NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532752 |
2kt4   |
16682 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt4
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 1099
_Distance_constraint_stats_list.Viol_count 1280
_Distance_constraint_stats_list.Viol_total 6557.446
_Distance_constraint_stats_list.Viol_max 2.168
_Distance_constraint_stats_list.Viol_rms 0.0932
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.2562
_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 10 ALA 2.666 0.388 3 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 1.986 0.388 3 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 1.672 0.372 4 0 "[ . 1 . 2]"
1 16 VAL 2.040 0.687 19 1 "[ . 1 . +2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 11.730 0.833 19 8 "[ *. * 1- * **+*]"
1 19 ALA 8.854 0.666 17 7 "[ *. * 1- * +* *]"
1 20 SER 0.297 0.243 19 0 "[ . 1 . 2]"
1 21 ASN 2.673 0.480 18 0 "[ . 1 . 2]"
1 22 THR 0.116 0.108 15 0 "[ . 1 . 2]"
1 23 GLU 5.081 1.005 13 4 "[ . - + * *2]"
1 24 PHE 0.581 0.158 13 0 "[ . 1 . 2]"
1 25 PHE 0.053 0.053 13 0 "[ . 1 . 2]"
1 26 LEU 15.865 1.506 10 12 "[ *-**** *+** . * *2]"
1 27 ARG 0.123 0.064 9 0 "[ . 1 . 2]"
1 28 GLU 11.810 1.710 18 9 "[ *. 1** *- *+**]"
1 29 LYS 3.128 0.651 12 3 "[ . 1 + *. - 2]"
1 30 ASP 9.697 1.282 14 7 "[ *. 1 *-+. ***2]"
1 31 LYS 16.484 1.004 14 9 "[* *** 1 *+* * -2]"
1 32 MET 38.102 1.710 18 13 "[* *** 1***** *+-*]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 3.779 1.197 16 1 "[ . 1 .+ 2]"
1 35 ALA 2.404 0.272 16 0 "[ . 1 . 2]"
1 36 MET 4.140 0.181 12 0 "[ . 1 . 2]"
1 37 ALA 0.371 0.082 9 0 "[ . 1 . 2]"
1 38 ARG 0.069 0.069 5 0 "[ . 1 . 2]"
1 39 ILE 4.563 0.346 20 0 "[ . 1 . 2]"
1 40 SER 3.779 0.346 20 0 "[ . 1 . 2]"
1 41 PHE 0.316 0.236 16 0 "[ . 1 . 2]"
1 42 LEU 4.087 0.446 18 0 "[ . 1 . 2]"
1 43 GLY 3.855 0.446 18 0 "[ . 1 . 2]"
1 44 GLU 0.391 0.273 20 0 "[ . 1 . 2]"
1 45 ASP 13.925 0.937 19 2 "[ . 1 . - +2]"
1 46 GLU 5.284 0.442 16 0 "[ . 1 . 2]"
1 47 LEU 0.057 0.057 16 0 "[ . 1 . 2]"
1 48 LYS 0.547 0.310 18 0 "[ . 1 . 2]"
1 49 VAL 0.069 0.069 5 0 "[ . 1 . 2]"
1 50 SER 0.220 0.220 13 0 "[ . 1 . 2]"
1 51 TYR 3.610 0.836 6 2 "[ .+ 1 . - 2]"
1 52 ALA 0.005 0.005 16 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.071 0.052 15 0 "[ . 1 . 2]"
1 58 GLY 0.071 0.052 15 0 "[ . 1 . 2]"
1 59 CYS 0.072 0.072 20 0 "[ . 1 . 2]"
1 60 ARG 0.279 0.068 18 0 "[ . 1 . 2]"
1 61 LYS 0.323 0.068 18 0 "[ . 1 . 2]"
1 62 TRP 4.370 0.836 6 2 "[ .+ 1 . - 2]"
1 63 GLU 0.229 0.220 13 0 "[ . 1 . 2]"
1 64 THR 14.278 1.555 3 6 "[ + .* 1* .*- *2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 1.320 0.160 19 0 "[ . 1 . 2]"
1 67 LYS 1.966 0.509 19 1 "[ . 1 . +2]"
1 68 LYS 8.792 0.937 19 2 "[ . 1 . - +2]"
1 69 THR 0.039 0.039 19 0 "[ . 1 . 2]"
1 70 SER 11.401 1.323 7 13 "[******+***** .- 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 3.573 0.658 14 1 "[ . 1 +. 2]"
1 73 GLY 8.798 0.740 14 1 "[ . 1 +. 2]"
1 74 GLU 12.947 0.740 14 1 "[ . 1 +. 2]"
1 75 VAL 14.535 1.323 7 13 "[******+***** .- 2]"
1 76 TYR 6.188 0.853 14 5 "[ . **1 +. * -2]"
1 77 TYR 0.921 0.212 19 0 "[ . 1 . 2]"
1 78 SER 0.532 0.224 19 0 "[ . 1 . 2]"
1 79 GLU 8.187 1.555 3 6 "[ + .* 1- .** *2]"
1 80 GLU 1.503 0.761 19 1 "[ . 1 . +2]"
1 81 ALA 2.139 0.937 19 1 "[ . 1 . +2]"
1 82 LYS 0.683 0.197 12 0 "[ . 1 . 2]"
1 83 LYS 2.768 1.094 19 2 "[ . 1 . - +2]"
1 84 LYS 19.784 1.295 15 19 "[**************+*-* *]"
1 85 VAL 4.873 1.122 10 1 "[ . + . 2]"
1 86 GLU 6.488 0.853 14 4 "[ . *-1 +. * 2]"
1 87 VAL 0.717 0.362 15 0 "[ . 1 . 2]"
1 88 LEU 0.545 0.191 5 0 "[ . 1 . 2]"
1 89 ASP 3.556 0.716 20 2 "[ . 1 . - +]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.988 0.123 19 0 "[ . 1 . 2]"
1 92 TYR 0.988 0.123 19 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 1.190 0.186 5 0 "[ . 1 . 2]"
1 96 ALA 4.606 0.394 12 0 "[ . 1 . 2]"
1 97 VAL 15.240 2.168 10 9 "[ * .*** + - . ***]"
1 98 ILE 0.121 0.098 19 0 "[ . 1 . 2]"
1 99 TYR 3.588 1.122 10 1 "[ . + . 2]"
1 100 ALA 0.300 0.300 7 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.084 0.080 19 0 "[ . 1 . 2]"
1 103 VAL 16.544 1.295 15 19 "[**************+*-* *]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.936 0.229 5 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.936 0.229 5 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 11.158 0.517 20 1 "[ . 1 . +]"
1 110 HIS 22.652 1.658 2 11 "[ + *** * * * .* **-]"
1 111 MET 11.806 1.658 2 10 "[ + *-* * * * .* **2]"
1 112 MET 20.538 2.168 10 7 "[ * .*** + - . *2]"
1 113 ARG 0.017 0.017 8 0 "[ . 1 . 2]"
1 114 LEU 0.661 0.189 15 0 "[ . 1 . 2]"
1 115 TYR 3.255 0.394 12 0 "[ . 1 . 2]"
1 116 SER 0.861 0.315 17 0 "[ . 1 . 2]"
1 117 ARG 1.952 0.347 20 0 "[ . 1 . 2]"
1 118 SER 20.297 0.747 10 1 "[ . + . 2]"
1 119 PRO 15.231 0.416 2 0 "[ . 1 . 2]"
1 120 GLU 19.278 0.747 10 3 "[ -* . + . 2]"
1 121 VAL 6.866 0.571 3 2 "[ -+ . 1 . 2]"
1 122 SER 1.039 0.094 18 0 "[ . 1 . 2]"
1 124 ALA 3.265 0.228 13 0 "[ . 1 . 2]"
1 125 ALA 3.265 0.228 13 0 "[ . 1 . 2]"
1 126 THR 0.512 0.189 15 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 PHE 0.033 0.018 13 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 6.107 2.070 19 4 "[ . * * - . +2]"
1 133 ALA 1.322 0.533 19 1 "[ . 1 . +2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 1.115 0.181 19 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 THR 0.853 0.554 8 1 "[ . + 1 . 2]"
1 140 ASP 6.190 0.766 20 4 "[ . * 1 - * +]"
1 141 GLU 13.682 1.506 10 12 "[ *-**** *+** . * *2]"
1 142 MET 7.454 1.005 13 4 "[ . - + * *2]"
1 143 VAL 10.379 0.766 20 3 "[ . 1 - * +]"
1 144 ALA 1.938 0.833 19 1 "[ . 1 . +2]"
1 145 MET 2.791 0.324 7 0 "[ . 1 . 2]"
1 146 LEU 5.831 0.982 13 3 "[ . 1 + * -2]"
1 147 PRO 0.161 0.161 19 0 "[ . 1 . 2]"
1 148 ARG 0.161 0.161 19 0 "[ . 1 . 2]"
1 149 GLN 0.724 0.323 18 0 "[ . 1 . 2]"
1 150 GLU 9.100 1.660 2 4 "[ + . * 1 - . *]"
1 151 GLU 3.899 1.197 16 1 "[ . 1 .+ 2]"
1 152 CYS 6.613 0.405 11 0 "[ . 1 . 2]"
1 153 THR 14.787 1.660 2 5 "[ + . * 1 * .- *]"
1 154 VAL 16.136 0.791 13 20 [******-*****+*******]
1 155 ASP 18.675 0.791 13 20 [************+****-**]
1 156 GLU 0.363 0.087 10 0 "[ . 1 . 2]"
1 157 VAL 4.389 0.506 18 1 "[ . 1 . + 2]"
2 1 EB4 4.442 0.372 4 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 10 ALA H 1 11 GLY H 5.000 . 5.000 4.413 4.340 4.503 . 0 0 "[ . 1 . 2]" 1
2 1 10 ALA HA 1 39 ILE H 5.500 . 5.500 5.412 5.167 5.740 0.240 17 0 "[ . 1 . 2]" 1
3 1 10 ALA HA 1 11 GLY H 3.500 . 3.500 2.740 2.605 2.858 . 0 0 "[ . 1 . 2]" 1
4 1 12 LYS HA 1 38 ARG HA 5.500 . 5.500 2.025 1.751 2.193 . 0 0 "[ . 1 . 2]" 1
5 1 13 TRP H 1 38 ARG HA 5.000 . 5.000 2.833 2.527 3.018 . 0 0 "[ . 1 . 2]" 1
6 1 12 LYS HA 1 13 TRP H 2.500 . 2.500 2.292 2.255 2.321 . 0 0 "[ . 1 . 2]" 1
7 1 13 TRP HB3 1 14 TYR H 3.500 . 3.500 3.078 2.902 3.271 . 0 0 "[ . 1 . 2]" 1
8 1 13 TRP HE1 1 39 ILE H 5.500 . 5.500 4.200 3.290 5.552 0.052 19 0 "[ . 1 . 2]" 1
9 1 13 TRP HA 1 14 TYR H 2.500 . 2.500 2.309 2.205 2.376 . 0 0 "[ . 1 . 2]" 1
10 1 14 TYR H 1 117 ARG HA 5.500 . 5.500 4.247 3.221 4.578 . 0 0 "[ . 1 . 2]" 1
11 1 14 TYR H 1 116 SER H 4.500 . 4.500 3.054 2.617 3.818 . 0 0 "[ . 1 . 2]" 1
12 1 14 TYR H 1 115 TYR HA 5.500 . 5.500 4.512 4.240 5.117 . 0 0 "[ . 1 . 2]" 1
13 1 14 TYR H 1 15 VAL H 5.500 . 5.500 4.508 4.433 4.636 . 0 0 "[ . 1 . 2]" 1
14 1 16 VAL H 1 115 TYR HA 5.500 . 5.500 2.535 2.014 3.145 . 0 0 "[ . 1 . 2]" 1
15 1 16 VAL H 1 116 SER H 5.500 . 5.500 3.743 3.378 4.277 . 0 0 "[ . 1 . 2]" 1
16 1 16 VAL HB 1 17 ALA H 5.000 . 5.000 4.405 4.063 4.493 . 0 0 "[ . 1 . 2]" 1
17 1 16 VAL H 1 17 ALA H 3.500 . 3.500 2.233 2.091 2.361 . 0 0 "[ . 1 . 2]" 1
18 1 16 VAL HA 1 17 ALA H 4.500 . 4.500 3.326 3.236 3.574 . 0 0 "[ . 1 . 2]" 1
19 1 17 ALA H 1 114 LEU H 4.500 . 4.500 2.955 2.426 3.220 . 0 0 "[ . 1 . 2]" 1
20 1 17 ALA H 1 115 TYR HA 5.500 . 5.500 4.119 3.755 4.517 . 0 0 "[ . 1 . 2]" 1
21 1 17 ALA H 1 114 LEU HA 5.500 . 5.500 5.061 4.258 5.253 . 0 0 "[ . 1 . 2]" 1
22 1 17 ALA HA 1 18 LEU H 2.500 . 2.500 2.355 2.268 2.443 . 0 0 "[ . 1 . 2]" 1
23 1 18 LEU H 1 144 ALA H 5.500 . 5.500 2.700 2.513 3.026 . 0 0 "[ . 1 . 2]" 1
24 1 18 LEU HG 1 19 ALA H 4.500 . 4.500 4.897 3.584 5.166 0.666 17 7 "[ *. * 1- * +* *]" 1
25 1 18 LEU H 1 114 LEU H 5.500 . 5.500 4.623 4.195 5.075 . 0 0 "[ . 1 . 2]" 1
26 1 19 ALA H 1 20 SER H 5.000 . 5.000 4.261 4.190 4.360 . 0 0 "[ . 1 . 2]" 1
27 1 18 LEU HA 1 19 ALA H 2.500 . 2.500 2.318 2.167 2.502 0.002 19 0 "[ . 1 . 2]" 1
28 1 19 ALA H 1 112 MET H 4.500 . 4.500 3.038 2.222 3.416 . 0 0 "[ . 1 . 2]" 1
29 1 18 LEU HB2 1 19 ALA H 5.500 . 5.500 4.043 3.913 4.652 . 0 0 "[ . 1 . 2]" 1
30 1 19 ALA H 1 113 ARG HA 5.500 . 5.500 3.665 3.391 4.114 . 0 0 "[ . 1 . 2]" 1
31 1 19 ALA HA 1 20 SER H 2.500 . 2.500 2.267 2.017 2.322 . 0 0 "[ . 1 . 2]" 1
32 1 20 SER H 1 144 ALA H 5.500 . 5.500 5.209 4.447 5.554 0.054 20 0 "[ . 1 . 2]" 1
33 1 20 SER H 1 143 VAL HA 4.500 . 4.500 3.653 3.476 3.859 . 0 0 "[ . 1 . 2]" 1
34 1 20 SER H 1 142 MET HA 5.500 . 5.500 3.523 3.214 3.754 . 0 0 "[ . 1 . 2]" 1
35 1 20 SER HA 1 21 ASN H 2.500 . 2.500 2.333 2.214 2.743 0.243 19 0 "[ . 1 . 2]" 1
36 1 21 ASN H 1 22 THR H 3.500 . 3.500 2.351 2.054 2.898 . 0 0 "[ . 1 . 2]" 1
37 1 21 ASN HA 1 22 THR H 4.500 . 4.500 3.433 2.917 3.597 . 0 0 "[ . 1 . 2]" 1
38 1 20 SER HA 1 22 THR H 5.500 . 5.500 3.923 3.741 4.792 . 0 0 "[ . 1 . 2]" 1
39 1 22 THR H 1 23 GLU H 5.500 . 5.500 4.611 4.463 4.849 . 0 0 "[ . 1 . 2]" 1
40 1 22 THR H 1 25 PHE H 5.500 . 5.500 4.383 3.868 4.851 . 0 0 "[ . 1 . 2]" 1
41 1 22 THR H 1 26 LEU H 5.500 . 5.500 4.406 3.852 4.706 . 0 0 "[ . 1 . 2]" 1
42 1 23 GLU H 1 24 PHE H 4.500 . 4.500 2.942 2.647 3.086 . 0 0 "[ . 1 . 2]" 1
43 1 22 THR HA 1 23 GLU H 3.500 . 3.500 2.235 2.152 2.399 . 0 0 "[ . 1 . 2]" 1
44 1 23 GLU HA 1 25 PHE H 5.000 . 5.000 4.674 3.887 4.963 . 0 0 "[ . 1 . 2]" 1
45 1 24 PHE H 1 25 PHE H 4.500 . 4.500 2.965 2.665 3.061 . 0 0 "[ . 1 . 2]" 1
46 1 24 PHE H 1 24 PHE HB2 4.000 . 4.000 2.444 2.330 2.599 . 0 0 "[ . 1 . 2]" 1
47 1 24 PHE H 1 24 PHE HB3 4.000 . 4.000 3.551 3.532 3.642 . 0 0 "[ . 1 . 2]" 1
48 1 24 PHE HA 1 25 PHE H 5.000 . 5.000 3.653 3.348 3.694 . 0 0 "[ . 1 . 2]" 1
49 1 25 PHE H 1 26 LEU H 4.000 . 4.000 2.838 2.661 2.946 . 0 0 "[ . 1 . 2]" 1
50 1 24 PHE HB2 1 25 PHE H 4.500 . 4.500 2.530 2.342 3.673 . 0 0 "[ . 1 . 2]" 1
51 1 24 PHE HB3 1 25 PHE H 4.500 . 4.500 3.470 3.265 4.340 . 0 0 "[ . 1 . 2]" 1
52 1 26 LEU H 1 26 LEU HB2 4.000 . 4.000 2.550 2.390 2.745 . 0 0 "[ . 1 . 2]" 1
53 1 26 LEU H 1 26 LEU HB3 4.000 . 4.000 3.527 3.493 3.543 . 0 0 "[ . 1 . 2]" 1
54 1 24 PHE HA 1 26 LEU H 5.000 . 5.000 4.628 4.407 5.158 0.158 13 0 "[ . 1 . 2]" 1
55 1 21 ASN HA 1 26 LEU H 6.500 . 6.500 6.511 5.651 6.980 0.480 18 0 "[ . 1 . 2]" 1
56 1 22 THR HA 1 26 LEU H 5.500 . 5.500 5.213 4.621 5.454 . 0 0 "[ . 1 . 2]" 1
57 1 26 LEU H 1 141 GLU QB 5.500 . 5.500 6.171 5.637 7.006 1.506 10 12 "[ *-**** *+** . * *2]" 1
58 1 26 LEU HB2 1 27 ARG H 5.000 . 5.000 2.415 2.083 2.865 . 0 0 "[ . 1 . 2]" 1
59 1 26 LEU HB3 1 27 ARG H 5.000 . 5.000 3.638 3.402 4.088 . 0 0 "[ . 1 . 2]" 1
60 1 26 LEU H 1 27 ARG H 3.500 . 3.500 2.768 2.649 3.099 . 0 0 "[ . 1 . 2]" 1
61 1 26 LEU HA 1 27 ARG H 4.500 . 4.500 3.645 3.597 3.708 . 0 0 "[ . 1 . 2]" 1
62 1 27 ARG H 1 29 LYS H 4.500 . 4.500 4.399 3.711 4.564 0.064 9 0 "[ . 1 . 2]" 1
63 1 28 GLU H 1 29 LYS H 4.000 . 4.000 2.724 2.341 2.811 . 0 0 "[ . 1 . 2]" 1
64 1 27 ARG HA 1 28 GLU H 4.500 . 4.500 3.655 3.537 3.730 . 0 0 "[ . 1 . 2]" 1
65 1 26 LEU H 1 28 GLU H 5.000 . 5.000 4.236 3.864 4.591 . 0 0 "[ . 1 . 2]" 1
66 1 28 GLU H 1 31 LYS H 5.500 . 5.500 4.804 4.657 4.988 . 0 0 "[ . 1 . 2]" 1
67 1 25 PHE HA 1 28 GLU H 5.500 . 5.500 3.477 3.079 3.932 . 0 0 "[ . 1 . 2]" 1
68 1 26 LEU HA 1 28 GLU H 5.500 . 5.500 4.602 4.162 4.977 . 0 0 "[ . 1 . 2]" 1
69 1 24 PHE HB3 1 28 GLU H 5.500 . 5.500 4.857 4.545 5.647 0.147 18 0 "[ . 1 . 2]" 1
70 1 26 LEU H 1 29 LYS H 5.500 . 5.500 4.671 4.542 4.873 . 0 0 "[ . 1 . 2]" 1
71 1 28 GLU HA 1 29 LYS H 4.500 . 4.500 3.659 3.387 3.690 . 0 0 "[ . 1 . 2]" 1
72 1 29 LYS H 1 30 ASP H 4.000 . 4.000 2.898 2.546 3.064 . 0 0 "[ . 1 . 2]" 1
73 1 26 LEU HA 1 29 LYS H 5.500 . 5.500 3.744 3.342 4.119 . 0 0 "[ . 1 . 2]" 1
74 1 25 PHE HA 1 29 LYS H 5.500 . 5.500 3.520 3.221 4.760 . 0 0 "[ . 1 . 2]" 1
75 1 29 LYS HA 1 32 MET H 4.500 . 4.500 3.002 2.804 3.392 . 0 0 "[ . 1 . 2]" 1
76 1 29 LYS HA 1 31 LYS H 5.000 . 5.000 4.195 3.812 4.772 . 0 0 "[ . 1 . 2]" 1
77 1 29 LYS QB 1 31 LYS H 5.500 . 5.500 4.627 4.266 5.012 . 0 0 "[ . 1 . 2]" 1
78 1 29 LYS H 1 31 LYS H 5.500 . 5.500 4.171 3.327 4.568 . 0 0 "[ . 1 . 2]" 1
79 1 30 ASP H 1 31 LYS H 4.500 . 4.500 2.783 2.573 2.933 . 0 0 "[ . 1 . 2]" 1
80 1 30 ASP H 1 32 MET H 5.500 . 5.500 4.100 3.600 4.477 . 0 0 "[ . 1 . 2]" 1
81 1 30 ASP H 1 30 ASP HB2 3.500 . 3.500 2.689 2.489 3.124 . 0 0 "[ . 1 . 2]" 1
82 1 30 ASP H 1 30 ASP HB3 3.500 . 3.500 2.283 2.007 2.453 . 0 0 "[ . 1 . 2]" 1
83 1 29 LYS QB 1 30 ASP H 4.500 . 4.500 2.702 2.486 2.855 . 0 0 "[ . 1 . 2]" 1
84 1 26 LEU HA 1 30 ASP H 5.500 . 5.500 3.479 3.244 4.637 . 0 0 "[ . 1 . 2]" 1
85 1 27 ARG HA 1 30 ASP H 5.500 . 5.500 4.034 3.527 4.380 . 0 0 "[ . 1 . 2]" 1
86 1 31 LYS H 1 32 MET H 3.500 . 3.500 2.681 2.178 2.912 . 0 0 "[ . 1 . 2]" 1
87 1 30 ASP HB2 1 31 LYS H 4.500 . 4.500 4.189 3.825 4.518 0.018 19 0 "[ . 1 . 2]" 1
88 1 30 ASP HB3 1 31 LYS H 4.500 . 4.500 2.932 2.397 3.563 . 0 0 "[ . 1 . 2]" 1
89 1 32 MET H 1 33 LYS H 5.500 . 5.500 3.859 3.237 4.168 . 0 0 "[ . 1 . 2]" 1
90 1 31 LYS HA 1 32 MET H 3.500 . 3.500 3.681 3.487 3.839 0.339 13 0 "[ . 1 . 2]" 1
91 1 32 MET HA 1 33 LYS H 4.000 . 4.000 3.464 3.257 3.703 . 0 0 "[ . 1 . 2]" 1
92 1 34 MET H 1 35 ALA H 5.500 . 5.500 4.626 4.497 4.662 . 0 0 "[ . 1 . 2]" 1
