NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567897 |
2mb9   |
19392 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb9
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 458
_Distance_constraint_stats_list.Viol_count 1118
_Distance_constraint_stats_list.Viol_total 6112.930
_Distance_constraint_stats_list.Viol_max 4.121
_Distance_constraint_stats_list.Viol_rms 0.3772
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1335
_Distance_constraint_stats_list.Viol_average_violations_only 0.5468
_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 13 GLU 5.176 2.446 2 3 "[-+ .* 1]"
1 14 GLU 13.629 2.446 2 9 [*+-*.*****]
1 15 ASP 14.000 1.096 6 10 [*****+*-**]
1 16 LEU 11.141 1.096 6 10 [*****+*-**]
1 17 THR 8.522 0.832 3 5 "[ *+*. **1]"
1 18 GLU 10.143 1.196 10 8 "[****.* -*+]"
1 19 VAL 20.029 1.196 10 10 [****-****+]
1 20 LYS 3.987 0.512 3 2 "[ + - 1]"
1 21 LYS 19.625 3.220 7 7 "[ *- .*+***]"
1 22 ASP 3.174 0.881 7 2 "[ - . + 1]"
1 23 ALA 3.233 0.684 7 2 "[ - . + 1]"
1 24 LEU 0.791 0.147 5 0 "[ . 1]"
1 25 GLU 3.411 0.579 9 5 "[** . -*+1]"
1 26 ASN 1.248 0.493 1 0 "[ . 1]"
1 27 LEU 0.315 0.190 5 0 "[ . 1]"
1 28 ARG 0.859 0.165 10 0 "[ . 1]"
1 29 VAL 0.651 0.651 1 1 "[+ . 1]"
1 30 TYR 4.158 0.651 1 1 "[+ . 1]"
1 31 LEU 8.340 1.344 4 5 "[* *+. *- 1]"
1 32 CYS 5.819 1.400 10 6 "[** . **-+]"
1 33 GLU 7.056 1.400 10 6 "[** . **-+]"
1 34 LYS 9.566 0.820 10 7 "[* **.* -*+]"
1 35 ILE 10.516 1.344 4 7 "[* *+.* -**]"
1 36 ILE 1.074 0.467 10 0 "[ . 1]"
1 37 ALA 0.781 0.467 10 0 "[ . 1]"
1 38 GLU 23.302 2.463 5 9 [-***+****1]
1 39 ARG 9.675 1.407 1 6 "[+*- .* * *]"
1 40 HIS 0.000 0.000 . 0 "[ . 1]"
1 41 PHE 6.966 1.407 1 4 "[+ .* * *]"
1 42 ASP 3.256 0.681 8 2 "[- . + 1]"
1 43 HIS 2.997 0.378 2 0 "[ . 1]"
1 44 LEU 15.652 2.525 7 10 [******+-**]
1 45 ARG 4.994 0.806 7 4 "[- * . + *]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 6.129 0.978 7 3 "[* -. + 1]"
1 48 LYS 24.522 2.525 7 10 [-*****+***]
1 49 ILE 11.015 0.978 7 4 "[* -. + *]"
1 50 LEU 9.026 1.440 6 7 "[- **.+ ***]"
1 51 SER 4.069 0.767 3 4 "[- + . **1]"
1 52 ARG 2.916 0.362 2 0 "[ . 1]"
1 53 GLU 4.237 0.820 6 1 "[ .+ 1]"
1 54 ASP 42.331 2.473 1 10 [+****-****]
1 55 THR 2.871 1.440 6 2 "[ -.+ 1]"
1 56 ARG 33.388 4.121 7 10 [******+-**]
1 57 GLU 56.528 2.473 1 10 [+*********]
1 58 ILE 41.236 4.121 7 10 [***-**+***]
1 59 SER 30.734 2.779 6 10 [-****+****]
1 60 CYS 10.062 2.090 8 6 "[*- *.**+ 1]"
1 61 ARG 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 SER 0.000 0.000 . 0 "[ . 1]"
1 65 ARG 3.765 0.904 2 3 "[ +* .- 1]"
1 66 LYS 20.954 1.701 2 9 "[*+* ****-*]"
1 67 ARG 32.843 2.779 6 10 [*****+****]
1 68 ALA 15.130 2.463 5 8 "[ *-*+****1]"
1 69 GLY 0.950 0.476 5 0 "[ . 1]"
1 70 LYS 15.842 1.913 4 10 [***+*****-]
1 71 LEU 23.574 1.913 4 10 [***+******]
1 72 LEU 3.547 0.569 4 2 "[ +.- 1]"
1 73 ASP 21.097 2.101 3 10 [**+***-***]
1 74 TYR 22.894 2.101 3 10 [**+***-***]
1 75 LEU 16.594 2.528 6 9 [*****+-**1]
1 76 GLN 26.077 1.983 10 10 [******-**+]
1 77 GLU 16.971 1.558 8 9 "[****-**+ *]"
1 78 ASN 16.705 3.220 7 8 "[ ** **+**-]"
1 79 PRO 0.325 0.204 9 0 "[ . 1]"
1 80 LYS 1.341 0.377 6 0 "[ . 1]"
1 81 GLY 15.935 2.528 6 9 "[****-+* **]"
1 82 LEU 2.304 0.609 6 2 "[ - .+ 1]"
1 83 ASP 1.237 0.609 6 2 "[ - .+ 1]"
1 84 THR 0.348 0.348 8 0 "[ . 1]"
1 85 LEU 7.548 2.562 8 5 "[ * - *+ *]"
1 86 VAL 7.786 0.728 10 10 [******-**+]
1 87 GLU 13.416 2.562 8 10 [******-+**]
1 88 SER 0.842 0.842 2 1 "[ + . 1]"
1 89 ILE 1.829 1.117 5 1 "[ + 1]"
1 90 ARG 4.564 1.117 5 3 "[ *+ -1]"
1 91 ARG 7.091 0.686 1 7 "[+ -** ***1]"
1 92 GLU 6.708 1.558 1 4 "[+ * *-1]"
1 93 LYS 0.000 0.000 . 0 "[ . 1]"
1 94 THR 0.153 0.092 7 0 "[ . 1]"
1 95 GLN 6.444 1.558 1 5 "[+ * -**]"
1 96 ASN 1.687 0.677 2 1 "[ + . 1]"
1 97 PHE 1.291 0.677 2 1 "[ + . 1]"
1 98 LEU 9.339 1.911 4 5 "[ * +.*- *1]"
1 99 ILE 19.956 1.633 6 10 [*****+****]
1 100 GLN 26.083 2.234 4 10 [-**+******]
1 101 LYS 24.057 1.633 6 10 [***-*+****]
1 102 ILE 20.997 2.234 4 10 [***+******]
1 103 THR 0.000 0.000 . 0 "[ . 1]"
1 104 ASP 7.893 1.430 4 7 "[* -+. ****]"
1 105 GLU 2.192 0.308 9 0 "[ . 1]"
1 106 VAL 0.000 0.000 . 0 "[ . 1]"
1 107 LEU 19.315 2.271 6 10 [*****+*-**]
1 108 LYS 1.763 0.342 10 0 "[ . 1]"
1 109 LEU 38.758 2.271 6 10 [*****+-***]
1 110 ARG 27.533 2.452 5 10 [****+*-***]
1 111 ASN 4.987 0.814 2 5 "[ +- .* **]"
1 112 ILE 0.015 0.015 7 0 "[ . 1]"
1 113 LYS 19.535 2.452 5 10 [****+**-**]
1 114 LEU 2.877 0.825 7 1 "[ . + 1]"
1 115 GLU 5.927 0.745 8 6 "[ * ** +-*]"
1 116 HIS 0.000 0.000 . 0 "[ . 1]"
1 117 LEU 17.383 1.654 7 8 "[ ** **+**-]"
1 118 LYS 10.265 1.654 7 7 "[ ** **+ *-]"
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 13 GLU H 1 14 GLU H 4.500 . 4.500 2.239 1.731 3.463 0.069 10 0 "[ . 1]" 1
2 1 13 GLU H 1 14 GLU QG 4.500 . 4.500 4.563 3.642 6.946 2.446 2 3 "[-+ .* 1]" 1
3 1 13 GLU HA 1 13 GLU HB2 . . 2.800 2.603 2.411 2.969 0.169 4 0 "[ . 1]" 1
4 1 13 GLU HA 1 13 GLU QG 3.500 . 3.500 3.241 2.414 3.444 . 0 0 "[ . 1]" 1
5 1 13 GLU HA 1 16 LEU QB 3.500 . 3.500 3.333 2.648 3.526 0.026 6 0 "[ . 1]" 1
6 1 13 GLU QG 1 14 GLU H 4.500 . 4.500 3.243 2.271 4.724 0.224 7 0 "[ . 1]" 1
