NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608294 |
5ks5   |
30135 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ks5
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 1048
_Distance_constraint_stats_list.Viol_count 945
_Distance_constraint_stats_list.Viol_total 7170.096
_Distance_constraint_stats_list.Viol_max 3.055
_Distance_constraint_stats_list.Viol_rms 0.1240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.3794
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 6.859 2.141 20 4 "[ . * *- . +]"
1 4 MET 13.543 2.121 10 9 "[* * .* **+ ** - 2]"
1 5 SER 0.489 0.489 10 0 "[ . 1 . 2]"
1 6 PRO 6.027 2.590 11 4 "[ . 1+ *. *- 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 1.316 0.185 13 0 "[ . 1 . 2]"
1 9 CYS 1.187 0.837 18 1 "[ . 1 . + 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TRP 9.940 1.291 9 7 "[**- * +1 * . *2]"
1 13 LEU 4.063 1.291 9 2 "[ * . +1 . 2]"
1 14 GLU 11.819 2.292 7 6 "[** .-+ *1 . *2]"
1 15 ALA 23.647 1.915 20 11 "[*** *-* *1 * .* *+]"
1 16 LEU 8.999 2.438 14 3 "[ - * 1 +. 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 6.347 2.292 7 4 "[* .-+* 1 . 2]"
1 19 TYR 9.072 2.438 14 3 "[ - * 1 +. 2]"
1 20 ASN 4.091 1.184 8 3 "[* .- + 1 . 2]"
1 21 THR 11.276 3.055 14 7 "[ ** 1 -+. ***2]"
1 22 ALA 10.275 2.679 15 6 "[ ** 1 -*+ *2]"
1 23 LEU 5.638 1.333 17 4 "[ * . 1* -. + 2]"
1 24 GLU 14.406 3.055 14 7 "[ **. 1-* +. ** 2]"
1 25 MET 2.816 0.890 14 2 "[ - 1 +. 2]"
1 26 THR 3.677 0.890 14 2 "[ - 1 +. 2]"
1 27 ASP 1.043 0.304 4 0 "[ . 1 . 2]"
1 28 CYS 0.272 0.130 3 0 "[ . 1 . 2]"
1 29 ASP 3.973 1.253 11 1 "[ . 1+ . 2]"
1 30 GLU 1.902 0.718 11 2 "[ . 1+- . 2]"
1 31 GLY 0.718 0.130 9 0 "[ . 1 . 2]"
1 32 GLY 9.832 1.253 11 9 "[ * *.* 1+* *** * 2]"
1 33 GLU 29.019 2.590 11 16 "[****.* ***+***-*** 2]"
1 34 TYR 10.686 2.141 20 5 "[ . * ** - +]"
1 35 ASP 3.603 0.552 12 1 "[ . 1 + . 2]"
1 36 GLY 6.256 0.884 12 1 "[ . 1 + . 2]"
1 37 MET 31.607 2.062 18 14 "[***-.* **1 ***. *+**]"
1 38 GLN 5.288 0.678 17 2 "[ . 1 . +- 2]"
1 39 ASP 17.179 1.333 7 17 "[*** **+ *****-*** **]"
1 40 GLU 18.122 2.062 18 18 "[*** *** *****-***+**]"
