Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556592 | 2m03 RC | 18792 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m03
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 500
_Distance_constraint_stats_list.Viol_count 3130
_Distance_constraint_stats_list.Viol_total 18203.961
_Distance_constraint_stats_list.Viol_max 1.849
_Distance_constraint_stats_list.Viol_rms 0.2114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0910
_Distance_constraint_stats_list.Viol_average_violations_only 0.2908
_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 8 SER 1.156 0.165 3 0 "[ . 1 . 2]"
1 9 ASN 8.387 0.518 5 1 "[ + 1 . 2]"
1 10 ARG 9.390 0.700 7 6 "[ * + -1* .* *]"
1 11 GLU 8.387 0.518 5 1 "[ + 1 . 2]"
1 12 LEU 18.987 0.878 2 2 "[ + . - 1 . 2]"
1 13 VAL 66.671 1.658 3 20 [**+***********-*****]
1 14 VAL 19.320 0.722 20 17 "[*** *-* **** ******+]"
1 15 ASP 13.136 0.707 16 5 "[ . **-1 .+* 2]"
1 16 PHE 4.403 0.347 16 0 "[ . 1 . 2]"
1 17 LEU 49.243 1.551 4 20 [***+********-*******]
1 18 SER 20.339 0.824 14 19 "[*************+*- ***]"
1 19 TYR 10.433 0.433 3 0 "[ . 1 . 2]"
1 20 LYS 2.706 0.188 14 0 "[ . 1 . 2]"
1 21 LEU 35.874 1.252 15 17 "[***** ***1***-+* ***]"
1 22 SER 18.912 1.511 12 12 "[ * -. ***1 +**** **]"
1 23 GLN 20.948 0.730 15 4 "[ . *-1 + * 2]"
1 24 LYS 7.832 1.197 16 2 "[ . -1 .+ 2]"
1 25 GLY 13.779 0.557 18 2 "[ . -1 . + 2]"
1 26 TYR 14.124 0.730 15 3 "[ . * 1 - + 2]"
1 27 SER 6.459 0.414 5 0 "[ . 1 . 2]"
1 28 TRP 11.458 0.648 15 3 "[ . * 1 + -2]"
1 29 SER 0.092 0.092 1 0 "[ . 1 . 2]"
1 30 GLN 5.219 0.615 15 1 "[ . 1 + 2]"
1 31 PHE 0.092 0.092 1 0 "[ . 1 . 2]"
1 32 SER 4.553 0.615 15 1 "[ . 1 + 2]"
1 33 ASP 9.305 0.792 13 12 "[*** . *1-*+*.*** *]"
1 34 VAL 8.298 0.792 13 12 "[*** . *1-*+*.*** *]"
1 35 GLU 1.082 0.224 13 0 "[ . 1 . 2]"
1 39 THR 0.242 0.106 1 0 "[ . 1 . 2]"
1 40 GLU 1.020 0.232 3 0 "[ . 1 . 2]"
1 41 ALA 0.778 0.232 3 0 "[ . 1 . 2]"
1 43 GLU 0.839 0.200 19 0 "[ . 1 . 2]"
1 44 GLY 1.574 0.200 19 0 "[ . 1 . 2]"
1 45 THR 0.398 0.163 17 0 "[ . 1 . 2]"
1 46 GLU 0.517 0.151 7 0 "[ . 1 . 2]"
1 47 SER 3.565 0.247 15 0 "[ . 1 . 2]"
1 48 GLU 1.651 0.199 3 0 "[ . 1 . 2]"
1 49 ALA 3.839 0.247 15 0 "[ . 1 . 2]"
1 50 VAL 15.982 0.944 2 6 "[*+* * * 1 * 2]"
1 51 LYS 10.805 0.878 2 3 "[ + . * 1 - 2]"
1 52 GLN 15.824 0.690 9 8 "[ ***. -+1 **. *]"
1 53 ALA 23.697 0.705 16 11 "[* **- **** .+* *2]"
1 54 LEU 88.964 1.314 17 20 [*****-**********+***]
1 55 ARG 13.378 0.508 9 2 "[ . +1- . 2]"
1 56 GLU 16.461 0.690 9 8 "[ ***. -+1 **. *]"
1 57 ALA 12.181 0.336 11 0 "[ . 1 . 2]"
1 58 GLY 6.612 0.314 20 0 "[ . 1 . 2]"
1 59 ASP 8.988 0.319 7 0 "[ . 1 . 2]"
1 60 GLU 12.883 0.735 4 3 "[ +. 1 . *-2]"
1 61 PHE 6.572 0.283 2 0 "[ . 1 . 2]"
1 62 GLU 5.705 0.352 13 0 "[ . 1 . 2]"
1 63 LEU 7.758 0.377 14 0 "[ . 1 . 2]"
1 64 ARG 0.010 0.010 4 0 "[ . 1 . 2]"
1 65 TYR 5.639 0.377 14 0 "[ . 1 . 2]"
1 66 ARG 1.142 0.157 18 0 "[ . 1 . 2]"
1 67 ARG 0.761 0.157 8 0 "[ . 1 . 2]"
1 68 ALA 1.074 0.179 14 0 "[ . 1 . 2]"
1 69 PHE 1.103 0.149 7 0 "[ . 1 . 2]"
1 70 SER 0.828 0.179 14 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 45.390 1.450 17 20 [*********-******+***]
1 73 THR 2.045 0.229 14 0 "[ . 1 . 2]"
1 74 SER 4.994 0.322 16 0 "[ . 1 . 2]"
1 75 GLN 3.561 0.229 14 0 "[ . 1 . 2]"
1 76 LEU 0.159 0.095 13 0 "[ . 1 . 2]"
1 77 HIS 1.652 0.164 2 0 "[ . 1 . 2]"
1 78 ILE 28.602 1.189 15 20 [*-************+*****]
1 84 TYR 0.305 0.095 18 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 4.685 0.291 11 0 "[ . 1 . 2]"
1 89 GLN 10.466 0.431 5 0 "[ . 1 . 2]"
1 90 VAL 8.485 0.888 11 1 "[ . 1+ . 2]"
1 91 VAL 18.610 0.340 4 0 "[ . 1 . 2]"
1 92 ASN 10.453 0.431 5 0 "[ . 1 . 2]"
1 93 GLU 13.497 0.839 11 4 "[ .* -+ * 2]"
1 94 LEU 5.537 0.395 10 0 "[ . 1 . 2]"
1 95 PHE 32.624 1.450 17 20 [***************-+***]
1 96 ARG 7.369 0.566 11 2 "[ . 1+ -. 2]"
1 97 ASP 6.105 0.567 11 2 "[ . 1+ .- 2]"
1 98 GLY 7.384 0.566 11 2 "[ . 1+ -. 2]"
1 99 VAL 48.546 1.849 16 19 "[******** **-***+****]"
1 100 ASN 1.584 0.437 10 0 "[ . 1 . 2]"
1 101 TRP 16.235 0.720 19 9 "[- *** * * * * +2]"
1 102 GLY 13.444 0.866 11 9 "[ * *.- * *+ *** 2]"
1 103 ARG 17.218 0.534 7 3 "[- * + 1 . 2]"
1 104 ILE 24.026 0.893 9 9 "[ * . +*****.-* 2]"
1 105 VAL 22.722 0.735 4 4 "[ +. 1 .- **2]"
1 106 ALA 17.324 0.866 11 9 "[ * *.- * *+ *** 2]"
1 107 PHE 5.526 0.315 13 0 "[ . 1 . 2]"
1 108 PHE 3.952 0.317 11 0 "[ . 1 . 2]"
1 109 SER 5.603 0.311 14 0 "[ . 1 . 2]"
1 110 PHE 11.697 0.349 17 0 "[ . 1 . 2]"
1 111 GLY 14.207 0.911 16 3 "[ . 1 .+- *]"
1 112 GLY 3.611 0.270 5 0 "[ . 1 . 2]"
1 113 ALA 16.819 1.286 12 6 "[ * . 1 + .**- *]"
1 114 LEU 12.603 1.359 12 7 "[ * - * 1 +* . **2]"
1 115 CYS 0.175 0.095 17 0 "[ . 1 . 2]"
1 116 VAL 40.020 1.511 12 18 [***-*****1*+**.*****]
1 117 GLU 6.799 0.437 13 0 "[ . 1 . 2]"
1 118 SER 22.616 1.252 15 13 "[***** 1***-+* **2]"
1 119 VAL 30.877 1.189 15 15 "[ *********** -+** 2]"
1 120 ASP 6.141 0.281 4 0 "[ . 1 . 2]"
1 121 LYS 6.290 0.460 18 0 "[ . 1 . 2]"
1 122 GLU 5.619 0.335 4 0 "[ . 1 . 2]"
1 124 GLN 6.181 0.449 10 0 "[ . 1 . 2]"
1 125 VAL 12.288 0.886 6 12 "[ * *+* 1**-*.* ***]"
1 126 LEU 34.572 0.886 6 16 "[* ***+***1**-*.* ***]"
1 127 VAL 5.340 0.481 17 0 "[ . 1 . 2]"
1 128 SER 13.475 0.553 19 5 "[* . 1 * -* +2]"
1 129 ARG 14.343 0.673 18 11 "[*-**. * 1 **. *+**]"
1 130 ILE 35.391 1.551 4 20 [***+**********-*****]
1 131 ALA 31.347 1.658 3 20 [**+***********-*****]
1 132 ALA 32.843 1.596 18 20 [****************-+**]
1 133 TRP 9.878 0.615 4 10 "[** +*** 1 * * -*2]"
1 134 MET 11.689 0.420 10 0 "[ . 1 . 2]"
1 135 ALA 5.955 0.296 16 0 "[ . 1 . 2]"
1 136 THR 8.547 0.420 10 0 "[ . 1 . 2]"
1 137 TYR 2.816 0.296 16 0 "[ . 1 . 2]"
1 138 LEU 12.019 0.458 3 0 "[ . 1 . 2]"
1 139 ASN 20.760 1.095 6 20 [*****+**********-***]
1 140 ASP 14.455 0.468 17 0 "[ . 1 . 2]"
1 141 HIS 26.431 1.095 6 20 [*****+**********-***]
1 142 LEU 39.662 1.183 1 16 "[+***.-** **** * ****]"
1 143 GLU 8.101 0.418 17 0 "[ . 1 . 2]"
