NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482639 |
1rfl   |
5861 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rfl
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 294
_Distance_constraint_stats_list.Viol_count 298
_Distance_constraint_stats_list.Viol_total 4547.796
_Distance_constraint_stats_list.Viol_max 3.530
_Distance_constraint_stats_list.Viol_rms 0.2379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0387
_Distance_constraint_stats_list.Viol_average_violations_only 0.7631
_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 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.609 0.544 16 1 "[ . 1 .+ 2]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.379 0.150 16 0 "[ . 1 . 2]"
1 12 ILE 0.693 0.570 15 1 "[ . 1 + 2]"
1 13 ALA 0.693 0.570 15 1 "[ . 1 + 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 1.646 0.987 14 2 "[ . - 1 +. 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 1.646 0.987 14 2 "[ . - 1 +. 2]"
1 20 LYS 4.913 1.173 17 5 "[ .*- 1 * * + 2]"
1 21 SER 4.733 1.173 17 5 "[ .*- 1 * * + 2]"
1 22 SER 6.550 1.914 11 3 "[ - 1+ . * 2]"
1 23 LEU 1.514 0.858 18 2 "[ - 1 . + 2]"
1 24 LEU 0.965 0.173 15 0 "[ . 1 . 2]"
1 25 ASN 8.211 2.315 1 4 "[+ . 1 *-. * 2]"
1 26 ALA 20.675 3.530 14 10 "[* **- 1* *+. ***2]"
1 27 LEU 3.781 1.376 17 4 "[- . 1 **. + 2]"
1 28 ALA 8.717 1.914 15 8 "[ * . **-1 +*** 2]"
1 29 GLY 24.499 3.530 14 7 "[- *.* 1 *+. * *2]"
1 30 ARG 13.490 1.914 15 10 "[ ** . ***1 - +*** 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 5.494 1.744 2 5 "[ +* . *1 - .* 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.514 0.514 10 1 "[ . + . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.514 0.514 10 1 "[ . + . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 2.408 1.180 4 3 "[ +. - 1 * . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 3.181 1.180 4 3 "[ +. - 1 * . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.773 0.594 12 1 "[ . 1 + . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 2.577 1.194 19 2 "[ . 1 . +-]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 HIS 2.577 1.194 19 2 "[ . 1 . +-]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 4.911 1.112 18 6 "[-* . * * . + *]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 4.911 1.112 18 6 "[-* . * * . + *]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 1.734 1.671 12 1 "[ . 1 + . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 1.752 0.886 5 1 "[ + 1 . 2]"
1 68 ALA 1.734 1.671 12 1 "[ . 1 + . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 8.128 1.540 1 7 "[+ *-* ** . *]"
1 71 GLU 10.496 2.422 20 7 "[* *** -* . +]"
1 72 VAL 0.742 0.639 20 1 "[ . 1 . +]"
1 73 GLU 2.068 1.906 18 1 "[ . 1 . + 2]"
1 74 ARG 18.670 2.422 20 7 "[* *.* ** . * +]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 3.122 1.906 18 1 "[ . 1 . + 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 7.539 1.997 6 6 "[** .+-* 1* . 2]"
1 81 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 7.539 1.997 6 6 "[** .+-* 1* . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 1.731 1.511 1 1 "[+ . 1 . 2]"
1 91 LEU 0.606 0.150 16 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 9.544 2.161 19 6 "[ - * 1** . *+2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 THR 9.544 2.161 19 6 "[ - * 1** . *+2]"
1 99 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASP 9.933 1.971 14 3 "[ * . 1 +. - 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 10.006 1.971 14 3 "[ * . 1 +. - 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.008 0.008 4 0 "[ . 1 . 2]"
1 105 ALA 0.108 0.073 9 0 "[ . 1 . 2]"
1 106 GLU 0.091 0.083 4 0 "[ . 1 . 2]"