1 41 PRO 24.659 1.951 17 14 "[- **. **** **.*+***]"
1 42 ARG 6.258 0.804 16 6 "[ . * *- *.+ *2]"
1 43 TYR 24.717 2.008 18 14 "[****. *** **.-*+**]"
1 44 MET 20.129 2.213 11 13 "[* *** *-+***.** *]"
1 45 MET 5.707 0.573 16 1 "[ . 1 .+ 2]"
1 46 LEU 7.614 0.614 8 3 "[ . + 1- .* 2]"
1 47 ALA 0.364 0.131 4 0 "[ . 1 . 2]"
1 48 ARG 3.553 1.169 8 2 "[ -. + 1 . 2]"
1 49 GLU 19.402 2.141 14 9 "[ *- **1 *+. ***2]"
1 50 ALA 8.977 0.978 4 8 "[ +* **1 * . *-*2]"
1 51 GLU 1.199 1.101 6 1 "[ .+ 1 . 2]"
1 52 MET 17.120 1.380 4 10 "[* +* **1 **. ***2]"
1 53 LEU 7.467 1.902 4 3 "[ +. 1 - * 2]"
1 54 PHE 1.876 0.186 17 0 "[ . 1 . 2]"
1 55 THR 3.582 1.101 6 1 "[ .+ 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.271 0.116 9 0 "[ . 1 . 2]"
1 58 TYR 0.252 0.135 3 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 5.453 2.141 14 2 "[* . 1 +. 2]"
1 61 GLU 2.433 0.547 3 2 "[ + . 1 - 2]"
1 62 LYS 4.278 1.039 11 3 "[ - . 1+* . 2]"
1 63 ASP 0.186 0.108 4 0 "[ . 1 . 2]"
1 64 PRO 1.811 1.039 11 2 "[ . 1+- . 2]"
1 65 GLN 7.217 2.407 20 3 "[ * 1 . - +]"
1 66 ARG 7.907 1.902 4 3 "[ +. 1 - * 2]"
1 67 SER 0.556 0.272 14 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.623 0.343 13 0 "[ . 1 . 2]"
1 70 LEU 8.204 0.830 7 4 "[ . +* 1- * 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.785 0.239 12 0 "[ . 1 . 2]"
1 73 GLN 1.645 0.450 20 0 "[ . 1 . 2]"
1 74 ALA 1.191 0.332 1 0 "[ . 1 . 2]"
1 75 ALA 4.869 0.397 13 0 "[ . 1 . 2]"
1 76 GLU 14.745 2.455 10 5 "[-* . + * . *2]"
1 77 ALA 2.628 0.980 2 3 "[ + . 1-* . 2]"
1 78 ALA 0.193 0.106 2 0 "[ . 1 . 2]"
1 79 MET 7.860 2.455 10 2 "[ . + * . 2]"
1 80 GLU 5.368 0.980 2 3 "[ + . 1-* . 2]"
1 81 ALA 5.126 0.802 20 5 "[* *. * .- +]"
1 82 MET 0.231 0.195 14 0 "[ . 1 . 2]"
1 83 LYS 10.097 2.213 11 7 "[ * -+* *. * *]"
1 84 GLY 0.154 0.154 19 0 "[ . 1 . 2]"
1 85 ARG 0.090 0.090 7 0 "[ . 1 . 2]"
1 86 LEU 3.952 0.383 6 0 "[ . 1 . 2]"
1 87 ALA 3.987 0.793 10 1 "[ . + . 2]"
1 88 ASN 8.752 1.915 20 5 "[ - . * 1 * .* +]"
1 89 GLN 9.490 0.533 10 9 "[** . +*** * *-2]"
1 90 TYR 7.783 0.895 14 4 "[* . - 1 +. *]"