1 145 TRP 36.862 1.849 16 20 [***************+****]
1 146 ILE 29.983 1.691 3 18 "[**+***** -* ********]"
1 147 GLN 2.821 0.181 13 0 "[ . 1 . 2]"
1 148 GLU 7.044 0.420 7 0 "[ . 1 . 2]"
1 149 ASN 11.142 0.420 7 0 "[ . 1 . 2]"
1 150 GLY 0.160 0.051 7 0 "[ . 1 . 2]"
1 151 GLY 4.257 0.383 5 0 "[ . 1 . 2]"
1 152 TRP 31.423 1.691 3 19 "[**+*****-** ********]"
1 153 ASP 15.300 0.944 2 6 "[*+- * * 1 * 2]"
1 154 THR 8.770 0.464 11 0 "[ . 1 . 2]"
1 155 PHE 14.824 0.506 5 1 "[ + 1 . 2]"
1 156 VAL 43.885 1.314 17 20 [*************-**+***]
1 157 GLU 8.216 0.506 5 1 "[ + 1 . 2]"
1 158 LEU 10.560 0.614 4 8 "[** +. * * -** 2]"
1 159 TYR 2.475 0.250 12 0 "[ . 1 . 2]"
1 160 GLY 2.807 0.231 13 0 "[ . 1 . 2]"
1 161 ASN 0.903 0.150 5 0 "[ . 1 . 2]"
1 162 ASN 0.493 0.124 3 0 "[ . 1 . 2]"
1 163 ALA 3.067 0.212 1 0 "[ . 1 . 2]"
1 164 ALA 1.691 0.173 13 0 "[ . 1 . 2]"
1 165 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 GLU 3.502 0.212 1 0 "[ . 1 . 2]"
1 167 SER 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 8 SER H 1 9 ASN H . . 3.520 2.705 2.572 2.869 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER H 1 10 ARG H . . 4.080 4.134 4.049 4.245 0.165 3 0 "[ . 1 . 2]" 1
3 1 9 ASN H 1 10 ARG H . . 3.200 2.648 2.561 2.754 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASN H 1 11 GLU H . . 3.690 4.109 4.020 4.208 0.518 5 1 "[ + 1 . 2]" 1
5 1 10 ARG H 1 11 GLU H . . 2.960 2.726 2.686 2.790 . 0 0 "[ . 1 . 2]" 1
6 1 10 ARG H 1 12 LEU H . . 4.040 4.072 3.976 4.196 0.156 1 0 "[ . 1 . 2]" 1
7 1 10 ARG H 1 152 TRP HE1 . . 6.500 6.846 6.020 7.200 0.700 7 6 "[ * + -1* .* *]" 1
8 1 11 GLU H 1 12 LEU H . . 2.960 2.627 2.570 2.698 . 0 0 "[ . 1 . 2]" 1
9 1 12 LEU H 1 12 LEU MD1 . . 5.500 3.736 2.456 4.253 . 0 0 "[ . 1 . 2]" 1
10 1 12 LEU H 1 12 LEU MD2 . . 5.500 3.963 2.509 4.310 . 0 0 "[ . 1 . 2]" 1
11 1 12 LEU H 1 13 VAL H . . 2.540 2.870 2.767 2.937 0.397 12 0 "[ . 1 . 2]" 1
12 1 12 LEU H 1 13 VAL QG . . 4.840 4.052 3.739 4.270 . 0 0 "[ . 1 . 2]" 1
13 1 12 LEU H 1 14 VAL H . . 3.830 4.165 4.084 4.281 0.451 16 0 "[ . 1 . 2]" 1
14 1 12 LEU QD 1 13 VAL H . . 5.130 3.709 2.781 4.035 . 0 0 "[ . 1 . 2]" 1
15 1 12 LEU QD 1 50 VAL QG . . 3.030 1.792 1.694 2.093 . 0 0 "[ . 1 . 2]" 1
16 1 12 LEU QD 1 54 LEU QD . . 3.210 2.394 1.838 3.386 0.176 7 0 "[ . 1 . 2]" 1
17 1 12 LEU QD 1 152 TRP HE1 . . 4.450 3.803 2.418 4.805 0.355 11 0 "[ . 1 . 2]" 1
18 1 12 LEU MD1 1 51 LYS H . . 5.500 4.365 3.019 6.293 0.793 7 1 "[ . + 1 . 2]" 1
19 1 12 LEU MD2 1 51 LYS H . . 5.500 4.795 2.205 6.378 0.878 2 1 "[ + . 1 . 2]" 1
20 1 13 VAL H 1 13 VAL QG . . 3.770 2.033 1.882 2.210 . 0 0 "[ . 1 . 2]" 1
21 1 13 VAL H 1 14 VAL H . . 3.100 2.607 2.515 2.822 . 0 0 "[ . 1 . 2]" 1
22 1 13 VAL H 1 14 VAL QG . . 5.070 4.178 3.775 4.470 . 0 0 "[ . 1 . 2]" 1
23 1 13 VAL H 1 15 ASP H . . 3.790 4.013 3.953 4.098 0.308 17 0 "[ . 1 . 2]" 1
24 1 13 VAL H 1 16 PHE H . . 4.950 4.952 4.752 5.144 0.194 17 0 "[ . 1 . 2]" 1
25 1 13 VAL QG 1 14 VAL H . . 5.160 2.814 2.074 3.371 . 0 0 "[ . 1 . 2]" 1
26 1 13 VAL QG 1 14 VAL QG . . 3.740 3.073 2.087 4.124 0.384 19 0 "[ . 1 . 2]" 1
27 1 13 VAL QG 1 15 ASP H . . 5.110 4.383 4.007 4.661 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL QG 1 17 LEU H . . 5.110 4.110 3.885 4.735 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL QG 1 17 LEU QD . . 3.170 2.245 1.904 2.932 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL QG 1 131 ALA H . . 5.110 6.573 6.028 6.768 1.658 3 20 [**+***********-*****] 1
31 1 13 VAL QG 1 132 ALA H . . 5.110 6.310 5.859 6.706 1.596 18 20 [**************-**+**] 1
32 1 13 VAL QG 1 134 MET H . . 5.500 5.507 5.161 5.720 0.220 16 0 "[ . 1 . 2]" 1
33 1 13 VAL QG 1 135 ALA H . . 5.270 3.770 3.312 4.015 . 0 0 "[ . 1 . 2]" 1
34 1 13 VAL QG 1 136 THR H . . 5.500 5.006 4.507 5.318 . 0 0 "[ . 1 . 2]" 1
35 1 13 VAL QG 1 138 LEU QD . . 2.390 2.091 1.861 2.443 0.053 10 0 "[ . 1 . 2]" 1
36 1 14 VAL H 1 14 VAL QG . . 3.660 2.386 1.938 2.671 . 0 0 "[ . 1 . 2]" 1
37 1 14 VAL H 1 15 ASP H . . 2.880 2.574 2.515 2.627 . 0 0 "[ . 1 . 2]" 1
38 1 14 VAL H 1 54 LEU QD . . 5.130 5.728 5.347 5.852 0.722 20 17 "[*** *-* **** ******+]" 1
39 1 14 VAL QG 1 15 ASP H . . 4.410 3.080 2.215 3.443 . 0 0 "[ . 1 . 2]" 1
40 1 15 ASP H 1 16 PHE H . . 2.810 2.724 2.605 2.796 . 0 0 "[ . 1 . 2]" 1
41 1 15 ASP H 1 17 LEU H . . 3.900 4.052 3.883 4.175 0.275 12 0 "[ . 1 . 2]" 1
42 1 15 ASP H 1 18 SER H . . 4.670 4.523 4.480 4.592 . 0 0 "[ . 1 . 2]" 1
43 1 15 ASP H 1 54 LEU QD . . 5.130 5.350 4.572 5.837 0.707 16 5 "[ . **-1 .+* 2]" 1
44 1 16 PHE H 1 17 LEU H . . 2.880 2.777 2.648 2.923 0.043 3 0 "[ . 1 . 2]" 1
45 1 16 PHE H 1 17 LEU QD . . 5.500 4.765 3.953 5.671 0.171 16 0 "[ . 1 . 2]" 1
46 1 16 PHE H 1 18 SER H . . 3.970 4.141 4.034 4.317 0.347 16 0 "[ . 1 . 2]" 1
47 1 16 PHE H 1 54 LEU QD . . 5.500 3.773 3.256 4.297 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU H 1 18 SER H . . 2.990 2.628 2.572 2.696 . 0 0 "[ . 1 . 2]" 1
49 1 17 LEU H 1 19 TYR H . . 3.760 4.136 4.076 4.193 0.433 3 0 "[ . 1 . 2]" 1
50 1 17 LEU H 1 54 LEU QD . . 5.130 4.756 4.205 5.193 0.063 6 0 "[ . 1 . 2]" 1
51 1 17 LEU QD 1 18 SER H . . 5.500 4.007 3.060 4.299 . 0 0 "[ . 1 . 2]" 1
52 1 17 LEU QD 1 19 TYR H . . 5.500 5.359 4.663 5.579 0.079 13 0 "[ . 1 . 2]" 1
53 1 17 LEU QD 1 111 GLY H . . 5.500 4.337 3.352 5.969 0.469 3 0 "[ . 1 . 2]" 1
54 1 17 LEU QD 1 112 GLY H . . 5.500 3.509 2.452 5.409 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU QD 1 113 ALA H . . 5.500 5.259 4.292 6.786 1.286 12 3 "[ * . 1 + . - 2]" 1
56 1 17 LEU QD 1 114 LEU H . . 5.500 5.860 5.208 6.859 1.359 12 7 "[ * - * 1 +* . **2]" 1
57 1 17 LEU QD 1 130 ILE H . . 5.500 6.566 5.816 7.051 1.551 4 19 "[***+*** ****-*******]" 1
58 1 17 LEU QD 1 131 ALA H . . 5.500 4.686 4.042 5.180 . 0 0 "[ . 1 . 2]" 1
59 1 17 LEU QD 1 132 ALA H . . 5.500 5.500 4.566 6.441 0.941 9 3 "[ . +1 . -* 2]" 1