7 1 14 GLU H 1 14 GLU HB2 2.800 . 2.800 2.991 2.273 3.505 0.705 7 4 "[* - . + *]" 1
8 1 14 GLU H 1 15 ASP H 4.500 . 4.500 3.044 2.503 3.293 . 0 0 "[ . 1]" 1
9 1 14 GLU H 1 17 THR H 4.500 . 4.500 4.865 4.546 5.069 0.569 2 4 "[ +-*. * 1]" 1
10 1 14 GLU HA 1 15 ASP H 4.500 . 4.500 3.551 3.437 3.623 . 0 0 "[ . 1]" 1
11 1 14 GLU HA 1 17 THR H 3.500 . 3.500 3.624 3.207 4.332 0.832 3 2 "[ + . -1]" 1
12 1 14 GLU HB2 1 15 ASP H 3.500 . 3.500 3.007 2.046 3.710 0.210 2 0 "[ . 1]" 1
13 1 15 ASP H 1 16 LEU H 4.500 . 4.500 2.702 2.348 3.137 . 0 0 "[ . 1]" 1
14 1 15 ASP H 1 16 LEU HA 4.500 . 4.500 5.339 5.047 5.596 1.096 6 10 [**-**+****] 1
15 1 15 ASP HA 1 16 LEU H 5.500 . 5.500 3.459 3.393 3.588 . 0 0 "[ . 1]" 1
16 1 15 ASP HA 1 18 GLU H 4.500 . 4.500 4.608 3.809 5.539 1.039 9 3 "[ * . -+1]" 1
17 1 15 ASP QB 1 16 LEU H 4.500 . 4.500 2.945 2.691 3.601 . 0 0 "[ . 1]" 1
18 1 15 ASP QB 1 17 THR H 4.500 . 4.500 4.695 4.502 4.961 0.461 2 0 "[ . 1]" 1
19 1 16 LEU H 1 16 LEU QB 2.800 . 2.800 2.670 2.480 2.881 0.081 2 0 "[ . 1]" 1
20 1 16 LEU HA 1 19 VAL H 4.500 . 4.500 4.604 4.263 5.204 0.704 2 2 "[ + . - 1]" 1
21 1 16 LEU QB 1 17 THR H 4.500 . 4.500 3.271 2.747 3.678 . 0 0 "[ . 1]" 1
22 1 16 LEU QB 1 107 LEU HA 3.500 . 3.500 2.759 2.176 3.292 . 0 0 "[ . 1]" 1
23 1 16 LEU QB 1 109 LEU QB 5.500 . 5.500 4.980 4.291 5.828 0.328 10 0 "[ . 1]" 1
24 1 16 LEU QB 1 110 ARG H 5.500 . 5.500 4.172 3.842 4.472 . 0 0 "[ . 1]" 1
25 1 16 LEU HG 1 110 ARG HA 4.500 . 4.500 4.180 3.059 4.642 0.142 2 0 "[ . 1]" 1
26 1 17 THR H 1 17 THR HB 3.500 . 3.500 3.201 2.642 3.852 0.352 2 0 "[ . 1]" 1
27 1 17 THR H 1 18 GLU H . . 3.500 2.817 2.307 3.340 . 0 0 "[ . 1]" 1
28 1 17 THR HB 1 18 GLU H 4.500 . 4.500 3.611 3.089 4.243 . 0 0 "[ . 1]" 1
29 1 18 GLU H 1 18 GLU HB2 2.800 . 2.800 2.682 2.086 3.709 0.909 2 1 "[ + . 1]" 1
30 1 18 GLU HB2 1 19 VAL H 4.500 . 4.500 2.935 2.601 3.529 . 0 0 "[ . 1]" 1
31 1 18 GLU QG 1 19 VAL H 3.500 . 3.500 3.978 2.278 4.696 1.196 10 5 "[* *.- * +]" 1
32 1 19 VAL H 1 19 VAL HB 2.800 . 2.800 3.591 3.556 3.642 0.842 5 10 [****+***-*] 1
33 1 19 VAL H 1 109 LEU QB 5.500 . 5.500 4.800 4.579 4.993 . 0 0 "[ . 1]" 1
34 1 19 VAL HA 1 20 LYS H 3.500 . 3.500 3.402 3.345 3.447 . 0 0 "[ . 1]" 1
35 1 19 VAL HA 1 22 ASP H 4.500 . 4.500 3.786 3.013 4.713 0.213 8 0 "[ . 1]" 1
36 1 19 VAL HB 1 20 LYS H 3.500 . 3.500 3.884 3.715 4.012 0.512 3 2 "[ + - 1]" 1
37 1 20 LYS H 1 21 LYS H 4.500 . 4.500 3.036 2.788 3.185 . 0 0 "[ . 1]" 1
38 1 20 LYS HA 1 23 ALA H 4.500 . 4.500 3.371 2.970 3.807 . 0 0 "[ . 1]" 1
39 1 20 LYS HA 1 109 LEU HG 5.500 . 5.500 5.082 3.838 5.585 0.085 8 0 "[ . 1]" 1
40 1 21 LYS H 1 21 LYS QB 2.800 . 2.800 2.264 2.065 2.532 . 0 0 "[ . 1]" 1
41 1 21 LYS H 1 21 LYS QD 4.500 . 4.500 4.150 2.813 4.765 0.265 6 0 "[ . 1]" 1
42 1 21 LYS H 1 22 ASP H 3.500 . 3.500 2.679 2.426 3.060 . 0 0 "[ . 1]" 1
43 1 21 LYS HA 1 22 ASP H 5.500 . 5.500 3.492 3.366 3.590 . 0 0 "[ . 1]" 1
44 1 21 LYS HA 1 76 GLN QE 3.500 . 3.500 3.269 2.655 3.517 0.017 10 0 "[ . 1]" 1
45 1 21 LYS QB 1 22 ASP H 2.800 . 2.800 2.889 2.108 3.681 0.881 7 2 "[ - . + 1]" 1
46 1 21 LYS QB 1 23 ALA H 4.500 . 4.500 4.808 4.350 5.184 0.684 7 2 "[ - . + 1]" 1
47 1 21 LYS QE 1 76 GLN QE 2.800 . 2.800 2.113 1.671 2.492 0.029 6 0 "[ . 1]" 1
48 1 21 LYS QE 1 78 ASN H 4.500 . 4.500 5.801 3.760 7.720 3.220 7 7 "[ ** .*+**-]" 1
49 1 22 ASP H 1 22 ASP HB3 3.500 . 3.500 3.167 2.370 3.665 0.165 7 0 "[ . 1]" 1
50 1 22 ASP H 1 23 ALA H 3.500 . 3.500 2.406 2.216 2.699 . 0 0 "[ . 1]" 1
51 1 22 ASP H 1 24 LEU H 4.500 . 4.500 3.944 3.538 4.135 . 0 0 "[ . 1]" 1
52 1 22 ASP HA 1 23 ALA H 5.500 . 5.500 3.486 3.413 3.558 . 0 0 "[ . 1]" 1
53 1 22 ASP HB2 1 23 ALA H 5.500 . 5.500 3.184 2.362 3.995 . 0 0 "[ . 1]" 1
54 1 23 ALA H 1 24 LEU H . . 3.500 2.661 2.469 2.924 . 0 0 "[ . 1]" 1
55 1 23 ALA HA 1 26 ASN H 5.500 . 5.500 3.764 3.401 4.277 . 0 0 "[ . 1]" 1
56 1 23 ALA HA 1 26 ASN QB 5.500 . 5.500 3.898 3.044 5.339 . 0 0 "[ . 1]" 1
57 1 24 LEU H 1 24 LEU HB2 3.500 . 3.500 2.414 2.170 2.568 . 0 0 "[ . 1]" 1
58 1 24 LEU H 1 24 LEU HB3 3.500 . 3.500 3.373 2.325 3.647 0.147 5 0 "[ . 1]" 1
59 1 24 LEU H 1 24 LEU HG 4.500 . 4.500 3.256 1.904 4.498 . 0 0 "[ . 1]" 1
60 1 24 LEU H 1 25 GLU HA 5.500 . 5.500 5.239 5.066 5.511 0.011 10 0 "[ . 1]" 1
61 1 24 LEU HA 1 27 LEU HB2 4.500 . 4.500 2.654 1.885 3.120 . 0 0 "[ . 1]" 1
62 1 24 LEU HB3 1 25 GLU H 5.500 . 5.500 3.743 2.866 4.173 . 0 0 "[ . 1]" 1
63 1 24 LEU HB3 1 28 ARG H 5.500 . 5.500 4.817 4.385 5.612 0.112 10 0 "[ . 1]" 1
64 1 25 GLU H 1 25 GLU QG 3.500 . 3.500 3.366 2.075 4.079 0.579 9 5 "[** . -*+1]" 1
65 1 25 GLU H 1 26 ASN H 3.500 . 3.500 2.659 2.418 3.055 . 0 0 "[ . 1]" 1
66 1 25 GLU H 1 26 ASN H 2.800 . 2.800 2.240 2.146 2.344 . 0 0 "[ . 1]" 1
67 1 25 GLU QB 1 27 LEU H 4.500 . 4.500 4.368 4.020 4.690 0.190 5 0 "[ . 1]" 1
68 1 26 ASN QB 1 26 ASN HD21 2.800 . 2.800 2.266 2.132 2.837 0.037 8 0 "[ . 1]" 1
69 1 26 ASN QB 1 30 TYR H 4.500 . 4.500 4.501 4.119 4.993 0.493 1 0 "[ . 1]" 1
70 1 27 LEU H 1 27 LEU HB2 2.800 . 2.800 2.370 2.060 2.537 . 0 0 "[ . 1]" 1
71 1 27 LEU H 1 29 VAL H 5.500 . 5.500 4.013 3.809 4.328 . 0 0 "[ . 1]" 1
72 1 27 LEU HG 1 102 ILE HA 5.500 . 5.500 5.397 4.837 5.543 0.043 7 0 "[ . 1]" 1