1 91 TYR 5.854 0.749 12 2 "[ .- 1 + . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 22.877 2.171 14 10 "[* ** **1- *+.** 2]"
1 94 ALA 20.610 2.171 14 11 "[* ** **1-**+.** 2]"
1 95 GLU 7.031 0.827 5 8 "[ -**+ * 1* * * 2]"
1 96 GLU 4.497 0.701 11 7 "[ -*** 1+ * * 2]"
1 97 ALA 1.296 0.557 6 1 "[ .+ 1 . 2]"
1 98 TRP 7.093 2.407 20 4 "[- * 1 . * +]"
1 99 ALA 2.679 2.679 15 1 "[ . 1 + 2]"
1 100 GLN 6.285 2.174 2 4 "[*+ .- 1 *. 2]"
1 101 MET 8.151 2.174 2 5 "[*+ . 1 *- * 2]"
1 102 GLU 4.552 0.725 17 4 "[ .- 1 * * + 2]"
1 103 GLU 3.256 0.560 12 2 "[ .- 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 37 MET ME 1 41 PRO HA 2.986 . 4.101 3.591 2.252 5.880 1.779 18 3 "[ * . 1 . +-2]" 1
2 1 40 GLU HA 1 40 GLU HG2 3.480 . 4.994 3.177 2.490 3.798 . 0 0 "[ . 1 . 2]" 1
3 1 41 PRO HA 1 41 PRO QB 2.403 . 3.125 2.181 2.172 2.190 . 0 0 "[ . 1 . 2]" 1
4 1 41 PRO QB 1 41 PRO QD 4.895 . 6.201 2.845 2.759 2.916 . 0 0 "[ . 1 . 2]" 1
5 1 41 PRO QB 1 41 PRO QG 3.196 . 4.327 1.972 1.948 1.979 . 0 0 "[ . 1 . 2]" 1
6 1 72 THR HA 1 75 ALA MB 3.060 . 4.231 2.517 2.386 2.642 . 0 0 "[ . 1 . 2]" 1
7 1 64 PRO HA 1 67 SER QB 2.881 . 3.919 2.334 2.111 2.654 . 0 0 "[ . 1 . 2]" 1
8 1 64 PRO HA 1 64 PRO QG 3.401 . 4.847 2.866 2.819 2.944 . 0 0 "[ . 1 . 2]" 1
9 1 64 PRO HA 1 97 ALA MB 3.411 . 4.866 3.108 2.596 3.596 . 0 0 "[ . 1 . 2]" 1
10 1 6 PRO HA 1 9 CYS QB 4.546 . 7.130 4.755 2.995 7.967 0.837 18 1 "[ . 1 . + 2]" 1
11 1 6 PRO HA 1 6 PRO HB3 2.449 . 3.199 2.298 2.262 2.321 . 0 0 "[ . 1 . 2]" 1
12 1 6 PRO HA 1 6 PRO QD 3.840 . 5.683 3.446 3.361 3.503 . 0 0 "[ . 1 . 2]" 1
13 1 71 TYR HA 1 71 TYR HD2 3.375 . 4.798 4.262 4.175 4.395 . 0 0 "[ . 1 . 2]" 1
14 1 5 SER HA 1 5 SER HB3 2.956 . 4.048 2.405 2.318 2.489 . 0 0 "[ . 1 . 2]" 1
15 1 21 THR HA 1 21 THR MG 2.479 . 3.247 2.603 2.223 3.221 . 0 0 "[ . 1 . 2]" 1
16 1 91 TYR HA 1 91 TYR QE 4.290 . 6.591 4.424 4.263 4.561 . 0 0 "[ . 1 . 2]" 1
17 1 26 THR HA 1 27 ASP QB 4.868 . 7.830 4.433 4.049 4.829 . 0 0 "[ . 1 . 2]" 1
18 1 26 THR HA 1 26 THR MG 2.385 . 3.096 2.311 2.208 3.225 0.129 11 0 "[ . 1 . 2]" 1
19 1 54 PHE HA 1 54 PHE HB3 3.000 . 4.125 3.029 3.025 3.032 . 0 0 "[ . 1 . 2]" 1