60 1 18 SER H 1 19 TYR H . . 3.020 2.524 2.467 2.599 . 0 0 "[ . 1 . 2]" 1
61 1 18 SER H 1 20 LYS H . . 3.970 4.105 4.039 4.158 0.188 14 0 "[ . 1 . 2]" 1
62 1 18 SER H 1 21 LEU H . . 6.000 4.701 4.623 4.801 . 0 0 "[ . 1 . 2]" 1
63 1 18 SER H 1 54 LEU QD . . 5.810 6.520 6.265 6.634 0.824 14 19 "[*************+*- ***]" 1
64 1 19 TYR H 1 20 LYS H . . 2.780 2.670 2.619 2.721 . 0 0 "[ . 1 . 2]" 1
65 1 19 TYR H 1 21 LEU H . . 3.970 4.098 3.989 4.204 0.234 1 0 "[ . 1 . 2]" 1
66 1 20 LYS H 1 21 LEU H . . 2.710 2.662 2.592 2.715 0.005 10 0 "[ . 1 . 2]" 1
67 1 21 LEU H 1 21 LEU QD . . 4.720 3.550 2.666 3.786 . 0 0 "[ . 1 . 2]" 1
68 1 21 LEU H 1 22 SER H . . 2.880 2.855 2.742 2.956 0.076 8 0 "[ . 1 . 2]" 1
69 1 21 LEU H 1 23 GLN H . . 3.940 4.165 4.077 4.266 0.326 13 0 "[ . 1 . 2]" 1
70 1 21 LEU H 1 116 VAL QG . . 5.500 5.188 3.175 6.724 1.224 16 5 "[ . * *1 * .+ -]" 1
71 1 21 LEU QD 1 26 TYR H . . 5.160 4.487 3.688 5.744 0.584 13 1 "[ . 1 + . 2]" 1
72 1 21 LEU QD 1 28 TRP H . . 5.160 4.674 2.476 5.808 0.648 15 3 "[ . * 1 + -2]" 1
73 1 21 LEU QD 1 28 TRP HE1 . . 4.320 3.625 1.733 4.713 0.393 6 0 "[ . 1 . 2]" 1
74 1 21 LEU QD 1 118 SER H . . 5.160 5.863 4.511 6.412 1.252 15 13 "[***** 1***-+* **2]" 1
75 1 21 LEU QD 1 119 VAL H . . 5.160 4.638 3.671 5.364 0.204 16 0 "[ . 1 . 2]" 1
76 1 21 LEU QD 1 119 VAL QG . . 3.430 2.220 1.706 3.154 . 0 0 "[ . 1 . 2]" 1
77 1 21 LEU QD 1 127 VAL QG . . 2.970 2.834 1.818 3.132 0.162 14 0 "[ . 1 . 2]" 1
78 1 21 LEU MD1 1 22 SER H . . 5.500 4.415 3.792 4.762 . 0 0 "[ . 1 . 2]" 1
79 1 21 LEU MD2 1 22 SER H . . 5.500 3.498 2.339 4.442 . 0 0 "[ . 1 . 2]" 1
80 1 22 SER H 1 23 GLN H . . 2.920 2.690 2.579 2.796 . 0 0 "[ . 1 . 2]" 1
81 1 22 SER H 1 24 LYS H . . 4.180 4.081 3.960 4.336 0.156 1 0 "[ . 1 . 2]" 1
82 1 22 SER H 1 25 GLY H . . 4.920 5.145 4.828 5.309 0.389 1 0 "[ . 1 . 2]" 1
83 1 22 SER H 1 26 TYR H . . 4.780 4.847 4.586 5.461 0.681 15 2 "[ . - 1 + 2]" 1
84 1 22 SER H 1 116 VAL QG . . 5.500 5.965 4.773 7.011 1.511 12 10 "[ * -. * *1 +**.* **]" 1
85 1 23 GLN H 1 24 LYS H . . 2.780 2.801 2.703 2.870 0.090 1 0 "[ . 1 . 2]" 1
86 1 23 GLN H 1 25 GLY H . . 3.800 4.255 4.196 4.357 0.557 18 2 "[ . -1 . + 2]" 1
87 1 23 GLN H 1 26 TYR H . . 4.500 4.840 4.590 5.230 0.730 15 2 "[ . - 1 + 2]" 1
88 1 24 LYS H 1 25 GLY H . . 2.750 2.463 2.200 2.618 . 0 0 "[ . 1 . 2]" 1
89 1 24 LYS H 1 26 TYR H . . 3.600 3.792 3.699 3.967 0.367 15 0 "[ . 1 . 2]" 1
90 1 24 LYS H 1 116 VAL QG . . 5.500 4.903 3.464 6.697 1.197 16 2 "[ . -1 .+ 2]" 1
91 1 25 GLY H 1 26 TYR H . . 2.710 1.996 1.921 2.079 . 0 0 "[ . 1 . 2]" 1
92 1 26 TYR H 1 27 SER H . . 4.320 3.894 3.275 4.559 0.239 15 0 "[ . 1 . 2]" 1
93 1 27 SER H 1 28 TRP H . . 4.290 4.472 3.654 4.704 0.414 5 0 "[ . 1 . 2]" 1
94 1 27 SER H 1 30 GLN H . . 4.390 4.208 3.296 4.797 0.407 8 0 "[ . 1 . 2]" 1
95 1 27 SER H 1 32 SER H . . 6.000 5.523 3.966 6.262 0.262 15 0 "[ . 1 . 2]" 1
96 1 28 TRP H 1 28 TRP HE1 . . 6.000 4.880 4.196 5.886 . 0 0 "[ . 1 . 2]" 1
97 1 28 TRP H 1 29 SER H . . 3.450 2.790 2.586 2.912 . 0 0 "[ . 1 . 2]" 1
98 1 28 TRP H 1 30 GLN H . . 4.630 4.268 3.918 4.783 0.153 7 0 "[ . 1 . 2]" 1
99 1 29 SER H 1 30 GLN H . . 3.520 2.523 2.249 2.750 . 0 0 "[ . 1 . 2]" 1
100 1 29 SER H 1 31 PHE H . . 4.630 4.138 3.721 4.722 0.092 1 0 "[ . 1 . 2]" 1
101 1 30 GLN H 1 31 PHE H . . 3.060 2.344 1.898 2.916 . 0 0 "[ . 1 . 2]" 1
102 1 30 GLN H 1 32 SER H . . 3.830 3.981 3.281 4.445 0.615 15 1 "[ . 1 + 2]" 1
103 1 32 SER H 1 33 ASP H . . 4.570 4.288 3.554 4.689 0.119 14 0 "[ . 1 . 2]" 1
104 1 32 SER H 1 35 GLU H . . 5.020 4.602 3.501 5.134 0.114 10 0 "[ . 1 . 2]" 1
105 1 33 ASP H 1 34 VAL H . . 2.880 2.607 1.913 2.883 0.003 2 0 "[ . 1 . 2]" 1
106 1 33 ASP H 1 34 VAL MG1 . . 5.500 4.773 3.298 6.292 0.792 13 6 "[**- . 1 + . * *]" 1
107 1 33 ASP H 1 34 VAL MG2 . . 5.500 5.117 2.827 6.229 0.729 14 6 "[ . *1-* +.* * 2]" 1
108 1 33 ASP H 1 35 GLU H . . 4.320 4.185 3.307 4.544 0.224 13 0 "[ . 1 . 2]" 1
109 1 34 VAL H 1 35 GLU H . . 3.130 2.398 1.938 2.992 . 0 0 "[ . 1 . 2]" 1
110 1 34 VAL QG 1 35 GLU H . . 4.080 3.023 1.995 3.858 . 0 0 "[ . 1 . 2]" 1
111 1 39 THR H 1 40 GLU H . . 3.310 2.748 2.022 3.416 0.106 1 0 "[ . 1 . 2]" 1
112 1 40 GLU H 1 41 ALA H . . 2.810 2.653 1.961 3.042 0.232 3 0 "[ . 1 . 2]" 1
113 1 43 GLU H 1 44 GLY H . . 3.020 2.900 2.316 3.220 0.200 19 0 "[ . 1 . 2]" 1
114 1 44 GLY H 1 45 THR H . . 3.580 2.866 2.046 3.743 0.163 17 0 "[ . 1 . 2]" 1
115 1 44 GLY H 1 46 GLU H . . 4.850 4.564 3.702 5.001 0.151 7 0 "[ . 1 . 2]" 1
116 1 45 THR H 1 46 GLU H . . 3.270 2.619 1.987 3.360 0.090 15 0 "[ . 1 . 2]" 1
117 1 47 SER H 1 49 ALA H . . 4.040 4.214 3.960 4.287 0.247 15 0 "[ . 1 . 2]" 1
118 1 48 GLU H 1 49 ALA H . . 2.750 2.591 2.461 2.807 0.057 7 0 "[ . 1 . 2]" 1
119 1 48 GLU H 1 50 VAL H . . 4.570 4.602 4.251 4.769 0.199 3 0 "[ . 1 . 2]" 1
120 1 49 ALA H 1 50 VAL H . . 2.880 2.820 2.613 2.973 0.093 10 0 "[ . 1 . 2]" 1
121 1 49 ALA H 1 50 VAL QG . . 5.110 4.112 3.702 4.400 . 0 0 "[ . 1 . 2]" 1
122 1 50 VAL H 1 51 LYS H . . 2.540 2.614 2.547 2.679 0.139 2 0 "[ . 1 . 2]" 1
123 1 50 VAL H 1 156 VAL QG . . 5.050 3.522 2.905 4.085 . 0 0 "[ . 1 . 2]" 1
124 1 50 VAL QG 1 53 ALA H . . 5.260 4.301 4.123 4.491 . 0 0 "[ . 1 . 2]" 1
125 1 50 VAL QG 1 54 LEU H . . 5.260 3.856 3.596 4.577 . 0 0 "[ . 1 . 2]" 1
126 1 50 VAL QG 1 54 LEU QD . . 3.210 3.339 2.929 3.614 0.404 2 0 "[ . 1 . 2]" 1
127 1 50 VAL QG 1 152 TRP H . . 5.260 5.065 4.537 5.877 0.617 7 2 "[ - . + 1 . 2]" 1
128 1 50 VAL QG 1 153 ASP H . . 5.260 5.617 5.266 6.204 0.944 2 6 "[*+- * * 1 * 2]" 1
129 1 50 VAL QG 1 156 VAL QG . . 2.840 2.254 1.775 2.897 0.057 5 0 "[ . 1 . 2]" 1
130 1 50 VAL MG1 1 52 GLN H . . 5.500 5.223 4.551 5.606 0.106 2 0 "[ . 1 . 2]" 1
131 1 50 VAL MG2 1 52 GLN H . . 5.500 5.452 4.505 5.617 0.117 6 0 "[ . 1 . 2]" 1
132 1 51 LYS H 1 52 GLN H . . 2.850 2.767 2.582 2.911 0.061 16 0 "[ . 1 . 2]" 1
133 1 51 LYS H 1 53 ALA H . . 3.940 4.087 3.933 4.188 0.248 3 0 "[ . 1 . 2]" 1