93 1 33 LYS HA 1 34 MET H 3.000 . 3.000 2.744 2.634 2.805 . 0 0 "[ . 1 . 2]" 1
94 1 34 MET QB 1 149 GLN H 5.500 . 5.500 4.814 4.197 5.151 . 0 0 "[ . 1 . 2]" 1
95 1 16 VAL HA 1 34 MET QB 5.500 . 5.500 3.443 3.045 4.473 . 0 0 "[ . 1 . 2]" 1
96 1 34 MET HG3 1 35 ALA H 5.000 . 5.000 2.633 2.098 3.799 . 0 0 "[ . 1 . 2]" 1
97 1 34 MET HG2 1 35 ALA H 4.500 . 4.500 2.462 1.773 3.093 . 0 0 "[ . 1 . 2]" 1
98 1 34 MET HA 1 35 ALA H 2.500 . 2.500 2.369 2.083 2.772 0.272 16 0 "[ . 1 . 2]" 1
99 1 15 VAL H 1 35 ALA H 5.500 . 5.500 4.093 3.665 4.397 . 0 0 "[ . 1 . 2]" 1
100 1 35 ALA H 1 36 MET H 5.000 . 5.000 4.474 4.438 4.526 . 0 0 "[ . 1 . 2]" 1
101 1 16 VAL HA 1 35 ALA H 6.000 . 6.000 4.262 3.608 4.548 . 0 0 "[ . 1 . 2]" 1
102 1 35 ALA HA 1 36 MET H 2.500 . 2.500 2.597 2.489 2.662 0.162 8 0 "[ . 1 . 2]" 1
103 1 36 MET H 1 52 ALA H 4.500 . 4.500 2.817 2.658 3.093 . 0 0 "[ . 1 . 2]" 1
104 1 36 MET HA 1 37 ALA H 2.500 . 2.500 2.507 2.435 2.582 0.082 9 0 "[ . 1 . 2]" 1
105 1 37 ALA H 1 38 ARG H 5.500 . 5.500 4.071 4.011 4.175 . 0 0 "[ . 1 . 2]" 1
106 1 13 TRP H 1 37 ALA H 5.500 . 5.500 3.347 3.143 3.547 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS HA 1 37 ALA H 6.500 . 6.500 5.033 4.858 5.207 . 0 0 "[ . 1 . 2]" 1
108 1 38 ARG H 1 50 SER H 4.000 . 4.000 2.763 2.485 2.936 . 0 0 "[ . 1 . 2]" 1
109 1 37 ALA HA 1 38 ARG H 2.500 . 2.500 2.174 2.120 2.244 . 0 0 "[ . 1 . 2]" 1
110 1 38 ARG H 1 49 VAL HA 5.000 . 5.000 4.578 4.286 4.827 . 0 0 "[ . 1 . 2]" 1
111 1 38 ARG H 1 50 SER QB . . 4.500 3.476 2.802 4.188 . 0 0 "[ . 1 . 2]" 1
112 1 38 ARG H 1 51 TYR HA 4.500 . 4.500 3.784 3.546 4.114 . 0 0 "[ . 1 . 2]" 1
113 1 38 ARG H 1 38 ARG HB3 4.000 . 4.000 2.547 2.450 2.681 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS HA 1 38 ARG HB2 5.500 . 5.500 2.979 2.565 3.435 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS HA 1 38 ARG HB3 5.500 . 5.500 4.364 3.933 4.752 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLY H 1 39 ILE H 5.500 . 5.500 3.404 3.221 3.925 . 0 0 "[ . 1 . 2]" 1
117 1 38 ARG HA 1 39 ILE H 2.500 . 2.500 2.277 2.193 2.314 . 0 0 "[ . 1 . 2]" 1
118 1 39 ILE QG 1 40 SER H 4.500 . 4.500 4.689 4.552 4.846 0.346 20 0 "[ . 1 . 2]" 1
119 1 41 PHE H 1 41 PHE HB2 4.000 . 4.000 3.580 3.545 3.779 . 0 0 "[ . 1 . 2]" 1
120 1 41 PHE H 1 41 PHE HB3 4.000 . 4.000 2.832 2.654 3.372 . 0 0 "[ . 1 . 2]" 1
121 1 41 PHE HB2 1 42 LEU H 4.500 . 4.500 3.687 3.229 3.844 . 0 0 "[ . 1 . 2]" 1
122 1 41 PHE HB3 1 42 LEU H 4.500 . 4.500 4.350 4.148 4.429 . 0 0 "[ . 1 . 2]" 1
123 1 41 PHE HA 1 42 LEU H 2.500 . 2.500 2.212 2.176 2.354 . 0 0 "[ . 1 . 2]" 1
124 1 42 LEU H 1 43 GLY H 4.500 . 4.500 2.474 2.178 2.612 . 0 0 "[ . 1 . 2]" 1
125 1 42 LEU H 1 48 LYS H 5.500 . 5.500 3.014 2.781 3.556 . 0 0 "[ . 1 . 2]" 1
126 1 42 LEU H 1 42 LEU HB3 4.000 . 4.000 2.675 2.486 3.569 . 0 0 "[ . 1 . 2]" 1
127 1 42 LEU HB2 1 43 GLY H 3.500 . 3.500 3.628 2.523 3.946 0.446 18 0 "[ . 1 . 2]" 1
128 1 42 LEU HB3 1 43 GLY H 3.500 . 3.500 2.580 2.275 3.009 . 0 0 "[ . 1 . 2]" 1
129 1 42 LEU HA 1 43 GLY H 4.000 . 4.000 3.621 3.582 3.652 . 0 0 "[ . 1 . 2]" 1
130 1 43 GLY H 1 46 GLU H 5.500 . 5.500 2.912 2.738 3.056 . 0 0 "[ . 1 . 2]" 1
131 1 43 GLY H 1 44 GLU H 5.500 . 5.500 4.382 4.337 4.445 . 0 0 "[ . 1 . 2]" 1
132 1 41 PHE HB2 1 43 GLY H 5.500 . 5.500 3.873 3.431 4.599 . 0 0 "[ . 1 . 2]" 1
133 1 41 PHE HB3 1 43 GLY H 5.500 . 5.500 5.203 4.798 5.736 0.236 16 0 "[ . 1 . 2]" 1
134 1 41 PHE HA 1 43 GLY H 5.500 . 5.500 3.871 3.567 4.370 . 0 0 "[ . 1 . 2]" 1
135 1 44 GLU H 1 45 ASP H 3.500 . 3.500 2.832 2.726 2.933 . 0 0 "[ . 1 . 2]" 1
136 1 44 GLU H 1 46 GLU H 4.500 . 4.500 3.910 3.674 4.084 . 0 0 "[ . 1 . 2]" 1
137 1 44 GLU H 1 45 ASP HB2 5.500 . 5.500 5.429 5.277 5.773 0.273 20 0 "[ . 1 . 2]" 1
138 1 44 GLU H 1 45 ASP HB3 5.500 . 5.500 5.132 4.929 5.345 . 0 0 "[ . 1 . 2]" 1
139 1 45 ASP H 1 46 GLU H 3.000 . 3.000 2.238 2.101 2.470 . 0 0 "[ . 1 . 2]" 1
140 1 44 GLU HA 1 45 ASP H 4.000 . 4.000 3.624 3.552 3.725 . 0 0 "[ . 1 . 2]" 1
141 1 45 ASP H 1 45 ASP HB2 4.000 . 4.000 3.003 2.791 3.119 . 0 0 "[ . 1 . 2]" 1
142 1 45 ASP H 1 45 ASP HB3 4.000 . 4.000 2.499 2.370 2.633 . 0 0 "[ . 1 . 2]" 1
143 1 45 ASP H 1 46 GLU HA 4.500 . 4.500 4.764 4.665 4.942 0.442 16 0 "[ . 1 . 2]" 1
144 1 45 ASP HB3 1 68 LYS H 4.500 . 4.500 4.636 4.314 5.218 0.718 19 1 "[ . 1 . +2]" 1
145 1 45 ASP HB2 1 68 LYS H 4.500 . 4.500 4.678 3.813 5.437 0.937 19 2 "[ . 1 . - +2]" 1
146 1 45 ASP HA 1 46 GLU H 3.500 . 3.500 3.357 3.109 3.491 . 0 0 "[ . 1 . 2]" 1
147 1 46 GLU H 1 47 LEU H 5.500 . 5.500 4.427 3.899 4.501 . 0 0 "[ . 1 . 2]" 1
148 1 45 ASP HB2 1 46 GLU H 5.500 . 5.500 4.545 4.451 4.670 . 0 0 "[ . 1 . 2]" 1
149 1 45 ASP HB3 1 46 GLU H 5.500 . 5.500 3.724 3.458 4.091 . 0 0 "[ . 1 . 2]" 1
150 1 46 GLU HA 1 68 LYS H 5.500 . 5.500 3.540 2.979 5.047 . 0 0 "[ . 1 . 2]" 1
151 1 47 LEU H 1 66 PHE H 4.500 . 4.500 2.759 2.360 3.141 . 0 0 "[ . 1 . 2]" 1
152 1 46 GLU HA 1 47 LEU H 2.500 . 2.500 2.285 1.883 2.401 . 0 0 "[ . 1 . 2]" 1
153 1 47 LEU H 1 47 LEU HG 4.130 . 4.130 2.863 2.517 3.441 . 0 0 "[ . 1 . 2]" 1
154 1 47 LEU H 1 66 PHE HB2 5.500 . 5.500 3.952 3.377 4.327 . 0 0 "[ . 1 . 2]" 1
155 1 47 LEU H 1 66 PHE HB3 5.500 . 5.500 5.094 4.430 5.484 . 0 0 "[ . 1 . 2]" 1
156 1 46 GLU HA 1 47 LEU HB3 5.500 . 5.500 4.437 4.184 4.733 . 0 0 "[ . 1 . 2]" 1
157 1 47 LEU HB2 1 48 LYS H 3.680 . 3.680 2.714 2.474 3.027 . 0 0 "[ . 1 . 2]" 1
158 1 47 LEU HA 1 48 LYS H 2.500 . 2.500 2.313 2.245 2.377 . 0 0 "[ . 1 . 2]" 1
159 1 48 LYS H 1 48 LYS HB2 4.000 . 4.000 2.903 2.270 3.150 . 0 0 "[ . 1 . 2]" 1
160 1 48 LYS H 1 48 LYS HB3 3.500 . 3.500 2.721 2.447 3.154 . 0 0 "[ . 1 . 2]" 1
161 1 48 LYS HA 1 49 VAL H 2.500 . 2.500 2.309 2.209 2.343 . 0 0 "[ . 1 . 2]" 1
162 1 49 VAL H 1 50 SER H 4.500 . 4.500 4.402 4.343 4.464 . 0 0 "[ . 1 . 2]" 1
163 1 49 VAL HA 1 50 SER H 2.500 . 2.500 2.295 2.250 2.369 . 0 0 "[ . 1 . 2]" 1
164 1 49 VAL HB 1 50 SER H 5.500 . 5.500 3.095 2.933 3.330 . 0 0 "[ . 1 . 2]" 1
165 1 50 SER QB 1 51 TYR H 5.000 . 5.000 3.585 3.080 3.961 . 0 0 "[ . 1 . 2]" 1
166 1 38 ARG HB3 1 50 SER QB 5.500 . 5.500 2.526 1.636 3.455 . 0 0 "[ . 1 . 2]" 1
167 1 38 ARG HB2 1 50 SER QB 5.500 . 5.500 4.067 3.133 4.939 . 0 0 "[ . 1 . 2]" 1
168 1 50 SER QB 1 63 GLU HB3 5.500 . 5.500 3.303 1.699 5.720 0.220 13 0 "[ . 1 . 2]" 1
169 1 50 SER QB 1 63 GLU HA 5.500 . 5.500 3.807 3.070 4.429 . 0 0 "[ . 1 . 2]" 1
170 1 51 TYR H 1 62 TRP H 5.500 . 5.500 2.494 2.175 2.864 . 0 0 "[ . 1 . 2]" 1
171 1 50 SER HA 1 51 TYR H 2.500 . 2.500 2.219 2.177 2.283 . 0 0 "[ . 1 . 2]" 1
172 1 51 TYR H 1 63 GLU HA 4.500 . 4.500 3.182 2.871 3.537 . 0 0 "[ . 1 . 2]" 1
173 1 51 TYR HA 1 52 ALA H 2.500 . 2.500 2.306 2.280 2.328 . 0 0 "[ . 1 . 2]" 1
174 1 37 ALA HA 1 52 ALA H 4.500 . 4.500 3.606 3.253 3.799 . 0 0 "[ . 1 . 2]" 1
175 1 52 ALA HA 1 61 LYS HA 5.500 . 5.500 2.241 1.939 2.835 . 0 0 "[ . 1 . 2]" 1
176 1 52 ALA HA 1 53 VAL H 2.500 . 2.500 2.229 2.185 2.244 . 0 0 "[ . 1 . 2]" 1
177 1 57 ASN H 1 58 GLY H 4.500 . 4.500 2.714 2.557 3.325 . 0 0 "[ . 1 . 2]" 1
178 1 56 PRO HA 1 57 ASN H 4.500 . 4.500 3.608 3.490 3.656 . 0 0 "[ . 1 . 2]" 1
179 1 57 ASN HA 1 58 GLY H 3.500 . 3.500 3.327 2.876 3.552 0.052 15 0 "[ . 1 . 2]" 1
180 1 60 ARG H 1 61 LYS H 4.500 . 4.500 4.489 4.415 4.568 0.068 18 0 "[ . 1 . 2]" 1
181 1 60 ARG HA 1 61 LYS H 2.500 . 2.500 2.208 2.158 2.268 . 0 0 "[ . 1 . 2]" 1
182 1 61 LYS H 1 61 LYS HB3 3.500 . 3.500 2.918 2.369 3.211 . 0 0 "[ . 1 . 2]" 1
183 1 61 LYS H 1 62 TRP H 5.500 . 5.500 4.473 4.442 4.512 . 0 0 "[ . 1 . 2]" 1
184 1 61 LYS HB2 1 62 TRP H 4.000 . 4.000 2.955 2.488 3.921 . 0 0 "[ . 1 . 2]" 1
185 1 61 LYS HB3 1 62 TRP H 4.500 . 4.500 4.096 3.931 4.273 . 0 0 "[ . 1 . 2]" 1
186 1 61 LYS HA 1 62 TRP H 2.500 . 2.500 2.397 2.306 2.521 0.021 16 0 "[ . 1 . 2]" 1
187 1 62 TRP HE1 1 63 GLU H 6.000 . 6.000 4.623 3.964 5.176 . 0 0 "[ . 1 . 2]" 1
188 1 62 TRP HD1 1 63 GLU H 5.500 . 5.500 3.957 2.299 4.692 . 0 0 "[ . 1 . 2]" 1
189 1 62 TRP HA 1 63 GLU H 2.500 . 2.500 2.386 2.270 2.509 0.009 20 0 "[ . 1 . 2]" 1
190 1 63 GLU H 1 63 GLU HB3 4.000 . 4.000 3.514 3.078 3.792 . 0 0 "[ . 1 . 2]" 1
191 1 62 TRP H 1 63 GLU H 4.500 . 4.500 4.349 4.271 4.429 . 0 0 "[ . 1 . 2]" 1
192 1 63 GLU H 1 64 THR H 4.500 . 4.500 4.299 4.172 4.385 . 0 0 "[ . 1 . 2]" 1
193 1 63 GLU HA 1 64 THR H 2.500 . 2.500 2.217 2.158 2.356 . 0 0 "[ . 1 . 2]" 1
194 1 50 SER HA 1 64 THR H 4.500 . 4.500 3.746 3.461 4.249 . 0 0 "[ . 1 . 2]" 1
195 1 64 THR H 1 64 THR HB 4.000 . 4.000 3.032 2.636 3.660 . 0 0 "[ . 1 . 2]" 1
196 1 48 LYS HA 1 64 THR H 5.500 . 5.500 4.507 3.993 4.737 . 0 0 "[ . 1 . 2]" 1
197 1 67 LYS H 1 67 LYS HB3 4.000 . 4.000 3.469 3.228 3.586 . 0 0 "[ . 1 . 2]" 1
198 1 67 LYS H 1 77 TYR H 3.500 . 3.500 3.247 2.806 3.529 0.029 19 0 "[ . 1 . 2]" 1
199 1 66 PHE HA 1 67 LYS H 2.500 . 2.500 2.546 2.337 2.660 0.160 19 0 "[ . 1 . 2]" 1
200 1 67 LYS HB2 1 68 LYS H 4.500 . 4.500 4.198 4.009 4.379 . 0 0 "[ . 1 . 2]" 1
201 1 67 LYS HA 1 68 LYS H 2.500 . 2.500 2.353 2.149 2.592 0.092 18 0 "[ . 1 . 2]" 1
202 1 68 LYS H 1 77 TYR H 5.500 . 5.500 5.387 4.983 5.604 0.104 20 0 "[ . 1 . 2]" 1
203 1 69 THR H 1 69 THR HB 3.500 . 3.500 2.818 2.550 3.073 . 0 0 "[ . 1 . 2]" 1
204 1 69 THR H 1 77 TYR H 5.500 . 5.500 3.574 2.668 3.989 . 0 0 "[ . 1 . 2]" 1
205 1 68 LYS HB2 1 69 THR H 5.500 . 5.500 4.460 4.183 4.710 . 0 0 "[ . 1 . 2]" 1
206 1 68 LYS HB3 1 69 THR H 5.500 . 5.500 4.446 4.168 4.676 . 0 0 "[ . 1 . 2]" 1
207 1 69 THR H 1 76 TYR HB3 5.500 . 5.500 4.224 3.335 4.664 . 0 0 "[ . 1 . 2]" 1
208 1 70 SER H 1 71 ASP H 4.500 . 4.500 3.812 3.585 4.159 . 0 0 "[ . 1 . 2]" 1
209 1 69 THR H 1 70 SER H 5.500 . 5.500 3.528 3.368 3.722 . 0 0 "[ . 1 . 2]" 1
210 1 69 THR HA 1 70 SER H 3.500 . 3.500 2.361 2.321 2.420 . 0 0 "[ . 1 . 2]" 1
211 1 70 SER HA 1 71 ASP H 3.180 . 3.180 2.543 2.373 2.644 . 0 0 "[ . 1 . 2]" 1
212 1 70 SER QB 1 71 ASP H 4.990 . 4.990 3.987 3.866 4.024 . 0 0 "[ . 1 . 2]" 1
213 1 70 SER QB 1 75 VAL HA 5.500 . 5.500 6.007 4.787 6.823 1.323 7 13 "[******+***** .- 2]" 1
214 1 71 ASP H 1 72 ASP H 4.500 . 4.500 2.972 2.612 3.232 . 0 0 "[ . 1 . 2]" 1
215 1 71 ASP H 1 71 ASP HB2 3.500 . 3.500 2.299 2.013 2.685 . 0 0 "[ . 1 . 2]" 1
216 1 71 ASP H 1 71 ASP HB3 3.500 . 3.500 2.572 2.145 2.980 . 0 0 "[ . 1 . 2]" 1
217 1 71 ASP HB3 1 72 ASP H 3.500 . 3.500 2.052 1.778 2.364 . 0 0 "[ . 1 . 2]" 1
218 1 72 ASP H 1 74 GLU HA 6.000 . 6.000 5.920 5.522 6.348 0.348 13 0 "[ . 1 . 2]" 1
219 1 71 ASP HA 1 72 ASP H 4.000 . 4.000 3.675 3.651 3.798 . 0 0 "[ . 1 . 2]" 1
220 1 72 ASP H 1 73 GLY H 4.500 . 4.500 3.148 1.832 3.773 . 0 0 "[ . 1 . 2]" 1
221 1 72 ASP HB2 1 73 GLY H 4.500 . 4.500 4.464 3.792 4.612 0.112 2 0 "[ . 1 . 2]" 1
222 1 72 ASP HB3 1 73 GLY H 4.500 . 4.500 4.181 2.845 4.370 . 0 0 "[ . 1 . 2]" 1
223 1 72 ASP HA 1 73 GLY H 3.500 . 3.500 2.486 1.994 3.220 . 0 0 "[ . 1 . 2]" 1
224 1 73 GLY H 1 74 GLU H 4.500 . 4.500 3.925 3.449 4.246 . 0 0 "[ . 1 . 2]" 1
225 1 73 GLY HA3 1 75 VAL H 6.000 . 6.000 4.986 4.386 6.304 0.304 17 0 "[ . 1 . 2]" 1
226 1 72 ASP HA 1 74 GLU H 5.500 . 5.500 5.337 4.314 6.158 0.658 14 1 "[ . 1 +. 2]" 1
227 1 73 GLY HA2 1 74 GLU H 3.500 . 3.500 3.849 3.698 4.240 0.740 14 1 "[ . 1 +. 2]" 1
228 1 73 GLY HA3 1 74 GLU H 3.500 . 3.500 2.974 2.763 3.724 0.224 14 0 "[ . 1 . 2]" 1
229 1 74 GLU H 1 86 GLU HA 6.500 . 6.500 5.618 5.192 5.982 . 0 0 "[ . 1 . 2]" 1
230 1 74 GLU HA 1 75 VAL H 2.500 . 2.500 2.619 2.261 2.840 0.340 14 0 "[ . 1 . 2]" 1
231 1 76 TYR H 1 87 VAL H 5.000 . 5.000 4.818 4.518 5.029 0.029 14 0 "[ . 1 . 2]" 1
232 1 76 TYR H 1 86 GLU HB3 5.500 . 5.500 4.585 3.416 5.364 . 0 0 "[ . 1 . 2]" 1
233 1 76 TYR H 1 86 GLU HB2 5.500 . 5.500 5.629 4.351 6.353 0.853 14 4 "[ . *-1 +. * 2]" 1
234 1 76 TYR H 1 86 GLU HA 4.500 . 4.500 3.438 2.901 3.797 . 0 0 "[ . 1 . 2]" 1
235 1 76 TYR H 1 84 LYS HA 6.000 . 6.000 5.169 4.809 5.621 . 0 0 "[ . 1 . 2]" 1
236 1 67 LYS H 1 76 TYR HA 5.500 . 5.500 5.121 4.601 6.009 0.509 19 1 "[ . 1 . +2]" 1
237 1 69 THR H 1 76 TYR HA 5.500 . 5.500 2.232 2.037 2.497 . 0 0 "[ . 1 . 2]" 1
238 1 76 TYR HB2 1 77 TYR H 4.500 . 4.500 3.897 3.298 4.212 . 0 0 "[ . 1 . 2]" 1
239 1 76 TYR HB3 1 77 TYR H 4.500 . 4.500 2.691 2.005 3.023 . 0 0 "[ . 1 . 2]" 1
240 1 76 TYR HA 1 77 TYR H 2.500 . 2.500 2.386 2.233 2.712 0.212 19 0 "[ . 1 . 2]" 1
241 1 77 TYR H 1 78 SER H 4.500 . 4.500 4.354 4.001 4.487 . 0 0 "[ . 1 . 2]" 1
242 1 69 THR HB 1 77 TYR H 5.500 . 5.500 3.291 2.639 4.422 . 0 0 "[ . 1 . 2]" 1
243 1 67 LYS HA 1 77 TYR H 5.500 . 5.500 5.168 4.856 5.477 . 0 0 "[ . 1 . 2]" 1
244 1 77 TYR HA 1 78 SER H 3.500 . 3.500 2.282 2.229 2.361 . 0 0 "[ . 1 . 2]" 1
245 1 78 SER HA 1 79 GLU HB2 4.500 . 4.500 4.409 4.165 4.724 0.224 19 0 "[ . 1 . 2]" 1
246 1 79 GLU H 1 80 GLU H 3.500 . 3.500 2.689 2.307 2.830 . 0 0 "[ . 1 . 2]" 1
247 1 79 GLU H 1 81 ALA H 5.500 . 5.500 4.028 3.423 4.282 . 0 0 "[ . 1 . 2]" 1
248 1 78 SER HA 1 79 GLU H 2.500 . 2.500 2.343 2.186 2.475 . 0 0 "[ . 1 . 2]" 1
249 1 79 GLU H 1 79 GLU HB3 3.500 . 3.500 2.828 2.609 3.184 . 0 0 "[ . 1 . 2]" 1
250 1 80 GLU H 1 81 ALA H 3.500 . 3.500 2.718 2.403 2.867 . 0 0 "[ . 1 . 2]" 1
251 1 80 GLU H 1 82 LYS H 4.500 . 4.500 4.050 3.897 4.187 . 0 0 "[ . 1 . 2]" 1
252 1 81 ALA H 1 82 LYS H 4.000 . 4.000 2.324 2.162 2.547 . 0 0 "[ . 1 . 2]" 1
253 1 82 LYS H 1 83 LYS H 3.500 . 3.500 2.760 2.595 3.096 . 0 0 "[ . 1 . 2]" 1
254 1 78 SER H 1 82 LYS H 5.500 . 5.500 5.060 4.692 5.534 0.034 15 0 "[ . 1 . 2]" 1
255 1 83 LYS H 1 84 LYS H 5.000 . 5.000 4.334 4.258 4.460 . 0 0 "[ . 1 . 2]" 1
256 1 78 SER H 1 83 LYS H 4.500 . 4.500 3.151 2.909 3.527 . 0 0 "[ . 1 . 2]" 1
257 1 82 LYS HA 1 83 LYS H 3.000 . 3.000 2.753 2.568 2.829 . 0 0 "[ . 1 . 2]" 1
258 1 83 LYS HA 1 84 LYS H 2.500 . 2.500 2.266 2.147 2.395 . 0 0 "[ . 1 . 2]" 1