1 107 ILE 1.832 1.633 9 1 "[ . +1 . 2]"
1 108 TRP 2.773 2.009 9 1 "[ . +1 . 2]"
1 109 PRO 0.213 0.184 3 0 "[ . 1 . 2]"
1 110 GLU 3.806 2.009 9 1 "[ . +1 . 2]"
1 111 PHE 0.865 0.681 9 1 "[ . +1 . 2]"
1 112 ILE 0.029 0.029 2 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 1.999 1.010 11 2 "[ .- 1+ . 2]"
1 118 LYS 7.994 2.732 11 5 "[* .* -1+ . * 2]"
1 119 LEU 3.114 1.549 13 2 "[ *. 1 + . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.882 0.191 4 0 "[ . 1 . 2]"
1 122 THR 0.674 0.590 10 1 "[ . + . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 0.674 0.590 10 1 "[ . + . 2]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 6.224 1.815 11 4 "[ . * 1+ . *-2]"
1 128 ALA 11.146 2.366 7 7 "[ -*. + ** . **2]"
1 129 ASP 15.171 2.054 14 8 "[ -*. * ** +. **2]"
1 130 ILE 7.425 1.815 11 5 "[ . * 1+ *. *-2]"
1 131 THR 16.611 2.366 7 8 "[ **. + ** -. **2]"
1 132 GLY 12.814 2.054 14 8 "[ **. * ** +. **2]"
1 133 GLU 22.223 3.519 13 6 "[** . -1 +** 2]"
1 134 THR 5.169 1.323 2 6 "[-+**. 1 **. 2]"
1 135 LEU 2.004 0.596 3 3 "[ + . 1 *-. 2]"
1 136 GLY 25.286 3.519 13 7 "[-** . *1 +** 2]"
1 137 MET 6.221 1.274 5 6 "[ **+ 1 - * * 2]"
1 139 GLU 4.020 1.274 5 4 "[ + 1 * - * 2]"
1 142 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 HIS 8.474 2.732 11 4 "[ .* -1+ . * 2]"
1 144 ALA 1.565 0.881 4 2 "[ +. 1 - . 2]"
1 145 LEU 1.549 1.549 13 1 "[ . 1 + . 2]"
1 146 ILE 0.521 0.189 6 0 "[ . 1 . 2]"
1 147 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 LEU 6.202 1.547 10 6 "[ - . + ** * *]"
1 149 SER 0.008 0.008 3 0 "[ . 1 . 2]"
1 150 ALA 0.008 0.008 3 0 "[ . 1 . 2]"
1 151 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 GLU 9.372 1.547 10 6 "[ - . + ** * *]"
1 155 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 VAL 3.615 1.474 20 3 "[ * . 1 . - +]"
1 157 ASP 0.173 0.150 13 0 "[ . 1 . 2]"
1 158 VAL 1.283 0.651 8 1 "[ . + 1 . 2]"
1 159 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 ASN 1.373 0.651 8 1 "[ . + 1 . 2]"
1 162 HIS 0.917 0.835 13 1 "[ . 1 + . 2]"
1 163 LEU 0.587 0.587 13 1 "[ . 1 + . 2]"
1 164 LYS 0.438 0.124 18 0 "[ . 1 . 2]"
1 165 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 SER 1.655 0.835 13 1 "[ . 1 + . 2]"
1 167 MET 0.124 0.124 18 0 "[ . 1 . 2]"
1 168 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 170 HIS 10.844 1.625 12 9 "[ ** . *1 + *-** *]"
1 171 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 172 ASP 10.234 1.625 12 8 "[ ** . *1 + * *- *]"
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 3 LEU H 1 4 LEU H . . 5.000 3.106 1.932 4.607 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 5 ARG H . . 5.000 4.002 2.142 4.652 . 0 0 "[ . 1 . 2]" 1
3 1 5 ARG H 1 6 GLU H . . 5.000 3.997 1.895 4.535 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU HA 1 170 HIS H . . 5.000 3.105 1.990 5.544 0.544 16 1 "[ . 1 .+ 2]" 1
5 1 8 MET H 1 9 LYS HA . . 5.000 4.518 3.753 4.955 . 0 0 "[ . 1 . 2]" 1
6 1 9 LYS H 1 10 VAL H . . 5.000 4.334 3.494 4.569 . 0 0 "[ . 1 . 2]" 1
7 1 10 VAL H 1 11 VAL H . . 5.000 4.288 3.622 4.604 . 0 0 "[ . 1 . 2]" 1
8 1 10 VAL HA 1 11 VAL H . . 5.000 2.332 2.183 2.831 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL HA 1 88 ASP H . . 5.000 3.693 3.238 4.126 . 0 0 "[ . 1 . 2]" 1
10 1 10 VAL HA 1 89 ARG H . . 5.000 3.545 2.741 4.483 . 0 0 "[ . 1 . 2]" 1
11 1 11 VAL H 1 89 ARG H . . 5.000 4.361 3.611 4.985 . 0 0 "[ . 1 . 2]" 1
12 1 11 VAL H 1 90 VAL HA . . 5.000 3.274 2.705 3.987 . 0 0 "[ . 1 . 2]" 1
13 1 11 VAL H 1 91 LEU H . . 5.000 4.415 2.613 5.150 0.150 16 0 "[ . 1 . 2]" 1
14 1 12 ILE H 1 13 ALA H . . 5.000 3.861 3.188 4.614 . 0 0 "[ . 1 . 2]" 1
15 1 12 ILE H 1 13 ALA HA . . 5.000 4.671 4.104 5.570 0.570 15 1 "[ . 1 + 2]" 1
