 0 "[ . 1 . 2]" 1
1062 1 85 ALA MB 1 90 ARG HA . . 5.500 3.898 3.665 4.130 . 0 0 "[ . 1 . 2]" 1
1063 1 85 ALA MB 1 90 ARG HD2 . . 5.500 3.558 3.266 4.019 . 0 0 "[ . 1 . 2]" 1
1064 1 85 ALA MB 1 90 ARG HD3 . . 5.500 3.508 2.725 4.012 . 0 0 "[ . 1 . 2]" 1
1065 1 85 ALA MB 1 90 ARG HG2 . . 5.500 4.527 2.347 4.978 . 0 0 "[ . 1 . 2]" 1
1066 1 85 ALA MB 1 90 ARG HG3 . . 5.500 4.707 3.694 5.137 . 0 0 "[ . 1 . 2]" 1
1067 1 86 ASN H 1 89 GLY H . . 4.810 3.318 3.249 3.415 . 0 0 "[ . 1 . 2]" 1
1068 1 86 ASN H 1 90 ARG QB . . 4.510 3.243 2.783 4.561 0.051 4 0 "[ . 1 . 2]" 1
1069 1 86 ASN HA 1 87 PRO QG . . 5.110 3.920 3.868 3.953 . 0 0 "[ . 1 . 2]" 1
1070 1 87 PRO QB 1 88 GLN QB . . 5.180 4.392 4.240 4.468 . 0 0 "[ . 1 . 2]" 1
1071 1 88 GLN H 1 88 GLN QB . . 3.270 2.459 2.435 2.534 . 0 0 "[ . 1 . 2]" 1
1072 1 88 GLN HA 1 88 GLN QE . . 5.000 3.454 3.389 3.563 . 0 0 "[ . 1 . 2]" 1
1073 1 88 GLN QB 1 89 GLY H . . 4.300 3.331 3.244 3.520 . 0 0 "[ . 1 . 2]" 1
1074 1 90 ARG HA 1 90 ARG HD2 . . 5.500 4.719 4.661 4.748 . 0 0 "[ . 1 . 2]" 1
1075 1 90 ARG HA 1 90 ARG HD3 . . 5.500 4.785 4.278 4.844 . 0 0 "[ . 1 . 2]" 1
1076 1 90 ARG HA 1 91 VAL H . . 3.020 2.258 2.174 2.344 . 0 0 "[ . 1 . 2]" 1
1077 1 90 ARG HA 1 91 VAL QG . . 5.500 3.485 3.365 3.679 . 0 0 "[ . 1 . 2]" 1
1078 1 90 ARG QB 1 91 VAL H . . 3.670 2.543 2.340 2.753 . 0 0 "[ . 1 . 2]" 1
1079 1 90 ARG QB 1 92 SER QB . . 6.020 5.273 4.636 6.147 0.127 10 0 "[ . 1 . 2]" 1
1080 1 91 VAL H 1 91 VAL QG . . 3.250 2.520 2.332 2.802 . 0 0 "[ . 1 . 2]" 1
1081 1 91 VAL HA 1 92 SER H . . 3.490 2.122 2.071 2.173 . 0 0 "[ . 1 . 2]" 1
1082 1 91 VAL HB 1 92 SER H . . 4.080 4.076 3.997 4.180 0.100 4 0 "[ . 1 . 2]" 1
1083 1 91 VAL QG 1 92 SER H . . 3.740 2.332 2.110 2.582 . 0 0 "[ . 1 . 2]" 1
1084 1 91 VAL QG 1 92 SER HA . . 5.500 3.633 3.318 3.895 . 0 0 "[ . 1 . 2]" 1
1085 1 91 VAL QG 1 92 SER QB . . 5.280 4.012 3.862 4.258 . 0 0 "[ . 1 . 2]" 1
1086 1 92 SER HA 1 93 CYS H . . 3.540 2.227 2.155 2.334 . 0 0 "[ . 1 . 2]" 1
1087 1 92 SER QB 1 93 CYS H . . 3.510 2.958 2.435 3.736 0.226 3 0 "[ . 1 . 2]" 1
1088 1 93 CYS H 1 94 THR HA . . 5.500 4.676 4.516 4.804 . 0 0 "[ . 1 . 2]" 1
1089 1 93 CYS HA 1 94 THR H . . 3.060 2.176 2.161 2.207 . 0 0 "[ . 1 . 2]" 1