259 1 84 LYS H 1 103 VAL HA 6.500 . 6.500 7.288 6.844 7.795 1.295 15 19 "[**************+*-* *]" 1
260 1 77 TYR HA 1 84 LYS HA 5.500 . 5.500 2.217 1.963 2.675 . 0 0 "[ . 1 . 2]" 1
261 1 84 LYS H 1 101 THR H 4.500 . 4.500 3.004 2.805 3.257 . 0 0 "[ . 1 . 2]" 1
262 1 76 TYR H 1 85 VAL H 5.500 . 5.500 3.212 2.904 3.765 . 0 0 "[ . 1 . 2]" 1
263 1 84 LYS HA 1 85 VAL H 2.500 . 2.500 2.347 2.209 2.412 . 0 0 "[ . 1 . 2]" 1
264 1 75 VAL HA 1 76 TYR H 2.500 . 2.500 2.440 2.173 2.527 0.027 13 0 "[ . 1 . 2]" 1
265 1 77 TYR HA 1 85 VAL H 5.500 . 5.500 3.254 3.011 3.562 . 0 0 "[ . 1 . 2]" 1
266 1 85 VAL HB 1 86 GLU H 4.500 . 4.500 3.144 2.354 4.220 . 0 0 "[ . 1 . 2]" 1
267 1 84 LYS HA 1 85 VAL HB 5.500 . 5.500 5.636 4.511 5.785 0.285 19 0 "[ . 1 . 2]" 1
268 1 85 VAL H 1 86 GLU H 4.500 . 4.500 4.351 4.238 4.482 . 0 0 "[ . 1 . 2]" 1
269 1 85 VAL HA 1 86 GLU H 2.500 . 2.500 2.299 2.209 2.534 0.034 3 0 "[ . 1 . 2]" 1
270 1 86 GLU H 1 100 ALA HA 5.500 . 5.500 3.339 3.054 3.610 . 0 0 "[ . 1 . 2]" 1
271 1 86 GLU H 1 99 TYR H 4.500 . 4.500 3.172 2.917 3.552 . 0 0 "[ . 1 . 2]" 1
272 1 86 GLU H 1 86 GLU HB2 4.000 . 4.000 3.742 3.398 3.917 . 0 0 "[ . 1 . 2]" 1
273 1 86 GLU H 1 99 TYR QB 5.500 . 5.500 3.176 2.885 3.728 . 0 0 "[ . 1 . 2]" 1
274 1 87 VAL H 1 88 LEU H 5.000 . 5.000 4.448 4.335 4.561 . 0 0 "[ . 1 . 2]" 1
275 1 86 GLU HA 1 87 VAL H 2.500 . 2.500 2.207 2.158 2.303 . 0 0 "[ . 1 . 2]" 1
276 1 87 VAL H 1 87 VAL HB 3.500 . 3.500 2.687 2.574 2.970 . 0 0 "[ . 1 . 2]" 1
277 1 87 VAL HA 1 88 LEU H 2.500 . 2.500 2.253 2.197 2.298 . 0 0 "[ . 1 . 2]" 1
278 1 88 LEU H 1 89 ASP H 3.500 . 3.500 2.602 2.423 2.691 . 0 0 "[ . 1 . 2]" 1
279 1 88 LEU H 1 89 ASP HB2 5.500 . 5.500 5.449 5.187 5.691 0.191 5 0 "[ . 1 . 2]" 1
280 1 88 LEU H 1 98 ILE HA 4.500 . 4.500 2.206 1.934 3.075 . 0 0 "[ . 1 . 2]" 1
281 1 88 LEU H 1 89 ASP HA 5.500 . 5.500 4.951 4.773 5.027 . 0 0 "[ . 1 . 2]" 1
282 1 88 LEU H 1 97 VAL HB 5.500 . 5.500 4.934 4.331 5.433 . 0 0 "[ . 1 . 2]" 1
283 1 89 ASP H 1 90 THR H 4.500 . 4.500 4.304 4.227 4.336 . 0 0 "[ . 1 . 2]" 1
284 1 89 ASP H 1 98 ILE HA 5.500 . 5.500 3.955 3.675 4.383 . 0 0 "[ . 1 . 2]" 1
285 1 89 ASP H 1 96 ALA HA 6.000 . 6.000 5.043 4.916 5.376 . 0 0 "[ . 1 . 2]" 1
286 1 88 LEU HA 1 89 ASP H 5.500 . 5.500 3.673 3.581 3.698 . 0 0 "[ . 1 . 2]" 1
287 1 87 VAL HA 1 89 ASP H 5.500 . 5.500 4.104 3.595 4.259 . 0 0 "[ . 1 . 2]" 1
288 1 89 ASP H 1 89 ASP HB2 4.000 . 4.000 3.307 3.125 3.539 . 0 0 "[ . 1 . 2]" 1
289 1 89 ASP H 1 89 ASP HB3 3.500 . 3.500 3.071 2.867 3.262 . 0 0 "[ . 1 . 2]" 1
290 1 89 ASP H 1 97 VAL HB 4.500 . 4.500 4.524 4.244 5.216 0.716 20 2 "[ . 1 . - +]" 1
291 1 89 ASP HB3 1 90 THR H 4.500 . 4.500 3.843 3.567 4.192 . 0 0 "[ . 1 . 2]" 1
292 1 89 ASP HA 1 90 THR H 2.500 . 2.500 2.329 2.251 2.416 . 0 0 "[ . 1 . 2]" 1
293 1 90 THR H 1 97 VAL H 5.500 . 5.500 4.786 4.601 5.139 . 0 0 "[ . 1 . 2]" 1
294 1 90 THR H 1 91 ASP H 4.500 . 4.500 4.284 3.757 4.404 . 0 0 "[ . 1 . 2]" 1
295 1 90 THR HA 1 91 ASP H 2.500 . 2.500 2.309 2.251 2.408 . 0 0 "[ . 1 . 2]" 1
296 1 91 ASP H 1 95 TYR H 4.800 . 4.800 4.587 4.368 4.760 . 0 0 "[ . 1 . 2]" 1
297 1 91 ASP H 1 92 TYR H 4.500 . 4.500 4.546 4.439 4.623 0.123 19 0 "[ . 1 . 2]" 1
298 1 91 ASP H 1 93 LYS H 5.500 . 5.500 5.268 5.101 5.385 . 0 0 "[ . 1 . 2]" 1
299 1 91 ASP H 1 94 SER H 5.500 . 5.500 4.008 3.799 4.220 . 0 0 "[ . 1 . 2]" 1
300 1 91 ASP H 1 96 ALA HA 4.500 . 4.500 3.256 3.012 3.646 . 0 0 "[ . 1 . 2]" 1
301 1 95 TYR H 1 96 ALA H 5.500 . 5.500 4.591 4.499 4.662 . 0 0 "[ . 1 . 2]" 1
302 1 96 ALA H 1 115 TYR H 4.500 . 4.500 3.098 2.501 3.408 . 0 0 "[ . 1 . 2]" 1
303 1 96 ALA H 1 116 SER H 5.500 . 5.500 5.167 4.734 5.523 0.023 4 0 "[ . 1 . 2]" 1
304 1 96 ALA H 1 97 VAL H 5.500 . 5.500 4.399 4.260 4.495 . 0 0 "[ . 1 . 2]" 1
305 1 95 TYR HA 1 96 ALA H 2.500 . 2.500 2.553 2.421 2.686 0.186 5 0 "[ . 1 . 2]" 1
306 1 96 ALA H 1 116 SER HA 4.500 . 4.500 3.663 3.355 4.092 . 0 0 "[ . 1 . 2]" 1
307 1 95 TYR HB2 1 96 ALA H 5.500 . 5.500 2.341 2.058 2.574 . 0 0 "[ . 1 . 2]" 1
308 1 95 TYR HB3 1 96 ALA H 5.500 . 5.500 3.766 3.552 3.929 . 0 0 "[ . 1 . 2]" 1
309 1 96 ALA H 1 115 TYR HB2 5.500 . 5.500 5.404 4.856 5.782 0.282 12 0 "[ . 1 . 2]" 1
310 1 96 ALA H 1 115 TYR HB3 5.500 . 5.500 5.457 5.046 5.894 0.394 12 0 "[ . 1 . 2]" 1
311 1 97 VAL H 1 98 ILE H 4.500 . 4.500 4.340 4.202 4.598 0.098 19 0 "[ . 1 . 2]" 1
312 1 96 ALA HA 1 97 VAL H 2.500 . 2.500 2.355 2.297 2.448 . 0 0 "[ . 1 . 2]" 1
313 1 89 ASP H 1 97 VAL H 4.500 . 4.500 3.092 2.915 3.418 . 0 0 "[ . 1 . 2]" 1
314 1 89 ASP HA 1 97 VAL H 5.500 . 5.500 4.800 4.501 5.121 . 0 0 "[ . 1 . 2]" 1
315 1 89 ASP HB2 1 97 VAL H 5.500 . 5.500 5.045 4.598 5.617 0.117 11 0 "[ . 1 . 2]" 1
316 1 90 THR HA 1 97 VAL H 5.500 . 5.500 3.265 3.098 3.587 . 0 0 "[ . 1 . 2]" 1
317 1 90 THR HB 1 97 VAL H 4.500 . 4.500 3.895 3.534 4.271 . 0 0 "[ . 1 . 2]" 1
318 1 97 VAL H 1 97 VAL HB 4.000 . 4.000 3.760 3.688 3.798 . 0 0 "[ . 1 . 2]" 1
319 1 97 VAL HA 1 98 ILE H 2.500 . 2.500 2.258 2.213 2.387 . 0 0 "[ . 1 . 2]" 1
320 1 97 VAL HB 1 98 ILE H 5.500 . 5.500 3.386 2.904 3.585 . 0 0 "[ . 1 . 2]" 1
321 1 98 ILE H 1 112 MET HA 6.000 . 6.000 5.333 4.839 5.711 . 0 0 "[ . 1 . 2]" 1
322 1 89 ASP H 1 99 TYR H 5.500 . 5.500 5.484 5.236 5.712 0.212 20 0 "[ . 1 . 2]" 1
323 1 88 LEU H 1 99 TYR H 4.500 . 4.500 3.050 2.786 3.414 . 0 0 "[ . 1 . 2]" 1
324 1 98 ILE HA 1 99 TYR H 2.500 . 2.500 2.283 2.223 2.326 . 0 0 "[ . 1 . 2]" 1
325 1 87 VAL HA 1 99 TYR H 4.500 . 4.500 3.159 2.866 3.553 . 0 0 "[ . 1 . 2]" 1
326 1 85 VAL HB 1 99 TYR H 5.500 . 5.500 5.083 4.481 6.622 1.122 10 1 "[ . + . 2]" 1
327 1 86 GLU HB2 1 99 TYR H 5.500 . 5.500 4.654 3.865 5.683 0.183 18 0 "[ . 1 . 2]" 1
328 1 86 GLU HB3 1 99 TYR H 5.500 . 5.500 5.418 5.074 5.999 0.499 18 0 "[ . 1 . 2]" 1
329 1 85 VAL HA 1 99 TYR H 5.500 . 5.500 5.048 4.863 5.258 . 0 0 "[ . 1 . 2]" 1
330 1 99 TYR HA 1 112 MET HA 5.500 . 5.500 2.412 1.794 2.705 . 0 0 "[ . 1 . 2]" 1
331 1 99 TYR HA 1 99 TYR HD1 4.000 . 4.000 3.114 2.321 4.047 0.047 5 0 "[ . 1 . 2]" 1
332 1 99 TYR HD1 1 100 ALA H 5.500 . 5.500 3.617 2.929 4.167 . 0 0 "[ . 1 . 2]" 1
333 1 99 TYR QB 1 100 ALA H 5.500 . 5.500 3.691 3.441 3.886 . 0 0 "[ . 1 . 2]" 1
334 1 100 ALA H 1 111 MET H 4.500 . 4.500 3.181 2.519 3.530 . 0 0 "[ . 1 . 2]" 1
335 1 99 TYR HA 1 100 ALA H 2.500 . 2.500 2.281 2.139 2.350 . 0 0 "[ . 1 . 2]" 1
336 1 100 ALA H 1 112 MET HA 5.500 . 5.500 2.816 2.472 3.248 . 0 0 "[ . 1 . 2]" 1
337 1 85 VAL HA 1 100 ALA HA 5.500 . 5.500 2.088 1.757 2.431 . 0 0 "[ . 1 . 2]" 1
338 1 100 ALA HA 1 101 THR H 2.500 . 2.500 2.262 2.168 2.340 . 0 0 "[ . 1 . 2]" 1
339 1 83 LYS HA 1 103 VAL H 5.500 . 5.500 3.674 3.243 4.189 . 0 0 "[ . 1 . 2]" 1
340 1 102 ARG HA 1 103 VAL H 2.500 . 2.500 2.332 2.257 2.492 . 0 0 "[ . 1 . 2]" 1
341 1 103 VAL H 1 103 VAL HB 3.500 . 3.500 2.893 2.608 3.750 0.250 3 0 "[ . 1 . 2]" 1
342 1 101 THR H 1 102 ARG H 5.500 . 5.500 4.368 4.312 4.429 . 0 0 "[ . 1 . 2]" 1
343 1 85 VAL HA 1 101 THR H 4.500 . 4.500 3.345 3.059 3.859 . 0 0 "[ . 1 . 2]" 1
344 1 86 GLU H 1 101 THR H 5.500 . 5.500 5.102 4.448 5.469 . 0 0 "[ . 1 . 2]" 1
345 1 101 THR HA 1 110 HIS HA 5.500 . 5.500 2.232 1.903 2.708 . 0 0 "[ . 1 . 2]" 1
346 1 101 THR HB 1 102 ARG H 5.000 . 5.000 3.967 2.600 4.331 . 0 0 "[ . 1 . 2]" 1
347 1 101 THR HA 1 102 ARG H 2.500 . 2.500 2.327 2.264 2.426 . 0 0 "[ . 1 . 2]" 1
348 1 102 ARG H 1 109 LEU H 4.500 . 4.500 2.912 2.447 3.404 . 0 0 "[ . 1 . 2]" 1
349 1 102 ARG H 1 110 HIS HA 4.000 . 4.000 3.556 3.175 4.080 0.080 19 0 "[ . 1 . 2]" 1
350 1 102 ARG H 1 109 LEU HA 5.500 . 5.500 4.618 4.070 4.935 . 0 0 "[ . 1 . 2]" 1
351 1 102 ARG H 1 108 THR HA 5.500 . 5.500 4.749 4.116 5.237 . 0 0 "[ . 1 . 2]" 1
352 1 103 VAL HA 1 104 LYS H 2.500 . 2.500 2.189 2.042 2.357 . 0 0 "[ . 1 . 2]" 1
353 1 104 LYS H 1 106 GLY H 5.500 . 5.500 5.067 4.884 5.298 . 0 0 "[ . 1 . 2]" 1
354 1 105 ASP QB 1 106 GLY H 5.500 . 5.500 3.771 3.644 3.868 . 0 0 "[ . 1 . 2]" 1
355 1 106 GLY H 1 107 ARG H 3.500 . 3.500 2.793 2.611 2.994 . 0 0 "[ . 1 . 2]" 1
356 1 106 GLY HA2 1 107 ARG H 5.500 . 5.500 3.427 3.339 3.596 . 0 0 "[ . 1 . 2]" 1
357 1 106 GLY HA3 1 107 ARG H 5.500 . 5.500 3.442 3.302 3.506 . 0 0 "[ . 1 . 2]" 1
358 1 105 ASP QB 1 107 ARG H 4.500 . 4.500 4.465 4.302 4.729 0.229 5 0 "[ . 1 . 2]" 1
359 1 107 ARG H 1 108 THR H 4.500 . 4.500 4.294 3.973 4.417 . 0 0 "[ . 1 . 2]" 1
360 1 104 LYS H 1 107 ARG H 3.500 . 3.500 3.180 2.970 3.399 . 0 0 "[ . 1 . 2]" 1
361 1 108 THR H 1 109 LEU H 5.000 . 5.000 4.511 4.426 4.636 . 0 0 "[ . 1 . 2]" 1
362 1 107 ARG HA 1 108 THR H 2.500 . 2.500 2.162 2.025 2.242 . 0 0 "[ . 1 . 2]" 1
363 1 108 THR HB 1 109 LEU H 5.000 . 5.000 3.995 3.008 4.442 . 0 0 "[ . 1 . 2]" 1
364 1 108 THR HA 1 109 LEU H 2.500 . 2.500 2.293 2.188 2.409 . 0 0 "[ . 1 . 2]" 1
365 1 101 THR HA 1 109 LEU H 5.500 . 5.500 4.846 4.515 5.271 . 0 0 "[ . 1 . 2]" 1
366 1 109 LEU HB2 1 110 HIS H 4.000 . 4.000 4.178 3.949 4.293 0.293 13 0 "[ . 1 . 2]" 1
367 1 109 LEU HB2 1 110 HIS HA 5.500 . 5.500 5.762 4.893 6.017 0.517 20 1 "[ . 1 . +]" 1
368 1 109 LEU HB3 1 110 HIS HA 5.500 . 5.500 4.799 4.358 5.131 . 0 0 "[ . 1 . 2]" 1
369 1 110 HIS H 1 111 MET H 5.000 . 5.000 4.446 4.278 4.512 . 0 0 "[ . 1 . 2]" 1
370 1 109 LEU HA 1 110 HIS H 2.500 . 2.500 2.277 2.161 2.654 0.154 18 0 "[ . 1 . 2]" 1
371 1 109 LEU HG 1 110 HIS H 4.500 . 4.500 3.068 2.229 4.955 0.455 19 0 "[ . 1 . 2]" 1
372 1 110 HIS HA 1 111 MET H 2.500 . 2.500 2.360 2.275 2.490 . 0 0 "[ . 1 . 2]" 1
373 1 101 THR HA 1 111 MET H 5.000 . 5.000 3.307 2.896 3.824 . 0 0 "[ . 1 . 2]" 1
374 1 110 HIS HB2 1 111 MET H 5.500 . 5.500 4.018 3.380 4.255 . 0 0 "[ . 1 . 2]" 1
375 1 110 HIS HB3 1 111 MET H 5.500 . 5.500 2.931 2.126 3.223 . 0 0 "[ . 1 . 2]" 1
376 1 111 MET HA 1 112 MET H 2.500 . 2.500 2.257 2.142 2.428 . 0 0 "[ . 1 . 2]" 1
377 1 19 ALA HA 1 112 MET H 5.500 . 5.500 4.288 4.115 4.527 . 0 0 "[ . 1 . 2]" 1
378 1 113 ARG H 1 114 LEU H 6.000 . 6.000 4.387 4.208 4.460 . 0 0 "[ . 1 . 2]" 1
379 1 112 MET HA 1 113 ARG H 2.500 . 2.500 2.388 2.261 2.479 . 0 0 "[ . 1 . 2]" 1
380 1 100 ALA H 1 113 ARG H 5.000 . 5.000 4.518 4.075 4.979 . 0 0 "[ . 1 . 2]" 1
381 1 98 ILE H 1 113 ARG H 5.500 . 5.500 3.331 2.811 3.751 . 0 0 "[ . 1 . 2]" 1
382 1 99 TYR HA 1 113 ARG H 5.500 . 5.500 3.368 2.966 3.815 . 0 0 "[ . 1 . 2]" 1
383 1 99 TYR QB 1 113 ARG H 6.000 . 6.000 5.036 4.610 5.408 . 0 0 "[ . 1 . 2]" 1
384 1 113 ARG HA 1 114 LEU H 2.500 . 2.500 2.337 2.182 2.517 0.017 8 0 "[ . 1 . 2]" 1
385 1 18 LEU HA 1 114 LEU H 4.500 . 4.500 3.802 3.217 4.479 . 0 0 "[ . 1 . 2]" 1
386 1 18 LEU HG 1 114 LEU H 5.500 . 5.500 4.668 4.043 5.665 0.165 20 0 "[ . 1 . 2]" 1
387 1 115 TYR H 1 116 SER H 5.500 . 5.500 4.507 4.467 4.549 . 0 0 "[ . 1 . 2]" 1
388 1 114 LEU HA 1 115 TYR H 2.500 . 2.500 2.252 2.066 2.308 . 0 0 "[ . 1 . 2]" 1
389 1 115 TYR HA 1 116 SER H 3.000 . 3.000 2.322 2.149 2.394 . 0 0 "[ . 1 . 2]" 1
390 1 115 TYR HB2 1 116 SER H 5.500 . 5.500 2.738 2.398 2.917 . 0 0 "[ . 1 . 2]" 1
391 1 16 VAL HB 1 116 SER H 6.500 . 6.500 5.935 5.288 6.815 0.315 17 0 "[ . 1 . 2]" 1
392 1 116 SER HB3 1 120 GLU QB 6.500 . 6.500 5.416 4.485 6.634 0.134 17 0 "[ . 1 . 2]" 1
393 1 116 SER HB3 1 117 ARG H 5.500 . 5.500 2.765 2.664 2.976 . 0 0 "[ . 1 . 2]" 1
394 1 116 SER HB2 1 117 ARG H 5.000 . 5.000 3.826 3.539 3.994 . 0 0 "[ . 1 . 2]" 1
395 1 116 SER HB2 1 120 GLU QB 6.500 . 6.500 5.586 4.881 6.543 0.043 19 0 "[ . 1 . 2]" 1
396 1 116 SER HA 1 117 ARG H 2.500 . 2.500 2.430 2.349 2.492 . 0 0 "[ . 1 . 2]" 1
397 1 117 ARG H 1 118 SER H 4.500 . 4.500 2.707 2.545 2.829 . 0 0 "[ . 1 . 2]" 1
398 1 95 TYR HA 1 117 ARG H 5.500 . 5.500 3.498 2.922 4.294 . 0 0 "[ . 1 . 2]" 1
399 1 96 ALA H 1 117 ARG H 6.000 . 6.000 5.480 5.103 6.067 0.067 15 0 "[ . 1 . 2]" 1
400 1 117 ARG H 1 117 ARG HB2 4.000 . 4.000 2.144 1.990 2.523 . 0 0 "[ . 1 . 2]" 1
401 1 117 ARG H 1 117 ARG HB3 4.000 . 4.000 3.273 2.344 3.542 . 0 0 "[ . 1 . 2]" 1
402 1 117 ARG HA 1 118 SER H 3.500 . 3.500 3.525 3.201 3.626 0.126 19 0 "[ . 1 . 2]" 1
403 1 117 ARG HB2 1 118 SER H 4.000 . 4.000 3.505 2.913 4.347 0.347 20 0 "[ . 1 . 2]" 1
404 1 117 ARG HB3 1 118 SER H 4.500 . 4.500 3.627 3.115 4.160 . 0 0 "[ . 1 . 2]" 1
405 1 117 ARG HB2 1 118 SER QB 5.500 . 5.500 4.981 4.480 5.818 0.318 4 0 "[ . 1 . 2]" 1
406 1 116 SER HA 1 118 SER H 4.500 . 4.500 4.077 3.848 4.402 . 0 0 "[ . 1 . 2]" 1
407 1 118 SER H 1 118 SER QB 3.500 . 3.500 2.772 2.491 2.861 . 0 0 "[ . 1 . 2]" 1
408 1 118 SER H 1 119 PRO HD3 5.000 . 5.000 4.975 4.665 5.068 0.068 10 0 "[ . 1 . 2]" 1
409 1 118 SER QB 1 119 PRO HD3 4.500 . 4.500 3.041 2.794 3.869 . 0 0 "[ . 1 . 2]" 1
410 1 118 SER QB 1 120 GLU H 3.500 . 3.500 3.645 3.108 4.247 0.747 10 1 "[ . + . 2]" 1
411 1 119 PRO HB2 1 120 GLU H 5.500 . 5.500 4.456 4.381 4.484 . 0 0 "[ . 1 . 2]" 1
412 1 119 PRO HB3 1 120 GLU H 5.500 . 5.500 4.759 4.672 4.796 . 0 0 "[ . 1 . 2]" 1
413 1 119 PRO HG2 1 120 GLU H 5.500 . 5.500 4.817 4.606 5.028 . 0 0 "[ . 1 . 2]" 1
414 1 118 SER HA 1 119 PRO HG2 4.500 . 4.500 4.784 4.353 4.916 0.416 2 0 "[ . 1 . 2]" 1
415 1 119 PRO HG3 1 120 GLU H 5.500 . 5.500 5.750 5.596 5.867 0.367 10 0 "[ . 1 . 2]" 1
416 1 118 SER HA 1 119 PRO HG3 4.500 . 4.500 4.708 4.400 4.890 0.390 10 0 "[ . 1 . 2]" 1
417 1 119 PRO HD2 1 120 GLU H 5.500 . 5.500 4.606 4.311 4.959 . 0 0 "[ . 1 . 2]" 1
418 1 118 SER HA 1 119 PRO HD2 3.500 . 3.500 2.667 2.143 2.815 . 0 0 "[ . 1 . 2]" 1
419 1 119 PRO HD3 1 120 GLU H 5.500 . 5.500 5.014 4.816 5.179 . 0 0 "[ . 1 . 2]" 1
420 1 118 SER HA 1 119 PRO HD3 3.500 . 3.500 2.456 2.259 2.655 . 0 0 "[ . 1 . 2]" 1
421 1 120 GLU H 1 121 VAL H 4.500 . 4.500 4.107 3.947 4.408 . 0 0 "[ . 1 . 2]" 1
422 1 118 SER HA 1 120 GLU H 4.500 . 4.500 4.705 4.357 4.921 0.421 10 0 "[ . 1 . 2]" 1
423 1 116 SER HA 1 120 GLU H 6.500 . 6.500 5.865 5.574 6.656 0.156 17 0 "[ . 1 . 2]" 1