73 1 28 ARG H 1 28 ARG HB2 . . 3.500 2.632 2.374 3.602 0.102 8 0 "[ . 1]" 1
74 1 28 ARG H 1 29 VAL H 4.500 . 4.500 2.704 2.569 2.853 . 0 0 "[ . 1]" 1
75 1 28 ARG HA 1 31 LEU H 5.500 . 5.500 4.383 3.964 4.839 . 0 0 "[ . 1]" 1
76 1 28 ARG HA 1 72 LEU HB3 4.500 . 4.500 3.663 2.583 4.665 0.165 10 0 "[ . 1]" 1
77 1 28 ARG HA 1 72 LEU HG 4.500 . 4.500 4.480 4.080 4.624 0.124 10 0 "[ . 1]" 1
78 1 28 ARG HB2 1 29 VAL H 5.500 . 5.500 4.068 3.769 4.223 . 0 0 "[ . 1]" 1
79 1 29 VAL H 1 29 VAL HB 2.800 . 2.800 2.560 2.525 2.711 . 0 0 "[ . 1]" 1
80 1 29 VAL H 1 30 TYR H 3.500 . 3.500 2.641 2.503 2.776 . 0 0 "[ . 1]" 1
81 1 29 VAL HB 1 30 TYR H 3.500 . 3.500 2.510 2.207 4.151 0.651 1 1 "[+ . 1]" 1
82 1 30 TYR H 1 30 TYR HB2 3.500 . 3.500 3.730 3.657 3.764 0.264 6 0 "[ . 1]" 1
83 1 30 TYR H 1 30 TYR HB3 3.500 . 3.500 2.804 2.544 2.917 . 0 0 "[ . 1]" 1
84 1 30 TYR H 1 31 LEU H 3.500 . 3.500 2.615 2.423 2.747 . 0 0 "[ . 1]" 1
85 1 30 TYR HB3 1 31 LEU H 5.500 . 5.500 4.269 4.142 4.360 . 0 0 "[ . 1]" 1
86 1 31 LEU H 1 31 LEU HG 3.500 . 3.500 3.752 3.086 4.595 1.095 4 3 "[ *+. - 1]" 1
87 1 31 LEU H 1 32 CYS H 4.500 . 4.500 2.500 2.338 2.677 . 0 0 "[ . 1]" 1
88 1 31 LEU HA 1 34 LYS H 5.500 . 5.500 3.620 2.971 3.969 . 0 0 "[ . 1]" 1
89 1 31 LEU QB 1 34 LYS H 4.500 . 4.500 4.729 4.289 5.304 0.804 3 3 "[* + . - 1]" 1
90 1 31 LEU QB 1 35 ILE H 4.500 . 4.500 4.441 3.747 5.844 1.344 4 2 "[ -+. 1]" 1
91 1 32 CYS H 1 32 CYS HB3 3.500 . 3.500 2.591 2.396 3.534 0.034 6 0 "[ . 1]" 1
92 1 32 CYS H 1 33 GLU H 4.500 . 4.500 2.883 2.604 3.303 . 0 0 "[ . 1]" 1
93 1 32 CYS H 1 33 GLU QB 4.500 . 4.500 5.033 4.210 5.900 1.400 10 6 "[** . **-+]" 1
94 1 32 CYS HA 1 33 GLU H 4.500 . 4.500 3.494 3.369 3.599 . 0 0 "[ . 1]" 1
95 1 32 CYS HA 1 35 ILE H 4.500 . 4.500 3.668 3.148 4.567 0.067 10 0 "[ . 1]" 1
96 1 33 GLU H 1 33 GLU HA 2.800 . 2.800 2.860 2.741 2.915 0.115 7 0 "[ . 1]" 1
97 1 33 GLU H 1 33 GLU QB 2.800 . 2.800 2.582 2.030 3.085 0.285 1 0 "[ . 1]" 1
98 1 33 GLU H 1 33 GLU HG3 4.500 . 4.500 3.252 1.986 4.539 0.039 4 0 "[ . 1]" 1
99 1 33 GLU H 1 35 ILE H 4.500 . 4.500 3.993 3.627 4.267 . 0 0 "[ . 1]" 1
100 1 33 GLU HA 1 34 LYS H 4.500 . 4.500 3.377 3.207 3.525 . 0 0 "[ . 1]" 1
101 1 34 LYS H 1 34 LYS QG 3.500 . 3.500 3.158 2.479 4.130 0.630 3 1 "[ + . 1]" 1
102 1 34 LYS H 1 35 ILE H 3.500 . 3.500 2.119 1.947 2.365 . 0 0 "[ . 1]" 1
103 1 34 LYS H 1 35 ILE HB 4.500 . 4.500 4.657 3.605 5.198 0.698 9 3 "[ .* -+1]" 1
104 1 34 LYS QB 1 34 LYS HD2 3.500 . 3.500 2.532 2.316 3.127 . 0 0 "[ . 1]" 1
105 1 34 LYS QB 1 35 ILE H 2.800 . 2.800 3.120 2.798 3.620 0.820 10 3 "[- *. +]" 1
106 1 35 ILE H 1 35 ILE HG12 4.500 . 4.500 4.486 4.335 4.650 0.150 10 0 "[ . 1]" 1
107 1 35 ILE H 1 35 ILE HG13 4.500 . 4.500 4.666 4.461 4.799 0.299 9 0 "[ . 1]" 1
108 1 35 ILE HA 1 36 ILE H 3.500 . 3.500 2.147 2.043 2.308 . 0 0 "[ . 1]" 1
109 1 36 ILE HA 1 37 ALA H 2.800 . 2.800 2.329 2.045 3.267 0.467 10 0 "[ . 1]" 1
110 1 36 ILE HB 1 39 ARG HB2 4.500 . 4.500 4.247 3.494 4.666 0.166 1 0 "[ . 1]" 1
111 1 37 ALA H 1 38 GLU H 4.500 . 4.500 2.511 2.011 3.644 . 0 0 "[ . 1]" 1
112 1 38 GLU H 1 38 GLU HB2 2.800 . 2.800 2.333 1.981 2.855 0.055 10 0 "[ . 1]" 1
113 1 38 GLU H 1 38 GLU QG . . 4.500 3.917 3.714 4.063 . 0 0 "[ . 1]" 1
114 1 38 GLU H 1 39 ARG H 4.500 . 4.500 2.840 2.098 3.510 . 0 0 "[ . 1]" 1
115 1 38 GLU HB2 1 39 ARG H 3.500 . 3.500 3.794 3.378 4.205 0.705 1 1 "[+ . 1]" 1
116 1 38 GLU HB2 1 68 ALA HA 3.500 . 3.500 3.672 3.566 3.758 0.258 4 0 "[ . 1]" 1
117 1 38 GLU QG 1 67 ARG QB 3.500 . 3.500 3.699 1.813 5.621 2.121 8 4 "[ - ** + 1]" 1
118 1 38 GLU QG 1 68 ALA H 4.500 . 4.500 5.656 3.506 6.963 2.463 5 8 "[ *-*+****1]" 1
119 1 39 ARG H 1 39 ARG HB2 3.500 . 3.500 2.463 2.254 2.611 . 0 0 "[ . 1]" 1
120 1 39 ARG H 1 39 ARG HB3 3.500 . 3.500 3.447 2.678 3.744 0.244 4 0 "[ . 1]" 1
121 1 39 ARG H 1 39 ARG QG 3.500 . 3.500 2.906 2.206 4.186 0.686 2 2 "[ +- . 1]" 1
122 1 39 ARG H 1 40 HIS H 4.500 . 4.500 2.616 2.337 3.741 . 0 0 "[ . 1]" 1
123 1 39 ARG H 1 41 PHE H 4.500 . 4.500 4.659 3.854 5.907 1.407 1 4 "[+ .- * *]" 1
124 1 39 ARG HA 1 39 ARG HD2 4.500 . 4.500 3.733 1.983 4.540 0.040 10 0 "[ . 1]" 1
125 1 39 ARG HA 1 39 ARG QG 3.500 . 3.500 2.611 2.150 3.058 . 0 0 "[ . 1]" 1
126 1 39 ARG HB3 1 40 HIS H 5.500 . 5.500 3.921 2.966 4.283 . 0 0 "[ . 1]" 1
127 1 40 HIS H 1 41 PHE H 3.500 . 3.500 2.700 2.222 3.394 . 0 0 "[ . 1]" 1
128 1 41 PHE H 1 41 PHE HB3 2.800 . 2.800 2.832 2.509 3.673 0.873 8 2 "[- . + 1]" 1
129 1 41 PHE H 1 42 ASP H 4.500 . 4.500 2.763 1.939 3.369 . 0 0 "[ . 1]" 1
130 1 41 PHE HB3 1 42 ASP H 3.500 . 3.500 3.092 2.174 4.181 0.681 8 2 "[- . + 1]" 1
131 1 42 ASP H 1 42 ASP HB3 . . 2.800 2.573 2.384 2.699 . 0 0 "[ . 1]" 1
132 1 42 ASP HB2 1 43 HIS H 3.500 . 3.500 3.637 2.970 3.878 0.378 2 0 "[ . 1]" 1
133 1 43 HIS H 1 43 HIS HB2 3.500 . 3.500 2.475 2.253 2.648 . 0 0 "[ . 1]" 1
134 1 43 HIS H 1 43 HIS HB3 3.500 . 3.500 3.542 2.832 3.709 0.209 5 0 "[ . 1]" 1
135 1 43 HIS H 1 44 LEU H 4.500 . 4.500 2.558 2.230 2.850 . 0 0 "[ . 1]" 1
136 1 43 HIS HA 1 45 ARG H 5.500 . 5.500 3.843 3.414 4.369 . 0 0 "[ . 1]" 1
137 1 43 HIS HB2 1 44 LEU H 4.500 . 4.500 3.402 3.147 4.031 . 0 0 "[ . 1]" 1