20 1 65 GLN HA 1 98 TRP HD1 3.037 . 4.190 2.845 2.293 3.545 . 0 0 "[ . 1 . 2]" 1
21 1 42 ARG HA 1 42 ARG HD2 5.085 . 8.317 4.814 4.326 5.526 . 0 0 "[ . 1 . 2]" 1
22 1 9 CYS HA 1 9 CYS QB 2.383 . 3.093 2.255 2.172 2.397 . 0 0 "[ . 1 . 2]" 1
23 1 85 ARG HA 1 88 ASN HB2 3.441 . 4.921 3.407 2.573 3.932 . 0 0 "[ . 1 . 2]" 1
24 1 51 GLU HA 1 51 GLU QG 2.447 . 3.196 2.497 2.300 2.956 . 0 0 "[ . 1 . 2]" 1
25 1 45 MET HA 1 45 MET HB3 2.727 . 3.657 3.023 3.006 3.028 . 0 0 "[ . 1 . 2]" 1
26 1 49 GLU HA 1 49 GLU HB3 2.995 . 4.116 3.025 3.016 3.034 . 0 0 "[ . 1 . 2]" 1
27 1 42 ARG HA 1 42 ARG HB3 2.436 . 3.178 2.605 2.392 3.030 . 0 0 "[ . 1 . 2]" 1
28 1 42 ARG HA 1 42 ARG HG3 3.287 . 4.637 3.209 2.528 3.879 . 0 0 "[ . 1 . 2]" 1
29 1 43 TYR HA 1 43 TYR QD 4.340 . 6.695 3.700 3.623 3.758 . 0 0 "[ . 1 . 2]" 1
30 1 58 TYR HA 1 58 TYR HD2 4.025 . 6.050 4.064 3.404 4.413 . 0 0 "[ . 1 . 2]" 1
31 1 43 TYR HA 1 43 TYR HB2 2.865 . 3.891 2.531 2.450 2.603 . 0 0 "[ . 1 . 2]" 1
32 1 58 TYR HA 1 58 TYR HB3 2.891 . 3.936 2.478 2.366 2.557 . 0 0 "[ . 1 . 2]" 1
33 1 43 TYR HA 1 43 TYR HB3 2.753 . 3.701 2.362 2.305 2.432 . 0 0 "[ . 1 . 2]" 1
34 1 52 MET HA 1 52 MET HG3 3.954 . 5.908 3.160 3.078 3.216 . 0 0 "[ . 1 . 2]" 1
35 1 16 LEU QD 1 19 TYR HA 3.986 . 5.972 4.877 3.118 6.901 0.929 14 2 "[ - 1 +. 2]" 1
36 1 18 TRP HA 1 18 TRP HE3 3.694 . 5.399 3.413 2.915 4.650 . 0 0 "[ . 1 . 2]" 1
37 1 98 TRP HA 1 98 TRP HD1 2.700 . 3.611 2.176 2.075 2.258 . 0 0 "[ . 1 . 2]" 1
38 1 18 TRP HA 1 18 TRP HD1 4.078 . 6.157 4.147 3.878 4.509 . 0 0 "[ . 1 . 2]" 1
39 1 66 ARG HA 1 69 ASP QB 2.640 . 3.512 2.276 2.115 2.429 . 0 0 "[ . 1 . 2]" 1
40 1 70 LEU HA 1 70 LEU HG 2.899 . 3.950 2.968 2.679 3.684 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLU HA 1 18 TRP HD1 4.406 . 6.832 4.023 2.651 9.124 2.292 7 1 "[ . + 1 . 2]" 1
42 1 90 TYR HA 1 90 TYR QB 3.269 . 4.605 2.381 2.362 2.403 . 0 0 "[ . 1 . 2]" 1
43 1 69 ASP HA 1 69 ASP QB 3.367 . 3.865 2.389 2.341 2.472 . 0 0 "[ . 1 . 2]" 1
44 1 64 PRO HB3 1 98 TRP HA 3.418 . 4.878 3.781 3.182 4.440 . 0 0 "[ . 1 . 2]" 1
45 1 93 LYS HA 1 96 GLU QB 2.591 . 3.430 2.281 2.028 2.564 . 0 0 "[ . 1 . 2]" 1