424 1 116 SER HB3 1 120 GLU H 5.500 . 5.500 3.645 3.254 4.536 . 0 0 "[ . 1 . 2]" 1
425 1 120 GLU HA 1 121 VAL H 3.000 . 3.000 2.268 2.190 2.599 . 0 0 "[ . 1 . 2]" 1
426 1 120 GLU QB 1 121 VAL H 3.000 . 3.000 3.150 1.981 3.571 0.571 3 2 "[ -+ . 1 . 2]" 1
427 1 121 VAL H 1 122 SER H 4.500 . 4.500 4.509 4.079 4.576 0.076 9 0 "[ . 1 . 2]" 1
428 1 121 VAL HA 1 122 SER HA 5.000 . 5.000 4.421 4.276 4.474 . 0 0 "[ . 1 . 2]" 1
429 1 121 VAL HA 1 122 SER H 3.000 . 3.000 2.225 2.169 2.262 . 0 0 "[ . 1 . 2]" 1
430 1 121 VAL HB 1 122 SER H 4.500 . 4.500 4.075 3.528 4.405 . 0 0 "[ . 1 . 2]" 1
431 1 122 SER H 1 122 SER HB3 3.500 . 3.500 3.138 2.999 3.594 0.094 18 0 "[ . 1 . 2]" 1
432 1 124 ALA H 1 125 ALA H 3.500 . 3.500 2.886 2.743 3.098 . 0 0 "[ . 1 . 2]" 1
433 1 125 ALA H 1 126 THR H 3.500 . 3.500 2.659 2.572 2.860 . 0 0 "[ . 1 . 2]" 1
434 1 122 SER H 1 125 ALA H 5.500 . 5.500 4.278 4.051 5.018 . 0 0 "[ . 1 . 2]" 1
435 1 124 ALA HA 1 125 ALA H 3.500 . 3.500 3.663 3.637 3.728 0.228 13 0 "[ . 1 . 2]" 1
436 1 122 SER H 1 126 THR H 5.500 . 5.500 4.369 3.900 4.754 . 0 0 "[ . 1 . 2]" 1
437 1 122 SER HA 1 126 THR H 5.500 . 5.500 5.154 4.732 5.370 . 0 0 "[ . 1 . 2]" 1
438 1 125 ALA HA 1 126 THR H 4.500 . 4.500 3.615 3.586 3.652 . 0 0 "[ . 1 . 2]" 1
439 1 126 THR H 1 126 THR HB 4.000 . 4.000 2.555 2.473 2.811 . 0 0 "[ . 1 . 2]" 1
440 1 126 THR HB 1 127 ALA H 5.000 . 5.000 2.427 2.284 2.508 . 0 0 "[ . 1 . 2]" 1
441 1 126 THR HB 1 129 PHE H 6.000 . 6.000 5.800 5.663 6.018 0.018 13 0 "[ . 1 . 2]" 1
442 1 127 ALA H 1 129 PHE H 5.500 . 5.500 4.440 4.313 4.657 . 0 0 "[ . 1 . 2]" 1
443 1 127 ALA H 1 128 ILE H 3.500 . 3.500 2.714 2.527 2.891 . 0 0 "[ . 1 . 2]" 1
444 1 125 ALA HA 1 127 ALA H 5.500 . 5.500 4.682 4.573 4.889 . 0 0 "[ . 1 . 2]" 1
445 1 127 ALA HA 1 130 ARG H 4.000 . 4.000 3.554 3.361 3.807 . 0 0 "[ . 1 . 2]" 1
446 1 127 ALA HA 1 128 ILE H 4.000 . 4.000 3.641 3.619 3.674 . 0 0 "[ . 1 . 2]" 1
447 1 128 ILE H 1 129 PHE H 3.500 . 3.500 2.811 2.683 2.956 . 0 0 "[ . 1 . 2]" 1
448 1 128 ILE H 1 130 ARG H 5.500 . 5.500 4.163 3.950 4.709 . 0 0 "[ . 1 . 2]" 1
449 1 125 ALA HA 1 128 ILE H 5.500 . 5.500 3.496 3.257 3.770 . 0 0 "[ . 1 . 2]" 1
450 1 128 ILE H 1 128 ILE HB 3.000 . 3.000 2.396 2.333 2.528 . 0 0 "[ . 1 . 2]" 1
451 1 128 ILE H 1 128 ILE HG13 4.000 . 4.000 3.633 3.519 3.706 . 0 0 "[ . 1 . 2]" 1
452 1 128 ILE HA 1 132 LEU H 5.500 . 5.500 4.354 4.036 4.765 . 0 0 "[ . 1 . 2]" 1
453 1 128 ILE HA 1 129 PHE H 5.500 . 5.500 3.674 3.658 3.714 . 0 0 "[ . 1 . 2]" 1
454 1 128 ILE HB 1 129 PHE H 4.000 . 4.000 2.489 2.223 2.644 . 0 0 "[ . 1 . 2]" 1
455 1 125 ALA HA 1 128 ILE HB 5.500 . 5.500 2.556 2.307 3.010 . 0 0 "[ . 1 . 2]" 1
456 1 129 PHE H 1 130 ARG H 4.000 . 4.000 2.834 2.753 3.008 . 0 0 "[ . 1 . 2]" 1
457 1 130 ARG H 1 131 LYS H 4.000 . 4.000 2.766 2.609 3.164 . 0 0 "[ . 1 . 2]" 1
458 1 130 ARG HA 1 131 LYS H 5.500 . 5.500 3.665 3.640 3.703 . 0 0 "[ . 1 . 2]" 1
459 1 131 LYS H 1 132 LEU H 4.000 . 4.000 2.961 2.896 3.053 . 0 0 "[ . 1 . 2]" 1
460 1 128 ILE HA 1 131 LYS H 5.500 . 5.500 3.474 3.196 3.935 . 0 0 "[ . 1 . 2]" 1
461 1 132 LEU H 1 133 ALA H 4.000 . 4.000 2.667 2.566 2.791 . 0 0 "[ . 1 . 2]" 1
462 1 132 LEU HA 1 135 GLU H 5.500 . 5.500 3.290 3.089 3.492 . 0 0 "[ . 1 . 2]" 1
463 1 133 ALA H 1 134 GLY H 3.500 . 3.500 2.844 2.721 2.937 . 0 0 "[ . 1 . 2]" 1
464 1 133 ALA H 1 135 GLU H 5.000 . 5.000 4.195 4.020 4.388 . 0 0 "[ . 1 . 2]" 1
465 1 134 GLY H 1 135 GLU H 4.000 . 4.000 2.612 2.508 2.784 . 0 0 "[ . 1 . 2]" 1
466 1 134 GLY H 1 136 ARG H 4.500 . 4.500 4.109 3.982 4.460 . 0 0 "[ . 1 . 2]" 1
467 1 131 LYS H 1 134 GLY H 5.500 . 5.500 4.701 4.599 4.840 . 0 0 "[ . 1 . 2]" 1
468 1 132 LEU H 1 134 GLY H 5.500 . 5.500 4.181 4.053 4.403 . 0 0 "[ . 1 . 2]" 1
469 1 130 ARG HA 1 134 GLY H 5.500 . 5.500 3.981 3.695 4.275 . 0 0 "[ . 1 . 2]" 1
470 1 135 GLU H 1 136 ARG H 3.500 . 3.500 2.685 2.588 2.881 . 0 0 "[ . 1 . 2]" 1
471 1 136 ARG H 1 138 TYR H 4.000 . 4.000 3.499 3.348 3.871 . 0 0 "[ . 1 . 2]" 1
472 1 132 LEU HA 1 136 ARG H 5.500 . 5.500 4.822 4.728 4.943 . 0 0 "[ . 1 . 2]" 1
473 1 136 ARG H 1 137 ASN H 3.500 . 3.500 2.705 2.614 2.946 . 0 0 "[ . 1 . 2]" 1
474 1 133 ALA H 1 136 ARG H 5.500 . 5.500 5.103 5.018 5.317 . 0 0 "[ . 1 . 2]" 1
475 1 137 ASN H 1 137 ASN HA 3.000 . 3.000 2.208 2.190 2.224 . 0 0 "[ . 1 . 2]" 1
476 1 137 ASN H 1 137 ASN HB2 3.500 . 3.500 3.525 3.411 3.681 0.181 19 0 "[ . 1 . 2]" 1
477 1 137 ASN H 1 138 TYR H 3.500 . 3.500 2.807 2.587 2.929 . 0 0 "[ . 1 . 2]" 1
478 1 137 ASN H 1 138 TYR HA 5.500 . 5.500 5.194 5.007 5.275 . 0 0 "[ . 1 . 2]" 1
479 1 137 ASN HA 1 138 TYR H 3.500 . 3.500 2.909 2.798 3.089 . 0 0 "[ . 1 . 2]" 1
480 1 137 ASN HB2 1 138 TYR H 4.500 . 4.500 4.347 4.187 4.473 . 0 0 "[ . 1 . 2]" 1
481 1 137 ASN H 1 137 ASN HD21 4.500 . 4.500 3.465 3.059 4.311 . 0 0 "[ . 1 . 2]" 1
482 1 137 ASN HA 1 137 ASN HD21 4.500 . 4.500 2.283 1.732 3.945 . 0 0 "[ . 1 . 2]" 1
483 1 137 ASN HB3 1 137 ASN HD21 3.500 . 3.500 2.812 2.302 3.550 0.050 13 0 "[ . 1 . 2]" 1
484 1 137 ASN H 1 137 ASN HD22 4.500 . 4.500 4.192 3.906 4.541 0.041 16 0 "[ . 1 . 2]" 1
485 1 137 ASN HA 1 137 ASN HD22 4.500 . 4.500 3.615 3.334 4.356 . 0 0 "[ . 1 . 2]" 1
486 1 137 ASN HB3 1 137 ASN HD22 4.000 . 4.000 3.756 3.532 4.118 0.118 13 0 "[ . 1 . 2]" 1
487 1 138 TYR H 1 139 THR H 5.500 . 5.500 4.654 4.609 4.688 . 0 0 "[ . 1 . 2]" 1
488 1 138 TYR HA 1 139 THR H 3.000 . 3.000 2.448 2.270 2.540 . 0 0 "[ . 1 . 2]" 1
489 1 139 THR H 1 139 THR HB 4.000 . 4.000 3.521 2.905 3.709 . 0 0 "[ . 1 . 2]" 1
490 1 139 THR H 1 142 MET H 5.500 . 5.500 3.598 3.263 3.838 . 0 0 "[ . 1 . 2]" 1
491 1 139 THR HA 1 140 ASP H 3.000 . 3.000 2.415 2.319 2.519 . 0 0 "[ . 1 . 2]" 1
492 1 139 THR HB 1 140 ASP H 3.000 . 3.000 2.884 2.550 3.554 0.554 8 1 "[ . + 1 . 2]" 1
493 1 140 ASP H 1 143 VAL H 5.500 . 5.500 5.395 5.046 5.657 0.157 20 0 "[ . 1 . 2]" 1
494 1 140 ASP HA 1 143 VAL H 3.500 . 3.500 3.735 3.281 4.266 0.766 20 3 "[ . 1 - * +]" 1
495 1 141 GLU H 1 142 MET H 3.500 . 3.500 2.840 2.525 2.973 . 0 0 "[ . 1 . 2]" 1
496 1 141 GLU H 1 143 VAL H 4.500 . 4.500 4.457 4.287 4.662 0.162 20 0 "[ . 1 . 2]" 1
497 1 141 GLU QB 1 142 MET H 5.500 . 5.500 3.335 2.803 3.762 . 0 0 "[ . 1 . 2]" 1
498 1 142 MET H 1 143 VAL H 3.500 . 3.500 2.410 2.229 2.518 . 0 0 "[ . 1 . 2]" 1
499 1 141 GLU HA 1 142 MET H 4.000 . 4.000 3.466 3.255 3.619 . 0 0 "[ . 1 . 2]" 1
500 1 21 ASN HA 1 142 MET HG2 5.500 . 5.500 4.603 4.094 4.886 . 0 0 "[ . 1 . 2]" 1
501 1 21 ASN HA 1 142 MET HG3 5.500 . 5.500 3.136 2.565 3.540 . 0 0 "[ . 1 . 2]" 1
502 1 143 VAL H 1 144 ALA H 4.500 . 4.500 4.508 4.261 4.584 0.084 16 0 "[ . 1 . 2]" 1
503 1 143 VAL H 1 143 VAL HB 3.500 . 3.500 2.546 2.081 2.766 . 0 0 "[ . 1 . 2]" 1
504 1 142 MET HA 1 143 VAL H 3.500 . 3.500 3.534 3.413 3.628 0.128 19 0 "[ . 1 . 2]" 1
505 1 142 MET HG3 1 143 VAL H 5.500 . 5.500 5.037 4.837 5.170 . 0 0 "[ . 1 . 2]" 1
506 1 19 ALA HA 1 143 VAL H 5.500 . 5.500 4.573 4.379 4.976 . 0 0 "[ . 1 . 2]" 1
507 1 143 VAL HB 1 144 ALA H 5.000 . 5.000 3.939 3.786 4.371 . 0 0 "[ . 1 . 2]" 1
508 1 144 ALA H 1 145 MET H 4.500 . 4.500 4.276 4.182 4.466 . 0 0 "[ . 1 . 2]" 1
509 1 143 VAL HA 1 144 ALA H 2.500 . 2.500 2.363 2.088 2.430 . 0 0 "[ . 1 . 2]" 1
510 1 19 ALA HA 1 144 ALA H 5.500 . 5.500 3.356 2.682 3.653 . 0 0 "[ . 1 . 2]" 1
511 1 18 LEU HG 1 144 ALA H 5.500 . 5.500 5.250 4.705 6.333 0.833 19 1 "[ . 1 . +2]" 1
512 1 144 ALA HA 1 145 MET H 2.500 . 2.500 2.165 1.934 2.248 . 0 0 "[ . 1 . 2]" 1
513 1 145 MET H 1 146 LEU H 5.000 . 5.000 4.544 4.510 4.663 . 0 0 "[ . 1 . 2]" 1
514 1 145 MET H 1 145 MET HG2 4.000 . 4.000 3.577 1.894 4.201 0.201 1 0 "[ . 1 . 2]" 1
515 1 145 MET H 1 145 MET HG3 4.000 . 4.000 3.188 2.891 3.993 . 0 0 "[ . 1 . 2]" 1
516 1 17 ALA HA 1 145 MET H 5.500 . 5.500 5.121 4.408 5.484 . 0 0 "[ . 1 . 2]" 1
517 1 145 MET HA 1 146 LEU H 2.500 . 2.500 2.315 2.245 2.534 0.034 19 0 "[ . 1 . 2]" 1
518 1 145 MET HG2 1 146 LEU H 5.500 . 5.500 4.332 3.953 5.090 . 0 0 "[ . 1 . 2]" 1
519 1 145 MET HG3 1 146 LEU H 5.500 . 5.500 4.925 4.014 5.350 . 0 0 "[ . 1 . 2]" 1
520 1 146 LEU H 1 146 LEU HG 4.500 . 4.500 4.315 4.169 4.542 0.042 19 0 "[ . 1 . 2]" 1
521 1 146 LEU H 1 146 LEU HB3 4.000 . 4.000 3.710 3.604 3.814 . 0 0 "[ . 1 . 2]" 1
522 1 34 MET HA 1 146 LEU H 5.500 . 5.500 5.212 4.292 5.669 0.169 10 0 "[ . 1 . 2]" 1
523 1 17 ALA HA 1 146 LEU H 4.500 . 4.500 3.848 3.373 4.327 . 0 0 "[ . 1 . 2]" 1
524 1 147 PRO HA 1 148 ARG H 3.000 . 3.000 2.785 2.593 3.161 0.161 19 0 "[ . 1 . 2]" 1
525 1 147 PRO HB2 1 148 ARG H 3.500 . 3.500 2.049 1.614 2.746 . 0 0 "[ . 1 . 2]" 1
526 1 148 ARG H 1 149 GLN H 4.500 . 4.500 3.688 3.376 3.894 . 0 0 "[ . 1 . 2]" 1
527 1 148 ARG HA 1 149 GLN H 3.500 . 3.500 2.505 2.320 2.590 . 0 0 "[ . 1 . 2]" 1
528 1 149 GLN HA 1 150 GLU H 3.000 . 3.000 2.924 1.493 3.323 0.323 18 0 "[ . 1 . 2]" 1
529 1 150 GLU HA 1 152 CYS H 6.000 . 6.000 3.952 3.010 4.221 . 0 0 "[ . 1 . 2]" 1
530 1 150 GLU HA 1 151 GLU H 3.500 . 3.500 2.309 1.880 2.533 . 0 0 "[ . 1 . 2]" 1
531 1 150 GLU HB3 1 151 GLU H 4.500 . 4.500 3.779 3.303 4.159 . 0 0 "[ . 1 . 2]" 1
532 1 150 GLU HB2 1 151 GLU H 4.500 . 4.500 2.733 1.751 4.024 . 0 0 "[ . 1 . 2]" 1
533 1 150 GLU H 1 151 GLU H 4.500 . 4.500 4.600 4.322 4.673 0.173 6 0 "[ . 1 . 2]" 1
534 1 151 GLU H 1 152 CYS H 3.500 . 3.500 2.092 1.787 2.315 . 0 0 "[ . 1 . 2]" 1
535 1 151 GLU H 1 152 CYS HA 5.500 . 5.500 4.472 4.323 4.755 . 0 0 "[ . 1 . 2]" 1
536 1 151 GLU H 1 152 CYS HB2 5.500 . 5.500 4.852 4.396 5.111 . 0 0 "[ . 1 . 2]" 1
537 1 151 GLU H 1 152 CYS HB3 5.500 . 5.500 4.305 4.026 4.634 . 0 0 "[ . 1 . 2]" 1
538 1 151 GLU HA 1 152 CYS H 5.500 . 5.500 3.652 3.463 3.700 . 0 0 "[ . 1 . 2]" 1
539 1 152 CYS H 1 153 THR H 4.500 . 4.500 4.430 4.086 4.514 0.014 17 0 "[ . 1 . 2]" 1
540 1 152 CYS H 1 152 CYS HB2 4.000 . 4.000 2.815 2.591 3.067 . 0 0 "[ . 1 . 2]" 1
541 1 152 CYS H 1 152 CYS HB3 4.000 . 4.000 2.377 2.267 2.582 . 0 0 "[ . 1 . 2]" 1
542 1 152 CYS HA 1 153 THR H 3.000 . 3.000 2.240 1.767 2.653 . 0 0 "[ . 1 . 2]" 1
543 1 152 CYS HB2 1 153 THR H 4.000 . 4.000 4.209 3.737 4.405 0.405 11 0 "[ . 1 . 2]" 1
544 1 152 CYS HB3 1 153 THR H 5.000 . 5.000 4.086 3.164 4.309 . 0 0 "[ . 1 . 2]" 1
545 1 153 THR H 1 154 VAL H 4.500 . 4.500 4.450 4.255 4.488 . 0 0 "[ . 1 . 2]" 1
546 1 153 THR HA 1 154 VAL H 2.500 . 2.500 2.419 2.288 2.760 0.260 16 0 "[ . 1 . 2]" 1
547 1 153 THR HB 1 154 VAL H 3.500 . 3.500 2.927 1.694 3.705 0.205 2 0 "[ . 1 . 2]" 1
548 1 154 VAL H 1 155 ASP H 4.500 . 4.500 4.570 4.510 4.613 0.113 7 0 "[ . 1 . 2]" 1
549 1 154 VAL H 1 154 VAL HB 3.500 . 3.500 2.769 2.619 3.155 . 0 0 "[ . 1 . 2]" 1
550 1 154 VAL HA 1 155 ASP H 2.500 . 2.500 2.288 2.240 2.502 0.002 16 0 "[ . 1 . 2]" 1
551 1 154 VAL HA 1 155 ASP HA 4.500 . 4.500 4.353 4.284 4.435 . 0 0 "[ . 1 . 2]" 1
552 1 154 VAL HB 1 155 ASP H 3.500 . 3.500 4.207 4.123 4.291 0.791 13 20 [******-*****+*******] 1
553 1 155 ASP H 1 155 ASP QB 3.500 . 3.500 2.178 2.068 2.271 . 0 0 "[ . 1 . 2]" 1
554 1 155 ASP QB 1 157 VAL H 4.500 . 4.500 4.553 3.944 5.006 0.506 18 1 "[ . 1 . + 2]" 1
555 1 155 ASP QB 1 156 GLU H 3.500 . 3.500 3.494 3.420 3.587 0.087 10 0 "[ . 1 . 2]" 1
556 1 155 ASP HA 1 156 GLU H 2.500 . 2.500 2.364 2.311 2.472 . 0 0 "[ . 1 . 2]" 1
557 1 156 GLU H 1 157 VAL H 3.500 . 3.500 2.213 2.107 2.434 . 0 0 "[ . 1 . 2]" 1
558 1 156 GLU HB3 1 157 VAL H 4.500 . 4.500 4.081 3.918 4.415 . 0 0 "[ . 1 . 2]" 1
559 1 156 GLU H 1 156 GLU HG2 3.500 . 3.500 1.943 1.710 2.154 . 0 0 "[ . 1 . 2]" 1
560 1 156 GLU H 1 156 GLU HB3 3.500 . 3.500 3.070 2.968 3.258 . 0 0 "[ . 1 . 2]" 1
561 1 156 GLU H 1 156 GLU HG3 3.500 . 3.500 3.040 2.259 3.314 . 0 0 "[ . 1 . 2]" 1
562 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 3.580 3.487 3.696 0.196 3 0 "[ . 1 . 2]" 1
563 1 59 CYS SG 1 152 CYS SG 2.100 . 2.100 2.033 2.028 2.067 . 0 0 "[ . 1 . 2]" 1
564 1 59 CYS SG 1 152 CYS CB 3.100 . 3.100 3.053 3.023 3.172 0.072 20 0 "[ . 1 . 2]" 1
565 1 59 CYS CB 1 152 CYS SG 3.100 . 3.100 3.037 3.021 3.061 . 0 0 "[ . 1 . 2]" 1
566 1 100 ALA MB 2 1 EB4 H7 3.500 . 3.500 2.277 1.603 2.874 . 0 0 "[ . 1 . 2]" 1
567 1 109 LEU H 2 1 EB4 H10 6.000 . 6.000 6.002 5.900 6.182 0.182 18 0 "[ . 1 . 2]" 1
568 1 109 LEU H 2 1 EB4 H13 6.000 . 6.000 5.664 5.092 6.006 0.006 16 0 "[ . 1 . 2]" 1
569 1 109 LEU HB2 2 1 EB4 H13 5.500 . 5.500 4.379 3.033 4.859 . 0 0 "[ . 1 . 2]" 1
570 1 109 LEU HB3 2 1 EB4 H13 5.500 . 5.500 3.255 2.136 3.552 . 0 0 "[ . 1 . 2]" 1
571 1 109 LEU QD 2 1 EB4 H10 5.500 . 6.000 3.770 2.951 5.254 . 0 0 "[ . 1 . 2]" 1
572 1 109 LEU QD 2 1 EB4 H13 5.500 . 6.000 2.080 1.440 3.515 . 0 0 "[ . 1 . 2]" 1
573 1 110 HIS H 2 1 EB4 H13 6.000 . 6.000 5.570 3.131 6.054 0.054 14 0 "[ . 1 . 2]" 1
574 1 111 MET H 2 1 EB4 H10 6.000 . 6.000 4.013 3.120 4.966 . 0 0 "[ . 1 . 2]" 1
575 1 111 MET ME 2 1 EB4 H13 5.500 . 6.000 3.317 2.242 4.720 . 0 0 "[ . 1 . 2]" 1
576 1 111 MET ME 2 1 EB4 H10 5.500 . 6.000 3.907 3.268 5.153 . 0 0 "[ . 1 . 2]" 1
577 1 15 VAL MG2 2 1 EB4 H12 5.500 3.000 6.000 3.181 2.628 4.000 0.372 4 0 "[ . 1 . 2]" 1
578 1 15 VAL MG2 2 1 EB4 H9 5.500 . 6.000 4.168 3.360 4.801 . 0 0 "[ . 1 . 2]" 1
579 1 36 MET H 2 1 EB4 H12 6.000 . 6.000 4.694 4.347 5.019 . 0 0 "[ . 1 . 2]" 1
580 1 36 MET H 2 1 EB4 H9 6.000 . 6.000 6.066 5.856 6.181 0.181 12 0 "[ . 1 . 2]" 1
581 1 35 ALA MB 2 1 EB4 H9 5.500 . 6.000 4.184 3.880 4.512 . 0 0 "[ . 1 . 2]" 1
582 1 35 ALA MB 2 1 EB4 H12 5.500 . 6.000 2.316 2.036 2.586 . 0 0 "[ . 1 . 2]" 1
583 1 52 ALA H 2 1 EB4 H12 6.000 . 6.000 5.962 5.843 6.005 0.005 16 0 "[ . 1 . 2]" 1
584 1 53 VAL MG1 2 1 EB4 H15 5.500 . 6.000 2.713 2.393 3.028 . 0 0 "[ . 1 . 2]" 1
585 1 53 VAL MG1 2 1 EB4 H12 5.500 2.500 6.000 3.698 3.199 4.064 . 0 0 "[ . 1 . 2]" 1