16 1 12 ILE HA 1 13 ALA H . . 5.000 2.294 2.178 2.469 . 0 0 "[ . 1 . 2]" 1
17 1 12 ILE HA 1 91 LEU H . . 5.000 2.988 2.319 4.413 . 0 0 "[ . 1 . 2]" 1
18 1 13 ALA H 1 92 PHE HA . . 5.000 3.683 2.377 4.608 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLY H 1 15 ARG H . . 5.000 4.035 2.130 4.474 . 0 0 "[ . 1 . 2]" 1
20 1 16 PRO HA 1 17 ASN H . . 5.000 2.445 2.155 3.529 . 0 0 "[ . 1 . 2]" 1
21 1 17 ASN H 1 19 GLY H . . 5.000 4.426 3.372 5.987 0.987 14 2 "[ . - 1 +. 2]" 1
22 1 18 ALA HA 1 19 GLY H . . 5.000 3.284 2.337 3.640 . 0 0 "[ . 1 . 2]" 1
23 1 19 GLY H 1 20 LYS H . . 5.000 2.743 1.898 4.372 . 0 0 "[ . 1 . 2]" 1
24 1 20 LYS H 1 21 SER H . . 5.000 2.730 1.898 4.609 . 0 0 "[ . 1 . 2]" 1
25 1 20 LYS H 1 21 SER HA . . 5.000 5.046 4.517 6.173 1.173 17 5 "[ .*- 1 * * + 2]" 1
26 1 20 LYS H 1 22 SER H . . 5.000 3.783 2.853 4.741 . 0 0 "[ . 1 . 2]" 1
27 1 20 LYS HA 1 21 SER H . . 5.000 3.528 2.423 3.640 . 0 0 "[ . 1 . 2]" 1
28 1 20 LYS HA 1 22 SER H . . 5.000 4.671 3.912 5.192 0.192 15 0 "[ . 1 . 2]" 1
29 1 20 LYS HA 1 23 LEU H . . 5.000 3.747 3.389 4.383 . 0 0 "[ . 1 . 2]" 1
30 1 20 LYS HA 1 24 LEU H . . 5.000 4.323 3.479 5.027 0.027 20 0 "[ . 1 . 2]" 1
31 1 21 SER H 1 22 SER H . . 5.000 2.684 2.239 3.549 . 0 0 "[ . 1 . 2]" 1
32 1 21 SER H 1 23 LEU H . . 5.000 4.035 3.141 4.518 . 0 0 "[ . 1 . 2]" 1
33 1 21 SER H 1 24 LEU H . . 5.000 4.774 3.425 5.134 0.134 6 0 "[ . 1 . 2]" 1
34 1 21 SER HA 1 23 LEU H . . 5.000 4.275 3.709 4.969 . 0 0 "[ . 1 . 2]" 1
35 1 21 SER HA 1 24 LEU H . . 5.000 3.473 2.917 4.308 . 0 0 "[ . 1 . 2]" 1
36 1 21 SER HA 1 25 ASN H . . 5.000 4.298 3.752 5.076 0.076 11 0 "[ . 1 . 2]" 1
37 1 22 SER H 1 23 LEU H . . 5.000 2.766 2.439 2.999 . 0 0 "[ . 1 . 2]" 1
38 1 22 SER HA 1 23 LEU H . . 5.000 3.587 3.444 3.647 . 0 0 "[ . 1 . 2]" 1
39 1 22 SER HA 1 24 LEU H . . 5.000 4.739 4.185 5.173 0.173 15 0 "[ . 1 . 2]" 1
40 1 22 SER HA 1 25 ASN H . . 5.000 3.700 3.348 4.169 . 0 0 "[ . 1 . 2]" 1
41 1 22 SER HA 1 26 ALA H . . 5.000 4.766 3.879 6.914 1.914 11 3 "[ - 1+ . * 2]" 1
42 1 23 LEU HA 1 26 ALA H . . 5.000 3.753 3.063 5.858 0.858 18 2 "[ - 1 . + 2]" 1
43 1 24 LEU H 1 25 ASN H . . 5.000 3.001 2.629 3.340 . 0 0 "[ . 1 . 2]" 1
44 1 24 LEU HA 1 26 ALA H . . 5.000 4.520 3.762 5.112 0.112 2 0 "[ . 1 . 2]" 1
45 1 25 ASN H 1 26 ALA H . . 5.000 3.068 2.434 4.035 . 0 0 "[ . 1 . 2]" 1
46 1 25 ASN HA 1 26 ALA H . . 5.000 3.458 2.400 3.656 . 0 0 "[ . 1 . 2]" 1
47 1 25 ASN HA 1 27 LEU H . . 5.000 4.563 3.931 5.069 0.069 8 0 "[ . 1 . 2]" 1
48 1 25 ASN HA 1 29 GLY H . . 5.000 4.783 3.404 7.315 2.315 1 4 "[+ . 1 *-. * 2]" 1
49 1 26 ALA H 1 27 LEU H . . 5.000 2.788 1.973 3.581 . 0 0 "[ . 1 . 2]" 1
50 1 26 ALA HA 1 27 LEU H . . 5.000 3.569 2.600 3.643 . 0 0 "[ . 1 . 2]" 1
51 1 26 ALA HA 1 28 ALA H . . 5.000 4.535 3.716 5.165 0.165 9 0 "[ . 1 . 2]" 1
52 1 26 ALA HA 1 29 GLY H . . 5.000 5.053 3.673 8.530 3.530 14 7 "[* *.- 1 *+. * *2]" 1
53 1 27 LEU HA 1 29 GLY H . . 5.000 4.981 4.143 6.376 1.376 17 4 "[- . 1 **. + 2]" 1
54 1 28 ALA H 1 29 GLY H . . 5.000 2.999 2.088 4.508 . 0 0 "[ . 1 . 2]" 1
55 1 28 ALA H 1 30 ARG H . . 5.000 5.290 4.319 6.914 1.914 15 8 "[ * . **-1 +*** 2]" 1
56 1 28 ALA HA 1 29 GLY H . . 5.000 3.363 2.186 3.642 . 0 0 "[ . 1 . 2]" 1
57 1 30 ARG H 1 31 GLU H . . 5.000 4.168 2.331 4.670 . 0 0 "[ . 1 . 2]" 1
58 1 30 ARG HA 1 32 ALA H . . 5.000 4.870 3.612 6.744 1.744 2 5 "[ +* . *1 - .* 2]" 1
59 1 31 GLU HA 1 32 ALA H . . 5.000 3.213 2.204 3.645 . 0 0 "[ . 1 . 2]" 1
60 1 35 VAL HA 1 36 THR H . . 5.000 2.270 2.183 2.480 . 0 0 "[ . 1 . 2]" 1
61 1 36 THR H 1 37 ASP H . . 5.000 4.421 3.911 4.608 . 0 0 "[ . 1 . 2]" 1
62 1 36 THR HA 1 37 ASP H . . 5.000 2.315 2.151 2.783 . 0 0 "[ . 1 . 2]" 1