134 1 51 LYS H 1 54 LEU H . . 5.100 4.723 4.628 4.881 . 0 0 "[ . 1 . 2]" 1
135 1 51 LYS H 1 156 VAL QG . . 5.330 5.412 4.953 5.935 0.605 15 1 "[ . 1 + 2]" 1
136 1 52 GLN H 1 53 ALA H . . 2.780 2.594 2.536 2.666 . 0 0 "[ . 1 . 2]" 1
137 1 52 GLN H 1 54 LEU H . . 3.760 4.076 3.988 4.127 0.367 6 0 "[ . 1 . 2]" 1
138 1 52 GLN H 1 56 GLU H . . 5.500 5.917 5.271 6.190 0.690 9 8 "[ ***. -+1 **. *]" 1
139 1 53 ALA H 1 54 LEU H . . 2.810 2.682 2.581 2.846 0.036 16 0 "[ . 1 . 2]" 1
140 1 53 ALA H 1 54 LEU QD . . 5.130 5.619 5.437 5.835 0.705 16 9 "[* **- * * .+* *2]" 1
141 1 53 ALA H 1 55 ARG H . . 3.760 4.190 4.090 4.268 0.508 9 2 "[ . +1- . 2]" 1
142 1 53 ALA H 1 156 VAL QG . . 5.330 5.404 5.081 5.618 0.288 17 0 "[ . 1 . 2]" 1
143 1 54 LEU H 1 55 ARG H . . 2.990 2.466 2.200 2.667 . 0 0 "[ . 1 . 2]" 1
144 1 54 LEU H 1 56 GLU H . . 3.900 4.109 3.916 4.210 0.310 14 0 "[ . 1 . 2]" 1
145 1 54 LEU H 1 57 ALA H . . 4.530 4.628 4.397 4.687 0.157 3 0 "[ . 1 . 2]" 1
146 1 54 LEU H 1 156 VAL QG . . 5.330 6.498 6.378 6.644 1.314 17 20 [****-***********+***] 1
147 1 54 LEU QD 1 58 GLY H . . 5.130 3.680 3.250 4.362 . 0 0 "[ . 1 . 2]" 1
148 1 54 LEU QD 1 105 VAL QG . . 3.450 3.841 3.759 3.965 0.515 16 1 "[ . 1 .+ 2]" 1
149 1 55 ARG H 1 56 GLU H . . 2.920 2.691 2.608 2.734 . 0 0 "[ . 1 . 2]" 1
150 1 55 ARG H 1 57 ALA H . . 3.900 4.139 4.053 4.236 0.336 11 0 "[ . 1 . 2]" 1
151 1 55 ARG H 1 58 GLY H . . 4.850 4.556 4.331 4.741 . 0 0 "[ . 1 . 2]" 1
152 1 56 GLU H 1 57 ALA H . . 2.920 2.630 2.532 2.715 . 0 0 "[ . 1 . 2]" 1
153 1 56 GLU H 1 58 GLY H . . 3.830 4.015 3.851 4.144 0.314 20 0 "[ . 1 . 2]" 1
154 1 57 ALA H 1 58 GLY H . . 3.020 2.639 2.580 2.698 . 0 0 "[ . 1 . 2]" 1
155 1 57 ALA H 1 59 ASP H . . 3.900 4.166 4.094 4.219 0.319 7 0 "[ . 1 . 2]" 1
156 1 58 GLY H 1 59 ASP H . . 2.990 2.551 2.497 2.624 . 0 0 "[ . 1 . 2]" 1
157 1 58 GLY H 1 60 GLU H . . 3.970 4.107 4.026 4.186 0.216 13 0 "[ . 1 . 2]" 1
158 1 58 GLY H 1 61 PHE H . . 4.780 4.738 4.643 4.857 0.077 13 0 "[ . 1 . 2]" 1
159 1 58 GLY H 1 105 VAL QG . . 5.050 4.497 3.543 5.010 . 0 0 "[ . 1 . 2]" 1
160 1 59 ASP H 1 60 GLU H . . 2.810 2.630 2.561 2.701 . 0 0 "[ . 1 . 2]" 1
161 1 59 ASP H 1 61 PHE H . . 4.000 4.183 4.083 4.283 0.283 2 0 "[ . 1 . 2]" 1
162 1 60 GLU H 1 61 PHE H . . 2.880 2.641 2.552 2.719 . 0 0 "[ . 1 . 2]" 1
163 1 60 GLU H 1 62 GLU H . . 3.790 4.074 4.000 4.142 0.352 13 0 "[ . 1 . 2]" 1
164 1 60 GLU H 1 105 VAL QG . . 5.410 5.477 4.599 6.145 0.735 4 3 "[ +. 1 . *-2]" 1
165 1 61 PHE H 1 62 GLU H . . 3.060 2.636 2.516 2.700 . 0 0 "[ . 1 . 2]" 1
166 1 61 PHE H 1 63 LEU H . . 3.940 4.077 3.935 4.175 0.235 14 0 "[ . 1 . 2]" 1
167 1 61 PHE H 1 105 VAL QG . . 5.410 3.946 3.346 4.617 . 0 0 "[ . 1 . 2]" 1
168 1 62 GLU H 1 63 LEU H . . 2.670 2.574 2.514 2.654 . 0 0 "[ . 1 . 2]" 1
169 1 62 GLU H 1 105 VAL QG . . 5.410 4.191 2.481 5.443 0.033 18 0 "[ . 1 . 2]" 1
170 1 63 LEU H 1 64 ARG H . . 2.750 2.595 2.483 2.760 0.010 4 0 "[ . 1 . 2]" 1
171 1 63 LEU H 1 65 TYR H . . 3.690 3.941 3.805 4.067 0.377 14 0 "[ . 1 . 2]" 1
172 1 63 LEU QD 1 64 ARG H . . 5.500 3.663 2.743 4.332 . 0 0 "[ . 1 . 2]" 1
173 1 63 LEU QD 1 65 TYR H . . 5.500 4.987 4.364 5.393 . 0 0 "[ . 1 . 2]" 1
174 1 64 ARG H 1 65 TYR H . . 2.750 2.450 2.261 2.614 . 0 0 "[ . 1 . 2]" 1
175 1 65 TYR H 1 66 ARG H . . 2.960 2.864 2.497 3.115 0.155 13 0 "[ . 1 . 2]" 1
176 1 66 ARG H 1 67 ARG H . . 4.530 3.528 2.373 4.687 0.157 18 0 "[ . 1 . 2]" 1
177 1 67 ARG H 1 68 ALA H . . 2.850 2.689 2.527 3.007 0.157 8 0 "[ . 1 . 2]" 1
178 1 68 ALA H 1 69 PHE H . . 3.100 2.760 2.496 3.042 . 0 0 "[ . 1 . 2]" 1
179 1 68 ALA H 1 70 SER H . . 4.360 4.278 3.814 4.539 0.179 14 0 "[ . 1 . 2]" 1
180 1 69 PHE H 1 70 SER H . . 3.270 2.631 2.367 2.908 . 0 0 "[ . 1 . 2]" 1
181 1 69 PHE H 1 72 LEU H . . 4.740 4.795 4.737 4.889 0.149 7 0 "[ . 1 . 2]" 1
182 1 70 SER H 1 71 ASP H . . 3.790 2.721 2.467 3.011 . 0 0 "[ . 1 . 2]" 1
183 1 71 ASP H 1 72 LEU H . . 3.100 2.656 2.449 2.794 . 0 0 "[ . 1 . 2]" 1
184 1 72 LEU H 1 72 LEU QD . . 4.730 3.362 2.526 3.725 . 0 0 "[ . 1 . 2]" 1
185 1 72 LEU H 1 73 THR H . . 2.920 2.782 2.661 2.970 0.050 16 0 "[ . 1 . 2]" 1
186 1 72 LEU H 1 74 SER H . . 3.580 3.822 3.729 3.902 0.322 16 0 "[ . 1 . 2]" 1
187 1 72 LEU QD 1 90 VAL H . . 5.290 5.201 4.780 6.178 0.888 11 1 "[ . 1+ . 2]" 1
188 1 72 LEU QD 1 91 VAL H . . 5.290 5.552 5.366 5.630 0.340 4 0 "[ . 1 . 2]" 1
189 1 72 LEU QD 1 93 GLU H . . 5.290 5.514 4.945 6.129 0.839 11 4 "[ .* -+ * 2]" 1
190 1 72 LEU QD 1 94 LEU H . . 5.290 4.583 4.247 4.921 . 0 0 "[ . 1 . 2]" 1
191 1 72 LEU QD 1 94 LEU MD1 . . 3.560 2.391 1.903 2.972 . 0 0 "[ . 1 . 2]" 1
192 1 72 LEU QD 1 94 LEU QD . . 2.740 2.145 1.690 2.707 . 0 0 "[ . 1 . 2]" 1
193 1 72 LEU QD 1 94 LEU MD2 . . 3.560 2.694 1.777 3.237 . 0 0 "[ . 1 . 2]" 1
194 1 72 LEU QD 1 95 PHE H . . 5.290 6.422 5.574 6.740 1.450 17 19 "[********** ****-+***]" 1
195 1 72 LEU QD 1 110 PHE H . . 5.500 4.007 2.933 5.326 . 0 0 "[ . 1 . 2]" 1
196 1 72 LEU QD 1 111 GLY H . . 5.290 5.090 4.597 6.201 0.911 16 1 "[ . 1 .+ 2]" 1
197 1 72 LEU QD 1 114 LEU H . . 5.780 5.901 5.504 6.063 0.283 8 0 "[ . 1 . 2]" 1
198 1 73 THR H 1 74 SER H . . 3.130 2.586 2.484 2.707 . 0 0 "[ . 1 . 2]" 1
199 1 73 THR H 1 75 GLN H . . 4.000 4.099 4.027 4.229 0.229 14 0 "[ . 1 . 2]" 1
200 1 74 SER H 1 76 LEU H . . 4.290 4.075 3.870 4.385 0.095 13 0 "[ . 1 . 2]" 1
201 1 75 GLN H 1 76 LEU H . . 2.850 2.383 2.200 2.698 . 0 0 "[ . 1 . 2]" 1
202 1 75 GLN H 1 77 HIS H . . 4.320 4.382 4.130 4.484 0.164 2 0 "[ . 1 . 2]" 1
203 1 76 LEU H 1 77 HIS H . . 2.960 2.763 2.037 2.967 0.007 6 0 "[ . 1 . 2]" 1
204 1 76 LEU QD 1 77 HIS H . . 5.500 4.018 3.009 4.640 . 0 0 "[ . 1 . 2]" 1
205 1 77 HIS H 1 78 ILE H . . 4.000 3.654 2.858 4.057 0.057 18 0 "[ . 1 . 2]" 1
206 1 78 ILE H 1 78 ILE MD . . 5.170 4.417 3.563 4.871 . 0 0 "[ . 1 . 2]" 1
207 1 78 ILE H 1 114 LEU QD . . 5.090 3.417 1.928 5.024 . 0 0 "[ . 1 . 2]" 1