586 1 53 VAL MG1 2 1 EB4 H9 5.500 . 6.000 4.869 4.377 5.138 . 0 0 "[ . 1 . 2]" 1
587 1 62 TRP HE1 2 1 EB4 H11 5.500 . 5.500 4.878 3.303 5.691 0.191 2 0 "[ . 1 . 2]" 1
588 1 81 ALA MB 2 1 EB4 H14 5.500 . 6.000 4.406 3.591 4.742 . 0 0 "[ . 1 . 2]" 1
589 1 153 THR H 1 153 THR MG 4.000 . 5.000 3.590 3.207 4.014 . 0 0 "[ . 1 . 2]" 1
590 1 153 THR HB 1 154 VAL MG1 5.500 . 6.500 4.239 2.960 4.946 . 0 0 "[ . 1 . 2]" 1
591 1 153 THR MG 1 154 VAL H 4.500 . 5.500 2.901 1.890 3.462 . 0 0 "[ . 1 . 2]" 1
592 1 152 CYS H 1 153 THR MG 4.500 . 5.500 4.743 3.978 5.897 0.397 2 0 "[ . 1 . 2]" 1
593 1 150 GLU HA 1 153 THR MG 4.500 . 5.500 5.607 4.909 7.160 1.660 2 4 "[ + . * 1 - . *]" 1
594 1 152 CYS HB2 1 153 THR MG 5.500 . 6.500 6.107 5.427 6.874 0.374 8 0 "[ . 1 . 2]" 1
595 1 152 CYS HB3 1 153 THR MG 5.500 . 6.500 5.393 4.804 6.129 . 0 0 "[ . 1 . 2]" 1
596 1 36 MET QG 1 153 THR MG 5.500 . 6.500 3.940 3.064 4.341 . 0 0 "[ . 1 . 2]" 1
597 1 10 ALA HA 1 39 ILE MG 5.500 . 6.500 4.955 3.782 5.531 . 0 0 "[ . 1 . 2]" 1
598 1 10 ALA MB 1 11 GLY QA 4.500 . 5.500 3.476 3.444 3.504 . 0 0 "[ . 1 . 2]" 1
599 1 10 ALA MB 1 11 GLY H 3.500 . 4.500 2.039 1.903 2.236 . 0 0 "[ . 1 . 2]" 1
600 1 10 ALA MB 1 41 PHE HA 5.500 . 6.500 4.985 4.660 5.226 . 0 0 "[ . 1 . 2]" 1
601 1 10 ALA MB 1 41 PHE H 5.500 . 6.500 3.255 2.931 4.292 . 0 0 "[ . 1 . 2]" 1
602 1 10 ALA MB 1 39 ILE MG 6.000 . 7.000 3.881 2.942 4.385 . 0 0 "[ . 1 . 2]" 1
603 1 10 ALA MB 1 39 ILE MD 5.500 . 6.500 5.604 5.092 6.046 . 0 0 "[ . 1 . 2]" 1
604 1 11 GLY QA 1 12 LYS H 4.500 . 5.500 2.269 2.237 2.333 . 0 0 "[ . 1 . 2]" 1
605 1 11 GLY QA 1 12 LYS HA 4.500 . 5.500 3.967 3.954 3.980 . 0 0 "[ . 1 . 2]" 1
606 1 12 LYS H 1 12 LYS QB 3.500 . 4.500 2.885 2.701 2.979 . 0 0 "[ . 1 . 2]" 1
607 1 12 LYS QB 1 13 TRP H 4.500 . 5.500 2.951 2.773 3.217 . 0 0 "[ . 1 . 2]" 1
608 1 12 LYS QG 1 13 TRP H 5.500 . 6.500 4.061 3.619 4.235 . 0 0 "[ . 1 . 2]" 1
609 1 13 TRP HE1 1 39 ILE MD 5.500 . 6.500 4.697 4.163 5.408 . 0 0 "[ . 1 . 2]" 1
610 1 13 TRP HE1 1 39 ILE MG 5.500 . 6.500 4.667 4.308 5.044 . 0 0 "[ . 1 . 2]" 1
611 1 10 ALA MB 1 13 TRP HE1 4.000 . 5.000 4.895 3.846 5.388 0.388 3 0 "[ . 1 . 2]" 1
612 1 14 TYR H 1 16 VAL MG1 5.500 . 6.500 4.827 4.507 5.638 . 0 0 "[ . 1 . 2]" 1
613 1 14 TYR QE 1 37 ALA H 6.000 . 7.000 5.779 4.679 6.060 . 0 0 "[ . 1 . 2]" 1
614 1 14 TYR QD 1 37 ALA H 6.000 . 7.000 4.914 3.120 5.190 . 0 0 "[ . 1 . 2]" 1
615 1 16 VAL H 1 16 VAL MG1 4.500 . 5.500 2.666 2.367 2.905 . 0 0 "[ . 1 . 2]" 1
616 1 16 VAL H 1 16 VAL MG2 4.500 . 5.500 2.003 1.923 2.074 . 0 0 "[ . 1 . 2]" 1
617 1 16 VAL H 1 114 LEU QD 5.500 . 6.500 3.531 2.942 4.420 . 0 0 "[ . 1 . 2]" 1
618 1 15 VAL MG1 1 16 VAL HB 5.500 . 6.500 6.206 6.022 6.870 0.370 16 0 "[ . 1 . 2]" 1
619 1 16 VAL MG1 1 116 SER HB2 5.000 . 6.000 2.716 1.889 3.209 . 0 0 "[ . 1 . 2]" 1
620 1 16 VAL MG2 1 121 VAL HB 5.500 . 6.500 4.227 3.851 5.356 . 0 0 "[ . 1 . 2]" 1
621 1 16 VAL MG1 1 116 SER HB3 5.000 . 6.000 3.855 3.117 4.336 . 0 0 "[ . 1 . 2]" 1
622 1 16 VAL MG2 1 116 SER HA 5.500 . 6.500 4.208 3.725 5.137 . 0 0 "[ . 1 . 2]" 1
623 1 17 ALA H 1 114 LEU QB 4.500 . 5.500 3.247 2.090 3.585 . 0 0 "[ . 1 . 2]" 1
624 1 17 ALA MB 1 18 LEU H 4.500 . 5.500 2.703 2.529 2.939 . 0 0 "[ . 1 . 2]" 1
625 1 18 LEU H 1 146 LEU MD1 5.500 . 6.500 6.360 5.595 7.064 0.564 19 1 "[ . 1 . +2]" 1
626 1 18 LEU MD2 1 19 ALA H 4.000 . 5.000 3.501 2.429 3.994 . 0 0 "[ . 1 . 2]" 1
627 1 19 ALA H 1 112 MET QG 5.500 . 6.500 5.053 4.241 5.593 . 0 0 "[ . 1 . 2]" 1
628 1 19 ALA MB 1 20 SER H 5.500 . 6.500 3.068 2.722 3.232 . 0 0 "[ . 1 . 2]" 1
629 1 19 ALA MB 1 112 MET H 4.000 . 5.000 2.002 1.652 2.921 . 0 0 "[ . 1 . 2]" 1
630 1 20 SER QB 1 21 ASN H 5.500 . 6.500 2.791 1.853 3.000 . 0 0 "[ . 1 . 2]" 1
631 1 21 ASN HD21 1 142 MET ME 5.500 . 6.500 4.637 3.610 6.117 . 0 0 "[ . 1 . 2]" 1
632 1 21 ASN HD22 1 142 MET ME 5.500 . 6.500 4.465 3.662 5.555 . 0 0 "[ . 1 . 2]" 1
633 1 22 THR H 1 22 THR MG 4.000 . 5.000 3.227 2.787 3.916 . 0 0 "[ . 1 . 2]" 1
634 1 22 THR H 1 25 PHE QB 4.500 . 5.500 2.980 2.402 3.257 . 0 0 "[ . 1 . 2]" 1
635 1 22 THR H 1 25 PHE QD 5.500 . 6.500 4.200 3.012 4.594 . 0 0 "[ . 1 . 2]" 1
636 1 22 THR MG 1 109 LEU QD 5.500 . 6.500 2.250 1.492 4.440 0.008 14 0 "[ . 1 . 2]" 1
637 1 22 THR MG 1 23 GLU H 4.500 . 5.500 3.271 2.331 3.693 . 0 0 "[ . 1 . 2]" 1
638 1 22 THR MG 1 24 PHE HA 5.500 . 6.500 6.043 4.651 6.608 0.108 15 0 "[ . 1 . 2]" 1
639 1 22 THR MG 1 25 PHE QB 5.500 . 6.500 4.160 3.250 4.559 . 0 0 "[ . 1 . 2]" 1
640 1 22 THR MG 1 25 PHE H 5.500 . 6.500 4.075 2.593 4.449 . 0 0 "[ . 1 . 2]" 1
641 1 22 THR MG 1 24 PHE QE 5.500 . 6.500 4.959 3.912 5.651 . 0 0 "[ . 1 . 2]" 1
642 1 22 THR MG 1 25 PHE QD 5.500 . 6.500 3.340 1.978 3.921 . 0 0 "[ . 1 . 2]" 1
643 1 21 ASN HA 1 22 THR MG 5.500 . 6.500 5.105 4.407 5.998 . 0 0 "[ . 1 . 2]" 1
644 1 20 SER QB 1 22 THR MG 5.500 . 6.500 4.836 4.499 5.535 . 0 0 "[ . 1 . 2]" 1
645 1 25 PHE H 1 25 PHE QB 3.500 . 4.500 2.238 2.138 2.327 . 0 0 "[ . 1 . 2]" 1
646 1 24 PHE QD 1 25 PHE H 5.500 . 6.500 4.155 3.941 4.643 . 0 0 "[ . 1 . 2]" 1
647 1 25 PHE QD 1 26 LEU H 5.000 . 6.000 4.410 4.229 4.646 . 0 0 "[ . 1 . 2]" 1
648 1 24 PHE QE 1 25 PHE H 5.500 . 6.500 6.291 6.119 6.553 0.053 13 0 "[ . 1 . 2]" 1
649 1 25 PHE QB 1 26 LEU H 4.500 . 5.500 2.646 2.538 2.937 . 0 0 "[ . 1 . 2]" 1
650 1 26 LEU H 1 26 LEU MD1 4.500 . 5.500 3.495 3.377 3.596 . 0 0 "[ . 1 . 2]" 1
651 1 26 LEU H 1 26 LEU MD2 4.500 . 5.500 3.000 2.424 3.447 . 0 0 "[ . 1 . 2]" 1
652 1 26 LEU MD1 1 27 ARG H 5.000 . 6.000 4.287 3.959 4.698 . 0 0 "[ . 1 . 2]" 1
653 1 26 LEU MD1 1 142 MET HA 5.500 . 6.500 1.902 1.383 2.880 . 0 0 "[ . 1 . 2]" 1
654 1 21 ASN HA 1 26 LEU MD1 5.500 . 6.500 3.877 3.189 5.295 . 0 0 "[ . 1 . 2]" 1
655 1 26 LEU MD2 1 27 ARG H 4.500 . 5.500 4.603 4.399 4.704 . 0 0 "[ . 1 . 2]" 1
656 1 26 LEU MD2 1 142 MET ME 5.500 . 6.500 4.338 3.621 4.606 . 0 0 "[ . 1 . 2]" 1
657 1 26 LEU MD2 1 142 MET QG 5.500 . 6.500 2.731 2.133 3.216 . 0 0 "[ . 1 . 2]" 1
658 1 21 ASN HA 1 26 LEU MD2 3.500 . 4.500 3.884 2.808 4.192 . 0 0 "[ . 1 . 2]" 1
659 1 23 GLU H 1 26 LEU MD2 5.500 . 6.500 5.702 4.398 6.124 . 0 0 "[ . 1 . 2]" 1
660 1 21 ASN QB 1 26 LEU MD2 5.500 . 6.500 5.045 4.097 5.259 . 0 0 "[ . 1 . 2]" 1
661 1 26 LEU MD2 1 142 MET HA 5.500 . 6.500 1.745 1.043 1.990 . 0 0 "[ . 1 . 2]" 1
662 1 26 LEU MD2 1 142 MET H 5.500 . 6.500 3.924 3.706 4.145 . 0 0 "[ . 1 . 2]" 1
663 1 26 LEU MD2 1 143 VAL HA 5.500 . 6.500 3.876 3.520 4.477 . 0 0 "[ . 1 . 2]" 1
664 1 27 ARG H 1 27 ARG QB 3.000 . 4.000 2.126 1.971 2.215 . 0 0 "[ . 1 . 2]" 1
665 1 27 ARG H 1 27 ARG QG 4.000 . 5.000 3.862 3.581 3.972 . 0 0 "[ . 1 . 2]" 1
666 1 27 ARG QB 1 28 GLU H 3.500 . 4.500 2.525 2.393 2.924 . 0 0 "[ . 1 . 2]" 1
667 1 27 ARG QD 1 28 GLU H 5.000 . 6.000 4.885 4.739 5.130 . 0 0 "[ . 1 . 2]" 1
668 1 28 GLU H 1 28 GLU QG 4.000 . 5.000 2.227 1.915 2.500 . 0 0 "[ . 1 . 2]" 1
669 1 28 GLU QB 1 29 LYS H 4.000 . 5.000 2.482 2.268 3.483 . 0 0 "[ . 1 . 2]" 1
670 1 29 LYS H 1 32 MET ME 5.500 . 6.500 6.024 4.915 7.151 0.651 12 3 "[ . 1 + *. - 2]" 1
671 1 30 ASP H 1 32 MET ME 5.500 . 6.500 6.946 6.250 7.782 1.282 14 7 "[ *. 1 *-+. ***2]" 1
672 1 30 ASP HB2 1 144 ALA MB 5.000 . 6.000 3.390 2.076 4.313 . 0 0 "[ . 1 . 2]" 1
673 1 30 ASP HB3 1 144 ALA MB 5.000 . 6.000 4.563 3.536 5.388 . 0 0 "[ . 1 . 2]" 1
674 1 31 LYS H 1 31 LYS QG 3.500 . 4.500 3.032 2.497 3.771 . 0 0 "[ . 1 . 2]" 1
675 1 31 LYS H 1 31 LYS QD 4.500 . 5.500 4.360 4.005 4.681 . 0 0 "[ . 1 . 2]" 1
676 1 31 LYS H 1 32 MET QG 5.000 . 6.000 4.063 3.657 4.778 . 0 0 "[ . 1 . 2]" 1
677 1 31 LYS QG 1 32 MET ME 5.500 . 6.500 5.641 4.214 7.349 0.849 17 3 "[ *. 1 . + -2]" 1
678 1 31 LYS QG 1 32 MET H 5.500 . 6.500 4.880 4.487 5.054 . 0 0 "[ . 1 . 2]" 1
679 1 31 LYS QE 1 32 MET H 4.500 . 5.500 5.392 4.620 6.504 1.004 14 6 "[* ** 1 *+. -2]" 1
680 1 32 MET H 1 146 LEU MD1 5.000 . 6.000 4.856 4.503 5.716 . 0 0 "[ . 1 . 2]" 1
681 1 32 MET H 1 32 MET QG 4.000 . 5.000 2.515 2.202 3.058 . 0 0 "[ . 1 . 2]" 1
682 1 28 GLU QB 1 32 MET H 5.500 . 6.500 4.914 4.530 5.376 . 0 0 "[ . 1 . 2]" 1
683 1 29 LYS QB 1 32 MET ME 6.000 . 7.000 6.368 5.891 7.080 0.080 13 0 "[ . 1 . 2]" 1
684 1 31 LYS HA 1 32 MET ME 5.500 . 6.500 5.985 4.355 7.128 0.628 17 2 "[ -. 1 . + 2]" 1
685 1 28 GLU H 1 32 MET ME 5.500 . 6.500 6.592 5.135 8.210 1.710 18 9 "[ *. 1** *- *+**]" 1
686 1 31 LYS H 1 32 MET ME 5.500 . 6.500 5.538 4.498 6.754 0.254 18 0 "[ . 1 . 2]" 1
687 1 33 LYS H 1 146 LEU MD1 5.000 . 6.000 4.016 3.586 4.308 . 0 0 "[ . 1 . 2]" 1
688 1 33 LYS H 1 146 LEU MD2 5.500 . 6.500 4.904 3.538 5.715 . 0 0 "[ . 1 . 2]" 1
689 1 34 MET H 1 146 LEU MD2 5.500 . 6.500 3.997 3.101 4.481 . 0 0 "[ . 1 . 2]" 1
690 1 16 VAL MG1 1 34 MET ME 5.500 . 6.500 3.376 1.816 4.609 . 0 0 "[ . 1 . 2]" 1
691 1 16 VAL MG2 1 34 MET ME 7.000 . 8.000 5.570 3.974 6.406 . 0 0 "[ . 1 . 2]" 1
692 1 34 MET ME 1 146 LEU HG 5.500 . 6.500 4.934 4.522 6.034 . 0 0 "[ . 1 . 2]" 1
693 1 34 MET ME 1 149 GLN H 5.500 . 6.500 4.462 3.219 5.551 . 0 0 "[ . 1 . 2]" 1
694 1 14 TYR QE 1 34 MET ME 6.000 . 7.000 4.921 4.558 5.523 . 0 0 "[ . 1 . 2]" 1
695 1 14 TYR QD 1 34 MET ME 5.500 . 6.500 3.518 3.189 4.489 . 0 0 "[ . 1 . 2]" 1
696 1 34 MET ME 1 151 GLU HA 5.500 . 6.500 6.106 5.382 7.697 1.197 16 1 "[ . 1 .+ 2]" 1
697 1 34 MET ME 1 153 THR H 6.000 . 7.000 6.862 5.962 7.646 0.646 16 1 "[ . 1 .+ 2]" 1
698 1 34 MET ME 1 35 ALA H 5.500 . 6.500 4.412 2.751 4.982 . 0 0 "[ . 1 . 2]" 1
699 1 35 ALA H 1 146 LEU MD2 5.000 . 6.000 3.970 3.561 4.763 . 0 0 "[ . 1 . 2]" 1
700 1 15 VAL MG1 1 35 ALA H 5.500 . 6.500 2.037 1.814 3.109 . 0 0 "[ . 1 . 2]" 1
701 1 35 ALA MB 1 53 VAL H 5.500 . 6.500 4.960 4.707 6.038 . 0 0 "[ . 1 . 2]" 1
702 1 34 MET HA 1 35 ALA MB 5.500 . 6.500 3.899 3.729 3.947 . 0 0 "[ . 1 . 2]" 1
703 1 15 VAL MG1 1 35 ALA MB 4.500 . 5.500 1.641 1.438 1.834 . 0 0 "[ . 1 . 2]" 1
704 1 35 ALA MB 1 36 MET H 3.500 . 4.500 2.124 2.028 2.519 . 0 0 "[ . 1 . 2]" 1
705 1 36 MET H 1 52 ALA MB 5.500 . 6.500 3.264 2.935 3.854 . 0 0 "[ . 1 . 2]" 1
706 1 36 MET H 1 154 VAL MG1 5.500 . 6.500 5.219 4.963 5.726 . 0 0 "[ . 1 . 2]" 1
707 1 36 MET H 1 53 VAL MG1 5.500 . 6.500 2.961 2.682 3.138 . 0 0 "[ . 1 . 2]" 1
708 1 36 MET ME 1 153 THR HA 4.500 . 5.500 1.687 1.357 2.471 . 0 0 "[ . 1 . 2]" 1
709 1 36 MET ME 1 153 THR HB 4.500 . 5.500 3.657 3.365 4.025 . 0 0 "[ . 1 . 2]" 1
710 1 36 MET ME 1 150 GLU HA 4.500 . 5.500 4.686 3.838 5.115 . 0 0 "[ . 1 . 2]" 1
711 1 14 TYR QE 1 36 MET ME 4.500 . 5.500 2.782 1.966 4.383 . 0 0 "[ . 1 . 2]" 1
712 1 36 MET QG 1 37 ALA H 4.500 . 5.500 4.305 3.787 4.551 . 0 0 "[ . 1 . 2]" 1
713 1 36 MET QB 1 154 VAL MG1 4.500 . 5.500 2.177 1.925 2.615 . 0 0 "[ . 1 . 2]" 1
714 1 37 ALA H 1 154 VAL MG1 5.500 . 6.500 3.269 2.781 4.012 . 0 0 "[ . 1 . 2]" 1
715 1 37 ALA MB 1 38 ARG H 4.500 . 5.500 3.205 3.043 3.315 . 0 0 "[ . 1 . 2]" 1
716 1 38 ARG H 1 49 VAL MG2 4.600 . 5.600 5.283 4.913 5.669 0.069 5 0 "[ . 1 . 2]" 1
717 1 38 ARG H 1 38 ARG QD 5.500 . 6.500 4.142 3.659 4.589 . 0 0 "[ . 1 . 2]" 1
718 1 38 ARG H 1 154 VAL MG1 4.500 . 5.500 4.188 3.827 4.612 . 0 0 "[ . 1 . 2]" 1
719 1 38 ARG HB2 1 154 VAL MG1 5.500 . 6.500 2.914 2.614 3.343 . 0 0 "[ . 1 . 2]" 1
720 1 38 ARG HB3 1 154 VAL MG1 5.500 . 6.500 3.666 3.376 4.557 . 0 0 "[ . 1 . 2]" 1
721 1 39 ILE H 1 39 ILE MG 4.500 . 5.500 3.851 3.796 3.877 . 0 0 "[ . 1 . 2]" 1
722 1 13 TRP HB3 1 39 ILE MD 6.000 . 7.000 5.939 5.432 6.398 . 0 0 "[ . 1 . 2]" 1
723 1 13 TRP HD1 1 39 ILE MD 5.500 . 6.500 3.507 3.097 4.683 . 0 0 "[ . 1 . 2]" 1
724 1 38 ARG HA 1 39 ILE MG 5.500 . 6.500 5.459 5.403 5.510 . 0 0 "[ . 1 . 2]" 1
725 1 41 PHE H 1 41 PHE QD 5.000 . 6.000 2.282 2.192 2.523 . 0 0 "[ . 1 . 2]" 1
726 1 39 ILE MD 1 41 PHE H 6.500 . 7.500 7.139 6.844 7.374 . 0 0 "[ . 1 . 2]" 1
727 1 42 LEU H 1 46 GLU QB 5.500 . 6.500 4.440 3.826 4.770 . 0 0 "[ . 1 . 2]" 1
728 1 42 LEU H 1 42 LEU MD1 4.500 . 5.500 4.165 4.043 4.254 . 0 0 "[ . 1 . 2]" 1
729 1 42 LEU MD1 1 48 LYS H 5.000 . 6.000 5.745 5.408 6.310 0.310 18 0 "[ . 1 . 2]" 1
730 1 42 LEU MD2 1 48 LYS H 5.500 . 6.500 4.272 3.033 5.575 . 0 0 "[ . 1 . 2]" 1
731 1 43 GLY H 1 46 GLU QB 4.000 . 5.000 3.123 2.385 3.495 . 0 0 "[ . 1 . 2]" 1
732 1 43 GLY QA 1 44 GLU H 3.500 . 4.500 2.361 2.332 2.381 . 0 0 "[ . 1 . 2]" 1
733 1 44 GLU H 1 44 GLU QB 3.500 . 4.500 2.518 2.372 2.663 . 0 0 "[ . 1 . 2]" 1
734 1 44 GLU QG 1 45 ASP H 4.500 . 5.500 4.125 3.730 4.442 . 0 0 "[ . 1 . 2]" 1
735 1 44 GLU QB 1 45 ASP H 3.500 . 4.500 2.764 2.295 2.949 . 0 0 "[ . 1 . 2]" 1
736 1 43 GLY QA 1 45 ASP H 3.500 . 4.500 3.253 3.119 3.526 . 0 0 "[ . 1 . 2]" 1
737 1 43 GLY QA 1 46 GLU H 5.500 . 6.500 2.909 2.738 3.142 . 0 0 "[ . 1 . 2]" 1
738 1 46 GLU H 1 46 GLU QG 4.500 . 5.500 4.068 4.006 4.170 . 0 0 "[ . 1 . 2]" 1
739 1 46 GLU H 1 46 GLU QB 3.000 . 4.000 2.528 2.330 2.734 . 0 0 "[ . 1 . 2]" 1
740 1 42 LEU MD1 1 46 GLU H 6.000 . 7.000 4.620 4.045 6.735 . 0 0 "[ . 1 . 2]" 1
741 1 46 GLU QB 1 47 LEU H 4.500 . 5.500 3.538 3.391 3.779 . 0 0 "[ . 1 . 2]" 1
742 1 45 ASP H 1 46 GLU QB 5.500 . 6.500 3.814 3.574 3.976 . 0 0 "[ . 1 . 2]" 1
743 1 46 GLU QB 1 68 LYS H 5.500 . 6.500 4.921 3.934 6.237 . 0 0 "[ . 1 . 2]" 1
744 1 46 GLU QB 1 65 THR MG 5.500 . 6.500 3.701 3.372 4.573 . 0 0 "[ . 1 . 2]" 1
745 1 46 GLU QG 1 47 LEU H 5.500 . 6.500 2.206 1.764 3.145 . 0 0 "[ . 1 . 2]" 1
746 1 42 LEU MD1 1 46 GLU QG 5.500 . 6.500 2.787 1.696 4.957 . 0 0 "[ . 1 . 2]" 1
747 1 46 GLU QG 1 65 THR MG 5.500 . 6.500 1.951 1.479 2.834 . 0 0 "[ . 1 . 2]" 1
748 1 42 LEU HB2 1 46 GLU QG 5.500 . 6.500 2.796 2.451 3.445 . 0 0 "[ . 1 . 2]" 1
749 1 47 LEU H 1 47 LEU MD1 4.770 . 5.770 4.205 4.061 4.297 . 0 0 "[ . 1 . 2]" 1
750 1 39 ILE MD 1 47 LEU HB2 5.500 . 6.500 5.300 5.031 6.008 . 0 0 "[ . 1 . 2]" 1
751 1 48 LYS H 1 48 LYS QE 5.500 . 6.500 5.048 4.408 6.150 . 0 0 "[ . 1 . 2]" 1