63 1 38 ILE HA 1 40 GLY H . . 5.000 4.293 3.581 5.514 0.514 10 1 "[ . + . 2]" 1
64 1 39 ALA H 1 40 GLY H . . 5.000 2.775 2.026 4.389 . 0 0 "[ . 1 . 2]" 1
65 1 41 THR H 1 42 THR H . . 5.000 4.219 2.504 4.674 . 0 0 "[ . 1 . 2]" 1
66 1 41 THR HA 1 42 THR H . . 5.000 2.476 2.150 3.574 . 0 0 "[ . 1 . 2]" 1
67 1 42 THR H 1 45 VAL HA . . 5.000 4.280 3.080 6.180 1.180 4 3 "[ +. - 1 * . 2]" 1
68 1 42 THR HA 1 44 ASP H . . 5.000 3.937 3.535 4.322 . 0 0 "[ . 1 . 2]" 1
69 1 42 THR HA 1 45 VAL H . . 5.000 4.264 4.038 4.788 . 0 0 "[ . 1 . 2]" 1
70 1 43 ARG H 1 45 VAL H . . 5.000 3.789 3.253 4.089 . 0 0 "[ . 1 . 2]" 1
71 1 43 ARG HA 1 44 ASP H . . 5.000 3.564 3.220 3.649 . 0 0 "[ . 1 . 2]" 1
72 1 44 ASP H 1 45 VAL HA . . 5.000 4.638 3.917 4.849 . 0 0 "[ . 1 . 2]" 1
73 1 44 ASP HA 1 45 VAL H . . 5.000 3.402 3.267 3.485 . 0 0 "[ . 1 . 2]" 1
74 1 44 ASP HA 1 46 LEU H . . 5.000 4.319 4.166 4.585 . 0 0 "[ . 1 . 2]" 1
75 1 44 ASP HA 1 72 VAL H . . 5.000 3.872 3.226 4.728 . 0 0 "[ . 1 . 2]" 1
76 1 45 VAL HA 1 46 LEU H . . 5.000 3.246 2.768 3.642 . 0 0 "[ . 1 . 2]" 1
77 1 45 VAL HA 1 47 ARG H . . 5.000 4.580 3.342 5.594 0.594 12 1 "[ . 1 + . 2]" 1
78 1 46 LEU H 1 47 ARG H . . 5.000 3.871 2.630 4.497 . 0 0 "[ . 1 . 2]" 1
79 1 46 LEU HA 1 47 ARG H . . 5.000 2.353 2.177 2.871 . 0 0 "[ . 1 . 2]" 1
80 1 46 LEU HA 1 48 GLU H . . 5.000 3.195 2.995 3.786 . 0 0 "[ . 1 . 2]" 1
81 1 46 LEU HA 1 62 THR H . . 5.000 3.684 3.067 4.186 . 0 0 "[ . 1 . 2]" 1
82 1 47 ARG H 1 48 GLU H . . 5.000 2.158 1.838 3.110 . 0 0 "[ . 1 . 2]" 1
83 1 47 ARG H 1 48 GLU HA . . 5.000 4.505 4.323 4.951 . 0 0 "[ . 1 . 2]" 1
84 1 47 ARG HA 1 48 GLU H . . 5.000 3.199 2.877 3.604 . 0 0 "[ . 1 . 2]" 1
85 1 47 ARG HA 1 49 HIS H . . 5.000 3.561 3.147 4.129 . 0 0 "[ . 1 . 2]" 1
86 1 49 HIS H 1 50 ILE H . . 5.000 4.646 4.539 4.675 . 0 0 "[ . 1 . 2]" 1
87 1 50 ILE H 1 51 HIS H . . 5.000 3.861 1.910 4.508 . 0 0 "[ . 1 . 2]" 1
88 1 50 ILE H 1 51 HIS HA . . 5.000 4.442 3.865 4.921 . 0 0 "[ . 1 . 2]" 1
89 1 56 PRO HA 1 57 LEU H . . 5.000 2.891 2.150 3.539 . 0 0 "[ . 1 . 2]" 1
90 1 56 PRO HA 1 58 HIS H . . 5.000 4.369 3.196 6.194 1.194 19 2 "[ . 1 . +-]" 1
91 1 57 LEU H 1 58 HIS H . . 5.000 3.350 2.067 4.596 . 0 0 "[ . 1 . 2]" 1
92 1 57 LEU HA 1 58 HIS H . . 5.000 2.591 2.199 3.635 . 0 0 "[ . 1 . 2]" 1
93 1 58 HIS HA 1 59 ILE H . . 5.000 2.354 2.185 3.637 . 0 0 "[ . 1 . 2]" 1
94 1 59 ILE H 1 60 ILE H . . 5.000 4.207 2.886 4.605 . 0 0 "[ . 1 . 2]" 1
95 1 59 ILE HA 1 60 ILE H . . 5.000 2.337 2.176 3.579 . 0 0 "[ . 1 . 2]" 1
96 1 60 ILE H 1 61 ASP H . . 5.000 3.910 1.958 4.557 . 0 0 "[ . 1 . 2]" 1
97 1 60 ILE HA 1 61 ASP H . . 5.000 2.731 2.185 3.639 . 0 0 "[ . 1 . 2]" 1
98 1 61 ASP H 1 62 THR H . . 5.000 4.005 2.478 4.609 . 0 0 "[ . 1 . 2]" 1
99 1 61 ASP HA 1 63 ALA H . . 5.000 4.914 3.909 6.112 1.112 18 6 "[-* . * * . + *]" 1
100 1 62 THR HA 1 63 ALA H . . 5.000 2.622 2.150 3.633 . 0 0 "[ . 1 . 2]" 1
101 1 64 GLY H 1 65 LEU H . . 5.000 2.767 1.952 4.312 . 0 0 "[ . 1 . 2]" 1
102 1 65 LEU H 1 68 ALA H . . 5.000 3.994 3.101 6.671 1.671 12 1 "[ . 1 + . 2]" 1
103 1 66 ARG H 1 67 GLU H . . 5.000 2.844 2.281 4.206 . 0 0 "[ . 1 . 2]" 1
104 1 66 ARG HA 1 67 GLU H . . 5.000 3.614 3.492 3.651 . 0 0 "[ . 1 . 2]" 1
105 1 67 GLU H 1 68 ALA H . . 5.000 2.945 2.317 4.542 . 0 0 "[ . 1 . 2]" 1
106 1 67 GLU H 1 69 SER H . . 5.000 4.268 3.386 4.868 . 0 0 "[ . 1 . 2]" 1
107 1 67 GLU HA 1 70 ASP H . . 5.000 3.722 3.234 5.565 0.565 5 1 "[ + 1 . 2]" 1
108 1 67 GLU HA 1 71 GLU H . . 5.000 4.438 3.841 5.886 0.886 5 1 "[ + 1 . 2]" 1
109 1 68 ALA H 1 69 SER H . . 5.000 2.803 1.984 3.523 . 0 0 "[ . 1 . 2]" 1
110 1 68 ALA HA 1 70 ASP H . . 5.000 4.193 3.650 4.682 . 0 0 "[ . 1 . 2]" 1