138 1 43 HIS HB3 1 44 LEU H 4.500 . 4.500 3.959 3.320 4.241 . 0 0 "[ . 1]" 1
139 1 44 LEU H 1 45 ARG H . . 3.500 2.504 2.177 3.101 . 0 0 "[ . 1]" 1
140 1 44 LEU HA 1 47 LYS H 5.500 . 5.500 3.365 2.523 3.926 . 0 0 "[ . 1]" 1
141 1 44 LEU HA 1 48 LYS H 2.800 . 2.800 4.365 3.410 5.325 2.525 7 10 [******+-**] 1
142 1 44 LEU QB 1 45 ARG H 3.500 . 3.500 2.980 2.481 3.421 . 0 0 "[ . 1]" 1
143 1 44 LEU QB 1 45 ARG QD 5.500 . 5.500 4.352 2.773 5.488 . 0 0 "[ . 1]" 1
144 1 45 ARG H 1 46 ALA H 3.500 . 3.500 2.441 2.242 2.648 . 0 0 "[ . 1]" 1
145 1 45 ARG H 1 48 LYS QG 4.500 . 4.500 4.992 4.727 5.306 0.806 7 4 "[- * . + *]" 1
146 1 45 ARG HA 1 48 LYS QG 2.800 . 2.800 2.634 2.313 2.865 0.065 7 0 "[ . 1]" 1
147 1 45 ARG HB2 1 45 ARG QD 3.500 . 3.500 2.686 2.358 3.201 . 0 0 "[ . 1]" 1
148 1 46 ALA H 1 47 LYS H 3.500 . 3.500 2.638 2.502 2.824 . 0 0 "[ . 1]" 1
149 1 47 LYS H 1 47 LYS HD2 4.500 . 4.500 4.396 3.912 4.909 0.409 10 0 "[ . 1]" 1
150 1 47 LYS H 1 48 LYS H 4.500 . 4.500 2.265 2.044 2.347 . 0 0 "[ . 1]" 1
151 1 47 LYS HA 1 48 LYS H 4.500 . 4.500 3.474 3.430 3.530 . 0 0 "[ . 1]" 1
152 1 47 LYS HB2 1 49 ILE H 3.500 . 3.500 3.684 2.645 4.034 0.534 1 2 "[+ -. 1]" 1
153 1 47 LYS HB2 1 49 ILE HA 5.500 . 5.500 5.005 4.667 5.384 . 0 0 "[ . 1]" 1
154 1 47 LYS HB3 1 49 ILE HG12 5.500 . 5.500 5.170 3.516 6.478 0.978 7 3 "[- *. + 1]" 1
155 1 48 LYS H 1 48 LYS HA 2.800 . 2.800 2.272 2.224 2.311 . 0 0 "[ . 1]" 1
156 1 48 LYS H 1 48 LYS QG 3.500 . 3.500 2.514 2.314 2.661 . 0 0 "[ . 1]" 1
157 1 48 LYS H 1 49 ILE H . . 3.500 3.022 2.735 3.209 . 0 0 "[ . 1]" 1
158 1 48 LYS HA 1 48 LYS HD2 4.500 . 4.500 4.497 4.377 4.574 0.074 10 0 "[ . 1]" 1
159 1 48 LYS HA 1 49 ILE H 4.500 . 4.500 2.496 2.343 2.889 . 0 0 "[ . 1]" 1
160 1 48 LYS QB 1 48 LYS HD2 3.500 . 3.500 2.331 2.210 2.425 . 0 0 "[ . 1]" 1
161 1 48 LYS QB 1 49 ILE H 3.500 . 3.500 3.860 3.746 3.914 0.414 4 0 "[ . 1]" 1
162 1 48 LYS QG 1 49 ILE H 4.500 . 4.500 4.417 4.319 4.564 0.064 6 0 "[ . 1]" 1
163 1 49 ILE H 1 49 ILE HB 3.500 . 3.500 2.989 2.694 3.453 . 0 0 "[ . 1]" 1
164 1 49 ILE H 1 50 LEU H . . 2.800 2.747 2.320 3.100 0.300 1 0 "[ . 1]" 1
165 1 49 ILE HA 1 50 LEU H 4.500 . 4.500 3.489 3.423 3.550 . 0 0 "[ . 1]" 1
166 1 49 ILE HB 1 50 LEU H 3.500 . 3.500 2.481 1.685 4.411 0.911 10 1 "[ . +]" 1
167 1 49 ILE HG12 1 75 LEU HG 5.500 . 5.500 4.786 3.388 5.632 0.132 7 0 "[ . 1]" 1
168 1 49 ILE HG13 1 50 LEU H 5.500 . 5.500 4.286 3.400 4.948 . 0 0 "[ . 1]" 1
169 1 50 LEU H 1 50 LEU QB 3.500 . 3.500 2.887 2.479 3.372 . 0 0 "[ . 1]" 1
170 1 50 LEU H 1 51 SER HA 4.500 . 4.500 4.827 4.065 5.267 0.767 3 4 "[- + . **1]" 1
171 1 50 LEU QB 1 51 SER H 4.500 . 4.500 2.085 1.713 2.878 0.087 9 0 "[ . 1]" 1
172 1 50 LEU QB 1 55 THR H 5.500 . 5.500 4.536 2.943 6.940 1.440 6 2 "[ -.+ 1]" 1
173 1 52 ARG H 1 53 GLU H 4.500 . 4.500 2.816 2.124 3.332 . 0 0 "[ . 1]" 1
174 1 52 ARG HA 1 52 ARG HB2 . . 2.800 2.638 2.373 2.969 0.169 6 0 "[ . 1]" 1
175 1 52 ARG HA 1 52 ARG HD2 4.500 . 4.500 4.479 4.273 4.579 0.079 1 0 "[ . 1]" 1
176 1 52 ARG HB2 1 52 ARG HD2 2.800 . 2.800 2.870 2.462 3.162 0.362 2 0 "[ . 1]" 1
177 1 52 ARG HD2 1 52 ARG HG3 2.800 . 2.800 2.689 2.202 3.003 0.203 8 0 "[ . 1]" 1
178 1 53 GLU H 1 53 GLU HB2 3.500 . 3.500 2.687 2.267 3.685 0.185 6 0 "[ . 1]" 1
179 1 53 GLU H 1 54 ASP H 4.500 . 4.500 2.549 2.199 3.400 . 0 0 "[ . 1]" 1
180 1 53 GLU H 1 54 ASP QB 5.500 . 5.500 4.567 3.750 5.341 . 0 0 "[ . 1]" 1
181 1 53 GLU HA 1 53 GLU HG3 3.500 . 3.500 3.393 2.514 4.320 0.820 6 1 "[ .+ 1]" 1
182 1 53 GLU HB2 1 54 ASP H 2.800 . 2.800 2.670 1.836 3.404 0.604 6 1 "[ .+ 1]" 1
183 1 53 GLU HG3 1 54 ASP H 5.500 . 5.500 4.773 3.514 5.411 . 0 0 "[ . 1]" 1
184 1 54 ASP H 1 54 ASP QB 3.500 . 3.500 2.457 2.072 2.842 . 0 0 "[ . 1]" 1
185 1 54 ASP HA 1 57 GLU QG 3.500 . 3.500 4.123 1.911 5.673 2.173 2 5 "[*+*-. * 1]" 1
186 1 54 ASP QB 1 55 THR H 4.500 . 4.500 2.924 2.291 3.700 . 0 0 "[ . 1]" 1
187 1 54 ASP QB 1 57 GLU H 2.800 . 2.800 4.884 4.168 5.273 2.473 1 10 [+**-******] 1
188 1 54 ASP QB 1 58 ILE H 4.500 . 4.500 5.495 3.537 6.644 2.144 2 7 "[*+* - ***1]" 1
189 1 56 ARG H 1 56 ARG HB3 3.500 . 3.500 3.068 2.347 3.686 0.186 9 0 "[ . 1]" 1
190 1 56 ARG H 1 56 ARG HG3 5.500 . 5.500 3.682 2.097 4.672 . 0 0 "[ . 1]" 1
191 1 56 ARG H 1 57 GLU H . . 3.500 2.457 2.254 2.634 . 0 0 "[ . 1]" 1
192 1 56 ARG H 1 58 ILE QG 3.500 . 3.500 5.512 4.085 7.621 4.121 7 10 [**-***+***] 1
193 1 56 ARG H 1 59 SER H 5.500 . 5.500 5.759 5.020 7.175 1.675 4 3 "[ +.* - 1]" 1
194 1 56 ARG HA 1 56 ARG HG2 3.500 . 3.500 2.876 2.421 3.662 0.162 7 0 "[ . 1]" 1
195 1 56 ARG HA 1 56 ARG HG3 3.500 . 3.500 3.116 2.718 3.737 0.237 5 0 "[ . 1]" 1
196 1 56 ARG HA 1 57 GLU H 4.500 . 4.500 3.501 3.436 3.543 . 0 0 "[ . 1]" 1
197 1 56 ARG HA 1 59 SER H 4.500 . 4.500 4.433 3.267 6.731 2.231 4 2 "[ +.- 1]" 1
198 1 56 ARG HB3 1 57 GLU H 2.800 . 2.800 3.058 2.204 3.743 0.943 1 4 "[+ *.- * 1]" 1
199 1 56 ARG HG2 1 57 GLU H 5.500 . 5.500 4.543 3.436 5.148 . 0 0 "[ . 1]" 1
200 1 57 GLU H 1 57 GLU QG 3.500 . 3.500 3.128 1.922 4.010 0.510 10 1 "[ . +]" 1
201 1 57 GLU H 1 58 ILE H 4.500 . 4.500 2.744 2.520 3.052 . 0 0 "[ . 1]" 1
202 1 57 GLU H 1 59 SER H 3.500 . 3.500 4.505 4.000 5.445 1.945 4 10 [-**+******] 1