752 1 39 ILE MD 1 48 LYS H 5.500 . 6.500 5.676 5.470 5.954 . 0 0 "[ . 1 . 2]" 1
753 1 42 LEU MD1 1 48 LYS HB3 5.500 . 6.500 5.885 4.639 6.575 0.075 19 0 "[ . 1 . 2]" 1
754 1 42 LEU MD1 1 48 LYS HB2 5.500 . 6.500 4.889 3.937 5.983 . 0 0 "[ . 1 . 2]" 1
755 1 42 LEU MD2 1 48 LYS QE 5.500 . 6.500 2.403 1.541 4.589 . 0 0 "[ . 1 . 2]" 1
756 1 42 LEU MD1 1 48 LYS QE 5.500 . 6.500 4.519 3.128 6.026 . 0 0 "[ . 1 . 2]" 1
757 1 49 VAL H 1 49 VAL MG1 4.500 . 5.500 2.893 2.806 2.958 . 0 0 "[ . 1 . 2]" 1
758 1 49 VAL H 1 65 THR MG 5.500 . 6.500 4.834 4.481 5.120 . 0 0 "[ . 1 . 2]" 1
759 1 49 VAL MG1 1 50 SER H 5.000 . 6.000 3.983 3.934 4.070 . 0 0 "[ . 1 . 2]" 1
760 1 39 ILE HA 1 49 VAL MG1 5.500 . 6.500 2.573 2.199 3.122 . 0 0 "[ . 1 . 2]" 1
761 1 39 ILE HA 1 49 VAL MG2 5.500 . 6.500 4.642 4.478 4.875 . 0 0 "[ . 1 . 2]" 1
762 1 49 VAL MG2 1 50 SER H 4.000 . 5.000 3.855 3.666 4.020 . 0 0 "[ . 1 . 2]" 1
763 1 50 SER QB 1 154 VAL MG1 5.500 . 6.500 4.620 3.904 5.859 . 0 0 "[ . 1 . 2]" 1
764 1 50 SER QB 1 63 GLU QG 5.500 . 6.500 4.456 2.286 5.422 . 0 0 "[ . 1 . 2]" 1
765 1 52 ALA H 1 154 VAL MG1 4.500 . 5.500 4.653 4.208 5.038 . 0 0 "[ . 1 . 2]" 1
766 1 52 ALA MB 1 53 VAL H 4.500 . 5.500 3.298 3.076 3.435 . 0 0 "[ . 1 . 2]" 1
767 1 53 VAL H 1 53 VAL MG1 4.500 . 5.500 3.065 2.932 3.130 . 0 0 "[ . 1 . 2]" 1
768 1 57 ASN QB 1 58 GLY H 4.000 . 5.000 3.539 2.944 4.058 . 0 0 "[ . 1 . 2]" 1
769 1 53 VAL MG1 1 62 TRP H 6.000 . 7.000 5.723 5.107 6.290 . 0 0 "[ . 1 . 2]" 1
770 1 53 VAL MG2 1 62 TRP H 5.500 . 6.500 5.235 4.802 5.910 . 0 0 "[ . 1 . 2]" 1
771 1 52 ALA MB 1 62 TRP H 5.500 . 6.500 4.582 3.864 5.168 . 0 0 "[ . 1 . 2]" 1
772 1 62 TRP QB 1 63 GLU H 3.500 . 4.500 3.517 3.257 3.712 . 0 0 "[ . 1 . 2]" 1
773 1 51 TYR QB 1 62 TRP HE1 5.500 . 6.500 6.589 6.084 7.336 0.836 6 2 "[ .+ 1 . - 2]" 1
774 1 62 TRP HE1 1 64 THR MG 6.000 . 7.000 3.687 2.616 5.098 . 0 0 "[ . 1 . 2]" 1
775 1 63 GLU H 1 63 GLU QG 4.000 . 5.000 2.474 1.875 4.082 . 0 0 "[ . 1 . 2]" 1
776 1 63 GLU QG 1 64 THR H 4.500 . 5.500 4.481 2.994 4.971 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU QB 1 64 THR H 4.000 . 5.000 3.195 2.838 3.612 . 0 0 "[ . 1 . 2]" 1
778 1 47 LEU MD1 1 64 THR H 6.500 . 7.500 7.150 6.535 7.557 0.057 16 0 "[ . 1 . 2]" 1
779 1 49 VAL MG1 1 64 THR H 5.500 . 6.500 4.551 4.384 4.839 . 0 0 "[ . 1 . 2]" 1
780 1 64 THR MG 1 65 THR H 4.500 . 5.500 2.539 1.871 3.573 . 0 0 "[ . 1 . 2]" 1
781 1 67 LYS H 1 67 LYS QG 4.500 . 5.500 3.919 3.806 4.046 . 0 0 "[ . 1 . 2]" 1
782 1 67 LYS QD 1 68 LYS H 4.000 . 5.000 4.503 4.079 4.898 . 0 0 "[ . 1 . 2]" 1
783 1 67 LYS QG 1 68 LYS H 4.000 . 5.000 3.479 3.108 3.851 . 0 0 "[ . 1 . 2]" 1
784 1 69 THR H 1 69 THR MG 4.000 . 5.000 3.909 3.731 3.959 . 0 0 "[ . 1 . 2]" 1
785 1 69 THR H 1 75 VAL MG1 5.500 . 6.500 4.416 3.554 5.073 . 0 0 "[ . 1 . 2]" 1
786 1 69 THR MG 1 71 ASP H 5.500 . 6.500 3.325 2.981 3.904 . 0 0 "[ . 1 . 2]" 1
787 1 69 THR MG 1 77 TYR QB 5.500 . 6.500 2.605 2.000 3.161 . 0 0 "[ . 1 . 2]" 1
788 1 69 THR MG 1 76 TYR HA 5.500 . 6.500 4.328 3.946 5.145 . 0 0 "[ . 1 . 2]" 1
789 1 69 THR MG 1 77 TYR HA 5.500 . 6.500 4.737 4.239 5.334 . 0 0 "[ . 1 . 2]" 1
790 1 69 THR MG 1 70 SER H 5.500 . 6.500 3.813 3.548 3.997 . 0 0 "[ . 1 . 2]" 1
791 1 69 THR MG 1 70 SER QB 6.000 . 7.000 5.246 4.745 5.603 . 0 0 "[ . 1 . 2]" 1
792 1 72 ASP H 1 87 VAL MG1 6.000 . 7.000 5.360 4.390 6.683 . 0 0 "[ . 1 . 2]" 1
793 1 73 GLY H 1 87 VAL MG1 5.500 . 6.500 5.740 4.769 6.862 0.362 15 0 "[ . 1 . 2]" 1
794 1 74 GLU H 1 74 GLU QG 3.500 . 4.500 3.501 2.902 4.276 . 0 0 "[ . 1 . 2]" 1
795 1 74 GLU QB 1 75 VAL MG2 4.500 . 5.500 4.395 3.211 4.646 . 0 0 "[ . 1 . 2]" 1
796 1 75 VAL H 1 75 VAL MG2 4.000 . 5.000 2.624 2.337 3.174 . 0 0 "[ . 1 . 2]" 1
797 1 75 VAL MG1 1 76 TYR H 4.500 . 5.500 1.995 1.819 2.680 . 0 0 "[ . 1 . 2]" 1
798 1 71 ASP HB2 1 75 VAL MG2 4.500 . 5.500 3.648 2.589 5.236 . 0 0 "[ . 1 . 2]" 1
799 1 71 ASP HB3 1 75 VAL MG2 4.500 . 5.500 2.354 1.826 3.799 . 0 0 "[ . 1 . 2]" 1
800 1 76 TYR H 1 87 VAL MG1 6.000 . 7.000 5.246 4.927 5.654 . 0 0 "[ . 1 . 2]" 1
801 1 69 THR MG 1 76 TYR H 5.500 . 6.500 5.376 4.858 6.539 0.039 19 0 "[ . 1 . 2]" 1
802 1 76 TYR HB3 1 85 VAL MG2 5.500 . 6.500 3.328 2.906 4.850 . 0 0 "[ . 1 . 2]" 1
803 1 76 TYR HB2 1 85 VAL MG2 5.500 . 6.500 2.199 1.700 3.984 . 0 0 "[ . 1 . 2]" 1
804 1 69 THR MG 1 77 TYR H 5.500 . 6.500 4.244 3.674 5.494 . 0 0 "[ . 1 . 2]" 1
805 1 64 THR MG 1 78 SER QB 5.500 . 6.500 3.787 2.724 5.822 . 0 0 "[ . 1 . 2]" 1
806 1 78 SER QB 1 79 GLU H 5.000 . 6.000 3.796 3.078 3.947 . 0 0 "[ . 1 . 2]" 1
807 1 78 SER QB 1 83 LYS H 4.500 . 5.500 2.951 1.956 3.874 . 0 0 "[ . 1 . 2]" 1
808 1 64 THR MG 1 79 GLU H 6.000 . 7.000 7.144 5.223 8.555 1.555 3 6 "[ + .* 1- .** *2]" 1
809 1 80 GLU H 1 80 GLU QG 4.000 . 5.000 2.229 1.827 2.701 . 0 0 "[ . 1 . 2]" 1
810 1 80 GLU H 1 80 GLU QB 3.000 . 4.000 2.490 2.360 2.655 . 0 0 "[ . 1 . 2]" 1
811 1 80 GLU H 1 81 ALA MB 5.000 . 6.000 4.435 4.032 4.687 . 0 0 "[ . 1 . 2]" 1
812 1 64 THR MG 1 80 GLU H 6.000 . 7.000 6.396 4.647 7.761 0.761 19 1 "[ . 1 . +2]" 1
813 1 80 GLU QB 1 81 ALA H 3.500 . 4.500 2.935 2.627 3.136 . 0 0 "[ . 1 . 2]" 1
814 1 64 THR MG 1 81 ALA H 4.500 . 5.500 5.188 3.858 6.437 0.937 19 1 "[ . 1 . +2]" 1
815 1 64 THR MG 1 81 ALA MB 5.500 . 6.500 3.037 2.456 3.869 . 0 0 "[ . 1 . 2]" 1
816 1 78 SER QB 1 81 ALA MB 5.500 . 6.500 2.097 1.410 2.805 . 0 0 "[ . 1 . 2]" 1
817 1 79 GLU H 1 81 ALA MB 6.000 . 7.000 5.199 4.251 5.859 . 0 0 "[ . 1 . 2]" 1
818 1 81 ALA MB 1 82 LYS H 3.500 . 4.500 3.290 3.059 3.739 . 0 0 "[ . 1 . 2]" 1
819 1 81 ALA MB 1 83 LYS H 5.500 . 6.500 3.441 3.188 3.902 . 0 0 "[ . 1 . 2]" 1
820 1 81 ALA MB 1 84 LYS H 6.500 . 7.500 6.304 6.157 6.623 . 0 0 "[ . 1 . 2]" 1
821 1 81 ALA MB 1 83 LYS HA 5.500 . 6.500 4.968 4.854 5.099 . 0 0 "[ . 1 . 2]" 1
822 1 64 THR MG 1 82 LYS H 6.500 . 7.500 6.686 5.865 7.622 0.122 19 0 "[ . 1 . 2]" 1
823 1 82 LYS H 1 103 VAL QG 6.000 . 7.000 6.147 3.871 7.197 0.197 12 0 "[ . 1 . 2]" 1
824 1 64 THR MG 1 83 LYS H 6.000 . 7.000 6.618 5.774 8.094 1.094 19 2 "[ . 1 . - +2]" 1
825 1 83 LYS H 1 103 VAL QG 6.500 . 7.500 5.504 3.621 6.374 . 0 0 "[ . 1 . 2]" 1
826 1 84 LYS QG 1 85 VAL H 4.000 . 5.000 3.885 2.375 4.438 . 0 0 "[ . 1 . 2]" 1
827 1 84 LYS H 1 101 THR MG 5.500 . 6.500 4.210 3.116 4.681 . 0 0 "[ . 1 . 2]" 1
828 1 76 TYR H 1 85 VAL MG2 5.500 . 6.500 2.625 1.981 4.753 . 0 0 "[ . 1 . 2]" 1
829 1 85 VAL H 1 85 VAL MG2 4.500 . 5.500 2.225 2.071 2.902 . 0 0 "[ . 1 . 2]" 1
830 1 75 VAL MG1 1 85 VAL H 5.500 . 6.500 3.278 3.035 3.630 . 0 0 "[ . 1 . 2]" 1
831 1 85 VAL MG1 1 86 GLU H 4.500 . 5.500 3.825 2.688 4.209 . 0 0 "[ . 1 . 2]" 1
832 1 84 LYS HA 1 85 VAL MG2 5.500 . 6.500 3.533 3.356 3.691 . 0 0 "[ . 1 . 2]" 1
833 1 85 VAL MG2 1 86 GLU H 5.500 . 6.500 3.959 3.438 4.195 . 0 0 "[ . 1 . 2]" 1
834 1 86 GLU H 1 98 ILE MG 5.500 . 6.500 2.932 2.388 3.174 . 0 0 "[ . 1 . 2]" 1
835 1 87 VAL H 1 87 VAL MG1 4.000 . 5.000 1.808 1.634 1.977 . 0 0 "[ . 1 . 2]" 1
836 1 87 VAL MG2 1 88 LEU H 3.500 . 4.500 3.115 2.818 3.355 . 0 0 "[ . 1 . 2]" 1
837 1 86 GLU HA 1 87 VAL MG2 5.500 . 6.500 5.467 5.432 5.515 . 0 0 "[ . 1 . 2]" 1
838 1 87 VAL MG2 1 98 ILE HA 5.500 . 6.500 3.508 2.999 3.855 . 0 0 "[ . 1 . 2]" 1
839 1 87 VAL MG2 1 89 ASP H 4.000 . 5.000 2.986 2.315 3.315 . 0 0 "[ . 1 . 2]" 1
840 1 87 VAL MG2 1 89 ASP HA 5.500 . 6.500 3.351 3.106 3.583 . 0 0 "[ . 1 . 2]" 1
841 1 87 VAL MG2 1 90 THR H 5.000 . 6.000 3.902 3.647 4.055 . 0 0 "[ . 1 . 2]" 1
842 1 88 LEU H 1 98 ILE MD 5.500 . 6.500 2.931 2.299 3.846 . 0 0 "[ . 1 . 2]" 1
843 1 88 LEU QB 1 89 ASP H 4.000 . 5.000 2.335 2.146 2.893 . 0 0 "[ . 1 . 2]" 1
844 1 88 LEU MD1 1 89 ASP H 4.500 . 5.500 4.308 4.080 4.765 . 0 0 "[ . 1 . 2]" 1
845 1 88 LEU MD1 1 99 TYR QB 5.500 . 6.500 2.024 1.597 2.561 . 0 0 "[ . 1 . 2]" 1
846 1 88 LEU MD1 1 99 TYR H 5.500 . 6.500 3.752 3.333 4.454 . 0 0 "[ . 1 . 2]" 1
847 1 88 LEU MD1 1 99 TYR HA 5.500 . 6.500 3.597 2.911 4.587 . 0 0 "[ . 1 . 2]" 1
848 1 88 LEU MD2 1 99 TYR QB 5.500 . 6.500 2.178 1.645 3.242 . 0 0 "[ . 1 . 2]" 1
849 1 89 ASP H 1 90 THR MG 6.000 . 7.000 4.881 4.286 5.029 . 0 0 "[ . 1 . 2]" 1
850 1 89 ASP H 1 98 ILE MD 6.500 . 7.500 3.356 2.848 3.942 . 0 0 "[ . 1 . 2]" 1
851 1 89 ASP HB2 1 97 VAL MG2 5.500 . 6.500 3.283 2.854 4.074 . 0 0 "[ . 1 . 2]" 1
852 1 89 ASP HB2 1 132 LEU QD 5.500 . 6.500 4.123 3.392 4.764 . 0 0 "[ . 1 . 2]" 1
853 1 89 ASP HB3 1 97 VAL MG2 5.500 . 6.500 2.294 1.509 3.131 . 0 0 "[ . 1 . 2]" 1
854 1 89 ASP HB3 1 132 LEU QD 5.500 . 6.500 4.095 3.576 4.889 . 0 0 "[ . 1 . 2]" 1
855 1 88 LEU QB 1 89 ASP HB3 5.500 . 6.500 3.857 3.586 4.173 . 0 0 "[ . 1 . 2]" 1
856 1 90 THR H 1 90 THR MG 4.000 . 5.000 2.464 2.405 2.517 . 0 0 "[ . 1 . 2]" 1
857 1 90 THR H 1 97 VAL MG1 6.000 . 7.000 6.509 6.046 6.940 . 0 0 "[ . 1 . 2]" 1
858 1 90 THR MG 1 92 TYR QE 5.500 . 6.500 4.467 4.057 4.780 . 0 0 "[ . 1 . 2]" 1
859 1 90 THR MG 1 96 ALA HA 5.500 . 6.500 4.839 4.524 5.164 . 0 0 "[ . 1 . 2]" 1
860 1 89 ASP HA 1 90 THR MG 5.500 . 6.500 3.688 3.503 3.776 . 0 0 "[ . 1 . 2]" 1
861 1 90 THR MG 1 92 TYR H 5.500 . 6.500 4.632 4.376 5.110 . 0 0 "[ . 1 . 2]" 1
862 1 90 THR MG 1 92 TYR HA 5.500 . 6.500 4.448 4.127 4.811 . 0 0 "[ . 1 . 2]" 1
863 1 90 THR MG 1 92 TYR QB 6.500 . 7.500 5.527 5.309 5.830 . 0 0 "[ . 1 . 2]" 1
864 1 87 VAL MG2 1 90 THR MG 5.500 . 6.500 2.582 2.213 2.782 . 0 0 "[ . 1 . 2]" 1
865 1 90 THR MG 1 91 ASP HB3 6.000 . 7.000 5.545 5.412 6.066 . 0 0 "[ . 1 . 2]" 1
866 1 90 THR MG 1 91 ASP H 4.500 . 5.500 3.756 3.583 4.350 . 0 0 "[ . 1 . 2]" 1
867 1 90 THR MG 1 96 ALA MB 5.500 . 6.500 3.396 3.269 3.500 . 0 0 "[ . 1 . 2]" 1
868 1 91 ASP H 1 96 ALA MB 4.500 . 5.500 2.695 2.209 3.497 . 0 0 "[ . 1 . 2]" 1
869 1 91 ASP H 1 97 VAL MG1 7.000 . 8.000 6.276 5.861 6.658 . 0 0 "[ . 1 . 2]" 1
870 1 96 ALA MB 1 97 VAL H 4.000 . 5.000 2.719 2.467 3.191 . 0 0 "[ . 1 . 2]" 1
871 1 96 ALA MB 1 115 TYR H 4.000 . 5.000 3.513 3.132 3.987 . 0 0 "[ . 1 . 2]" 1
872 1 96 ALA MB 1 115 TYR HA 5.000 . 6.000 5.385 4.958 5.928 . 0 0 "[ . 1 . 2]" 1
873 1 96 ALA MB 1 115 TYR HB2 5.500 . 6.500 4.887 4.507 5.236 . 0 0 "[ . 1 . 2]" 1
874 1 96 ALA MB 1 115 TYR HB3 5.500 . 6.500 4.730 4.191 5.261 . 0 0 "[ . 1 . 2]" 1
875 1 90 THR HB 1 96 ALA MB 3.500 . 4.500 2.247 2.006 2.442 . 0 0 "[ . 1 . 2]" 1
876 1 90 THR MG 1 97 VAL H 5.500 . 6.500 5.135 4.920 5.408 . 0 0 "[ . 1 . 2]" 1
877 1 97 VAL H 1 97 VAL MG1 4.500 . 5.500 2.948 2.577 3.020 . 0 0 "[ . 1 . 2]" 1
878 1 97 VAL MG2 1 129 PHE QB 5.500 . 6.500 4.818 3.874 5.704 . 0 0 "[ . 1 . 2]" 1
879 1 97 VAL MG1 1 129 PHE QB 5.500 . 6.500 2.801 2.355 3.464 . 0 0 "[ . 1 . 2]" 1
880 1 97 VAL MG1 1 128 ILE MG 5.000 . 6.000 3.313 2.751 4.448 . 0 0 "[ . 1 . 2]" 1
881 1 97 VAL MG2 1 128 ILE MG 5.500 . 6.500 3.663 3.149 4.349 . 0 0 "[ . 1 . 2]" 1
882 1 97 VAL MG1 1 98 ILE H 5.500 . 6.500 3.984 3.862 4.132 . 0 0 "[ . 1 . 2]" 1
883 1 97 VAL MG2 1 98 ILE H 5.500 . 6.500 4.109 3.767 4.206 . 0 0 "[ . 1 . 2]" 1
884 1 98 ILE H 1 98 ILE MG 4.500 . 5.500 3.862 3.815 3.885 . 0 0 "[ . 1 . 2]" 1
885 1 98 ILE H 1 98 ILE MD 5.000 . 6.000 3.342 2.886 3.821 . 0 0 "[ . 1 . 2]" 1
886 1 98 ILE MG 1 99 TYR H 5.000 . 6.000 2.436 2.334 2.721 . 0 0 "[ . 1 . 2]" 1
887 1 87 VAL HA 1 98 ILE MD 4.500 . 5.500 1.948 1.470 2.384 . 0 0 "[ . 1 . 2]" 1
888 1 87 VAL HA 1 98 ILE MG 5.500 . 6.500 1.914 1.170 3.080 . 0 0 "[ . 1 . 2]" 1
889 1 98 ILE MD 1 99 TYR H 5.500 . 6.500 3.936 3.637 4.080 . 0 0 "[ . 1 . 2]" 1
890 1 100 ALA H 1 112 MET QG 5.500 . 6.500 4.214 3.139 5.607 . 0 0 "[ . 1 . 2]" 1
891 1 84 LYS QG 1 100 ALA H 6.500 . 7.500 6.442 5.602 7.800 0.300 7 0 "[ . 1 . 2]" 1
892 1 100 ALA MB 1 101 THR H 4.500 . 5.500 2.743 2.144 3.169 . 0 0 "[ . 1 . 2]" 1
893 1 86 GLU H 1 100 ALA MB 5.500 . 6.500 4.281 3.884 4.711 . 0 0 "[ . 1 . 2]" 1
894 1 85 VAL HA 1 100 ALA MB 5.500 . 6.500 3.263 2.799 3.836 . 0 0 "[ . 1 . 2]" 1
895 1 99 TYR HA 1 100 ALA MB 5.500 . 6.500 3.924 3.791 3.981 . 0 0 "[ . 1 . 2]" 1
896 1 102 ARG H 1 108 THR MG 5.500 . 6.500 3.625 2.648 4.231 . 0 0 "[ . 1 . 2]" 1
897 1 103 VAL H 1 103 VAL QG 4.000 . 5.000 2.365 1.966 2.799 . 0 0 "[ . 1 . 2]" 1
898 1 103 VAL QG 1 104 LYS H 4.000 . 5.000 2.624 2.233 3.473 . 0 0 "[ . 1 . 2]" 1
899 1 103 VAL QG 1 107 ARG H 5.000 . 6.000 3.626 3.121 4.857 . 0 0 "[ . 1 . 2]" 1
900 1 85 VAL MG1 1 101 THR H 5.500 . 6.500 3.508 2.624 5.045 . 0 0 "[ . 1 . 2]" 1
901 1 85 VAL MG2 1 101 THR H 6.000 . 7.000 5.266 3.705 5.652 . 0 0 "[ . 1 . 2]" 1
902 1 101 THR MG 1 102 ARG H 4.000 . 5.000 2.334 1.714 3.192 . 0 0 "[ . 1 . 2]" 1
903 1 100 ALA HA 1 101 THR MG 5.500 . 6.500 5.279 4.327 5.436 . 0 0 "[ . 1 . 2]" 1
904 1 102 ARG H 1 102 ARG QD 5.500 . 6.500 3.584 2.239 5.315 . 0 0 "[ . 1 . 2]" 1
905 1 103 VAL QG 1 106 GLY H 5.500 . 6.500 4.038 3.616 5.330 . 0 0 "[ . 1 . 2]" 1
906 1 107 ARG H 1 107 ARG QB 3.000 . 4.000 2.554 2.392 2.707 . 0 0 "[ . 1 . 2]" 1
907 1 107 ARG H 1 107 ARG QD 4.500 . 5.500 4.892 3.779 5.166 . 0 0 "[ . 1 . 2]" 1
908 1 107 ARG QD 1 108 THR H 5.500 . 6.500 4.719 3.922 5.396 . 0 0 "[ . 1 . 2]" 1
909 1 107 ARG QG 1 108 THR H 5.500 . 6.500 2.735 2.368 3.380 . 0 0 "[ . 1 . 2]" 1
910 1 108 THR H 1 108 THR MG 4.000 . 5.000 3.787 3.157 3.956 . 0 0 "[ . 1 . 2]" 1
911 1 109 LEU QD 1 110 HIS H 4.500 . 5.500 2.158 1.676 4.332 . 0 0 "[ . 1 . 2]" 1
912 1 21 ASN QB 1 109 LEU QD 5.500 . 6.050 2.511 1.368 4.863 . 0 0 "[ . 1 . 2]" 1
913 1 102 ARG HA 1 109 LEU QD 5.500 . 6.500 5.678 3.708 6.407 . 0 0 "[ . 1 . 2]" 1
914 1 22 THR HA 1 109 LEU QD 6.000 . 7.000 4.054 3.384 6.022 . 0 0 "[ . 1 . 2]" 1
915 1 102 ARG H 1 109 LEU QD 5.500 . 6.500 4.415 3.830 4.797 . 0 0 "[ . 1 . 2]" 1
916 1 101 THR MG 1 110 HIS HA 5.500 . 6.500 2.889 2.067 4.026 . 0 0 "[ . 1 . 2]" 1
917 1 100 ALA MB 1 110 HIS HA 5.500 . 6.500 4.754 4.266 5.225 . 0 0 "[ . 1 . 2]" 1