46 1 93 LYS HA 1 93 LYS HD2 3.010 . 4.142 2.770 2.110 3.828 . 0 0 "[ . 1 . 2]" 1
47 1 90 TYR HA 1 93 LYS HB3 3.058 . 4.227 2.525 2.119 3.533 . 0 0 "[ . 1 . 2]" 1
48 1 93 LYS HA 1 93 LYS HB2 2.833 . 3.837 2.553 2.435 2.917 . 0 0 "[ . 1 . 2]" 1
49 1 34 TYR HA 1 34 TYR HD1 3.201 . 4.482 3.675 2.620 4.579 0.097 9 0 "[ . 1 . 2]" 1
50 1 3 HIS QB 1 34 TYR HA 2.787 . 6.000 5.482 3.299 8.141 2.141 20 4 "[ . * *- . +]" 1
51 1 46 LEU HA 1 46 LEU QD 2.492 . 3.268 2.349 2.053 2.474 . 0 0 "[ . 1 . 2]" 1
52 1 86 LEU HA 1 89 GLN HB3 3.003 . 4.130 3.583 2.573 4.449 0.319 18 0 "[ . 1 . 2]" 1
53 1 10 GLN HA 1 10 GLN QB 2.355 . 3.048 2.273 2.169 2.416 . 0 0 "[ . 1 . 2]" 1
54 1 86 LEU HA 1 89 GLN HB2 4.166 . 6.335 3.081 2.644 3.754 . 0 0 "[ . 1 . 2]" 1
55 1 86 LEU HA 1 86 LEU HB3 2.859 . 3.881 2.596 2.532 2.646 . 0 0 "[ . 1 . 2]" 1
56 1 62 LYS HA 1 62 LYS HG3 3.679 . 5.370 3.704 2.526 3.854 . 0 0 "[ . 1 . 2]" 1
57 1 100 GLN HA 1 101 MET ME 2.507 . 6.000 5.609 4.399 8.174 2.174 2 3 "[*+ . 1 -. 2]" 1
58 1 4 MET QB 1 33 GLU HA 1.975 . 2.463 2.630 1.909 4.584 2.121 10 6 "[ - .* *+ ** . 2]" 1
59 1 75 ALA HA 1 90 TYR HD2 3.535 . 5.097 2.740 2.335 3.075 . 0 0 "[ . 1 . 2]" 1
60 1 87 ALA HA 1 90 TYR HD2 3.801 . 5.607 3.269 2.835 3.772 . 0 0 "[ . 1 . 2]" 1
61 1 87 ALA HA 1 91 TYR HA 3.935 . 5.870 6.018 5.663 6.285 0.415 6 0 "[ . 1 . 2]" 1
62 1 75 ALA HA 1 87 ALA HA 2.799 . 3.778 2.199 2.092 2.312 . 0 0 "[ . 1 . 2]" 1
63 1 101 MET HA 1 101 MET HB3 2.555 . 3.371 2.530 2.457 3.001 . 0 0 "[ . 1 . 2]" 1
64 1 75 ALA HA 1 87 ALA MB 3.385 . 4.817 3.211 3.081 3.321 . 0 0 "[ . 1 . 2]" 1
65 1 43 TYR HA 1 74 ALA HA 2.875 . 3.908 2.596 2.336 2.842 . 0 0 "[ . 1 . 2]" 1
66 1 3 HIS HA 1 3 HIS QB 2.669 . 3.560 2.337 2.177 2.513 . 0 0 "[ . 1 . 2]" 1
67 1 93 LYS QE 1 94 ALA HA 3.897 . 5.795 6.352 5.427 7.966 2.171 14 10 "[* ** -*1* *+.** 2]" 1
68 1 37 MET HA 1 37 MET HG2 2.875 . 3.908 3.489 2.426 4.227 0.319 18 0 "[ . 1 . 2]" 1
69 1 37 MET HA 1 37 MET QB 2.281 . 2.932 2.311 2.164 2.466 . 0 0 "[ . 1 . 2]" 1
70 1 23 LEU HA 1 23 LEU HG 2.487 . 3.260 3.034 2.468 3.172 . 0 0 "[ . 1 . 2]" 1
71 1 43 TYR QD 1 78 ALA HA 3.690 . 5.392 3.084 2.353 3.435 . 0 0 "[ . 1 . 2]" 1