111 1 68 ALA HA 1 72 VAL H . . 5.000 3.792 3.166 4.986 . 0 0 "[ . 1 . 2]" 1
112 1 69 SER H 1 70 ASP H . . 5.000 2.933 2.551 3.762 . 0 0 "[ . 1 . 2]" 1
113 1 70 ASP H 1 71 GLU H . . 5.000 2.615 1.967 3.030 . 0 0 "[ . 1 . 2]" 1
114 1 70 ASP HA 1 72 VAL H . . 5.000 4.393 3.859 4.708 . 0 0 "[ . 1 . 2]" 1
115 1 70 ASP HA 1 73 GLU H . . 5.000 3.529 3.071 4.276 . 0 0 "[ . 1 . 2]" 1
116 1 70 ASP HA 1 74 ARG H . . 5.000 5.156 4.007 6.540 1.540 1 6 "[+ *.* -* . *]" 1
117 1 71 GLU H 1 73 GLU H . . 5.000 4.195 3.420 5.161 0.161 13 0 "[ . 1 . 2]" 1
118 1 71 GLU H 1 74 ARG H . . 5.000 5.290 4.507 7.422 2.422 20 6 "[* *.* -* . +]" 1
119 1 71 GLU HA 1 72 VAL H . . 5.000 3.589 3.504 3.637 . 0 0 "[ . 1 . 2]" 1
120 1 72 VAL H 1 73 GLU H . . 5.000 2.719 2.461 3.294 . 0 0 "[ . 1 . 2]" 1
121 1 72 VAL H 1 74 ARG H . . 5.000 4.297 3.701 5.639 0.639 20 1 "[ . 1 . +]" 1
122 1 72 VAL HA 1 73 GLU H . . 5.000 3.580 3.464 3.640 . 0 0 "[ . 1 . 2]" 1
123 1 72 VAL HA 1 74 ARG H . . 5.000 4.016 3.456 4.511 . 0 0 "[ . 1 . 2]" 1
124 1 72 VAL HA 1 75 ILE H . . 5.000 3.587 3.043 4.080 . 0 0 "[ . 1 . 2]" 1
125 1 73 GLU H 1 75 ILE H . . 5.000 4.528 3.836 4.873 . 0 0 "[ . 1 . 2]" 1
126 1 73 GLU HA 1 76 GLY H . . 5.000 3.818 3.133 6.906 1.906 18 1 "[ . 1 . + 2]" 1
127 1 74 ARG H 1 76 GLY H . . 5.000 3.460 2.276 6.216 1.216 18 1 "[ . 1 . + 2]" 1
128 1 74 ARG HA 1 76 GLY H . . 5.000 4.125 3.613 4.964 . 0 0 "[ . 1 . 2]" 1
129 1 75 ILE HA 1 76 GLY H . . 5.000 3.463 2.230 3.621 . 0 0 "[ . 1 . 2]" 1
130 1 77 ILE H 1 78 GLU H . . 5.000 3.273 2.006 4.331 . 0 0 "[ . 1 . 2]" 1
131 1 77 ILE HA 1 78 GLU H . . 5.000 2.606 2.211 3.639 . 0 0 "[ . 1 . 2]" 1
132 1 78 GLU H 1 79 ARG H . . 5.000 4.187 2.957 4.654 . 0 0 "[ . 1 . 2]" 1
133 1 78 GLU HA 1 79 ARG H . . 5.000 2.464 2.236 2.760 . 0 0 "[ . 1 . 2]" 1
134 1 79 ARG H 1 80 ALA H . . 5.000 4.190 1.917 4.675 . 0 0 "[ . 1 . 2]" 1
135 1 79 ARG HA 1 80 ALA H . . 5.000 2.731 2.229 3.650 . 0 0 "[ . 1 . 2]" 1
136 1 80 ALA HA 1 82 GLN H . . 5.000 5.068 3.959 6.997 1.997 6 6 "[** .+-* 1* . 2]" 1
137 1 81 TRP HA 1 82 GLN H . . 5.000 2.677 2.206 3.640 . 0 0 "[ . 1 . 2]" 1
138 1 82 GLN H 1 83 GLU H . . 5.000 3.837 1.895 4.674 . 0 0 "[ . 1 . 2]" 1
139 1 84 ILE HA 1 85 GLU H . . 5.000 2.493 2.176 3.623 . 0 0 "[ . 1 . 2]" 1
140 1 85 GLU HA 1 86 GLN H . . 5.000 2.610 2.216 3.645 . 0 0 "[ . 1 . 2]" 1
141 1 86 GLN H 1 87 ALA H . . 5.000 4.461 4.128 4.624 . 0 0 "[ . 1 . 2]" 1
142 1 86 GLN HA 1 87 ALA H . . 5.000 2.535 2.224 2.965 . 0 0 "[ . 1 . 2]" 1
143 1 87 ALA HA 1 88 ASP H . . 5.000 2.365 2.207 2.635 . 0 0 "[ . 1 . 2]" 1
144 1 87 ALA HA 1 89 ARG H . . 5.000 4.146 3.540 4.562 . 0 0 "[ . 1 . 2]" 1
145 1 88 ASP H 1 89 ARG H . . 5.000 2.204 1.897 3.458 . 0 0 "[ . 1 . 2]" 1
146 1 89 ARG H 1 90 VAL H . . 5.000 4.221 3.409 4.571 . 0 0 "[ . 1 . 2]" 1
147 1 90 VAL H 1 91 LEU H . . 5.000 4.285 3.855 4.541 . 0 0 "[ . 1 . 2]" 1
148 1 90 VAL H 1 91 LEU HA . . 5.000 4.778 4.463 5.109 0.109 20 0 "[ . 1 . 2]" 1
149 1 90 VAL H 1 117 ALA HA . . 5.000 2.849 2.240 3.429 . 0 0 "[ . 1 . 2]" 1
150 1 90 VAL H 1 118 LYS H . . 5.000 4.224 3.364 6.511 1.511 1 1 "[+ . 1 . 2]" 1
151 1 90 VAL HA 1 91 LEU H . . 5.000 2.267 2.183 2.468 . 0 0 "[ . 1 . 2]" 1
152 1 91 LEU HA 1 92 PHE H . . 5.000 2.276 2.179 2.673 . 0 0 "[ . 1 . 2]" 1
153 1 91 LEU HA 1 118 LYS H . . 5.000 3.100 2.063 5.007 0.007 1 0 "[ . 1 . 2]" 1
154 1 92 PHE H 1 93 MET H . . 5.000 4.406 3.736 4.648 . 0 0 "[ . 1 . 2]" 1
155 1 92 PHE H 1 119 LEU HA . . 5.000 4.000 3.112 4.892 . 0 0 "[ . 1 . 2]" 1
156 1 93 MET H 1 94 VAL H . . 5.000 4.347 2.605 4.675 . 0 0 "[ . 1 . 2]" 1
157 1 93 MET HA 1 94 VAL H . . 5.000 2.363 2.203 3.632 . 0 0 "[ . 1 . 2]" 1