203 1 57 GLU H 1 60 CYS H 4.500 . 4.500 5.432 4.550 6.590 2.090 8 6 "[*- *.**+ 1]" 1
204 1 57 GLU HA 1 57 GLU QG 2.800 . 2.800 2.773 2.200 3.432 0.632 8 2 "[ .- + 1]" 1
205 1 57 GLU HA 1 60 CYS H 5.500 . 5.500 3.649 2.571 4.747 . 0 0 "[ . 1]" 1
206 1 58 ILE H 1 58 ILE HB 2.800 . 2.800 3.503 2.812 3.728 0.928 4 8 "[-**+** **]" 1
207 1 58 ILE HB 1 71 LEU H 4.500 . 4.500 4.592 3.343 5.795 1.295 9 2 "[ -. +1]" 1
208 1 58 ILE QG 1 59 SER H 4.500 . 4.500 2.806 2.239 3.852 . 0 0 "[ . 1]" 1
209 1 59 SER H 1 59 SER HA 2.800 . 2.800 2.843 2.756 2.900 0.100 9 0 "[ . 1]" 1
210 1 59 SER H 1 60 CYS H 4.500 . 4.500 2.537 2.295 2.831 . 0 0 "[ . 1]" 1
211 1 59 SER H 1 67 ARG QG 5.500 . 5.500 6.485 4.636 8.279 2.779 6 6 "[** *+*- 1]" 1
212 1 59 SER HA 1 60 CYS H 4.500 . 4.500 3.379 3.162 3.520 . 0 0 "[ . 1]" 1
213 1 60 CYS H 1 60 CYS HB2 3.500 . 3.500 2.603 2.428 2.776 . 0 0 "[ . 1]" 1
214 1 60 CYS H 1 60 CYS HB3 3.500 . 3.500 3.272 2.448 3.673 0.173 9 0 "[ . 1]" 1
215 1 60 CYS H 1 61 ARG H . . 3.500 2.672 2.222 3.381 . 0 0 "[ . 1]" 1
216 1 60 CYS HA 1 61 ARG H 5.500 . 5.500 3.406 3.156 3.606 . 0 0 "[ . 1]" 1
217 1 62 THR HA 1 63 SER H 5.500 . 5.500 2.291 1.975 2.718 . 0 0 "[ . 1]" 1
218 1 65 ARG QB 1 67 ARG H 4.500 . 4.500 4.798 4.079 5.404 0.904 2 3 "[ +* .- 1]" 1
219 1 65 ARG QG 1 66 LYS H 4.500 . 4.500 3.983 2.880 4.856 0.356 2 0 "[ . 1]" 1
220 1 66 LYS H 1 66 LYS QD 3.500 . 3.500 4.167 3.840 4.598 1.098 3 6 "[* + . **-*]" 1
221 1 66 LYS H 1 67 ARG H 3.500 . 3.500 2.557 2.309 2.987 . 0 0 "[ . 1]" 1
222 1 66 LYS H 1 67 ARG QB 3.500 . 3.500 4.665 3.904 5.201 1.701 2 8 "[*+* *** -*]" 1
223 1 66 LYS HA 1 66 LYS QD . . 3.500 2.119 1.786 2.494 . 0 0 "[ . 1]" 1
224 1 66 LYS HA 1 69 GLY H 4.500 . 4.500 3.816 2.761 4.976 0.476 5 0 "[ . 1]" 1
225 1 66 LYS HA 1 70 LYS QB 5.500 . 5.500 3.967 1.972 5.250 . 0 0 "[ . 1]" 1
226 1 66 LYS QD 1 66 LYS HE2 2.800 . 2.800 2.305 2.205 2.459 . 0 0 "[ . 1]" 1
227 1 66 LYS QD 1 66 LYS HE3 2.800 . 2.800 2.275 2.133 2.427 . 0 0 "[ . 1]" 1
228 1 66 LYS QD 1 67 ARG HA 5.500 . 5.500 5.017 4.259 5.339 . 0 0 "[ . 1]" 1
229 1 66 LYS HE3 1 66 LYS HG2 3.500 . 3.500 3.344 2.392 4.245 0.745 1 2 "[+ - . 1]" 1
230 1 67 ARG H 1 68 ALA H 3.500 . 3.500 2.874 2.464 3.341 . 0 0 "[ . 1]" 1
231 1 68 ALA HA 1 72 LEU HG 5.500 . 5.500 5.378 4.312 5.650 0.150 4 0 "[ . 1]" 1
232 1 69 GLY H 1 70 LYS H 3.500 . 3.500 2.595 2.418 2.791 . 0 0 "[ . 1]" 1
233 1 69 GLY H 1 70 LYS QB 4.500 . 4.500 4.382 4.125 4.791 0.291 6 0 "[ . 1]" 1
234 1 69 GLY H 1 71 LEU H 5.500 . 5.500 4.324 3.811 4.777 . 0 0 "[ . 1]" 1
235 1 69 GLY HA2 1 70 LYS H 5.500 . 5.500 3.461 3.402 3.551 . 0 0 "[ . 1]" 1
236 1 69 GLY HA3 1 70 LYS H 3.500 . 3.500 3.025 2.720 3.203 . 0 0 "[ . 1]" 1
237 1 70 LYS H 1 71 LEU H 3.500 . 3.500 2.596 2.365 3.001 . 0 0 "[ . 1]" 1
238 1 70 LYS H 1 71 LEU QB 2.800 . 2.800 4.337 3.984 4.713 1.913 4 10 [***+*****-] 1
239 1 70 LYS HA 1 73 ASP H 4.500 . 4.500 3.324 2.838 3.591 . 0 0 "[ . 1]" 1
240 1 71 LEU H 1 71 LEU QB 2.800 . 2.800 2.206 2.093 2.328 . 0 0 "[ . 1]" 1
241 1 71 LEU H 1 72 LEU H 3.500 . 3.500 2.643 2.490 2.821 . 0 0 "[ . 1]" 1
242 1 71 LEU HA 1 71 LEU HG 3.500 . 3.500 3.121 2.847 3.452 . 0 0 "[ . 1]" 1
243 1 71 LEU HA 1 73 ASP H 3.500 . 3.500 4.003 3.820 4.282 0.782 8 5 "[* * . -+ *]" 1
244 1 72 LEU H 1 72 LEU HB2 2.800 . 2.800 2.909 2.611 3.369 0.569 4 2 "[ +.- 1]" 1
245 1 72 LEU H 1 72 LEU HG 3.500 . 3.500 2.025 1.878 2.161 . 0 0 "[ . 1]" 1
246 1 72 LEU H 1 73 ASP H 3.500 . 3.500 2.404 2.321 2.633 . 0 0 "[ . 1]" 1
247 1 72 LEU HA 1 73 ASP H 5.500 . 5.500 3.364 3.265 3.485 . 0 0 "[ . 1]" 1
248 1 72 LEU HA 1 85 LEU HG 4.500 . 4.500 4.573 4.529 4.634 0.134 7 0 "[ . 1]" 1
249 1 73 ASP H 1 73 ASP HB2 3.500 . 3.500 2.507 2.262 2.798 . 0 0 "[ . 1]" 1
250 1 73 ASP H 1 73 ASP HB3 3.500 . 3.500 2.647 2.193 3.643 0.143 10 0 "[ . 1]" 1
251 1 73 ASP H 1 74 TYR H . . 3.500 2.614 2.415 3.042 . 0 0 "[ . 1]" 1
252 1 73 ASP H 1 74 TYR QB 3.500 . 3.500 5.080 4.754 5.601 2.101 3 10 [**+*-*****] 1
253 1 73 ASP HB3 1 74 TYR H 5.500 . 5.500 2.702 2.255 4.000 . 0 0 "[ . 1]" 1
254 1 74 TYR H 1 74 TYR QB 2.800 . 2.800 2.814 2.586 2.966 0.166 4 0 "[ . 1]" 1
255 1 74 TYR H 1 75 LEU H . . 3.500 2.589 2.367 2.908 . 0 0 "[ . 1]" 1
256 1 74 TYR H 1 76 GLN H 5.500 . 5.500 4.579 3.984 6.276 0.776 10 1 "[ . +]" 1
257 1 74 TYR HA 1 76 GLN H 3.500 . 3.500 4.028 3.476 5.483 1.983 10 3 "[ . -* +]" 1
258 1 74 TYR QB 1 75 LEU H 4.500 . 4.500 3.664 2.794 3.901 . 0 0 "[ . 1]" 1
259 1 75 LEU H 1 75 LEU HB2 2.800 . 2.800 2.688 2.261 3.562 0.762 9 2 "[ . - +1]" 1
260 1 75 LEU H 1 75 LEU HG 4.500 . 4.500 2.534 1.694 4.201 0.106 7 0 "[ . 1]" 1
261 1 75 LEU H 1 76 GLN H 3.500 . 3.500 2.721 2.355 3.731 0.231 8 0 "[ . 1]" 1
262 1 75 LEU H 1 81 GLY H 5.500 . 5.500 6.617 4.207 8.028 2.528 6 8 "[****-+* *1]" 1
263 1 75 LEU HA 1 75 LEU HG 4.500 . 4.500 3.189 2.331 3.674 . 0 0 "[ . 1]" 1
264 1 75 LEU HA 1 77 GLU H 5.500 . 5.500 4.618 3.370 6.298 0.798 8 1 "[ . + 1]" 1
265 1 75 LEU HB2 1 76 GLN H 4.500 . 4.500 3.213 1.940 4.017 . 0 0 "[ . 1]" 1
266 1 76 GLN H 1 76 GLN QB 2.800 . 2.800 2.346 2.061 3.068 0.268 8 0 "[ . 1]" 1