1090 1 93 CYS HA 1 94 THR HB . . 5.500 4.687 4.635 4.718 . 0 0 "[ . 1 . 2]" 1
1091 1 93 CYS QB 1 94 THR H . . 3.840 3.737 3.095 3.831 . 0 0 "[ . 1 . 2]" 1
1092 1 94 THR H 1 94 THR HB . . 3.500 2.527 2.496 2.555 . 0 0 "[ . 1 . 2]" 1
1093 1 94 THR H 1 94 THR MG . . 4.350 3.790 3.782 3.801 . 0 0 "[ . 1 . 2]" 1
1094 1 94 THR MG 1 95 GLY H . . 5.500 2.709 2.614 3.015 . 0 0 "[ . 1 . 2]" 1
1095 1 96 ARG HA 1 97 LEU H . . 3.280 2.108 2.095 2.125 . 0 0 "[ . 1 . 2]" 1
1096 1 96 ARG HA 1 97 LEU QB . . 5.340 4.119 4.061 4.148 . 0 0 "[ . 1 . 2]" 1
1097 1 96 ARG QB 1 97 LEU HA . . 5.500 4.559 4.489 4.627 . 0 0 "[ . 1 . 2]" 1
1098 1 96 ARG QD 1 97 LEU H . . 4.920 4.923 3.149 5.239 0.319 13 0 "[ . 1 . 2]" 1
1099 1 96 ARG QG 1 97 LEU H . . 5.500 3.149 2.895 3.372 . 0 0 "[ . 1 . 2]" 1
1100 1 96 ARG QG 1 98 MET QG . . 5.500 3.102 2.316 6.018 0.518 8 1 "[ . + 1 . 2]" 1
1101 1 97 LEU H 1 97 LEU QB . . 3.630 2.440 2.184 2.564 . 0 0 "[ . 1 . 2]" 1
1102 1 97 LEU H 1 97 LEU QD . . 4.610 3.768 3.043 3.977 . 0 0 "[ . 1 . 2]" 1
1103 1 97 LEU HA 1 98 MET HA . . 5.500 4.405 4.368 4.422 . 0 0 "[ . 1 . 2]" 1
1104 1 97 LEU QB 1 98 MET HA . . 5.340 4.757 4.249 4.885 . 0 0 "[ . 1 . 2]" 1
1105 1 97 LEU QB 1 98 MET QG . . 5.220 5.420 5.212 6.364 1.144 13 5 "[ *. *- 1 + . *2]" 1
1106 1 97 LEU QB 1 99 VAL QG . . 5.280 4.163 3.342 4.432 . 0 0 "[ . 1 . 2]" 1
1107 1 97 LEU QD 1 98 MET H . . 4.650 2.871 2.481 4.221 . 0 0 "[ . 1 . 2]" 1
1108 1 97 LEU QD 1 99 VAL HA . . 5.500 4.624 4.215 5.831 0.331 19 0 "[ . 1 . 2]" 1
1109 1 97 LEU QD 1 99 VAL QG . . 4.850 3.200 2.940 4.102 . 0 0 "[ . 1 . 2]" 1
1110 1 97 LEU HG 1 99 VAL QG . . 5.440 3.355 2.765 5.686 0.246 19 0 "[ . 1 . 2]" 1
1111 1 98 MET HA 1 99 VAL H . . 3.070 2.162 2.108 2.203 . 0 0 "[ . 1 . 2]" 1
1112 1 98 MET QB 1 100 GLN QG . . 6.930 5.695 4.105 6.963 0.033 6 0 "[ . 1 . 2]" 1
1113 1 99 VAL H 1 99 VAL HB . . 3.760 2.617 2.573 2.701 . 0 0 "[ . 1 . 2]" 1
1114 1 99 VAL H 1 99 VAL QG . . 3.600 2.652 2.604 2.690 . 0 0 "[ . 1 . 2]" 1
1115 1 99 VAL HA 1 100 GLN H . . 3.210 2.068 2.056 2.106 . 0 0 "[ . 1 . 2]" 1
1116 1 99 VAL HA 1 100 GLN QG . . 5.620 4.951 3.578 5.679 0.059 14 0 "[ . 1 . 2]" 1
1117 1 99 VAL HA 1 101 ALA H . . 5.740 5.919 5.567 6.329 0.589 7 2 "[ . + 1 .- 2]" 1