158 1 94 VAL H 1 95 ASP H . . 5.000 4.101 2.056 4.617 . 0 0 "[ . 1 . 2]" 1
159 1 94 VAL HA 1 95 ASP H . . 5.000 2.448 2.182 3.599 . 0 0 "[ . 1 . 2]" 1
160 1 95 ASP H 1 98 THR H . . 5.000 5.266 3.726 7.161 2.161 19 6 "[ - * 1** . *+2]" 1
161 1 95 ASP HA 1 96 GLY H . . 5.000 2.681 2.252 3.654 . 0 0 "[ . 1 . 2]" 1
162 1 97 THR H 1 98 THR H . . 5.000 3.007 1.942 4.020 . 0 0 "[ . 1 . 2]" 1
163 1 97 THR HA 1 98 THR H . . 5.000 2.951 2.362 3.612 . 0 0 "[ . 1 . 2]" 1
164 1 98 THR H 1 99 THR H . . 5.000 4.347 3.776 4.636 . 0 0 "[ . 1 . 2]" 1
165 1 98 THR HA 1 99 THR H . . 5.000 2.231 2.149 2.958 . 0 0 "[ . 1 . 2]" 1
166 1 99 THR H 1 100 ASP H . . 5.000 4.098 3.323 4.599 . 0 0 "[ . 1 . 2]" 1
167 1 100 ASP H 1 102 VAL H . . 5.000 4.702 3.675 6.971 1.971 14 3 "[ * . 1 +. - 2]" 1
168 1 100 ASP H 1 103 ASP H . . 5.000 3.790 3.345 4.446 . 0 0 "[ . 1 . 2]" 1
169 1 100 ASP HA 1 102 VAL H . . 5.000 4.491 3.725 6.694 1.694 14 3 "[ * . 1 +. - 2]" 1
170 1 101 ALA H 1 102 VAL H . . 5.000 2.789 2.092 4.661 . 0 0 "[ . 1 . 2]" 1
171 1 101 ALA H 1 103 ASP H . . 5.000 4.152 3.439 4.875 . 0 0 "[ . 1 . 2]" 1
172 1 101 ALA HA 1 102 VAL H . . 5.000 3.210 2.497 3.528 . 0 0 "[ . 1 . 2]" 1
173 1 101 ALA HA 1 103 ASP H . . 5.000 3.792 3.467 4.078 . 0 0 "[ . 1 . 2]" 1
174 1 102 VAL H 1 105 ALA H . . 5.000 4.415 2.979 5.073 0.073 9 0 "[ . 1 . 2]" 1
175 1 102 VAL HA 1 103 ASP H . . 5.000 3.467 3.283 3.639 . 0 0 "[ . 1 . 2]" 1
176 1 102 VAL HA 1 105 ALA H . . 5.000 3.152 2.838 3.532 . 0 0 "[ . 1 . 2]" 1
177 1 103 ASP H 1 105 ALA H . . 5.000 3.726 3.498 4.137 . 0 0 "[ . 1 . 2]" 1
178 1 104 PRO HA 1 105 ALA H . . 5.000 3.397 3.228 3.518 . 0 0 "[ . 1 . 2]" 1
179 1 104 PRO HA 1 106 GLU H . . 5.000 3.695 3.260 5.008 0.008 4 0 "[ . 1 . 2]" 1
180 1 104 PRO HA 1 107 ILE H . . 5.000 3.349 2.845 4.600 . 0 0 "[ . 1 . 2]" 1
181 1 105 ALA H 1 107 ILE H . . 5.000 4.276 3.588 5.035 0.035 17 0 "[ . 1 . 2]" 1
182 1 105 ALA HA 1 106 GLU H . . 5.000 3.219 2.535 3.639 . 0 0 "[ . 1 . 2]" 1
183 1 105 ALA HA 1 107 ILE H . . 5.000 4.155 3.750 4.805 . 0 0 "[ . 1 . 2]" 1
184 1 106 GLU H 1 107 ILE H . . 5.000 2.367 1.841 3.343 . 0 0 "[ . 1 . 2]" 1
185 1 106 GLU HA 1 108 TRP H . . 5.000 4.182 3.420 5.083 0.083 4 0 "[ . 1 . 2]" 1
186 1 107 ILE HA 1 110 GLU H . . 5.000 4.473 2.897 6.633 1.633 9 1 "[ . +1 . 2]" 1
187 1 108 TRP HA 1 110 GLU H . . 5.000 4.080 3.627 7.009 2.009 9 1 "[ . +1 . 2]" 1
188 1 108 TRP HA 1 111 PHE H . . 5.000 4.124 3.634 5.681 0.681 9 1 "[ . +1 . 2]" 1
189 1 109 PRO HA 1 111 PHE H . . 5.000 4.564 3.704 5.184 0.184 3 0 "[ . 1 . 2]" 1
190 1 109 PRO HA 1 112 ILE H . . 5.000 4.285 3.403 5.029 0.029 2 0 "[ . 1 . 2]" 1
191 1 110 GLU H 1 111 PHE H . . 5.000 2.302 1.900 3.855 . 0 0 "[ . 1 . 2]" 1
192 1 110 GLU H 1 112 ILE H . . 5.000 3.372 2.502 4.898 . 0 0 "[ . 1 . 2]" 1
193 1 110 GLU HA 1 112 ILE H . . 5.000 4.053 3.597 4.526 . 0 0 "[ . 1 . 2]" 1
194 1 112 ILE H 1 113 ALA H . . 5.000 3.708 1.969 4.570 . 0 0 "[ . 1 . 2]" 1
195 1 113 ALA H 1 114 ARG H . . 5.000 4.237 3.226 4.523 . 0 0 "[ . 1 . 2]" 1
196 1 113 ALA HA 1 114 ARG H . . 5.000 2.572 2.199 3.527 . 0 0 "[ . 1 . 2]" 1
197 1 116 PRO HA 1 117 ALA H . . 5.000 2.335 2.153 2.679 . 0 0 "[ . 1 . 2]" 1
198 1 117 ALA H 1 118 LYS H . . 5.000 4.165 2.544 4.615 . 0 0 "[ . 1 . 2]" 1
199 1 117 ALA H 1 143 HIS H . . 5.000 3.402 2.042 6.010 1.010 11 2 "[ .- 1+ . 2]" 1
200 1 118 LYS H 1 119 LEU H . . 5.000 4.323 2.763 4.628 . 0 0 "[ . 1 . 2]" 1
201 1 118 LYS H 1 143 HIS H . . 5.000 4.899 2.361 7.732 2.732 11 4 "[ .* -1+ . * 2]" 1
202 1 118 LYS HA 1 119 LEU H . . 5.000 2.425 2.183 3.622 . 0 0 "[ . 1 . 2]" 1
203 1 118 LYS HA 1 144 ALA H . . 5.000 2.879 1.988 4.971 . 0 0 "[ . 1 . 2]" 1
204 1 119 LEU H 1 144 ALA H . . 5.000 3.949 3.108 5.881 0.881 4 2 "[ +. 1 - . 2]" 1