72 1 78 ALA HA 1 87 ALA MB 3.237 . 4.546 4.378 4.212 4.530 . 0 0 "[ . 1 . 2]" 1
73 1 50 ALA HA 1 70 LEU QD 3.452 . 3.546 2.639 2.180 3.815 0.269 5 0 "[ . 1 . 2]" 1
74 1 77 ALA HA 1 77 ALA MB 2.145 . 2.720 2.129 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
75 1 29 ASP HA 1 29 ASP QB 2.429 . 3.166 2.332 2.182 2.447 . 0 0 "[ . 1 . 2]" 1
76 1 35 ASP HA 1 35 ASP QB 2.296 . 2.955 2.296 2.153 2.437 . 0 0 "[ . 1 . 2]" 1
77 1 38 GLN HA 1 39 ASP HA 3.562 . 5.148 4.416 4.210 4.684 . 0 0 "[ . 1 . 2]" 1
78 1 15 ALA HA 1 18 TRP QB 3.520 . 5.069 3.654 2.736 5.308 0.239 6 0 "[ . 1 . 2]" 1
79 1 15 ALA HA 1 15 ALA MB 2.160 . 2.743 2.127 2.120 2.131 . 0 0 "[ . 1 . 2]" 1
80 1 83 LYS HA 1 83 LYS HD3 3.317 . 4.692 2.847 1.983 4.630 . 0 0 "[ . 1 . 2]" 1
81 1 83 LYS HA 1 83 LYS HG3 3.240 . 4.552 3.631 2.868 3.823 . 0 0 "[ . 1 . 2]" 1
82 1 63 ASP HA 1 64 PRO HD2 2.761 . 3.714 2.358 2.256 2.399 . 0 0 "[ . 1 . 2]" 1
83 1 40 GLU HA 1 41 PRO QD 2.800 . 3.780 2.039 1.954 2.146 . 0 0 "[ . 1 . 2]" 1
84 1 64 PRO HD2 1 64 PRO QG 2.898 . 3.948 2.246 2.226 2.260 . 0 0 "[ . 1 . 2]" 1
85 1 6 PRO QD 1 33 GLU QG 3.401 . 4.847 3.988 2.545 7.437 2.590 11 3 "[ . 1+ -. * 2]" 1
86 1 64 PRO HD3 1 64 PRO QG 2.812 . 3.801 2.193 2.187 2.198 . 0 0 "[ . 1 . 2]" 1
87 1 6 PRO HB2 1 6 PRO QD 2.562 . 6.000 3.321 2.861 3.552 . 0 0 "[ . 1 . 2]" 1
88 1 40 GLU HB3 1 41 PRO QD 4.323 . 6.659 3.826 2.708 4.432 . 0 0 "[ . 1 . 2]" 1
89 1 41 PRO QD 1 41 PRO QG 3.172 . 4.430 1.963 1.953 1.976 0.036 10 0 "[ . 1 . 2]" 1
90 1 63 ASP HA 1 64 PRO HD3 2.765 . 3.721 2.164 2.043 2.341 . 0 0 "[ . 1 . 2]" 1
91 1 56 GLY QA 1 62 LYS HD2 3.815 . 5.634 3.859 2.642 5.419 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG HA 1 8 ARG HD3 4.017 . 6.034 4.568 1.996 5.546 0.004 20 0 "[ . 1 . 2]" 1
93 1 42 ARG HA 1 42 ARG HD3 4.855 . 7.802 4.626 4.166 5.538 . 0 0 "[ . 1 . 2]" 1
94 1 53 LEU HG 1 66 ARG QD 2.161 . 2.745 2.615 1.939 4.647 1.902 4 3 "[ +. 1 - * 2]" 1
95 1 42 ARG HD3 1 42 ARG HG3 2.610 . 3.462 2.710 2.380 3.017 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG HD3 1 8 ARG HG3 2.238 . 2.864 2.667 2.410 3.014 0.150 20 0 "[ . 1 . 2]" 1