267 1 76 GLN H 1 76 GLN QE 5.500 . 5.500 5.237 4.024 5.864 0.364 9 0 "[ . 1]" 1
268 1 76 GLN H 1 76 GLN QG 2.800 . 2.800 3.564 2.002 4.127 1.327 7 8 "[***-**+ *1]" 1
269 1 76 GLN H 1 77 GLU H . . 3.500 2.801 2.291 3.478 . 0 0 "[ . 1]" 1
270 1 76 GLN HA 1 76 GLN QG 3.500 . 3.500 2.753 2.229 3.342 . 0 0 "[ . 1]" 1
271 1 76 GLN QB 1 77 GLU H 2.800 . 2.800 2.840 2.155 3.445 0.645 5 1 "[ + 1]" 1
272 1 76 GLN QE 1 76 GLN QG 2.800 . 2.800 1.840 1.725 2.001 . 0 0 "[ . 1]" 1
273 1 76 GLN QG 1 77 GLU H 3.500 . 3.500 3.806 1.755 4.904 1.404 5 7 "[**-*+** 1]" 1
274 1 77 GLU H 1 77 GLU QG . . 2.800 3.258 1.672 4.358 1.558 8 5 "[*- . *+ *]" 1
275 1 77 GLU H 1 78 ASN H 3.500 . 3.500 2.437 1.443 3.081 0.357 8 0 "[ . 1]" 1
276 1 77 GLU HA 1 78 ASN H 5.500 . 5.500 3.300 2.832 3.699 . 0 0 "[ . 1]" 1
277 1 77 GLU HB3 1 77 GLU QG 2.800 . 2.800 2.356 2.177 2.465 . 0 0 "[ . 1]" 1
278 1 77 GLU HB3 1 78 ASN H 5.500 . 5.500 3.446 2.297 4.630 . 0 0 "[ . 1]" 1
279 1 78 ASN H 1 78 ASN QB . . 3.500 2.627 2.310 3.094 . 0 0 "[ . 1]" 1
280 1 78 ASN HA 1 79 PRO HD2 3.500 . 3.500 2.195 1.979 2.944 . 0 0 "[ . 1]" 1
281 1 78 ASN HA 1 79 PRO HD3 3.500 . 3.500 2.648 2.284 3.704 0.204 9 0 "[ . 1]" 1
282 1 78 ASN HA 1 79 PRO HG2 4.500 . 4.500 4.341 3.966 4.621 0.121 9 0 "[ . 1]" 1
283 1 78 ASN QB 1 81 GLY H 4.500 . 4.500 4.076 3.112 5.272 0.772 9 3 "[ - +*]" 1
284 1 79 PRO HA 1 80 LYS H 4.500 . 4.500 3.507 3.357 3.646 . 0 0 "[ . 1]" 1
285 1 80 LYS H 1 80 LYS QB . . 3.500 2.550 2.177 2.787 . 0 0 "[ . 1]" 1
286 1 80 LYS H 1 81 GLY H 3.500 . 3.500 2.584 2.242 2.956 . 0 0 "[ . 1]" 1
287 1 80 LYS QB 1 80 LYS QE 3.500 . 3.500 2.917 1.869 3.877 0.377 6 0 "[ . 1]" 1
288 1 81 GLY H 1 81 GLY HA2 2.800 . 2.800 2.804 2.692 2.924 0.124 6 0 "[ . 1]" 1
289 1 81 GLY H 1 82 LEU H 5.500 . 5.500 2.876 2.293 3.586 . 0 0 "[ . 1]" 1
290 1 81 GLY HA2 1 82 LEU H 4.500 . 4.500 3.467 3.177 3.579 . 0 0 "[ . 1]" 1
291 1 82 LEU H 1 82 LEU HB3 3.500 . 3.500 3.356 2.448 3.780 0.280 9 0 "[ . 1]" 1
292 1 82 LEU H 1 82 LEU HG 4.500 . 4.500 3.791 2.660 4.538 0.038 6 0 "[ . 1]" 1
293 1 82 LEU H 1 83 ASP H 4.500 . 4.500 2.533 2.127 2.881 . 0 0 "[ . 1]" 1
294 1 82 LEU HA 1 85 LEU H 4.500 . 4.500 3.227 2.570 4.022 . 0 0 "[ . 1]" 1
295 1 82 LEU HB2 1 83 ASP H 3.500 . 3.500 3.350 2.869 4.109 0.609 6 2 "[ - .+ 1]" 1
296 1 82 LEU HB3 1 83 ASP H 4.500 . 4.500 3.572 2.849 4.052 . 0 0 "[ . 1]" 1
297 1 82 LEU HB3 1 83 ASP HA 5.500 . 5.500 4.440 4.058 4.730 . 0 0 "[ . 1]" 1
298 1 83 ASP H 1 84 THR H 3.500 . 3.500 2.657 2.367 3.285 . 0 0 "[ . 1]" 1
299 1 83 ASP HA 1 84 THR H 4.500 . 4.500 3.461 3.371 3.547 . 0 0 "[ . 1]" 1
300 1 83 ASP HA 1 85 LEU H 5.500 . 5.500 4.086 3.631 4.526 . 0 0 "[ . 1]" 1
301 1 83 ASP HA 1 86 VAL HB 5.500 . 5.500 4.275 3.284 5.558 0.058 10 0 "[ . 1]" 1
302 1 84 THR H 1 85 LEU H 4.500 . 4.500 2.621 2.327 2.882 . 0 0 "[ . 1]" 1
303 1 84 THR HA 1 87 GLU H 5.500 . 5.500 4.327 3.497 5.848 0.348 8 0 "[ . 1]" 1
304 1 85 LEU H 1 87 GLU QB 4.500 . 4.500 5.113 4.392 7.062 2.562 8 5 "[ * - *+ *]" 1
305 1 85 LEU HB2 1 86 VAL HB 4.500 . 4.500 4.468 4.195 4.782 0.282 10 0 "[ . 1]" 1
306 1 86 VAL H 1 86 VAL HB 2.800 . 2.800 2.742 2.399 3.491 0.691 10 1 "[ . +]" 1
307 1 86 VAL H 1 87 GLU H 4.500 . 4.500 2.746 2.599 3.168 . 0 0 "[ . 1]" 1
308 1 86 VAL HA 1 89 ILE HB 5.500 . 5.500 3.166 2.503 4.398 . 0 0 "[ . 1]" 1
309 1 86 VAL HB 1 87 GLU H 3.500 . 3.500 4.156 4.003 4.228 0.728 10 10 [******-**+] 1
310 1 87 GLU H 1 87 GLU QB 2.800 . 2.800 2.255 2.082 2.529 . 0 0 "[ . 1]" 1
311 1 87 GLU H 1 87 GLU HG2 4.500 . 4.500 4.024 2.226 4.567 0.067 5 0 "[ . 1]" 1
312 1 87 GLU H 1 88 SER H 3.500 . 3.500 2.680 2.470 2.977 . 0 0 "[ . 1]" 1
313 1 87 GLU HA 1 90 ARG H 4.500 . 4.500 3.674 3.154 4.080 . 0 0 "[ . 1]" 1
314 1 87 GLU HA 1 90 ARG QB 3.500 . 3.500 3.088 2.014 3.542 0.042 5 0 "[ . 1]" 1
315 1 87 GLU QB 1 87 GLU HG3 2.800 . 2.800 2.185 2.145 2.242 . 0 0 "[ . 1]" 1
316 1 88 SER H 1 88 SER HB2 2.800 . 2.800 2.644 2.443 3.642 0.842 2 1 "[ + . 1]" 1
317 1 88 SER H 1 89 ILE H 4.500 . 4.500 2.391 2.186 2.637 . 0 0 "[ . 1]" 1
318 1 89 ILE H 1 89 ILE HB 3.500 . 3.500 2.673 2.474 3.101 . 0 0 "[ . 1]" 1
319 1 89 ILE H 1 89 ILE QG 3.500 . 3.500 2.316 1.749 4.160 0.660 5 1 "[ + 1]" 1
320 1 89 ILE H 1 90 ARG H 4.500 . 4.500 2.422 2.226 2.613 . 0 0 "[ . 1]" 1
321 1 89 ILE HB 1 90 ARG H 3.500 . 3.500 3.213 2.729 4.617 1.117 5 1 "[ + 1]" 1
322 1 90 ARG H 1 90 ARG QB 2.800 . 2.800 2.219 2.146 2.352 . 0 0 "[ . 1]" 1
323 1 90 ARG H 1 90 ARG HG2 5.500 . 5.500 4.327 3.471 4.588 . 0 0 "[ . 1]" 1
324 1 90 ARG H 1 91 ARG H 4.500 . 4.500 2.908 2.610 3.837 . 0 0 "[ . 1]" 1
325 1 90 ARG H 1 92 GLU H 5.500 . 5.500 4.451 3.796 5.896 0.396 5 0 "[ . 1]" 1
326 1 90 ARG HA 1 91 ARG H 5.500 . 5.500 3.413 3.146 3.676 . 0 0 "[ . 1]" 1
327 1 90 ARG HA 1 92 GLU H 5.500 . 5.500 3.931 3.100 6.198 0.698 5 1 "[ + 1]" 1
328 1 90 ARG QB 1 90 ARG HD2 3.500 . 3.500 2.722 2.261 3.368 . 0 0 "[ . 1]" 1
329 1 90 ARG QB 1 91 ARG H 2.800 . 2.800 2.876 1.943 3.380 0.580 4 2 "[ +. -1]" 1
330 1 91 ARG H 1 91 ARG QG 3.500 . 3.500 3.847 2.656 4.186 0.686 1 5 "[+ - * ** 1]" 1
331 1 91 ARG H 1 92 GLU H 2.800 . 2.800 2.566 2.241 3.043 0.243 9 0 "[ . 1]" 1
332 1 91 ARG HA 1 91 ARG QG . . 3.500 2.738 2.101 3.399 . 0 0 "[ . 1]" 1