205 1 119 LEU H 1 145 LEU HA . . 5.000 3.421 2.156 6.549 1.549 13 1 "[ . 1 + . 2]" 1
206 1 120 PRO HA 1 146 ILE H . . 5.000 2.913 2.211 3.970 . 0 0 "[ . 1 . 2]" 1
207 1 121 ILE H 1 122 THR H . . 5.000 4.117 1.879 4.623 . 0 0 "[ . 1 . 2]" 1
208 1 121 ILE H 1 146 ILE H . . 5.000 4.120 3.084 5.189 0.189 6 0 "[ . 1 . 2]" 1
209 1 121 ILE H 1 147 ARG H . . 5.000 4.055 2.671 4.916 . 0 0 "[ . 1 . 2]" 1
210 1 121 ILE H 1 147 ARG HA . . 5.000 2.232 1.931 2.947 . 0 0 "[ . 1 . 2]" 1
211 1 121 ILE H 1 148 LEU H . . 5.000 4.076 2.929 5.191 0.191 4 0 "[ . 1 . 2]" 1
212 1 121 ILE HA 1 122 THR H . . 5.000 2.537 2.182 3.623 . 0 0 "[ . 1 . 2]" 1
213 1 122 THR HA 1 123 VAL H . . 5.000 2.297 2.152 2.581 . 0 0 "[ . 1 . 2]" 1
214 1 122 THR HA 1 124 VAL H . . 5.000 4.345 3.648 5.590 0.590 10 1 "[ . + . 2]" 1
215 1 123 VAL HA 1 124 VAL H . . 5.000 2.702 2.232 3.638 . 0 0 "[ . 1 . 2]" 1
216 1 124 VAL HA 1 125 ARG H . . 5.000 2.592 2.182 3.538 . 0 0 "[ . 1 . 2]" 1
217 1 126 ASN HA 1 127 LYS H . . 5.000 2.708 2.252 3.656 . 0 0 "[ . 1 . 2]" 1
218 1 127 LYS HA 1 130 ILE H . . 5.000 4.304 2.873 6.815 1.815 11 4 "[ . * 1+ . *-2]" 1
219 1 128 ALA HA 1 131 THR H . . 5.000 4.957 3.045 7.366 2.366 7 7 "[ -*. + ** . **2]" 1
220 1 129 ASP H 1 130 ILE H . . 5.000 2.795 1.877 3.966 . 0 0 "[ . 1 . 2]" 1
221 1 129 ASP H 1 131 THR H . . 5.000 4.321 2.309 6.239 1.239 4 4 "[ -+. * * . 2]" 1
222 1 129 ASP H 1 132 GLY H . . 5.000 5.042 2.948 7.054 2.054 14 8 "[ **. * *- +. **2]" 1
223 1 130 ILE HA 1 132 GLY H . . 5.000 4.508 3.388 6.151 1.151 14 1 "[ . 1 +. 2]" 1
224 1 131 THR H 1 132 GLY H . . 5.000 2.822 2.040 3.592 . 0 0 "[ . 1 . 2]" 1
225 1 131 THR HA 1 132 GLY H . . 5.000 3.529 2.218 3.634 . 0 0 "[ . 1 . 2]" 1
226 1 131 THR HA 1 134 THR H . . 5.000 3.836 3.335 5.694 0.694 14 1 "[ . 1 +. 2]" 1
227 1 131 THR HA 1 135 LEU H . . 5.000 3.853 3.006 5.533 0.533 14 1 "[ . 1 +. 2]" 1
228 1 132 GLY H 1 133 GLU H . . 5.000 3.052 2.301 3.680 . 0 0 "[ . 1 . 2]" 1
229 1 132 GLY H 1 134 THR H . . 5.000 4.416 3.627 5.682 0.682 14 1 "[ . 1 +. 2]" 1
230 1 133 GLU H 1 136 GLY H . . 5.000 5.205 2.611 8.519 3.519 13 6 "[** . -1 +** 2]" 1
231 1 133 GLU HA 1 134 THR H . . 5.000 3.462 2.334 3.646 . 0 0 "[ . 1 . 2]" 1
232 1 133 GLU HA 1 136 GLY H . . 5.000 4.298 2.948 7.716 2.716 2 4 "[ + . 1 *-* 2]" 1
233 1 134 THR HA 1 136 GLY H . . 5.000 4.755 3.554 6.323 1.323 2 4 "[-+* . 1 * . 2]" 1
234 1 134 THR HA 1 137 MET H . . 5.000 4.237 3.357 5.648 0.648 4 1 "[ +. 1 . 2]" 1
235 1 135 LEU H 1 136 GLY H . . 5.000 2.958 2.109 4.665 . 0 0 "[ . 1 . 2]" 1
236 1 135 LEU H 1 137 MET H . . 5.000 4.621 3.958 5.554 0.554 13 1 "[ . 1 + . 2]" 1
237 1 135 LEU HA 1 137 MET H . . 5.000 4.400 3.312 5.596 0.596 3 1 "[ + . 1 . 2]" 1
238 1 136 GLY H 1 137 MET H . . 5.000 3.109 2.238 3.712 . 0 0 "[ . 1 . 2]" 1
239 1 137 MET HA 1 139 GLU H . . 5.000 4.471 3.296 6.274 1.274 5 4 "[ + 1 * - * 2]" 1
240 1 142 GLY H 1 143 HIS H . . 5.000 4.444 3.166 4.673 . 0 0 "[ . 1 . 2]" 1
241 1 143 HIS H 1 144 ALA H . . 5.000 2.884 1.900 3.949 . 0 0 "[ . 1 . 2]" 1
242 1 143 HIS HA 1 144 ALA H . . 5.000 3.495 2.385 3.642 . 0 0 "[ . 1 . 2]" 1
243 1 145 LEU H 1 146 ILE H . . 5.000 3.887 2.955 4.409 . 0 0 "[ . 1 . 2]" 1
244 1 146 ILE H 1 147 ARG HA . . 5.000 4.698 4.347 4.954 . 0 0 "[ . 1 . 2]" 1
245 1 146 ILE HA 1 147 ARG H . . 5.000 2.283 2.176 2.490 . 0 0 "[ . 1 . 2]" 1
246 1 148 LEU HA 1 149 SER H . . 5.000 2.519 2.231 2.814 . 0 0 "[ . 1 . 2]" 1
247 1 148 LEU HA 1 154 GLU H . . 5.000 4.410 3.110 6.547 1.547 10 6 "[ - . + ** * *]" 1
248 1 148 LEU HA 1 155 GLY H . . 5.000 3.072 2.139 4.439 . 0 0 "[ . 1 . 2]" 1
249 1 149 SER H 1 150 ALA HA . . 5.000 4.433 3.869 5.008 0.008 3 0 "[ . 1 . 2]" 1