918 1 110 HIS HA 1 111 MET ME 4.500 . 5.500 6.070 5.191 7.158 1.658 2 10 "[ + *-* * * * .* **2]" 1
919 1 20 SER HA 1 111 MET ME 4.500 . 5.500 3.359 2.659 4.555 . 0 0 "[ . 1 . 2]" 1
920 1 20 SER QB 1 111 MET ME 5.500 . 6.500 2.838 1.850 4.064 . 0 0 "[ . 1 . 2]" 1
921 1 112 MET H 1 112 MET QG 4.500 . 5.500 3.590 2.689 4.183 . 0 0 "[ . 1 . 2]" 1
922 1 112 MET QG 1 113 ARG H 5.000 . 6.000 3.033 2.027 4.098 . 0 0 "[ . 1 . 2]" 1
923 1 112 MET QG 1 132 LEU QD 5.500 . 6.500 5.425 4.654 6.315 . 0 0 "[ . 1 . 2]" 1
924 1 112 MET QG 1 143 VAL MG2 6.500 . 7.500 5.271 3.958 6.405 . 0 0 "[ . 1 . 2]" 1
925 1 99 TYR HA 1 112 MET QG 5.500 . 6.500 2.983 2.109 4.364 . 0 0 "[ . 1 . 2]" 1
926 1 112 MET ME 1 113 ARG H 5.500 . 6.500 4.486 2.994 5.762 . 0 0 "[ . 1 . 2]" 1
927 1 112 MET ME 1 133 ALA H 5.000 . 6.000 4.758 3.143 6.533 0.533 19 1 "[ . 1 . +2]" 1
928 1 112 MET ME 1 132 LEU H 5.500 . 6.500 6.023 4.079 8.570 2.070 19 3 "[ . - * . +2]" 1
929 1 97 VAL HA 1 112 MET ME 5.500 . 6.500 5.713 3.320 8.668 2.168 10 7 "[ * .-** + * . *2]" 1
930 1 99 TYR HA 1 112 MET ME 5.500 . 6.500 4.926 3.596 6.313 . 0 0 "[ . 1 . 2]" 1
931 1 97 VAL HB 1 112 MET ME 5.500 . 6.500 4.090 1.621 7.655 1.155 19 3 "[ . * - . +2]" 1
932 1 99 TYR QB 1 112 MET ME 5.500 . 6.500 4.861 3.331 6.594 0.094 12 0 "[ . 1 . 2]" 1
933 1 112 MET ME 1 133 ALA HA 4.500 . 5.500 4.135 2.546 5.916 0.416 1 0 "[ . 1 . 2]" 1
934 1 112 MET ME 1 132 LEU QD 4.500 . 5.500 4.078 2.402 6.542 1.042 19 2 "[ . 1 - . +2]" 1
935 1 19 ALA MB 1 113 ARG H 5.500 . 6.500 4.529 4.040 5.560 . 0 0 "[ . 1 . 2]" 1
936 1 114 LEU QB 1 115 TYR H 5.000 . 6.000 3.807 3.699 3.947 . 0 0 "[ . 1 . 2]" 1
937 1 114 LEU QD 1 115 TYR H 4.500 . 5.500 2.387 1.976 3.241 . 0 0 "[ . 1 . 2]" 1
938 1 114 LEU QD 1 129 PHE QB 5.500 . 5.500 1.726 1.425 2.422 . 0 0 "[ . 1 . 2]" 1
939 1 97 VAL H 1 114 LEU QD 5.500 . 6.500 4.557 3.730 4.980 . 0 0 "[ . 1 . 2]" 1
940 1 114 LEU QD 1 129 PHE H 5.000 . 6.000 3.208 2.956 3.690 . 0 0 "[ . 1 . 2]" 1
941 1 17 ALA H 1 114 LEU QD 5.500 . 6.500 3.824 3.212 4.276 . 0 0 "[ . 1 . 2]" 1
942 1 114 LEU QD 1 129 PHE QD 5.500 . 6.500 2.209 1.643 3.241 . 0 0 "[ . 1 . 2]" 1
943 1 114 LEU QD 1 129 PHE QE 5.500 . 6.500 3.851 3.445 4.495 . 0 0 "[ . 1 . 2]" 1
944 1 114 LEU QD 1 129 PHE HA 5.500 . 6.500 3.601 3.232 4.273 . 0 0 "[ . 1 . 2]" 1
945 1 114 LEU QD 1 126 THR HB 4.500 . 5.500 5.310 4.798 5.689 0.189 15 0 "[ . 1 . 2]" 1
946 1 114 LEU QD 1 122 SER H 5.500 . 6.500 4.204 3.855 4.599 . 0 0 "[ . 1 . 2]" 1
947 1 17 ALA HA 1 114 LEU QD 6.000 . 7.000 4.360 3.972 4.692 . 0 0 "[ . 1 . 2]" 1
948 1 16 VAL HB 1 114 LEU QD 6.000 . 7.000 4.464 3.934 4.849 . 0 0 "[ . 1 . 2]" 1
949 1 16 VAL MG1 1 116 SER H 5.500 . 6.500 3.270 2.727 3.938 . 0 0 "[ . 1 . 2]" 1
950 1 16 VAL MG2 1 116 SER H 5.500 . 6.500 3.403 2.885 4.640 . 0 0 "[ . 1 . 2]" 1
951 1 96 ALA MB 1 116 SER H 5.500 . 6.500 5.728 4.725 6.571 0.071 18 0 "[ . 1 . 2]" 1
952 1 117 ARG H 1 117 ARG QD 5.000 . 6.000 4.216 3.373 4.700 . 0 0 "[ . 1 . 2]" 1
953 1 16 VAL MG1 1 118 SER H 5.000 . 6.000 5.023 4.688 6.045 0.045 18 0 "[ . 1 . 2]" 1
954 1 16 VAL MG2 1 118 SER H 5.500 . 6.500 5.852 5.468 6.621 0.121 18 0 "[ . 1 . 2]" 1
955 1 14 TYR QE 1 119 PRO HB2 5.500 . 6.500 4.555 4.281 5.616 . 0 0 "[ . 1 . 2]" 1
956 1 14 TYR QE 1 119 PRO HG2 5.500 . 6.500 4.716 4.387 5.136 . 0 0 "[ . 1 . 2]" 1
957 1 14 TYR QE 1 119 PRO HG3 5.500 . 6.500 3.307 2.982 4.310 . 0 0 "[ . 1 . 2]" 1
958 1 14 TYR QE 1 119 PRO HD2 5.500 . 6.500 4.074 3.121 4.362 . 0 0 "[ . 1 . 2]" 1
959 1 14 TYR QE 1 119 PRO HD3 5.500 . 6.500 2.780 1.483 3.077 . 0 0 "[ . 1 . 2]" 1
960 1 16 VAL MG2 1 120 GLU H 5.500 . 6.500 4.563 4.164 5.564 . 0 0 "[ . 1 . 2]" 1
961 1 121 VAL H 1 121 VAL MG1 4.000 . 5.000 3.743 3.678 3.881 . 0 0 "[ . 1 . 2]" 1
962 1 121 VAL H 1 121 VAL MG2 3.500 . 4.500 2.132 2.014 2.781 . 0 0 "[ . 1 . 2]" 1
963 1 121 VAL MG1 1 122 SER H 3.500 . 4.500 2.627 1.911 3.454 . 0 0 "[ . 1 . 2]" 1
964 1 121 VAL MG2 1 122 SER H 4.500 . 5.500 4.151 4.039 4.437 . 0 0 "[ . 1 . 2]" 1
965 1 124 ALA MB 1 125 ALA H 3.500 . 4.500 2.431 2.123 2.552 . 0 0 "[ . 1 . 2]" 1
966 1 124 ALA MB 1 125 ALA HA 5.500 . 6.500 3.820 3.744 3.850 . 0 0 "[ . 1 . 2]" 1
967 1 124 ALA MB 1 126 THR H 5.500 . 6.500 4.416 4.289 4.570 . 0 0 "[ . 1 . 2]" 1
968 1 95 TYR HB2 1 125 ALA MB 5.500 . 6.500 2.508 1.949 3.355 . 0 0 "[ . 1 . 2]" 1
969 1 95 TYR HB3 1 125 ALA MB 5.500 . 6.500 2.296 1.506 3.370 . 0 0 "[ . 1 . 2]" 1
970 1 95 TYR QD 1 125 ALA MB 5.500 . 6.500 2.541 2.195 2.825 . 0 0 "[ . 1 . 2]" 1
971 1 95 TYR QE 1 125 ALA MB 5.500 . 6.500 3.477 2.744 4.173 . 0 0 "[ . 1 . 2]" 1
972 1 125 ALA MB 1 126 THR H 3.500 . 4.500 2.590 2.320 2.790 . 0 0 "[ . 1 . 2]" 1
973 1 114 LEU QD 1 125 ALA MB 5.500 . 6.500 1.657 1.278 2.013 . 0 0 "[ . 1 . 2]" 1
974 1 16 VAL MG2 1 125 ALA MB 5.500 . 6.500 3.589 3.026 3.823 . 0 0 "[ . 1 . 2]" 1
975 1 96 ALA H 1 125 ALA MB 5.500 . 6.500 4.282 3.896 5.115 . 0 0 "[ . 1 . 2]" 1
976 1 114 LEU QD 1 126 THR H 5.500 . 6.500 3.888 3.528 4.254 . 0 0 "[ . 1 . 2]" 1
977 1 126 THR HB 1 129 PHE QB 6.000 . 7.000 5.548 5.213 5.986 . 0 0 "[ . 1 . 2]" 1
978 1 126 THR HB 1 145 MET ME 6.000 . 7.000 4.123 3.559 5.202 . 0 0 "[ . 1 . 2]" 1
979 1 126 THR MG 1 127 ALA H 4.000 . 5.000 3.475 3.185 3.846 . 0 0 "[ . 1 . 2]" 1
980 1 126 THR MG 1 145 MET H 6.000 . 7.000 6.403 4.754 6.719 . 0 0 "[ . 1 . 2]" 1
981 1 126 THR MG 1 129 PHE QB 5.500 . 6.500 4.180 3.855 4.560 . 0 0 "[ . 1 . 2]" 1
982 1 126 THR MG 1 145 MET ME 5.500 . 6.500 1.984 1.587 2.566 . 0 0 "[ . 1 . 2]" 1
983 1 114 LEU QD 1 126 THR MG 5.500 . 6.500 4.431 3.785 4.891 . 0 0 "[ . 1 . 2]" 1
984 1 127 ALA MB 1 128 ILE H 5.500 . 6.500 2.615 2.396 2.707 . 0 0 "[ . 1 . 2]" 1
985 1 127 ALA MB 1 129 PHE QB 6.500 . 7.500 5.562 5.374 5.658 . 0 0 "[ . 1 . 2]" 1
986 1 127 ALA MB 1 130 ARG H 5.500 . 6.500 4.685 4.540 5.047 . 0 0 "[ . 1 . 2]" 1
987 1 127 ALA MB 1 129 PHE H 5.500 . 6.500 4.778 4.581 4.959 . 0 0 "[ . 1 . 2]" 1
988 1 128 ILE H 1 128 ILE MD 4.500 . 5.500 3.313 3.040 3.468 . 0 0 "[ . 1 . 2]" 1
989 1 128 ILE MG 1 129 PHE H 4.500 . 5.500 3.131 2.969 3.399 . 0 0 "[ . 1 . 2]" 1
990 1 128 ILE MG 1 129 PHE HA 4.500 . 5.500 3.184 3.029 3.431 . 0 0 "[ . 1 . 2]" 1
991 1 125 ALA HA 1 128 ILE MG 5.500 . 6.500 3.898 3.614 4.371 . 0 0 "[ . 1 . 2]" 1
992 1 128 ILE MG 1 129 PHE QB 5.500 . 6.500 3.970 3.701 4.277 . 0 0 "[ . 1 . 2]" 1
993 1 128 ILE MD 1 131 LYS HA 6.000 . 7.000 6.169 5.756 6.693 . 0 0 "[ . 1 . 2]" 1
994 1 125 ALA HA 1 128 ILE MD 6.000 . 7.000 4.877 4.567 5.213 . 0 0 "[ . 1 . 2]" 1
995 1 128 ILE MD 1 129 PHE QB 6.500 . 7.500 5.862 5.814 5.908 . 0 0 "[ . 1 . 2]" 1
996 1 129 PHE H 1 129 PHE QB 3.500 . 4.500 2.145 2.093 2.177 . 0 0 "[ . 1 . 2]" 1
997 1 129 PHE QB 1 130 ARG H 3.500 . 4.500 2.554 1.970 2.732 . 0 0 "[ . 1 . 2]" 1
998 1 129 PHE QB 1 131 LYS H 5.000 . 6.000 4.842 4.518 4.964 . 0 0 "[ . 1 . 2]" 1
999 1 130 ARG H 1 130 ARG QG 4.000 . 5.000 3.895 3.592 3.957 . 0 0 "[ . 1 . 2]" 1
1000 1 129 PHE QD 1 130 ARG H 5.500 . 6.500 3.566 2.613 3.896 . 0 0 "[ . 1 . 2]" 1
1001 1 129 PHE QE 1 130 ARG H 5.500 . 6.500 5.768 4.912 6.061 . 0 0 "[ . 1 . 2]" 1
1002 1 126 THR MG 1 130 ARG H 5.500 . 6.500 4.312 4.015 4.608 . 0 0 "[ . 1 . 2]" 1
1003 1 114 LEU QD 1 130 ARG H 5.500 . 6.500 4.696 4.149 5.023 . 0 0 "[ . 1 . 2]" 1
1004 1 131 LYS H 1 131 LYS QB 3.000 . 4.000 2.382 2.213 2.509 . 0 0 "[ . 1 . 2]" 1
1005 1 131 LYS H 1 132 LEU QD 5.000 . 6.000 4.960 4.843 5.106 . 0 0 "[ . 1 . 2]" 1
1006 1 131 LYS HA 1 133 ALA MB 5.500 . 6.500 4.904 4.642 5.162 . 0 0 "[ . 1 . 2]" 1
1007 1 131 LYS QB 1 132 LEU H 3.500 . 4.500 2.424 2.196 2.580 . 0 0 "[ . 1 . 2]" 1
1008 1 132 LEU H 1 132 LEU QD 3.500 . 4.500 3.026 2.944 3.083 . 0 0 "[ . 1 . 2]" 1
1009 1 132 LEU QB 1 133 ALA H 5.500 . 6.500 2.540 2.436 2.704 . 0 0 "[ . 1 . 2]" 1
1010 1 133 ALA HA 1 138 TYR QD 5.500 . 6.500 4.189 3.954 4.337 . 0 0 "[ . 1 . 2]" 1
1011 1 129 PHE QE 1 133 ALA HA 5.500 . 6.500 5.441 4.045 6.400 . 0 0 "[ . 1 . 2]" 1
1012 1 133 ALA HA 1 138 TYR QB 5.500 . 6.500 2.988 2.636 3.438 . 0 0 "[ . 1 . 2]" 1
1013 1 133 ALA MB 1 134 GLY H 4.000 . 5.000 2.663 2.515 2.764 . 0 0 "[ . 1 . 2]" 1
1014 1 133 ALA MB 1 135 GLU H 4.500 . 5.500 4.521 4.405 4.689 . 0 0 "[ . 1 . 2]" 1
1015 1 133 ALA MB 1 136 ARG H 4.500 . 5.500 4.587 4.463 4.808 . 0 0 "[ . 1 . 2]" 1
1016 1 112 MET ME 1 133 ALA MB 5.500 . 6.500 3.733 2.380 5.115 . 0 0 "[ . 1 . 2]" 1
1017 1 133 ALA MB 1 138 TYR HA 5.500 . 6.500 4.773 4.182 5.295 . 0 0 "[ . 1 . 2]" 1
1018 1 133 ALA MB 1 138 TYR QB 4.000 . 5.000 2.439 1.864 2.950 . 0 0 "[ . 1 . 2]" 1
1019 1 130 ARG HA 1 133 ALA MB 3.500 . 4.500 2.126 1.839 2.313 . 0 0 "[ . 1 . 2]" 1
1020 1 130 ARG HB3 1 133 ALA MB 5.500 . 6.500 4.607 4.381 4.803 . 0 0 "[ . 1 . 2]" 1
1021 1 133 ALA MB 1 138 TYR QD 3.500 . 4.500 2.605 2.368 2.794 . 0 0 "[ . 1 . 2]" 1
1022 1 133 ALA MB 1 138 TYR QE 5.500 . 6.500 3.103 2.884 3.346 . 0 0 "[ . 1 . 2]" 1
1023 1 133 ALA MB 1 143 VAL HB 5.500 . 6.500 4.591 3.630 5.306 . 0 0 "[ . 1 . 2]" 1
1024 1 135 GLU H 1 135 GLU QG 3.500 . 4.500 3.855 2.903 3.964 . 0 0 "[ . 1 . 2]" 1
1025 1 135 GLU H 1 135 GLU QB 3.000 . 4.000 2.141 2.085 2.192 . 0 0 "[ . 1 . 2]" 1
1026 1 135 GLU H 1 136 ARG QB 4.500 . 5.500 4.889 4.587 5.059 . 0 0 "[ . 1 . 2]" 1
1027 1 135 GLU QG 1 136 ARG H 5.500 . 6.500 3.775 2.794 4.246 . 0 0 "[ . 1 . 2]" 1
1028 1 136 ARG H 1 136 ARG QD 4.500 . 5.500 3.702 2.188 4.115 . 0 0 "[ . 1 . 2]" 1
1029 1 136 ARG H 1 136 ARG QB 3.000 . 4.000 2.537 2.273 2.776 . 0 0 "[ . 1 . 2]" 1
1030 1 136 ARG QB 1 137 ASN H 4.000 . 5.000 3.754 3.573 3.848 . 0 0 "[ . 1 . 2]" 1
1031 1 134 GLY QA 1 137 ASN H 5.500 . 6.500 3.416 3.227 3.606 . 0 0 "[ . 1 . 2]" 1
1032 1 133 ALA MB 1 137 ASN H 5.500 . 6.500 5.762 5.357 5.997 . 0 0 "[ . 1 . 2]" 1
1033 1 138 TYR H 1 138 TYR QB 3.500 . 4.500 2.156 2.062 2.202 . 0 0 "[ . 1 . 2]" 1
1034 1 134 GLY QA 1 138 TYR H 4.500 . 5.500 2.746 2.339 3.006 . 0 0 "[ . 1 . 2]" 1
1035 1 133 ALA MB 1 138 TYR H 4.500 . 5.500 4.052 3.638 4.397 . 0 0 "[ . 1 . 2]" 1
1036 1 138 TYR HA 1 138 TYR QD 3.500 . 4.500 3.747 3.672 3.802 . 0 0 "[ . 1 . 2]" 1
1037 1 139 THR H 1 139 THR MG 4.000 . 5.000 3.162 2.913 3.748 . 0 0 "[ . 1 . 2]" 1
1038 1 138 TYR QD 1 139 THR H 5.500 . 6.500 3.426 3.130 3.732 . 0 0 "[ . 1 . 2]" 1
1039 1 139 THR H 1 143 VAL MG2 5.500 . 6.500 4.067 3.630 4.740 . 0 0 "[ . 1 . 2]" 1
1040 1 134 GLY QA 1 139 THR H 6.000 . 7.000 6.230 5.774 6.754 . 0 0 "[ . 1 . 2]" 1
1041 1 139 THR MG 1 140 ASP H 4.000 . 5.000 3.447 2.467 3.706 . 0 0 "[ . 1 . 2]" 1
1042 1 139 THR MG 1 141 GLU H 5.000 . 6.000 4.510 3.401 4.906 . 0 0 "[ . 1 . 2]" 1
1043 1 139 THR MG 1 142 MET ME 5.500 . 6.500 3.381 2.705 4.175 . 0 0 "[ . 1 . 2]" 1
1044 1 138 TYR HA 1 139 THR MG 5.500 . 6.500 3.933 3.523 5.089 . 0 0 "[ . 1 . 2]" 1
1045 1 140 ASP H 1 140 ASP QB 3.000 . 4.000 2.088 2.009 2.171 . 0 0 "[ . 1 . 2]" 1
1046 1 140 ASP H 1 143 VAL MG2 6.000 . 7.000 5.693 5.009 6.844 . 0 0 "[ . 1 . 2]" 1
1047 1 140 ASP HA 1 143 VAL MG2 5.500 . 6.500 4.240 3.486 5.832 . 0 0 "[ . 1 . 2]" 1
1048 1 140 ASP QB 1 141 GLU H 3.500 . 4.500 2.486 1.997 3.093 . 0 0 "[ . 1 . 2]" 1
1049 1 140 ASP QB 1 143 VAL H 5.500 . 6.500 5.196 4.860 5.697 . 0 0 "[ . 1 . 2]" 1
1050 1 141 GLU H 1 141 GLU QG 3.500 . 4.500 2.595 1.652 3.893 . 0 0 "[ . 1 . 2]" 1
1051 1 141 GLU QG 1 142 MET H 4.500 . 5.500 4.440 4.142 4.690 . 0 0 "[ . 1 . 2]" 1
1052 1 142 MET H 1 142 MET QB 3.500 . 4.500 2.172 2.123 2.228 . 0 0 "[ . 1 . 2]" 1
1053 1 26 LEU MD1 1 142 MET HG2 5.500 . 6.500 4.221 3.805 5.525 . 0 0 "[ . 1 . 2]" 1
1054 1 26 LEU MD2 1 142 MET HG3 5.500 . 6.500 2.904 2.200 3.383 . 0 0 "[ . 1 . 2]" 1
1055 1 21 ASN HA 1 142 MET ME 4.500 . 5.500 3.406 2.282 4.140 . 0 0 "[ . 1 . 2]" 1
1056 1 21 ASN QB 1 142 MET ME 4.500 . 5.500 4.717 3.473 5.612 0.112 20 0 "[ . 1 . 2]" 1
1057 1 23 GLU HA 1 142 MET ME 5.500 . 6.500 6.661 5.842 7.505 1.005 13 4 "[ . - + * *2]" 1
1058 1 143 VAL H 1 143 VAL MG2 4.500 . 5.500 2.626 2.444 2.962 . 0 0 "[ . 1 . 2]" 1
1059 1 142 MET ME 1 143 VAL H 5.500 . 6.500 5.524 5.104 5.883 . 0 0 "[ . 1 . 2]" 1
1060 1 143 VAL MG1 1 144 ALA H 4.000 . 5.000 2.195 1.999 2.834 . 0 0 "[ . 1 . 2]" 1
1061 1 143 VAL MG1 1 145 MET H 5.000 . 6.000 4.055 3.685 4.666 . 0 0 "[ . 1 . 2]" 1
1062 1 130 ARG HA 1 143 VAL MG1 5.500 . 6.500 4.486 3.817 4.914 . 0 0 "[ . 1 . 2]" 1
1063 1 142 MET HG3 1 143 VAL MG1 5.500 . 6.500 6.536 6.158 6.691 0.191 4 0 "[ . 1 . 2]" 1
1064 1 143 VAL MG2 1 144 ALA H 5.000 . 6.000 3.921 3.741 4.239 . 0 0 "[ . 1 . 2]" 1
1065 1 143 VAL MG2 1 145 MET ME 5.500 . 6.500 5.650 3.642 6.824 0.324 7 0 "[ . 1 . 2]" 1
1066 1 144 ALA MB 1 145 MET H 3.890 . 4.890 3.132 2.820 3.360 . 0 0 "[ . 1 . 2]" 1
1067 1 18 LEU H 1 144 ALA MB 4.500 . 5.500 3.373 3.102 4.382 . 0 0 "[ . 1 . 2]" 1
1068 1 18 LEU HA 1 144 ALA MB 5.500 . 6.500 4.439 3.951 5.945 . 0 0 "[ . 1 . 2]" 1
1069 1 29 LYS H 1 144 ALA MB 5.500 . 6.500 5.259 4.753 6.566 0.066 20 0 "[ . 1 . 2]" 1
1070 1 29 LYS QB 1 144 ALA MB 5.000 . 6.000 2.791 2.268 4.551 . 0 0 "[ . 1 . 2]" 1
1071 1 29 LYS QE 1 144 ALA MB 5.000 . 6.000 4.385 3.813 5.549 . 0 0 "[ . 1 . 2]" 1
1072 1 145 MET H 1 145 MET QB 3.500 . 4.500 2.586 2.415 3.154 . 0 0 "[ . 1 . 2]" 1
1073 1 17 ALA HA 1 145 MET ME 5.500 . 6.500 4.812 3.932 5.667 . 0 0 "[ . 1 . 2]" 1
1074 1 145 MET ME 1 146 LEU H 5.000 . 6.000 4.722 3.262 6.121 0.121 11 0 "[ . 1 . 2]" 1
1075 1 126 THR HA 1 145 MET ME 5.500 . 6.500 3.268 2.220 4.448 . 0 0 "[ . 1 . 2]" 1
1076 1 114 LEU QD 1 145 MET ME 5.500 . 6.500 4.398 3.517 5.137 . 0 0 "[ . 1 . 2]" 1
1077 1 146 LEU H 1 146 LEU MD1 4.500 . 5.500 3.676 3.459 3.992 . 0 0 "[ . 1 . 2]" 1
1078 1 34 MET HA 1 146 LEU MD2 5.500 . 6.500 2.479 1.876 2.975 . 0 0 "[ . 1 . 2]" 1
1079 1 146 LEU MD1 1 147 PRO QD 5.500 . 6.500 2.799 2.398 3.024 . 0 0 "[ . 1 . 2]" 1