208 1 78 ILE MD 1 114 LEU QD . . 2.710 2.007 1.756 2.729 0.019 4 0 "[ . 1 . 2]" 1
209 1 78 ILE MD 1 118 SER H . . 5.940 4.627 3.424 5.597 . 0 0 "[ . 1 . 2]" 1
210 1 78 ILE MD 1 119 VAL H . . 5.500 6.282 5.010 6.689 1.189 15 15 "[ *********** -+** 2]" 1
211 1 78 ILE MD 1 126 LEU MD1 . . 3.620 2.091 1.780 3.027 . 0 0 "[ . 1 . 2]" 1
212 1 78 ILE MD 1 126 LEU MD2 . . 3.620 2.294 1.808 3.722 0.102 13 0 "[ . 1 . 2]" 1
213 1 78 ILE MD 1 127 VAL H . . 5.500 5.150 4.569 5.534 0.034 7 0 "[ . 1 . 2]" 1
214 1 78 ILE MD 1 128 SER H . . 6.990 6.949 6.652 7.180 0.190 8 0 "[ . 1 . 2]" 1
215 1 78 ILE MD 1 129 ARG H . . 6.000 6.520 6.386 6.673 0.673 18 11 "[*-**. * 1 **. *+**]" 1
216 1 78 ILE MD 1 130 ILE MD . . 2.880 2.379 1.828 2.996 0.116 3 0 "[ . 1 . 2]" 1
217 1 84 TYR H 1 85 GLN H . . 3.310 2.879 2.741 3.028 . 0 0 "[ . 1 . 2]" 1
218 1 84 TYR H 1 133 TRP HE1 . . 3.790 3.759 3.482 3.885 0.095 18 0 "[ . 1 . 2]" 1
219 1 85 GLN H 1 86 SER H . . 3.660 2.857 2.619 2.988 . 0 0 "[ . 1 . 2]" 1
220 1 88 GLU H 1 89 GLN H . . 3.100 2.689 2.558 2.813 . 0 0 "[ . 1 . 2]" 1
221 1 88 GLU H 1 90 VAL H . . 4.180 4.360 4.291 4.471 0.291 11 0 "[ . 1 . 2]" 1
222 1 88 GLU H 1 91 VAL H . . 4.670 4.720 4.576 4.857 0.187 10 0 "[ . 1 . 2]" 1
223 1 89 GLN H 1 90 VAL H . . 3.130 2.687 2.596 2.785 . 0 0 "[ . 1 . 2]" 1
224 1 89 GLN H 1 90 VAL QG . . 5.100 3.875 3.453 4.179 . 0 0 "[ . 1 . 2]" 1
225 1 89 GLN H 1 91 VAL H . . 3.830 4.028 3.940 4.093 0.263 10 0 "[ . 1 . 2]" 1
226 1 89 GLN H 1 91 VAL QG . . 5.230 4.808 3.889 5.101 . 0 0 "[ . 1 . 2]" 1
227 1 89 GLN H 1 92 ASN H . . 4.320 4.646 4.568 4.751 0.431 5 0 "[ . 1 . 2]" 1
228 1 90 VAL H 1 91 VAL H . . 3.020 2.649 2.553 2.779 . 0 0 "[ . 1 . 2]" 1
229 1 90 VAL H 1 91 VAL QG . . 5.210 4.130 3.648 4.340 . 0 0 "[ . 1 . 2]" 1
230 1 90 VAL H 1 92 ASN H . . 4.110 4.259 4.120 4.347 0.237 2 0 "[ . 1 . 2]" 1
231 1 90 VAL QG 1 91 VAL QG . . 3.870 2.722 2.048 3.693 . 0 0 "[ . 1 . 2]" 1
232 1 91 VAL H 1 91 VAL QG . . 3.690 2.323 1.911 2.554 . 0 0 "[ . 1 . 2]" 1
233 1 91 VAL H 1 92 ASN H . . 3.060 2.626 2.564 2.668 . 0 0 "[ . 1 . 2]" 1
234 1 91 VAL H 1 93 GLU H . . 3.790 4.006 3.833 4.080 0.290 15 0 "[ . 1 . 2]" 1
235 1 91 VAL QG 1 94 LEU QD . . 3.330 3.506 2.841 3.638 0.308 7 0 "[ . 1 . 2]" 1
236 1 91 VAL QG 1 95 PHE H . . 5.230 4.133 3.798 4.827 . 0 0 "[ . 1 . 2]" 1
237 1 91 VAL MG1 1 93 GLU H . . 5.500 4.988 4.799 5.427 . 0 0 "[ . 1 . 2]" 1
238 1 91 VAL MG2 1 93 GLU H . . 5.500 5.216 4.235 5.477 . 0 0 "[ . 1 . 2]" 1
239 1 92 ASN H 1 93 GLU H . . 2.960 2.687 2.568 2.766 . 0 0 "[ . 1 . 2]" 1
240 1 92 ASN H 1 94 LEU H . . 4.320 4.349 4.215 4.470 0.150 11 0 "[ . 1 . 2]" 1
241 1 93 GLU H 1 94 LEU H . . 2.920 2.642 2.590 2.708 . 0 0 "[ . 1 . 2]" 1
242 1 93 GLU H 1 95 PHE H . . 3.660 3.854 3.720 3.949 0.289 8 0 "[ . 1 . 2]" 1
243 1 94 LEU H 1 94 LEU MD1 . . 5.500 3.033 2.167 4.331 . 0 0 "[ . 1 . 2]" 1
244 1 94 LEU H 1 94 LEU MD2 . . 5.500 3.685 3.146 4.225 . 0 0 "[ . 1 . 2]" 1
245 1 94 LEU H 1 95 PHE H . . 2.880 2.623 2.510 2.745 . 0 0 "[ . 1 . 2]" 1
246 1 94 LEU QD 1 95 PHE H . . 5.270 4.104 3.606 4.313 . 0 0 "[ . 1 . 2]" 1
247 1 94 LEU QD 1 106 ALA H . . 5.170 4.009 3.369 5.565 0.395 10 0 "[ . 1 . 2]" 1
248 1 94 LEU QD 1 107 PHE H . . 4.450 3.588 2.942 4.481 0.031 10 0 "[ . 1 . 2]" 1
249 1 95 PHE H 1 96 ARG H . . 2.750 2.639 2.426 2.772 0.022 10 0 "[ . 1 . 2]" 1
250 1 95 PHE H 1 97 ASP H . . 4.290 4.590 4.229 4.857 0.567 11 2 "[ . 1+ .- 2]" 1
251 1 96 ARG H 1 97 ASP H . . 3.020 2.626 2.446 2.822 . 0 0 "[ . 1 . 2]" 1
252 1 96 ARG H 1 98 GLY H . . 3.520 3.887 3.740 4.086 0.566 11 2 "[ . 1+ -. 2]" 1
253 1 97 ASP H 1 98 GLY H . . 2.540 2.158 1.919 2.564 0.024 17 0 "[ . 1 . 2]" 1
254 1 98 GLY H 1 99 VAL H . . 4.300 4.008 3.812 4.186 . 0 0 "[ . 1 . 2]" 1
255 1 98 GLY H 1 99 VAL QG . . 5.220 4.742 3.110 5.202 . 0 0 "[ . 1 . 2]" 1
256 1 99 VAL H 1 99 VAL QG . . 3.400 2.429 1.980 3.084 . 0 0 "[ . 1 . 2]" 1
257 1 99 VAL H 1 101 TRP H . . 4.390 3.895 3.106 4.431 0.041 19 0 "[ . 1 . 2]" 1
258 1 99 VAL H 1 101 TRP HE1 . . 4.910 3.806 2.667 4.950 0.040 9 0 "[ . 1 . 2]" 1
259 1 99 VAL H 1 102 GLY H . . 3.760 3.470 2.720 3.989 0.229 11 0 "[ . 1 . 2]" 1
260 1 99 VAL H 1 142 LEU QD . . 5.370 6.099 5.044 6.553 1.183 1 16 "[+***.*** **-* * ****]" 1
261 1 99 VAL QG 1 100 ASN H . . 3.470 2.242 1.949 3.010 . 0 0 "[ . 1 . 2]" 1
262 1 99 VAL QG 1 101 TRP HE1 . . 5.500 4.146 3.166 5.165 . 0 0 "[ . 1 . 2]" 1
263 1 99 VAL QG 1 103 ARG H . . 5.220 4.362 3.643 4.711 . 0 0 "[ . 1 . 2]" 1
264 1 99 VAL QG 1 104 ILE H . . 5.220 5.274 4.612 5.599 0.379 14 0 "[ . 1 . 2]" 1
265 1 99 VAL QG 1 104 ILE MD . . 4.000 4.022 3.372 4.310 0.310 14 0 "[ . 1 . 2]" 1
266 1 99 VAL QG 1 142 LEU QD . . 3.140 3.205 2.393 3.521 0.381 6 0 "[ . 1 . 2]" 1
267 1 99 VAL QG 1 145 TRP H . . 5.220 6.465 5.719 7.069 1.849 16 19 "[******** ******+*-**]" 1
268 1 99 VAL QG 1 146 ILE MD . . 4.640 2.985 2.323 3.975 . 0 0 "[ . 1 . 2]" 1
269 1 100 ASN H 1 102 GLY H . . 4.530 3.111 2.641 3.849 . 0 0 "[ . 1 . 2]" 1
270 1 100 ASN H 1 104 ILE MD . . 4.750 4.021 2.140 4.872 0.122 8 0 "[ . 1 . 2]" 1
271 1 100 ASN H 1 142 LEU QD . . 5.370 4.974 2.985 5.807 0.437 10 0 "[ . 1 . 2]" 1
272 1 101 TRP H 1 101 TRP HE1 . . 6.000 4.659 3.977 5.176 . 0 0 "[ . 1 . 2]" 1
273 1 101 TRP H 1 102 GLY H . . 2.880 2.771 2.436 3.001 0.121 15 0 "[ . 1 . 2]" 1
274 1 101 TRP H 1 103 ARG H . . 3.660 4.065 3.919 4.194 0.534 7 3 "[- * + 1 . 2]" 1
275 1 101 TRP H 1 104 ILE H . . 4.810 4.874 4.597 5.005 0.195 14 0 "[ . 1 . 2]" 1
276 1 101 TRP H 1 142 LEU QD . . 6.120 6.341 5.417 6.840 0.720 19 6 "[ .- * * * * +2]" 1
277 1 102 GLY H 1 103 ARG H . . 2.780 1.953 1.755 2.052 . 0 0 "[ . 1 . 2]" 1
278 1 102 GLY H 1 104 ILE H . . 3.660 3.705 3.313 3.987 0.327 14 0 "[ . 1 . 2]" 1
279 1 102 GLY H 1 106 ALA H . . 4.810 5.319 4.916 5.676 0.866 11 9 "[ * *.- * *+ *** 2]" 1
280 1 103 ARG H 1 104 ILE H . . 2.810 2.665 2.552 2.824 0.014 15 0 "[ . 1 . 2]" 1