250 1 150 ALA HA 1 151 ARG H . . 5.000 3.433 2.240 3.643 . 0 0 "[ . 1 . 2]" 1
251 1 151 ARG HA 1 152 THR H . . 5.000 3.426 2.265 3.650 . 0 0 "[ . 1 . 2]" 1
252 1 152 THR H 1 153 GLY H . . 5.000 3.080 1.936 4.630 . 0 0 "[ . 1 . 2]" 1
253 1 153 GLY H 1 154 GLU H . . 5.000 3.663 2.032 4.660 . 0 0 "[ . 1 . 2]" 1
254 1 154 GLU HA 1 155 GLY H . . 5.000 3.406 2.291 3.645 . 0 0 "[ . 1 . 2]" 1
255 1 154 GLU HA 1 156 VAL H . . 5.000 4.980 4.293 6.474 1.474 20 3 "[ * . 1 . - +]" 1
256 1 156 VAL H 1 158 VAL H . . 5.000 3.986 3.193 4.702 . 0 0 "[ . 1 . 2]" 1
257 1 156 VAL HA 1 157 ASP H . . 5.000 3.509 3.209 3.639 . 0 0 "[ . 1 . 2]" 1
258 1 156 VAL HA 1 158 VAL H . . 5.000 4.440 3.927 5.083 0.083 16 0 "[ . 1 . 2]" 1
259 1 156 VAL HA 1 159 LEU H . . 5.000 3.655 3.278 4.672 . 0 0 "[ . 1 . 2]" 1
260 1 157 ASP HA 1 158 VAL H . . 5.000 3.603 3.448 3.655 . 0 0 "[ . 1 . 2]" 1
261 1 157 ASP HA 1 160 ARG H . . 5.000 3.287 2.875 4.159 . 0 0 "[ . 1 . 2]" 1
262 1 157 ASP HA 1 161 ASN H . . 5.000 4.337 3.769 5.150 0.150 13 0 "[ . 1 . 2]" 1
263 1 158 VAL H 1 159 LEU H . . 5.000 2.767 2.360 3.313 . 0 0 "[ . 1 . 2]" 1
264 1 158 VAL H 1 160 ARG H . . 5.000 4.145 3.473 4.696 . 0 0 "[ . 1 . 2]" 1
265 1 158 VAL H 1 161 ASN H . . 5.000 4.918 4.640 5.651 0.651 8 1 "[ . + 1 . 2]" 1
266 1 158 VAL HA 1 160 ARG H . . 5.000 4.404 3.496 4.921 . 0 0 "[ . 1 . 2]" 1
267 1 158 VAL HA 1 161 ASN H . . 5.000 3.607 3.051 4.034 . 0 0 "[ . 1 . 2]" 1
268 1 159 LEU H 1 161 ASN H . . 5.000 4.042 2.564 4.790 . 0 0 "[ . 1 . 2]" 1
269 1 159 LEU HA 1 160 ARG H . . 5.000 3.561 3.062 3.636 . 0 0 "[ . 1 . 2]" 1
270 1 159 LEU HA 1 161 ASN H . . 5.000 4.235 3.721 4.701 . 0 0 "[ . 1 . 2]" 1
271 1 160 ARG HA 1 163 LEU H . . 5.000 3.523 3.096 4.337 . 0 0 "[ . 1 . 2]" 1
272 1 161 ASN H 1 163 LEU H . . 5.000 4.029 3.585 4.898 . 0 0 "[ . 1 . 2]" 1
273 1 161 ASN HA 1 162 HIS H . . 5.000 3.535 2.455 3.656 . 0 0 "[ . 1 . 2]" 1
274 1 161 ASN HA 1 163 LEU H . . 5.000 3.966 3.420 4.755 . 0 0 "[ . 1 . 2]" 1
275 1 161 ASN HA 1 164 LYS H . . 5.000 3.643 3.055 4.629 . 0 0 "[ . 1 . 2]" 1
276 1 162 HIS H 1 163 LEU H . . 5.000 2.651 2.023 3.313 . 0 0 "[ . 1 . 2]" 1
277 1 162 HIS H 1 164 LYS H . . 5.000 4.218 2.144 5.065 0.065 6 0 "[ . 1 . 2]" 1
278 1 162 HIS HA 1 163 LEU H . . 5.000 3.398 2.704 3.623 . 0 0 "[ . 1 . 2]" 1
279 1 162 HIS HA 1 164 LYS H . . 5.000 4.201 3.272 4.751 . 0 0 "[ . 1 . 2]" 1
280 1 162 HIS HA 1 165 GLN H . . 5.000 3.740 3.036 4.946 . 0 0 "[ . 1 . 2]" 1
281 1 162 HIS HA 1 166 SER H . . 5.000 4.364 3.477 5.835 0.835 13 1 "[ . 1 + . 2]" 1
282 1 163 LEU H 1 164 LYS H . . 5.000 2.451 1.918 3.161 . 0 0 "[ . 1 . 2]" 1
283 1 163 LEU H 1 165 GLN H . . 5.000 4.066 2.537 4.874 . 0 0 "[ . 1 . 2]" 1
284 1 163 LEU HA 1 166 SER H . . 5.000 3.862 3.203 5.587 0.587 13 1 "[ . 1 + . 2]" 1
285 1 164 LYS H 1 166 SER H . . 5.000 4.199 2.921 5.077 0.077 13 0 "[ . 1 . 2]" 1
286 1 164 LYS HA 1 166 SER H . . 5.000 4.302 3.675 5.087 0.087 17 0 "[ . 1 . 2]" 1
287 1 164 LYS HA 1 167 MET H . . 5.000 3.940 3.193 5.124 0.124 18 0 "[ . 1 . 2]" 1
288 1 165 GLN HA 1 166 SER H . . 5.000 3.544 2.586 3.645 . 0 0 "[ . 1 . 2]" 1
289 1 166 SER H 1 167 MET H . . 5.000 2.910 1.839 3.776 . 0 0 "[ . 1 . 2]" 1
290 1 167 MET H 1 168 GLY H . . 5.000 4.244 2.451 4.636 . 0 0 "[ . 1 . 2]" 1
291 1 169 ILE H 1 170 HIS H . . 5.000 4.425 2.890 4.669 . 0 0 "[ . 1 . 2]" 1
292 1 169 ILE HA 1 170 HIS H . . 5.000 2.339 2.177 3.571 . 0 0 "[ . 1 . 2]" 1
293 1 170 HIS HA 1 172 ASP H . . 5.000 5.110 3.791 6.625 1.625 12 8 "[ ** . *1 + * *- *]" 1
294 1 171 ARG HA 1 172 ASP H . . 5.000 2.994 2.230 3.650 . 0 0 "[ . 1 . 2]" 1
stop_
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