333 1 91 ARG HA 1 92 GLU H 4.500 . 4.500 3.312 2.914 3.479 . 0 0 "[ . 1]" 1
334 1 91 ARG QB 1 92 GLU H 3.500 . 3.500 3.206 1.921 3.606 0.106 1 0 "[ . 1]" 1
335 1 92 GLU H 1 92 GLU QB 3.500 . 3.500 2.340 2.043 2.930 . 0 0 "[ . 1]" 1
336 1 92 GLU H 1 92 GLU QG . . 3.500 3.117 2.201 4.024 0.524 8 2 "[ . +-1]" 1
337 1 92 GLU H 1 93 LYS H 4.500 . 4.500 3.074 2.540 3.844 . 0 0 "[ . 1]" 1
338 1 92 GLU QB 1 94 THR H 5.500 . 5.500 4.343 3.722 4.714 . 0 0 "[ . 1]" 1
339 1 92 GLU QB 1 95 GLN QB 5.500 . 5.500 4.533 2.614 7.058 1.558 1 3 "[+ * -1]" 1
340 1 93 LYS HB2 1 94 THR H 4.500 . 4.500 3.400 1.809 4.428 . 0 0 "[ . 1]" 1
341 1 93 LYS HB3 1 94 THR H 5.500 . 5.500 3.517 2.845 4.346 . 0 0 "[ . 1]" 1
342 1 94 THR H 1 95 GLN H 4.500 . 4.500 2.243 1.708 2.583 0.092 7 0 "[ . 1]" 1
343 1 94 THR HB 1 95 GLN QE 4.500 . 4.500 3.794 2.228 4.561 0.061 9 0 "[ . 1]" 1
344 1 95 GLN H 1 96 ASN H 5.500 . 5.500 3.600 2.166 4.580 . 0 0 "[ . 1]" 1
345 1 95 GLN QE 1 95 GLN HG3 . . 2.800 2.901 2.165 3.309 0.509 10 2 "[ . - +]" 1
346 1 96 ASN H 1 96 ASN HB3 3.500 . 3.500 2.744 2.396 3.689 0.189 8 0 "[ . 1]" 1
347 1 96 ASN H 1 97 PHE QB 4.500 . 4.500 4.527 4.089 5.177 0.677 2 1 "[ + . 1]" 1
348 1 96 ASN HA 1 99 ILE HG13 . . 3.500 2.450 2.168 2.762 . 0 0 "[ . 1]" 1
349 1 96 ASN HB2 1 96 ASN HD21 3.500 . 3.500 2.318 2.227 2.771 . 0 0 "[ . 1]" 1
350 1 96 ASN HB2 1 96 ASN HD22 3.500 . 3.500 3.501 3.472 3.601 0.101 3 0 "[ . 1]" 1
351 1 96 ASN HB2 1 97 PHE HA 5.500 . 5.500 5.073 4.559 5.551 0.051 7 0 "[ . 1]" 1
352 1 96 ASN HB3 1 96 ASN HD21 3.500 . 3.500 3.214 2.910 3.581 0.081 3 0 "[ . 1]" 1
353 1 97 PHE H 1 99 ILE H 5.500 . 5.500 4.206 3.939 4.765 . 0 0 "[ . 1]" 1
354 1 97 PHE HA 1 98 LEU H 5.500 . 5.500 3.568 3.434 3.657 . 0 0 "[ . 1]" 1
355 1 98 LEU H 1 98 LEU HG 3.500 . 3.500 3.416 2.363 4.408 0.908 6 4 "[ * .+- *1]" 1
356 1 98 LEU H 1 99 ILE H 3.500 . 3.500 2.426 2.153 2.646 . 0 0 "[ . 1]" 1
357 1 98 LEU H 1 100 GLN H 5.500 . 5.500 4.217 3.938 5.007 . 0 0 "[ . 1]" 1
358 1 98 LEU HA 1 101 LYS H 4.500 . 4.500 3.616 3.161 4.714 0.214 9 0 "[ . 1]" 1
359 1 98 LEU HA 1 102 ILE QG 5.500 . 5.500 4.553 3.122 7.411 1.911 4 1 "[ +. 1]" 1
360 1 98 LEU HB2 1 99 ILE HG12 3.500 . 3.500 3.545 3.498 3.615 0.115 9 0 "[ . 1]" 1
361 1 98 LEU HG 1 99 ILE H 4.500 . 4.500 4.772 4.236 5.336 0.836 2 3 "[ + .-* 1]" 1
362 1 99 ILE H 1 99 ILE HB 3.500 . 3.500 2.891 2.740 3.390 . 0 0 "[ . 1]" 1
363 1 99 ILE H 1 99 ILE HG12 4.500 . 4.500 1.750 1.625 1.852 0.175 5 0 "[ . 1]" 1
364 1 99 ILE H 1 99 ILE HG13 4.500 . 4.500 3.347 3.208 3.431 . 0 0 "[ . 1]" 1
365 1 99 ILE H 1 100 GLN H 3.500 . 3.500 2.540 2.349 3.124 . 0 0 "[ . 1]" 1
366 1 99 ILE HA 1 100 GLN H 5.500 . 5.500 3.491 3.444 3.577 . 0 0 "[ . 1]" 1
367 1 99 ILE HB 1 100 GLN H 3.500 . 3.500 2.754 2.215 3.095 . 0 0 "[ . 1]" 1
368 1 99 ILE HB 1 101 LYS H 3.500 . 3.500 4.929 4.408 5.133 1.633 6 10 [*****+*-**] 1
369 1 99 ILE HG13 1 100 GLN H 4.500 . 4.500 4.588 3.694 4.849 0.349 6 0 "[ . 1]" 1
370 1 100 GLN H 1 100 GLN QB 2.800 . 2.800 2.330 2.091 2.776 . 0 0 "[ . 1]" 1
371 1 100 GLN H 1 101 LYS H 4.500 . 4.500 2.491 2.112 2.701 . 0 0 "[ . 1]" 1
372 1 100 GLN H 1 101 LYS QB 3.500 . 3.500 4.259 3.671 4.637 1.137 9 9 [***-****+1] 1
373 1 100 GLN H 1 102 ILE HB 4.500 . 4.500 5.494 5.025 6.734 2.234 4 10 [-**+******] 1
374 1 100 GLN HA 1 100 GLN HG3 3.500 . 3.500 3.188 2.604 4.283 0.783 8 1 "[ . + 1]" 1
375 1 100 GLN HA 1 104 ASP H 4.500 . 4.500 4.219 3.747 5.816 1.316 10 1 "[ . +]" 1
376 1 100 GLN QB 1 100 GLN QE 2.800 . 2.800 3.096 1.866 3.684 0.884 8 6 "[ * *-* + *]" 1
377 1 100 GLN QB 1 100 GLN HG3 . . 2.800 2.295 2.156 2.365 . 0 0 "[ . 1]" 1
378 1 100 GLN QB 1 101 LYS H 3.500 . 3.500 2.813 2.441 3.783 0.283 8 0 "[ . 1]" 1
379 1 101 LYS H 1 101 LYS QB 3.500 . 3.500 2.265 2.090 2.407 . 0 0 "[ . 1]" 1
380 1 101 LYS H 1 101 LYS HG2 5.500 . 5.500 4.635 4.476 4.805 . 0 0 "[ . 1]" 1
381 1 101 LYS H 1 101 LYS HG3 5.500 . 5.500 4.447 4.248 4.568 . 0 0 "[ . 1]" 1
382 1 101 LYS H 1 102 ILE H 3.500 . 3.500 2.613 2.263 2.897 . 0 0 "[ . 1]" 1
383 1 101 LYS H 1 102 ILE QG 5.500 . 5.500 4.203 3.524 6.540 1.040 4 1 "[ +. 1]" 1
384 1 101 LYS HA 1 104 ASP H 5.500 . 5.500 3.372 3.129 3.621 . 0 0 "[ . 1]" 1
385 1 101 LYS HA 1 104 ASP HB2 5.500 . 5.500 3.423 3.145 3.767 . 0 0 "[ . 1]" 1
386 1 101 LYS QB 1 102 ILE H . . 2.800 2.711 2.434 3.259 0.459 10 0 "[ . 1]" 1
387 1 101 LYS HG3 1 105 GLU HG2 5.500 . 5.500 3.365 2.614 5.422 . 0 0 "[ . 1]" 1
388 1 102 ILE H 1 102 ILE HB 2.800 . 2.800 2.559 2.490 2.656 . 0 0 "[ . 1]" 1
389 1 102 ILE H 1 102 ILE QG 3.500 . 3.500 2.234 1.957 4.018 0.518 4 1 "[ +. 1]" 1
390 1 102 ILE H 1 103 THR H 4.500 . 4.500 2.627 2.453 2.776 . 0 0 "[ . 1]" 1
391 1 102 ILE HA 1 106 VAL H 5.500 . 5.500 4.288 3.851 4.612 . 0 0 "[ . 1]" 1
392 1 102 ILE HB 1 103 THR H 4.500 . 4.500 2.709 2.382 4.098 . 0 0 "[ . 1]" 1
393 1 102 ILE HB 1 104 ASP H 4.500 . 4.500 5.140 4.883 5.930 1.430 4 7 "[* -+. ****]" 1
394 1 103 THR HA 1 106 VAL HB 5.500 . 5.500 3.171 2.760 4.055 . 0 0 "[ . 1]" 1
395 1 103 THR HA 1 107 LEU H 5.500 . 5.500 4.234 3.924 4.791 . 0 0 "[ . 1]" 1
396 1 103 THR HB 1 104 ASP H 4.500 . 4.500 2.513 2.220 3.547 . 0 0 "[ . 1]" 1