281 1 103 ARG H 1 104 ILE MD . . 5.500 3.977 3.501 4.547 . 0 0 "[ . 1 . 2]" 1
282 1 103 ARG H 1 105 VAL H . . 3.800 4.135 3.920 4.289 0.489 2 0 "[ . 1 . 2]" 1
283 1 103 ARG H 1 105 VAL QG . . 5.410 4.513 3.788 4.791 . 0 0 "[ . 1 . 2]" 1
284 1 103 ARG H 1 106 ALA H . . 4.500 4.620 4.499 4.763 0.263 11 0 "[ . 1 . 2]" 1
285 1 104 ILE H 1 104 ILE MD . . 4.850 2.367 1.955 2.936 . 0 0 "[ . 1 . 2]" 1
286 1 104 ILE H 1 105 VAL H . . 2.960 2.520 2.418 2.701 . 0 0 "[ . 1 . 2]" 1
287 1 104 ILE H 1 105 VAL QG . . 4.810 3.775 3.402 3.953 . 0 0 "[ . 1 . 2]" 1
288 1 104 ILE H 1 106 ALA H . . 3.830 4.011 3.898 4.186 0.356 11 0 "[ . 1 . 2]" 1
289 1 104 ILE MD 1 105 VAL H . . 5.500 4.058 3.720 4.433 . 0 0 "[ . 1 . 2]" 1
290 1 104 ILE MD 1 138 LEU QD . . 3.750 3.218 2.718 3.744 . 0 0 "[ . 1 . 2]" 1
291 1 104 ILE MD 1 142 LEU MD1 . . 3.380 2.928 1.789 3.565 0.185 9 0 "[ . 1 . 2]" 1
292 1 104 ILE MD 1 142 LEU QD . . 2.400 2.206 1.754 2.560 0.160 20 0 "[ . 1 . 2]" 1
293 1 104 ILE MD 1 142 LEU MD2 . . 3.380 2.593 1.822 3.548 0.168 3 0 "[ . 1 . 2]" 1
294 1 104 ILE MD 1 145 TRP H . . 6.640 6.925 6.072 7.533 0.893 9 9 "[ * . +*****.-* 2]" 1
295 1 104 ILE MD 1 146 ILE H . . 5.500 5.533 4.465 5.974 0.474 16 0 "[ . 1 . 2]" 1
296 1 104 ILE MD 1 146 ILE MD . . 2.980 2.659 1.885 3.064 0.084 16 0 "[ . 1 . 2]" 1
297 1 105 VAL H 1 105 VAL QG . . 3.700 2.024 1.829 2.154 . 0 0 "[ . 1 . 2]" 1
298 1 105 VAL H 1 106 ALA H . . 2.960 2.839 2.672 2.940 . 0 0 "[ . 1 . 2]" 1
299 1 105 VAL H 1 107 PHE H . . 3.870 4.055 3.950 4.185 0.315 13 0 "[ . 1 . 2]" 1
300 1 105 VAL QG 1 109 SER H . . 5.410 4.934 4.280 5.345 . 0 0 "[ . 1 . 2]" 1
301 1 105 VAL MG1 1 106 ALA H . . 4.810 3.519 2.170 3.900 . 0 0 "[ . 1 . 2]" 1
302 1 105 VAL MG2 1 106 ALA H . . 4.810 3.742 2.087 3.986 . 0 0 "[ . 1 . 2]" 1
303 1 106 ALA H 1 107 PHE H . . 2.880 2.481 2.386 2.561 . 0 0 "[ . 1 . 2]" 1
304 1 106 ALA H 1 109 SER H . . 5.160 5.087 4.849 5.334 0.174 1 0 "[ . 1 . 2]" 1
305 1 107 PHE H 1 109 SER H . . 4.080 4.147 3.870 4.253 0.173 16 0 "[ . 1 . 2]" 1
306 1 108 PHE H 1 109 SER H . . 2.990 2.691 2.583 2.782 . 0 0 "[ . 1 . 2]" 1
307 1 108 PHE H 1 110 PHE H . . 4.000 4.198 4.124 4.317 0.317 11 0 "[ . 1 . 2]" 1
308 1 109 SER H 1 110 PHE H . . 3.020 2.544 2.417 2.704 . 0 0 "[ . 1 . 2]" 1
309 1 109 SER H 1 111 GLY H . . 3.970 4.131 3.959 4.281 0.311 14 0 "[ . 1 . 2]" 1
310 1 109 SER H 1 112 GLY H . . 4.880 4.597 4.271 4.802 . 0 0 "[ . 1 . 2]" 1
311 1 110 PHE H 1 111 GLY H . . 2.850 2.630 2.547 2.736 . 0 0 "[ . 1 . 2]" 1
312 1 110 PHE H 1 112 GLY H . . 3.870 4.051 3.969 4.140 0.270 5 0 "[ . 1 . 2]" 1
313 1 110 PHE H 1 113 ALA H . . 4.500 4.706 4.486 4.849 0.349 17 0 "[ . 1 . 2]" 1
314 1 111 GLY H 1 112 GLY H . . 2.850 2.614 2.559 2.675 . 0 0 "[ . 1 . 2]" 1
315 1 111 GLY H 1 113 ALA H . . 3.760 4.188 4.082 4.291 0.531 16 3 "[ . 1 .+- *]" 1
316 1 112 GLY H 1 113 ALA H . . 2.960 2.700 2.619 2.748 . 0 0 "[ . 1 . 2]" 1
317 1 112 GLY H 1 114 LEU H . . 4.740 4.350 4.053 4.532 . 0 0 "[ . 1 . 2]" 1
318 1 113 ALA H 1 114 LEU H . . 2.710 2.710 2.600 2.826 0.116 17 0 "[ . 1 . 2]" 1
319 1 113 ALA H 1 116 VAL QG . . 5.500 4.409 3.876 4.866 . 0 0 "[ . 1 . 2]" 1
320 1 114 LEU H 1 114 LEU MD1 . . 5.500 3.788 2.680 4.338 . 0 0 "[ . 1 . 2]" 1
321 1 114 LEU H 1 114 LEU MD2 . . 5.500 3.734 3.135 4.412 . 0 0 "[ . 1 . 2]" 1
322 1 114 LEU H 1 115 CYS H . . 2.850 2.693 2.562 2.806 . 0 0 "[ . 1 . 2]" 1
323 1 114 LEU H 1 116 VAL QG . . 5.500 4.818 4.013 5.246 . 0 0 "[ . 1 . 2]" 1
324 1 114 LEU H 1 130 ILE MD . . 5.500 4.917 3.861 5.958 0.458 11 0 "[ . 1 . 2]" 1
325 1 114 LEU QD 1 130 ILE MD . . 3.380 2.343 1.764 3.379 . 0 0 "[ . 1 . 2]" 1
326 1 114 LEU MD1 1 115 CYS H . . 5.500 4.447 2.391 5.015 . 0 0 "[ . 1 . 2]" 1
327 1 114 LEU MD2 1 115 CYS H . . 5.500 4.259 2.389 4.881 . 0 0 "[ . 1 . 2]" 1
328 1 115 CYS H 1 116 VAL H . . 2.780 2.682 2.547 2.859 0.079 10 0 "[ . 1 . 2]" 1
329 1 115 CYS H 1 130 ILE MD . . 4.540 3.739 2.980 4.635 0.095 17 0 "[ . 1 . 2]" 1
330 1 116 VAL H 1 117 GLU H . . 2.640 2.683 2.560 2.838 0.198 17 0 "[ . 1 . 2]" 1
331 1 116 VAL H 1 118 SER H . . 3.900 4.130 3.971 4.290 0.390 14 0 "[ . 1 . 2]" 1
332 1 116 VAL H 1 126 LEU QD . . 6.000 6.583 6.235 6.820 0.820 6 15 "[* ***+*-*1****.* **2]" 1
333 1 116 VAL H 1 130 ILE MD . . 5.500 5.484 4.816 6.071 0.571 17 4 "[ *. -*1 . + 2]" 1
334 1 116 VAL QG 1 117 GLU H . . 5.500 2.966 2.164 3.429 . 0 0 "[ . 1 . 2]" 1
335 1 116 VAL QG 1 118 SER H . . 5.500 4.496 4.137 4.751 . 0 0 "[ . 1 . 2]" 1
336 1 116 VAL QG 1 119 VAL H . . 5.500 4.487 4.265 4.784 . 0 0 "[ . 1 . 2]" 1
337 1 117 GLU H 1 118 SER H . . 2.850 2.631 2.530 2.751 . 0 0 "[ . 1 . 2]" 1
338 1 117 GLU H 1 119 VAL H . . 4.000 4.285 4.164 4.437 0.437 13 0 "[ . 1 . 2]" 1
339 1 118 SER H 1 119 VAL H . . 3.170 2.663 2.523 2.773 . 0 0 "[ . 1 . 2]" 1
340 1 118 SER H 1 120 ASP H . . 4.000 4.151 3.981 4.271 0.271 17 0 "[ . 1 . 2]" 1
341 1 118 SER H 1 130 ILE MD . . 5.130 5.038 4.594 5.204 0.074 3 0 "[ . 1 . 2]" 1
342 1 119 VAL H 1 120 ASP H . . 2.920 2.753 2.495 2.884 . 0 0 "[ . 1 . 2]" 1
343 1 119 VAL H 1 121 LYS H . . 3.830 4.075 3.923 4.290 0.460 18 0 "[ . 1 . 2]" 1
344 1 119 VAL H 1 122 GLU H . . 5.110 5.151 4.508 5.445 0.335 4 0 "[ . 1 . 2]" 1
345 1 119 VAL QG 1 122 GLU H . . 5.290 4.269 3.770 4.705 . 0 0 "[ . 1 . 2]" 1
346 1 119 VAL QG 1 127 VAL QG . . 3.120 2.533 1.775 3.314 0.194 17 0 "[ . 1 . 2]" 1
347 1 119 VAL MG1 1 120 ASP H . . 5.340 3.287 2.090 4.068 . 0 0 "[ . 1 . 2]" 1
348 1 119 VAL MG1 1 121 LYS H . . 5.500 4.819 4.151 5.331 . 0 0 "[ . 1 . 2]" 1
349 1 119 VAL MG2 1 120 ASP H . . 5.340 3.621 2.140 4.091 . 0 0 "[ . 1 . 2]" 1
350 1 119 VAL MG2 1 121 LYS H . . 5.500 5.031 4.154 5.347 . 0 0 "[ . 1 . 2]" 1
351 1 120 ASP H 1 121 LYS H . . 2.880 2.604 2.490 2.780 . 0 0 "[ . 1 . 2]" 1
352 1 120 ASP H 1 122 GLU H . . 3.940 4.093 3.898 4.221 0.281 4 0 "[ . 1 . 2]" 1
353 1 121 LYS H 1 122 GLU H . . 2.990 2.544 2.222 2.746 . 0 0 "[ . 1 . 2]" 1