1118 1 99 VAL QG 1 100 GLN H . . 3.590 2.621 2.348 2.809 . 0 0 "[ . 1 . 2]" 1
1119 1 99 VAL QG 1 100 GLN HA . . 5.500 3.718 3.479 3.838 . 0 0 "[ . 1 . 2]" 1
1120 1 99 VAL QG 1 101 ALA HA . . 5.440 3.791 3.198 4.565 . 0 0 "[ . 1 . 2]" 1
1121 1 100 GLN H 1 100 GLN QG . . 3.900 3.501 2.537 4.114 0.214 4 0 "[ . 1 . 2]" 1
1122 1 100 GLN H 1 101 ALA MB . . 5.750 5.690 5.525 5.773 0.023 16 0 "[ . 1 . 2]" 1
1123 1 100 GLN HA 1 101 ALA MB . . 5.500 3.985 3.965 4.161 . 0 0 "[ . 1 . 2]" 1
1124 1 101 ALA H 1 101 ALA MB . . 3.070 2.246 2.239 2.272 . 0 0 "[ . 1 . 2]" 1
1125 1 101 ALA H 1 102 VAL QG . . 5.440 4.852 4.165 5.510 0.070 19 0 "[ . 1 . 2]" 1
1126 1 101 ALA HA 1 102 VAL HB . . 5.500 4.582 4.465 4.823 . 0 0 "[ . 1 . 2]" 1
1127 1 101 ALA HA 1 102 VAL QG . . 5.500 3.482 3.388 3.637 . 0 0 "[ . 1 . 2]" 1
1128 1 101 ALA MB 1 102 VAL HA . . 5.500 4.200 4.081 4.429 . 0 0 "[ . 1 . 2]" 1
1129 1 101 ALA MB 1 102 VAL QG . . 5.440 4.115 3.943 4.336 . 0 0 "[ . 1 . 2]" 1
1130 1 101 ALA MB 1 103 ASN QD . . 5.500 4.991 4.020 5.983 0.483 18 0 "[ . 1 . 2]" 1
1131 1 102 VAL HA 1 105 ARG H . . 5.500 4.360 4.144 4.475 . 0 0 "[ . 1 . 2]" 1
1132 1 102 VAL HB 1 104 GLN HE21 . . 9.000 8.129 7.821 8.712 . 0 0 "[ . 1 . 2]" 1
1133 1 102 VAL HB 1 104 GLN HE22 . . 9.000 9.231 7.880 9.533 0.533 12 1 "[ . 1 + . 2]" 1
1134 1 102 VAL QG 1 103 ASN QD . . 5.440 5.423 5.125 5.611 0.171 19 0 "[ . 1 . 2]" 1
1135 1 102 VAL QG 1 104 GLN H . . 4.160 1.972 1.784 2.224 . 0 0 "[ . 1 . 2]" 1
1136 1 102 VAL QG 1 104 GLN HA . . 5.500 3.984 3.919 4.096 . 0 0 "[ . 1 . 2]" 1
1137 1 102 VAL QG 1 104 GLN HE21 . . 5.500 5.062 4.941 5.274 . 0 0 "[ . 1 . 2]" 1
1138 1 102 VAL QG 1 104 GLN HE22 . . 6.230 5.950 5.078 6.209 . 0 0 "[ . 1 . 2]" 1
1139 1 102 VAL QG 1 105 ARG H . . 5.500 2.006 1.885 2.189 . 0 0 "[ . 1 . 2]" 1
1140 1 105 ARG H 1 105 ARG HG2 . . 5.500 4.594 4.471 4.773 . 0 0 "[ . 1 . 2]" 1
1141 1 105 ARG H 1 105 ARG HG3 . . 5.500 4.499 4.435 4.591 . 0 0 "[ . 1 . 2]" 1
1142 1 105 ARG HA 1 105 ARG HD2 . . 5.500 3.967 2.147 4.726 . 0 0 "[ . 1 . 2]" 1
1143 1 105 ARG HA 1 105 ARG HD3 . . 5.500 3.367 2.098 4.798 . 0 0 "[ . 1 . 2]" 1
1144 1 107 ARG H 1 107 ARG HB2 . . 3.570 2.459 2.379 2.519 . 0 0 "[ . 1 . 2]" 1
stop_
save_