1080 1 34 MET HA 1 146 LEU MD1 5.500 . 6.500 3.625 2.941 4.641 . 0 0 "[ . 1 . 2]" 1
1081 1 31 LYS QE 1 146 LEU MD1 6.000 . 7.000 6.549 5.192 7.982 0.982 13 2 "[ . 1 + - 2]" 1
1082 1 16 VAL HB 1 146 LEU MD1 5.500 . 6.500 6.311 5.602 7.187 0.687 19 1 "[ . 1 . +2]" 1
1083 1 147 PRO QG 1 148 ARG H 4.000 . 5.000 3.669 2.820 4.372 . 0 0 "[ . 1 . 2]" 1
1084 1 146 LEU MD1 1 147 PRO QG 5.500 . 6.500 4.381 3.973 4.679 . 0 0 "[ . 1 . 2]" 1
1085 1 148 ARG H 1 148 ARG QD 4.000 . 5.000 1.898 1.656 2.156 . 0 0 "[ . 1 . 2]" 1
1086 1 148 ARG H 1 148 ARG QB 3.000 . 4.000 2.314 2.282 2.382 . 0 0 "[ . 1 . 2]" 1
1087 1 148 ARG QB 1 149 GLN H 4.500 . 5.500 4.025 3.914 4.081 . 0 0 "[ . 1 . 2]" 1
1088 1 148 ARG QG 1 149 GLN H 4.500 . 5.500 4.413 4.297 4.503 . 0 0 "[ . 1 . 2]" 1
1089 1 149 GLN QB 1 150 GLU H 3.500 . 4.500 4.028 3.883 4.270 . 0 0 "[ . 1 . 2]" 1
1090 1 149 GLN H 1 149 GLN QB 3.500 . 4.500 2.529 2.230 2.745 . 0 0 "[ . 1 . 2]" 1
1091 1 151 GLU H 1 151 GLU QB 3.000 . 4.000 2.782 2.319 3.181 . 0 0 "[ . 1 . 2]" 1
1092 1 151 GLU H 1 153 THR MG 5.000 . 6.000 4.475 3.661 6.031 0.031 18 0 "[ . 1 . 2]" 1
1093 1 151 GLU QB 1 152 CYS H 4.000 . 5.000 2.499 2.185 3.159 . 0 0 "[ . 1 . 2]" 1
1094 1 36 MET QG 1 154 VAL H 5.500 . 6.500 3.216 2.651 4.161 . 0 0 "[ . 1 . 2]" 1
1095 1 154 VAL H 1 154 VAL MG1 3.500 . 4.500 1.924 1.866 1.986 . 0 0 "[ . 1 . 2]" 1
1096 1 154 VAL MG1 1 155 ASP H 4.000 . 5.000 3.861 3.658 3.999 . 0 0 "[ . 1 . 2]" 1
1097 1 154 VAL MG2 1 156 GLU H 5.000 . 6.000 5.087 4.982 5.157 . 0 0 "[ . 1 . 2]" 1
1098 1 154 VAL MG2 1 155 ASP HA 5.500 . 6.500 4.116 3.944 4.201 . 0 0 "[ . 1 . 2]" 1
1099 1 157 VAL H 1 157 VAL QG 4.000 . 5.000 2.684 2.537 2.823 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 124
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 82.896
_Distance_constraint_stats_list.Viol_max 0.379
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0410
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.243 0.074 19 0 "[ . 1 . 2]"
1 17 ALA 0.208 0.079 20 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.193 0.121 18 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.009 0.009 13 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.595 0.104 15 0 "[ . 1 . 2]"
1 28 GLU 0.188 0.080 18 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.595 0.104 15 0 "[ . 1 . 2]"
1 32 MET 0.179 0.080 18 0 "[ . 1 . 2]"
1 35 ALA 0.243 0.074 19 0 "[ . 1 . 2]"
1 36 MET 0.192 0.033 1 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.557 0.379 20 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.192 0.033 1 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.557 0.379 20 0 "[ . 1 . 2]"
1 67 LYS 0.293 0.100 18 0 "[ . 1 . 2]"
1 76 TYR 0.004 0.004 3 0 "[ . 1 . 2]"
1 77 TYR 0.293 0.100 18 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.814 0.090 7 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.004 0.004 3 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.003 0.003 18 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.814 0.090 7 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.193 0.121 18 0 "[ . 1 . 2]"
1 113 ARG 0.003 0.003 18 0 "[ . 1 . 2]"
1 114 LEU 0.208 0.079 20 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.047 0.022 12 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.005 0.005 9 0 "[ . 1 . 2]"
1 132 LEU 0.849 0.100 13 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.005 0.005 9 0 "[ . 1 . 2]"
1 136 ARG 0.802 0.100 13 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ALA 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 47 LEU N 1 66 PHE O 3.000 . 3.000 2.867 2.690 3.379 0.379 20 0 "[ . 1 . 2]" 2
2 1 15 VAL H 1 35 ALA O 2.500 . 2.500 2.348 1.961 2.489 . 0 0 "[ . 1 . 2]" 2
3 1 15 VAL N 1 35 ALA O 3.500 . 3.500 3.160 2.775 3.312 . 0 0 "[ . 1 . 2]" 2
4 1 14 TYR H 1 116 SER O 2.500 . 2.500 2.273 1.649 2.466 . 0 0 "[ . 1 . 2]" 2
5 1 14 TYR N 1 116 SER O 3.500 . 3.500 3.245 2.644 3.456 . 0 0 "[ . 1 . 2]" 2
6 1 13 TRP H 1 37 ALA O 2.500 . 2.500 1.588 1.515 1.741 . 0 0 "[ . 1 . 2]" 2
7 1 13 TRP N 1 37 ALA O 3.500 . 3.500 2.542 2.490 2.702 . 0 0 "[ . 1 . 2]" 2
8 1 17 ALA H 1 114 LEU O 2.500 . 2.500 2.366 2.067 2.576 0.076 18 0 "[ . 1 . 2]" 2
9 1 17 ALA N 1 114 LEU O 3.500 . 3.500 3.136 2.904 3.502 0.002 17 0 "[ . 1 . 2]" 2
10 1 18 LEU H 1 144 ALA O 2.500 . 2.500 1.977 1.440 2.298 . 0 0 "[ . 1 . 2]" 2
11 1 18 LEU N 1 144 ALA O 3.500 . 3.500 2.773 2.359 3.106 . 0 0 "[ . 1 . 2]" 2
12 1 19 ALA H 1 112 MET O 2.500 . 2.500 1.993 1.682 2.621 0.121 18 0 "[ . 1 . 2]" 2
13 1 19 ALA N 1 112 MET O 3.500 . 3.500 2.701 2.517 3.248 . 0 0 "[ . 1 . 2]" 2
14 1 20 SER H 1 142 MET O 2.500 . 2.500 1.907 1.701 2.429 . 0 0 "[ . 1 . 2]" 2
15 1 20 SER N 1 142 MET O 3.500 . 3.500 2.820 2.647 3.101 . 0 0 "[ . 1 . 2]" 2
16 1 28 GLU O 1 32 MET H 2.500 . 2.500 2.281 1.814 2.580 0.080 18 0 "[ . 1 . 2]" 2
17 1 28 GLU O 1 32 MET N 3.500 . 3.500 2.890 2.582 3.366 . 0 0 "[ . 1 . 2]" 2
18 1 27 ARG O 1 31 LYS H 2.500 . 2.500 2.469 2.110 2.604 0.104 15 0 "[ . 1 . 2]" 2
19 1 27 ARG O 1 31 LYS N 3.500 . 3.500 3.313 2.988 3.581 0.081 15 0 "[ . 1 . 2]" 2
20 1 26 LEU O 1 30 ASP H 2.500 . 2.500 1.832 1.566 2.351 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU O 1 30 ASP N 3.500 . 3.500 2.793 2.554 3.307 . 0 0 "[ . 1 . 2]" 2
22 1 25 PHE O 1 29 LYS H 2.500 . 2.500 1.673 1.498 2.477 . 0 0 "[ . 1 . 2]" 2
23 1 25 PHE O 1 29 LYS N 3.500 . 3.500 2.618 2.493 3.186 . 0 0 "[ . 1 . 2]" 2
24 1 24 PHE O 1 28 GLU H 2.500 . 2.500 1.902 1.663 2.509 0.009 13 0 "[ . 1 . 2]" 2
25 1 24 PHE O 1 28 GLU N 3.500 . 3.500 2.855 2.641 3.442 . 0 0 "[ . 1 . 2]" 2
26 1 23 GLU O 1 27 ARG H 2.500 . 2.500 1.853 1.489 2.390 . 0 0 "[ . 1 . 2]" 2
27 1 23 GLU O 1 27 ARG N 3.500 . 3.500 2.812 2.423 3.244 . 0 0 "[ . 1 . 2]" 2
28 1 15 VAL O 1 35 ALA H 2.500 . 2.500 2.469 1.886 2.574 0.074 19 0 "[ . 1 . 2]" 2
29 1 15 VAL O 1 35 ALA N 3.500 . 3.500 3.364 2.847 3.560 0.060 19 0 "[ . 1 . 2]" 2
30 1 36 MET H 1 52 ALA O 2.500 . 2.500 1.788 1.627 2.161 . 0 0 "[ . 1 . 2]" 2
31 1 36 MET N 1 52 ALA O 3.500 . 3.500 2.589 2.495 2.808 . 0 0 "[ . 1 . 2]" 2
32 1 13 TRP O 1 37 ALA H 2.500 . 2.500 2.092 1.771 2.302 . 0 0 "[ . 1 . 2]" 2
33 1 13 TRP O 1 37 ALA N 3.500 . 3.500 2.841 2.703 2.910 . 0 0 "[ . 1 . 2]" 2
34 1 38 ARG H 1 50 SER O 2.500 . 2.500 1.865 1.724 2.034 . 0 0 "[ . 1 . 2]" 2
35 1 38 ARG N 1 50 SER O 3.500 . 3.500 2.804 2.647 2.989 . 0 0 "[ . 1 . 2]" 2
36 1 42 LEU H 1 46 GLU O 2.500 . 2.500 2.443 2.296 2.482 . 0 0 "[ . 1 . 2]" 2
37 1 42 LEU N 1 46 GLU O 3.500 . 3.500 3.083 2.960 3.346 . 0 0 "[ . 1 . 2]" 2
38 1 49 VAL H 1 64 THR O 2.500 . 2.500 1.767 1.591 2.208 . 0 0 "[ . 1 . 2]" 2
39 1 49 VAL N 1 64 THR O 3.500 . 3.500 2.692 2.526 3.051 . 0 0 "[ . 1 . 2]" 2
40 1 38 ARG O 1 50 SER H 2.500 . 2.500 1.541 1.449 1.831 . 0 0 "[ . 1 . 2]" 2
41 1 38 ARG O 1 50 SER N 3.500 . 3.500 2.521 2.429 2.765 . 0 0 "[ . 1 . 2]" 2
42 1 51 TYR H 1 62 TRP O 2.500 . 2.500 1.564 1.438 2.045 . 0 0 "[ . 1 . 2]" 2
43 1 36 MET O 1 52 ALA H 2.500 . 2.500 2.458 2.257 2.533 0.033 1 0 "[ . 1 . 2]" 2
44 1 36 MET O 1 52 ALA N 3.500 . 3.500 3.432 3.227 3.515 0.015 7 0 "[ . 1 . 2]" 2
45 1 53 VAL H 1 60 ARG O 2.500 . 2.500 1.681 1.516 1.925 . 0 0 "[ . 1 . 2]" 2
46 1 53 VAL N 1 60 ARG O 3.500 . 3.500 2.642 2.504 2.885 . 0 0 "[ . 1 . 2]" 2
47 1 53 VAL O 1 60 ARG H 2.500 . 2.500 1.687 1.557 1.919 . 0 0 "[ . 1 . 2]" 2
48 1 53 VAL O 1 60 ARG N 3.500 . 3.500 2.647 2.544 2.806 . 0 0 "[ . 1 . 2]" 2
49 1 51 TYR O 1 62 TRP H 2.500 . 2.500 1.961 1.634 2.321 . 0 0 "[ . 1 . 2]" 2
50 1 51 TYR O 1 62 TRP N 3.500 . 3.500 2.791 2.539 3.110 . 0 0 "[ . 1 . 2]" 2
51 1 49 VAL O 1 64 THR H 2.500 . 2.500 1.863 1.600 2.314 . 0 0 "[ . 1 . 2]" 2
52 1 49 VAL O 1 64 THR N 3.500 . 3.500 2.749 2.581 3.073 . 0 0 "[ . 1 . 2]" 2
53 1 67 LYS H 1 77 TYR O 2.500 . 2.500 2.122 1.732 2.470 . 0 0 "[ . 1 . 2]" 2
54 1 67 LYS N 1 77 TYR O 3.500 . 3.500 3.090 2.692 3.452 . 0 0 "[ . 1 . 2]" 2
55 1 76 TYR H 1 85 VAL O 2.500 . 2.500 2.021 1.742 2.504 0.004 3 0 "[ . 1 . 2]" 2
56 1 76 TYR N 1 85 VAL O 3.500 . 3.500 2.986 2.730 3.453 . 0 0 "[ . 1 . 2]" 2
57 1 67 LYS O 1 77 TYR H 2.500 . 2.500 2.302 1.931 2.600 0.100 18 0 "[ . 1 . 2]" 2
58 1 67 LYS O 1 77 TYR N 3.500 . 3.500 3.262 2.848 3.555 0.055 18 0 "[ . 1 . 2]" 2
59 1 78 SER H 1 83 LYS O 2.500 . 2.500 1.644 1.486 1.940 . 0 0 "[ . 1 . 2]" 2
60 1 78 SER N 1 83 LYS O 3.500 . 3.500 2.597 2.451 2.778 . 0 0 "[ . 1 . 2]" 2
61 1 86 GLU H 1 99 TYR O 2.500 . 2.500 1.699 1.456 2.195 . 0 0 "[ . 1 . 2]" 2
62 1 86 GLU N 1 99 TYR O 3.500 . 3.500 2.625 2.441 2.867 . 0 0 "[ . 1 . 2]" 2
63 1 84 LYS H 1 101 THR O 2.500 . 2.500 1.683 1.453 2.330 . 0 0 "[ . 1 . 2]" 2
64 1 84 LYS N 1 101 THR O 3.500 . 3.500 2.669 2.453 3.301 . 0 0 "[ . 1 . 2]" 2
65 1 76 TYR O 1 85 VAL H 2.500 . 2.500 1.963 1.726 2.425 . 0 0 "[ . 1 . 2]" 2
66 1 76 TYR O 1 85 VAL N 3.500 . 3.500 2.947 2.718 3.412 . 0 0 "[ . 1 . 2]" 2
67 1 89 ASP H 1 97 VAL O 2.500 . 2.500 2.214 1.969 2.484 . 0 0 "[ . 1 . 2]" 2
68 1 89 ASP N 1 97 VAL O 3.500 . 3.500 3.192 2.955 3.468 . 0 0 "[ . 1 . 2]" 2
69 1 91 ASP H 1 95 TYR O 2.500 . 2.500 2.050 1.804 2.382 . 0 0 "[ . 1 . 2]" 2
70 1 91 ASP N 1 95 TYR O 3.500 . 3.500 2.957 2.797 3.201 . 0 0 "[ . 1 . 2]" 2
71 1 96 ALA H 1 115 TYR O 2.500 . 2.500 2.051 1.768 2.387 . 0 0 "[ . 1 . 2]" 2
72 1 96 ALA N 1 115 TYR O 3.500 . 3.500 2.954 2.704 3.279 . 0 0 "[ . 1 . 2]" 2
73 1 89 ASP O 1 97 VAL H 2.500 . 2.500 1.746 1.560 2.132 . 0 0 "[ . 1 . 2]" 2
74 1 89 ASP O 1 97 VAL N 3.500 . 3.500 2.698 2.538 3.004 . 0 0 "[ . 1 . 2]" 2
75 1 98 ILE H 1 113 ARG O 2.500 . 2.500 1.920 1.603 2.503 0.003 18 0 "[ . 1 . 2]" 2
76 1 98 ILE N 1 113 ARG O 3.500 . 3.500 2.804 2.569 3.116 . 0 0 "[ . 1 . 2]" 2
77 1 86 GLU O 1 99 TYR H 2.500 . 2.500 1.740 1.562 2.226 . 0 0 "[ . 1 . 2]" 2
78 1 86 GLU O 1 99 TYR N 3.500 . 3.500 2.707 2.515 3.124 . 0 0 "[ . 1 . 2]" 2
79 1 100 ALA H 1 111 MET O 2.500 . 2.500 2.062 1.469 2.463 . 0 0 "[ . 1 . 2]" 2
80 1 100 ALA N 1 111 MET O 3.500 . 3.500 2.872 2.434 3.137 . 0 0 "[ . 1 . 2]" 2
81 1 84 LYS O 1 101 THR H 2.500 . 2.500 1.780 1.510 2.187 . 0 0 "[ . 1 . 2]" 2
82 1 84 LYS O 1 101 THR N 3.500 . 3.500 2.701 2.497 3.099 . 0 0 "[ . 1 . 2]" 2
83 1 102 ARG H 1 109 LEU O 2.500 . 2.500 1.795 1.518 2.229 . 0 0 "[ . 1 . 2]" 2
84 1 102 ARG N 1 109 LEU O 3.500 . 3.500 2.719 2.423 3.138 . 0 0 "[ . 1 . 2]" 2
85 1 82 LYS O 1 103 VAL H 2.500 . 2.500 2.506 2.150 2.590 0.090 7 0 "[ . 1 . 2]" 2
86 1 82 LYS O 1 103 VAL N 3.500 . 3.500 3.304 3.002 3.472 . 0 0 "[ . 1 . 2]" 2
87 1 104 LYS H 1 107 ARG O 2.500 . 2.500 1.622 1.479 2.150 . 0 0 "[ . 1 . 2]" 2
88 1 104 LYS N 1 107 ARG O 3.500 . 3.500 2.533 2.456 2.713 . 0 0 "[ . 1 . 2]" 2
89 1 102 ARG O 1 109 LEU H 2.500 . 2.500 1.677 1.431 2.268 . 0 0 "[ . 1 . 2]" 2
90 1 102 ARG O 1 109 LEU N 3.500 . 3.500 2.639 2.352 3.251 . 0 0 "[ . 1 . 2]" 2
91 1 100 ALA O 1 111 MET H 2.500 . 2.500 1.804 1.532 2.288 . 0 0 "[ . 1 . 2]" 2
92 1 100 ALA O 1 111 MET N 3.500 . 3.500 2.751 2.391 3.280 . 0 0 "[ . 1 . 2]" 2
93 1 19 ALA O 1 112 MET H 2.500 . 2.500 2.074 1.571 2.444 . 0 0 "[ . 1 . 2]" 2
94 1 19 ALA O 1 112 MET N 3.500 . 3.500 2.846 2.510 3.393 . 0 0 "[ . 1 . 2]" 2
95 1 98 ILE O 1 113 ARG H 2.500 . 2.500 2.014 1.646 2.465 . 0 0 "[ . 1 . 2]" 2
96 1 98 ILE O 1 113 ARG N 3.500 . 3.500 2.930 2.622 3.319 . 0 0 "[ . 1 . 2]" 2
97 1 17 ALA O 1 114 LEU H 2.500 . 2.500 2.352 2.012 2.579 0.079 20 0 "[ . 1 . 2]" 2
98 1 17 ALA O 1 114 LEU N 3.500 . 3.500 3.315 2.966 3.523 0.023 20 0 "[ . 1 . 2]" 2
99 1 96 ALA O 1 115 TYR H 2.500 . 2.500 1.888 1.610 2.235 . 0 0 "[ . 1 . 2]" 2
100 1 96 ALA O 1 115 TYR N 3.500 . 3.500 2.805 2.590 3.052 . 0 0 "[ . 1 . 2]" 2
101 1 14 TYR O 1 116 SER H 2.500 . 2.500 1.796 1.720 1.878 . 0 0 "[ . 1 . 2]" 2
102 1 14 TYR O 1 116 SER N 3.500 . 3.500 2.695 2.544 2.777 . 0 0 "[ . 1 . 2]" 2
103 1 132 LEU O 1 136 ARG H 2.500 . 2.500 2.538 2.473 2.600 0.100 13 0 "[ . 1 . 2]" 2
104 1 132 LEU O 1 136 ARG N 3.500 . 3.500 3.305 3.241 3.508 0.008 13 0 "[ . 1 . 2]" 2
105 1 131 LYS O 1 135 GLU H 2.500 . 2.500 2.308 1.962 2.505 0.005 9 0 "[ . 1 . 2]" 2
106 1 131 LYS O 1 135 GLU N 3.500 . 3.500 3.166 2.871 3.355 . 0 0 "[ . 1 . 2]" 2
107 1 130 ARG O 1 134 GLY H 2.500 . 2.500 1.808 1.611 2.165 . 0 0 "[ . 1 . 2]" 2
108 1 130 ARG O 1 134 GLY N 3.500 . 3.500 2.700 2.567 2.942 . 0 0 "[ . 1 . 2]" 2
109 1 129 PHE O 1 133 ALA H 2.500 . 2.500 1.977 1.675 2.322 . 0 0 "[ . 1 . 2]" 2
110 1 129 PHE O 1 133 ALA N 3.500 . 3.500 2.933 2.604 3.273 . 0 0 "[ . 1 . 2]" 2
111 1 128 ILE O 1 132 LEU H 2.500 . 2.500 2.234 1.906 2.522 0.022 12 0 "[ . 1 . 2]" 2
112 1 128 ILE O 1 132 LEU N 3.500 . 3.500 3.199 2.900 3.507 0.007 16 0 "[ . 1 . 2]" 2
113 1 127 ALA O 1 131 LYS H 2.500 . 2.500 1.886 1.677 2.270 . 0 0 "[ . 1 . 2]" 2
114 1 127 ALA O 1 131 LYS N 3.500 . 3.500 2.842 2.664 3.206 . 0 0 "[ . 1 . 2]" 2
115 1 126 THR O 1 130 ARG H 2.500 . 2.500 2.083 1.817 2.369 . 0 0 "[ . 1 . 2]" 2
116 1 126 THR O 1 130 ARG N 3.500 . 3.500 3.008 2.793 3.319 . 0 0 "[ . 1 . 2]" 2
117 1 125 ALA O 1 129 PHE H 2.500 . 2.500 1.829 1.693 2.289 . 0 0 "[ . 1 . 2]" 2
118 1 125 ALA O 1 129 PHE N 3.500 . 3.500 2.819 2.684 3.273 . 0 0 "[ . 1 . 2]" 2
119 1 124 ALA O 1 128 ILE H 2.500 . 2.500 1.829 1.595 1.998 . 0 0 "[ . 1 . 2]" 2
120 1 124 ALA O 1 128 ILE N 3.500 . 3.500 2.794 2.594 2.931 . 0 0 "[ . 1 . 2]" 2
121 1 123 PRO O 1 127 ALA H 2.500 . 2.500 1.784 1.649 2.001 . 0 0 "[ . 1 . 2]" 2
122 1 123 PRO O 1 127 ALA N 3.500 . 3.500 2.756 2.631 2.928 . 0 0 "[ . 1 . 2]" 2
123 1 18 LEU O 1 144 ALA H 2.500 . 2.500 1.607 1.513 1.883 . 0 0 "[ . 1 . 2]" 2
124 1 18 LEU O 1 144 ALA N 3.500 . 3.500 2.529 2.464 2.715 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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