354 1 121 LYS H 1 124 GLN H . . 5.200 5.161 4.380 5.395 0.195 13 0 "[ . 1 . 2]" 1
355 1 122 GLU H 1 124 GLN H . . 4.600 4.196 4.088 4.393 . 0 0 "[ . 1 . 2]" 1
356 1 124 GLN H 1 125 VAL H . . 2.960 2.809 2.519 3.257 0.297 17 0 "[ . 1 . 2]" 1
357 1 124 GLN H 1 125 VAL QG . . 5.300 4.254 3.542 5.281 . 0 0 "[ . 1 . 2]" 1
358 1 124 GLN H 1 126 LEU H . . 4.180 4.345 3.733 4.629 0.449 10 0 "[ . 1 . 2]" 1
359 1 124 GLN H 1 127 VAL QG . . 5.290 4.257 3.740 5.149 . 0 0 "[ . 1 . 2]" 1
360 1 125 VAL H 1 125 VAL MG1 . . 4.110 2.781 1.963 3.974 . 0 0 "[ . 1 . 2]" 1
361 1 125 VAL H 1 125 VAL QG . . 3.560 2.491 1.860 3.356 . 0 0 "[ . 1 . 2]" 1
362 1 125 VAL H 1 125 VAL MG2 . . 4.110 3.394 2.026 4.100 . 0 0 "[ . 1 . 2]" 1
363 1 125 VAL H 1 126 LEU H . . 2.920 2.712 1.769 2.880 . 0 0 "[ . 1 . 2]" 1
364 1 125 VAL H 1 127 VAL H . . 4.390 4.145 3.639 4.770 0.380 12 0 "[ . 1 . 2]" 1
365 1 125 VAL H 1 127 VAL QG . . 5.290 4.248 3.328 4.682 . 0 0 "[ . 1 . 2]" 1
366 1 125 VAL QG 1 126 LEU H . . 3.700 2.883 2.419 3.813 0.113 12 0 "[ . 1 . 2]" 1
367 1 125 VAL QG 1 126 LEU QD . . 3.360 3.869 2.995 4.246 0.886 6 12 "[ * *+* 1**-*.* ***]" 1
368 1 125 VAL MG1 1 126 LEU H . . 4.290 3.262 2.441 4.377 0.087 12 0 "[ . 1 . 2]" 1
369 1 125 VAL MG2 1 126 LEU H . . 4.290 3.873 2.445 4.437 0.147 9 0 "[ . 1 . 2]" 1
370 1 126 LEU H 1 126 LEU QD . . 4.770 2.864 1.993 3.677 . 0 0 "[ . 1 . 2]" 1
371 1 126 LEU H 1 127 VAL H . . 2.850 2.352 2.093 2.953 0.103 9 0 "[ . 1 . 2]" 1
372 1 126 LEU H 1 127 VAL QG . . 4.630 3.542 3.053 4.303 . 0 0 "[ . 1 . 2]" 1
373 1 126 LEU H 1 128 SER H . . 4.080 4.224 3.712 4.633 0.553 19 1 "[ . 1 . +2]" 1
374 1 126 LEU H 1 129 ARG H . . 4.950 4.938 4.356 5.182 0.232 10 0 "[ . 1 . 2]" 1
375 1 126 LEU QD 1 127 VAL H . . 5.260 2.733 2.015 3.595 . 0 0 "[ . 1 . 2]" 1
376 1 126 LEU QD 1 127 VAL QG . . 3.250 2.762 1.974 3.731 0.481 17 0 "[ . 1 . 2]" 1
377 1 126 LEU QD 1 129 ARG H . . 5.260 4.357 3.320 5.247 . 0 0 "[ . 1 . 2]" 1
378 1 126 LEU QD 1 130 ILE MD . . 3.520 2.275 1.894 3.906 0.386 12 0 "[ . 1 . 2]" 1
379 1 127 VAL H 1 127 VAL QG . . 3.620 2.078 1.780 2.899 . 0 0 "[ . 1 . 2]" 1
380 1 127 VAL H 1 128 SER H . . 3.270 2.842 2.701 2.981 . 0 0 "[ . 1 . 2]" 1
381 1 127 VAL H 1 129 ARG H . . 4.040 4.108 4.014 4.243 0.203 17 0 "[ . 1 . 2]" 1
382 1 127 VAL QG 1 130 ILE MD . . 3.140 2.701 2.248 3.240 0.100 12 0 "[ . 1 . 2]" 1
383 1 127 VAL QG 1 131 ALA H . . 5.290 3.955 3.622 4.605 . 0 0 "[ . 1 . 2]" 1
384 1 127 VAL MG1 1 128 SER H . . 5.340 3.349 2.050 4.121 . 0 0 "[ . 1 . 2]" 1
385 1 127 VAL MG2 1 128 SER H . . 5.340 3.549 1.848 4.193 . 0 0 "[ . 1 . 2]" 1
386 1 128 SER H 1 129 ARG H . . 3.100 2.661 2.562 2.787 . 0 0 "[ . 1 . 2]" 1
387 1 128 SER H 1 130 ILE H . . 4.000 4.427 4.295 4.529 0.529 19 5 "[* . 1 * -* +2]" 1
388 1 128 SER H 1 131 ALA H . . 4.810 4.776 4.710 4.900 0.090 16 0 "[ . 1 . 2]" 1
389 1 129 ARG H 1 130 ILE H . . 2.810 2.540 2.451 2.646 . 0 0 "[ . 1 . 2]" 1
390 1 129 ARG H 1 130 ILE MD . . 5.500 4.900 3.936 5.193 . 0 0 "[ . 1 . 2]" 1
391 1 129 ARG H 1 131 ALA H . . 3.830 3.886 3.767 4.011 0.181 17 0 "[ . 1 . 2]" 1
392 1 129 ARG H 1 132 ALA H . . 4.990 4.544 4.440 4.694 . 0 0 "[ . 1 . 2]" 1
393 1 130 ILE H 1 130 ILE MD . . 4.540 3.510 2.703 3.788 . 0 0 "[ . 1 . 2]" 1
394 1 130 ILE H 1 131 ALA H . . 3.130 2.696 2.559 2.787 . 0 0 "[ . 1 . 2]" 1
395 1 130 ILE H 1 132 ALA H . . 4.320 4.209 4.011 4.417 0.097 5 0 "[ . 1 . 2]" 1
396 1 130 ILE H 1 133 TRP H . . 5.120 4.678 4.587 4.826 . 0 0 "[ . 1 . 2]" 1
397 1 130 ILE MD 1 131 ALA H . . 5.500 3.820 3.188 4.448 . 0 0 "[ . 1 . 2]" 1
398 1 131 ALA H 1 132 ALA H . . 3.130 2.701 2.633 2.762 . 0 0 "[ . 1 . 2]" 1
399 1 131 ALA H 1 133 TRP H . . 4.210 4.215 4.111 4.348 0.138 9 0 "[ . 1 . 2]" 1
400 1 131 ALA H 1 134 MET H . . 4.990 4.738 4.603 4.856 . 0 0 "[ . 1 . 2]" 1
401 1 132 ALA H 1 133 TRP H . . 2.990 2.646 2.578 2.798 . 0 0 "[ . 1 . 2]" 1
402 1 132 ALA H 1 134 MET H . . 3.940 4.166 4.073 4.264 0.324 14 0 "[ . 1 . 2]" 1
403 1 133 TRP H 1 133 TRP HE1 . . 6.500 6.687 5.437 7.115 0.615 4 10 "[** +*** 1 * * -*2]" 1
404 1 133 TRP H 1 135 ALA H . . 4.180 4.254 4.088 4.359 0.179 10 0 "[ . 1 . 2]" 1
405 1 133 TRP H 1 136 THR H . . 4.880 4.649 4.607 4.732 . 0 0 "[ . 1 . 2]" 1
406 1 134 MET H 1 135 ALA H . . 2.990 2.717 2.632 2.779 . 0 0 "[ . 1 . 2]" 1
407 1 134 MET H 1 136 THR H . . 3.690 4.001 3.870 4.110 0.420 10 0 "[ . 1 . 2]" 1
408 1 135 ALA H 1 136 THR H . . 3.020 2.687 2.601 2.836 . 0 0 "[ . 1 . 2]" 1
409 1 135 ALA H 1 137 TYR H . . 4.630 4.771 4.678 4.926 0.296 16 0 "[ . 1 . 2]" 1
410 1 135 ALA H 1 138 LEU H . . 4.740 4.808 4.757 4.841 0.101 7 0 "[ . 1 . 2]" 1
411 1 136 THR H 1 137 TYR H . . 3.380 2.866 2.797 2.934 . 0 0 "[ . 1 . 2]" 1
412 1 136 THR H 1 138 LEU H . . 3.730 3.847 3.759 3.928 0.198 7 0 "[ . 1 . 2]" 1
413 1 137 TYR H 1 138 LEU H . . 3.020 2.717 2.575 2.845 . 0 0 "[ . 1 . 2]" 1
414 1 138 LEU H 1 138 LEU QD . . 4.770 3.669 2.727 3.744 . 0 0 "[ . 1 . 2]" 1
415 1 138 LEU H 1 139 ASN H . . 3.060 3.031 2.958 3.090 0.030 10 0 "[ . 1 . 2]" 1
416 1 138 LEU H 1 140 ASP H . . 4.500 3.785 3.739 3.829 . 0 0 "[ . 1 . 2]" 1
417 1 138 LEU H 1 142 LEU QD . . 5.370 4.609 4.213 5.597 0.227 3 0 "[ . 1 . 2]" 1
418 1 138 LEU QD 1 139 ASN H . . 5.500 2.469 2.251 3.717 . 0 0 "[ . 1 . 2]" 1
419 1 138 LEU QD 1 142 LEU H . . 5.500 4.748 4.388 4.875 . 0 0 "[ . 1 . 2]" 1
420 1 138 LEU QD 1 142 LEU QD . . 3.150 2.376 1.833 3.274 0.124 8 0 "[ . 1 . 2]" 1
421 1 138 LEU QD 1 143 GLU H . . 5.500 3.958 3.454 4.230 . 0 0 "[ . 1 . 2]" 1
422 1 138 LEU QD 1 146 ILE MD . . 4.500 4.785 4.190 4.958 0.458 3 0 "[ . 1 . 2]" 1
423 1 138 LEU QD 1 152 TRP HE1 . . 5.310 5.283 4.702 5.548 0.238 14 0 "[ . 1 . 2]" 1
424 1 139 ASN H 1 140 ASP H . . 3.130 2.806 2.700 2.884 . 0 0 "[ . 1 . 2]" 1
425 1 139 ASN H 1 141 HIS H . . 4.110 5.143 5.078 5.205 1.095 6 20 [*****+**********-***] 1
426 1 139 ASN H 1 142 LEU H . . 5.230 5.145 5.064 5.211 . 0 0 "[ . 1 . 2]" 1