397 1 104 ASP H 1 104 ASP HB2 3.500 . 3.500 2.723 2.576 2.909 . 0 0 "[ . 1]" 1
398 1 104 ASP H 1 104 ASP HB3 3.500 . 3.500 2.440 2.174 3.528 0.028 10 0 "[ . 1]" 1
399 1 104 ASP H 1 105 GLU H 3.500 . 3.500 2.846 2.724 2.949 . 0 0 "[ . 1]" 1
400 1 104 ASP H 1 106 VAL H 5.500 . 5.500 4.483 4.333 4.637 . 0 0 "[ . 1]" 1
401 1 104 ASP HA 1 107 LEU QB 5.500 . 5.500 3.395 2.235 4.593 . 0 0 "[ . 1]" 1
402 1 105 GLU H 1 105 GLU QB 3.500 . 3.500 2.476 2.150 2.617 . 0 0 "[ . 1]" 1
403 1 105 GLU H 1 105 GLU HG3 5.500 . 5.500 3.831 3.643 4.503 . 0 0 "[ . 1]" 1
404 1 105 GLU H 1 106 VAL H 3.500 . 3.500 2.800 2.625 3.007 . 0 0 "[ . 1]" 1
405 1 105 GLU HA 1 105 GLU HG2 3.500 . 3.500 3.171 2.986 3.549 0.049 8 0 "[ . 1]" 1
406 1 105 GLU HA 1 105 GLU HG3 3.500 . 3.500 3.620 2.556 3.808 0.308 9 0 "[ . 1]" 1
407 1 105 GLU QB 1 105 GLU HG2 2.800 . 2.800 2.313 2.156 2.360 . 0 0 "[ . 1]" 1
408 1 106 VAL H 1 106 VAL HB 2.800 . 2.800 2.570 2.413 2.717 . 0 0 "[ . 1]" 1
409 1 107 LEU HA 1 109 LEU QB 5.500 . 5.500 4.942 4.697 5.210 . 0 0 "[ . 1]" 1
410 1 107 LEU HA 1 110 ARG H 5.500 . 5.500 3.900 3.541 4.195 . 0 0 "[ . 1]" 1
411 1 107 LEU QB 1 108 LYS H 3.500 . 3.500 2.873 2.540 3.245 . 0 0 "[ . 1]" 1
412 1 107 LEU QB 1 109 LEU H 2.800 . 2.800 4.732 4.464 5.071 2.271 6 10 [*****+*-**] 1
413 1 108 LYS H 1 108 LYS HB2 2.800 . 2.800 2.511 2.208 2.716 . 0 0 "[ . 1]" 1
414 1 108 LYS H 1 108 LYS QD 4.500 . 4.500 4.366 2.050 4.842 0.342 10 0 "[ . 1]" 1
415 1 108 LYS H 1 108 LYS HG2 5.500 . 5.500 4.157 3.448 4.442 . 0 0 "[ . 1]" 1
416 1 108 LYS H 1 109 LEU H 2.800 . 2.800 2.442 2.259 2.570 . 0 0 "[ . 1]" 1
417 1 108 LYS HA 1 108 LYS HB2 2.800 . 2.800 2.625 2.388 2.957 0.157 8 0 "[ . 1]" 1
418 1 108 LYS HA 1 109 LEU H 3.500 . 3.500 3.464 3.395 3.519 0.019 3 0 "[ . 1]" 1
419 1 108 LYS HA 1 111 ASN H 5.500 . 5.500 4.753 4.159 5.538 0.038 10 0 "[ . 1]" 1
420 1 108 LYS QD 1 108 LYS HG2 2.800 . 2.800 2.288 2.177 2.383 . 0 0 "[ . 1]" 1
421 1 109 LEU H 1 109 LEU HG 2.800 . 2.800 4.176 4.023 4.544 1.744 4 10 [***+-*****] 1
422 1 109 LEU H 1 110 ARG H . . 2.800 2.740 2.618 2.910 0.110 5 0 "[ . 1]" 1
423 1 109 LEU HA 1 112 ILE HB 4.500 . 4.500 3.583 3.012 4.515 0.015 7 0 "[ . 1]" 1
424 1 109 LEU QB 1 110 ARG H . . 2.800 3.280 3.154 3.384 0.584 5 6 "[ * +*- **]" 1
425 1 110 ARG H 1 113 LYS QB 3.500 . 3.500 5.404 5.047 5.952 2.452 5 10 [****+**-**] 1
426 1 110 ARG HA 1 111 ASN H 5.500 . 5.500 3.484 3.353 3.552 . 0 0 "[ . 1]" 1
427 1 110 ARG HA 1 113 LYS QB 3.500 . 3.500 3.085 2.674 3.549 0.049 2 0 "[ . 1]" 1
428 1 110 ARG HB2 1 110 ARG HG3 2.800 . 2.800 2.494 2.296 3.022 0.222 9 0 "[ . 1]" 1
429 1 110 ARG HB3 1 111 ASN H 3.500 . 3.500 3.498 2.649 4.314 0.814 2 4 "[ +- .* *]" 1
430 1 111 ASN H 1 111 ASN HB2 2.800 . 2.800 2.702 2.489 2.985 0.185 6 0 "[ . 1]" 1
431 1 111 ASN H 1 111 ASN HB3 2.800 . 2.800 2.464 2.289 2.566 . 0 0 "[ . 1]" 1
432 1 111 ASN H 1 112 ILE H 3.500 . 3.500 2.570 2.350 2.828 . 0 0 "[ . 1]" 1
433 1 111 ASN HB2 1 111 ASN HD21 2.800 . 2.800 2.570 2.268 3.459 0.659 9 1 "[ . +1]" 1
434 1 111 ASN HB2 1 111 ASN HD22 3.500 . 3.500 3.564 3.487 3.758 0.258 9 0 "[ . 1]" 1
435 1 111 ASN HB2 1 112 ILE H 5.500 . 5.500 3.997 3.761 4.107 . 0 0 "[ . 1]" 1
436 1 111 ASN HB3 1 111 ASN HD21 3.500 . 3.500 3.495 3.177 3.601 0.101 6 0 "[ . 1]" 1
437 1 112 ILE H 1 112 ILE HB 2.800 . 2.800 2.364 2.193 2.592 . 0 0 "[ . 1]" 1
438 1 112 ILE H 1 114 LEU H 4.500 . 4.500 4.198 3.816 4.481 . 0 0 "[ . 1]" 1
439 1 113 LYS H 1 113 LYS QB 2.800 . 2.800 2.302 2.180 2.481 . 0 0 "[ . 1]" 1
440 1 113 LYS H 1 114 LEU H 3.500 . 3.500 2.645 2.412 2.969 . 0 0 "[ . 1]" 1
441 1 113 LYS HA 1 113 LYS HG3 4.500 . 4.500 3.080 2.511 3.659 . 0 0 "[ . 1]" 1
442 1 113 LYS HA 1 116 HIS H 5.500 . 5.500 3.479 3.033 3.735 . 0 0 "[ . 1]" 1
443 1 113 LYS HG3 1 114 LEU H 5.500 . 5.500 4.728 3.268 5.756 0.256 5 0 "[ . 1]" 1
444 1 114 LEU H 1 114 LEU HA 2.800 . 2.800 2.851 2.791 2.907 0.107 6 0 "[ . 1]" 1
445 1 114 LEU H 1 114 LEU HB2 2.800 . 2.800 2.642 2.478 3.625 0.825 7 1 "[ . + 1]" 1
446 1 114 LEU H 1 114 LEU HB3 3.500 . 3.500 3.520 2.799 3.627 0.127 5 0 "[ . 1]" 1
447 1 114 LEU H 1 114 LEU HG 2.800 . 2.800 2.227 1.896 2.494 . 0 0 "[ . 1]" 1
448 1 114 LEU H 1 115 GLU H 2.800 . 2.800 2.590 2.413 2.862 0.062 4 0 "[ . 1]" 1
449 1 114 LEU HA 1 114 LEU HG 3.500 . 3.500 3.252 3.160 3.610 0.110 7 0 "[ . 1]" 1
450 1 114 LEU HG 1 115 GLU H 4.500 . 4.500 4.138 2.981 4.508 0.008 2 0 "[ . 1]" 1
451 1 115 GLU H 1 115 GLU HA 2.800 . 2.800 2.857 2.799 2.912 0.112 2 0 "[ . 1]" 1
452 1 115 GLU H 1 115 GLU QB 2.800 . 2.800 2.339 2.168 2.855 0.055 6 0 "[ . 1]" 1
453 1 115 GLU H 1 117 LEU H 3.500 . 3.500 4.023 3.600 4.245 0.745 8 6 "[ * ** +-*]" 1
454 1 117 LEU H 1 117 LEU QB 2.800 . 2.800 2.800 2.084 3.200 0.400 3 0 "[ . 1]" 1
455 1 117 LEU H 1 118 LYS H 2.800 . 2.800 3.556 2.314 4.454 1.654 7 6 "[ ** **+ -1]" 1
456 1 117 LEU HA 1 118 LYS H 4.500 . 4.500 2.856 2.257 3.547 . 0 0 "[ . 1]" 1
457 1 117 LEU QB 1 118 LYS H 3.500 . 3.500 2.917 1.756 4.007 0.507 10 1 "[ . +]" 1
458 1 118 LYS HD3 1 118 LYS HE3 2.800 . 2.800 2.555 2.420 3.005 0.205 10 0 "[ . 1]" 1
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