427 1 139 ASN H 1 143 GLU H . . 5.540 4.794 4.588 4.966 . 0 0 "[ . 1 . 2]" 1
428 1 140 ASP H 1 141 HIS H . . 3.060 3.056 2.988 3.126 0.066 10 0 "[ . 1 . 2]" 1
429 1 140 ASP H 1 142 LEU H . . 3.660 4.022 3.953 4.128 0.468 17 0 "[ . 1 . 2]" 1
430 1 140 ASP H 1 143 GLU H . . 4.110 4.458 4.378 4.528 0.418 17 0 "[ . 1 . 2]" 1
431 1 141 HIS H 1 142 LEU H . . 3.020 1.871 1.795 1.923 . 0 0 "[ . 1 . 2]" 1
432 1 141 HIS H 1 142 LEU MD1 . . 5.500 5.383 4.772 5.825 0.325 3 0 "[ . 1 . 2]" 1
433 1 141 HIS H 1 142 LEU MD2 . . 5.500 5.567 4.846 5.898 0.398 7 0 "[ . 1 . 2]" 1
434 1 141 HIS H 1 143 GLU H . . 3.520 3.553 3.479 3.695 0.175 16 0 "[ . 1 . 2]" 1
435 1 142 LEU H 1 142 LEU MD1 . . 5.500 4.031 3.580 4.282 . 0 0 "[ . 1 . 2]" 1
436 1 142 LEU H 1 142 LEU MD2 . . 5.500 4.116 3.474 4.389 . 0 0 "[ . 1 . 2]" 1
437 1 142 LEU H 1 143 GLU H . . 2.880 2.591 2.513 2.655 . 0 0 "[ . 1 . 2]" 1
438 1 142 LEU H 1 145 TRP H . . 5.200 4.724 4.591 4.789 . 0 0 "[ . 1 . 2]" 1
439 1 142 LEU QD 1 145 TRP H . . 5.370 4.545 4.177 4.915 . 0 0 "[ . 1 . 2]" 1
440 1 142 LEU QD 1 146 ILE MD . . 3.810 2.316 1.922 3.277 . 0 0 "[ . 1 . 2]" 1
441 1 142 LEU MD1 1 143 GLU H . . 5.500 4.676 3.642 5.009 . 0 0 "[ . 1 . 2]" 1
442 1 142 LEU MD2 1 143 GLU H . . 5.500 4.484 4.020 4.933 . 0 0 "[ . 1 . 2]" 1
443 1 143 GLU H 1 145 TRP H . . 4.570 3.781 3.692 3.830 . 0 0 "[ . 1 . 2]" 1
444 1 143 GLU H 1 146 ILE MD . . 5.410 5.077 4.884 5.776 0.366 12 0 "[ . 1 . 2]" 1
445 1 145 TRP H 1 145 TRP HE1 . . 6.000 5.601 5.334 5.942 . 0 0 "[ . 1 . 2]" 1
446 1 145 TRP H 1 146 ILE H . . 2.850 2.964 2.916 3.035 0.185 9 0 "[ . 1 . 2]" 1
447 1 145 TRP H 1 146 ILE MD . . 5.500 4.115 3.835 5.353 . 0 0 "[ . 1 . 2]" 1
448 1 145 TRP H 1 147 GLN H . . 3.840 3.981 3.903 4.021 0.181 13 0 "[ . 1 . 2]" 1
449 1 145 TRP H 1 148 GLU H . . 5.000 4.397 4.283 4.497 . 0 0 "[ . 1 . 2]" 1
450 1 146 ILE H 1 146 ILE MD . . 4.920 2.080 1.940 3.186 . 0 0 "[ . 1 . 2]" 1
451 1 146 ILE H 1 147 GLN H . . 2.800 1.794 1.752 1.841 . 0 0 "[ . 1 . 2]" 1
452 1 146 ILE H 1 148 GLU H . . 4.500 3.280 3.180 3.388 . 0 0 "[ . 1 . 2]" 1
453 1 146 ILE MD 1 147 GLN H . . 5.500 1.962 1.847 2.618 . 0 0 "[ . 1 . 2]" 1
454 1 146 ILE MD 1 152 TRP H . . 5.500 6.366 5.613 7.191 1.691 3 18 "[**+***** -* ********]" 1
455 1 147 GLN H 1 148 GLU H . . 3.200 2.576 2.504 2.656 . 0 0 "[ . 1 . 2]" 1
456 1 148 GLU H 1 149 ASN H . . 2.960 3.304 3.191 3.380 0.420 7 0 "[ . 1 . 2]" 1
457 1 148 GLU H 1 150 GLY H . . 4.000 3.984 3.896 4.051 0.051 7 0 "[ . 1 . 2]" 1
458 1 148 GLU H 1 151 GLY H . . 4.530 4.413 4.283 4.528 . 0 0 "[ . 1 . 2]" 1
459 1 149 ASN H 1 150 GLY H . . 2.990 2.049 1.979 2.266 . 0 0 "[ . 1 . 2]" 1
460 1 149 ASN H 1 151 GLY H . . 3.480 3.693 3.604 3.863 0.383 5 0 "[ . 1 . 2]" 1
461 1 150 GLY H 1 151 GLY H . . 2.710 2.556 2.454 2.639 . 0 0 "[ . 1 . 2]" 1
462 1 151 GLY H 1 152 TRP H . . 4.360 2.484 2.234 2.930 . 0 0 "[ . 1 . 2]" 1
463 1 151 GLY H 1 154 THR H . . 4.600 3.434 3.330 3.625 . 0 0 "[ . 1 . 2]" 1
464 1 152 TRP H 1 152 TRP HE1 . . 5.340 4.941 4.524 5.329 . 0 0 "[ . 1 . 2]" 1
465 1 152 TRP H 1 153 ASP H . . 2.780 2.768 2.596 2.845 0.065 8 0 "[ . 1 . 2]" 1
466 1 152 TRP H 1 154 THR H . . 3.870 3.957 3.804 4.091 0.221 20 0 "[ . 1 . 2]" 1
467 1 152 TRP H 1 155 PHE H . . 4.920 4.617 4.539 4.721 . 0 0 "[ . 1 . 2]" 1
468 1 153 ASP H 1 154 THR H . . 2.850 2.613 2.502 2.803 . 0 0 "[ . 1 . 2]" 1
469 1 153 ASP H 1 155 PHE H . . 3.830 4.223 4.160 4.318 0.488 17 0 "[ . 1 . 2]" 1
470 1 153 ASP H 1 156 VAL H . . 5.000 4.868 4.790 4.995 . 0 0 "[ . 1 . 2]" 1
471 1 153 ASP H 1 156 VAL QG . . 5.330 4.662 3.856 4.769 . 0 0 "[ . 1 . 2]" 1
472 1 154 THR H 1 155 PHE H . . 2.750 2.574 2.461 2.717 . 0 0 "[ . 1 . 2]" 1
473 1 154 THR H 1 156 VAL H . . 3.790 4.137 4.062 4.254 0.464 11 0 "[ . 1 . 2]" 1
474 1 155 PHE H 1 156 VAL H . . 2.920 2.604 2.534 2.693 . 0 0 "[ . 1 . 2]" 1
475 1 155 PHE H 1 156 VAL QG . . 4.610 4.073 3.504 4.212 . 0 0 "[ . 1 . 2]" 1
476 1 155 PHE H 1 157 GLU H . . 3.660 4.008 3.887 4.166 0.506 5 1 "[ + 1 . 2]" 1
477 1 156 VAL H 1 157 GLU H . . 2.960 2.629 2.567 2.726 . 0 0 "[ . 1 . 2]" 1
478 1 156 VAL H 1 158 LEU H . . 3.870 4.213 3.897 4.484 0.614 4 8 "[** +. * * -** 2]" 1
479 1 156 VAL H 1 159 TYR H . . 4.710 4.761 4.601 4.960 0.250 12 0 "[ . 1 . 2]" 1
480 1 156 VAL MG1 1 157 GLU H . . 4.920 3.611 3.415 3.967 . 0 0 "[ . 1 . 2]" 1
481 1 156 VAL MG2 1 157 GLU H . . 4.920 3.887 2.060 4.067 . 0 0 "[ . 1 . 2]" 1
482 1 157 GLU H 1 158 LEU H . . 3.060 2.704 2.573 2.823 . 0 0 "[ . 1 . 2]" 1
483 1 157 GLU H 1 159 TYR H . . 4.180 4.074 3.676 4.429 0.249 8 0 "[ . 1 . 2]" 1
484 1 157 GLU H 1 160 GLY H . . 5.300 4.884 4.552 5.144 . 0 0 "[ . 1 . 2]" 1
485 1 158 LEU H 1 158 LEU QD . . 4.700 3.347 2.358 3.786 . 0 0 "[ . 1 . 2]" 1
486 1 158 LEU H 1 159 TYR H . . 3.130 2.610 2.561 2.685 . 0 0 "[ . 1 . 2]" 1
487 1 158 LEU H 1 160 GLY H . . 3.760 3.855 3.679 3.962 0.202 3 0 "[ . 1 . 2]" 1
488 1 158 LEU H 1 161 ASN H . . 5.020 4.886 3.869 5.170 0.150 5 0 "[ . 1 . 2]" 1
489 1 158 LEU QD 1 160 GLY H . . 5.120 4.753 3.763 5.351 0.231 13 0 "[ . 1 . 2]" 1
490 1 158 LEU MD1 1 159 TYR H . . 5.500 4.639 3.385 5.425 . 0 0 "[ . 1 . 2]" 1
491 1 158 LEU MD2 1 159 TYR H . . 5.500 4.368 2.938 5.468 . 0 0 "[ . 1 . 2]" 1
492 1 159 TYR H 1 160 GLY H . . 2.810 2.571 1.810 2.729 . 0 0 "[ . 1 . 2]" 1
493 1 159 TYR H 1 161 ASN H . . 4.810 4.167 3.266 4.564 . 0 0 "[ . 1 . 2]" 1
494 1 162 ASN H 1 163 ALA H . . 3.970 3.613 1.952 4.094 0.124 3 0 "[ . 1 . 2]" 1
495 1 163 ALA H 1 164 ALA H . . 2.570 2.460 2.223 2.678 0.108 20 0 "[ . 1 . 2]" 1
496 1 163 ALA H 1 166 GLU H . . 4.250 4.338 4.068 4.462 0.212 1 0 "[ . 1 . 2]" 1
497 1 164 ALA H 1 165 ALA H . . 3.170 2.601 2.162 2.860 . 0 0 "[ . 1 . 2]" 1
498 1 164 ALA H 1 166 GLU H . . 4.000 4.035 3.520 4.173 0.173 13 0 "[ . 1 . 2]" 1
499 1 165 ALA H 1 166 GLU H . . 3.480 2.561 2.211 2.924 . 0 0 "[ . 1 . 2]" 1
500 1 166 GLU H 1 167 SER H . . 4.000 2.673 2.495 2.858 . 0 0 "[ . 1 . 2]" 1
stop_
save_