97 1 83 LYS QE 1 83 LYS HG3 3.438 . 3.768 2.616 2.333 3.538 . 0 0 "[ . 1 . 2]" 1
98 1 46 LEU HB3 1 70 LEU QD 2.559 . 3.377 3.405 2.593 3.991 0.614 8 2 "[ . + 1- . 2]" 1
99 1 23 LEU HA 1 23 LEU HB3 2.784 . 3.753 2.540 2.448 3.019 . 0 0 "[ . 1 . 2]" 1
100 1 63 ASP HB3 1 66 ARG HB3 3.210 . 4.498 2.778 2.490 4.099 . 0 0 "[ . 1 . 2]" 1
101 1 46 LEU HB3 1 46 LEU HG 2.514 . 3.304 2.495 2.392 3.021 . 0 0 "[ . 1 . 2]" 1
102 1 23 LEU HB3 1 23 LEU QD 2.363 . 3.061 2.130 2.106 2.251 . 0 0 "[ . 1 . 2]" 1
103 1 53 LEU HB2 1 70 LEU QD 3.386 . 6.000 3.171 2.635 4.514 . 0 0 "[ . 1 . 2]" 1
104 1 50 ALA MB 1 53 LEU HB2 3.662 . 5.339 3.983 3.730 4.173 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU HA 1 16 LEU QB 3.401 . 4.847 2.965 2.318 3.935 . 0 0 "[ . 1 . 2]" 1
106 1 62 LYS QE 1 64 PRO QG 3.311 . 4.681 4.080 3.199 5.720 1.039 11 2 "[ . 1+- . 2]" 1
107 1 62 LYS HD2 1 62 LYS QE 2.342 . 3.028 2.300 2.168 2.467 . 0 0 "[ . 1 . 2]" 1
108 1 62 LYS QE 1 62 LYS HG3 2.815 . 3.805 2.551 2.309 3.025 . 0 0 "[ . 1 . 2]" 1
109 1 93 LYS HB2 1 93 LYS QE 4.630 . 7.309 3.773 2.013 4.548 . 0 0 "[ . 1 . 2]" 1
110 1 27 ASP HA 1 27 ASP QB 2.976 . 4.083 2.380 2.184 2.465 . 0 0 "[ . 1 . 2]" 1
111 1 55 THR HA 1 62 LYS QE 3.215 . 4.507 3.475 2.631 4.979 0.472 20 0 "[ . 1 . 2]" 1
112 1 83 LYS HB3 1 86 LEU HB3 3.580 . 5.182 3.731 3.399 4.219 . 0 0 "[ . 1 . 2]" 1
113 1 83 LYS HB3 1 86 LEU HB2 2.563 . 3.384 2.167 1.930 2.559 . 0 0 "[ . 1 . 2]" 1
114 1 86 LEU HB3 1 86 LEU QD 2.305 . 2.969 2.261 2.093 2.320 . 0 0 "[ . 1 . 2]" 1
115 1 86 LEU HB2 1 86 LEU QD 3.044 . 4.203 2.312 2.132 2.359 . 0 0 "[ . 1 . 2]" 1
116 1 69 ASP QB 1 73 GLN QG 3.608 . 6.000 4.668 3.664 6.343 0.343 13 0 "[ . 1 . 2]" 1
117 1 88 ASN HA 1 88 ASN HB2 2.353 . 3.045 2.542 2.352 3.019 . 0 0 "[ . 1 . 2]" 1
118 1 85 ARG HA 1 88 ASN HB3 3.120 . 4.337 2.998 2.464 4.427 0.090 7 0 "[ . 1 . 2]" 1
119 1 34 TYR HB2 1 34 TYR HD1 3.258 . 4.585 2.801 2.298 3.728 . 0 0 "[ . 1 . 2]" 1
120 1 71 TYR HB3 1 71 TYR HD2 3.762 . 5.531 3.428 3.367 3.477 . 0 0 "[ . 1 . 2]" 1
121 1 71 TYR HB2 1 71 TYR HD2 3.718 . 5.446 2.316 2.293 2.330 . 0 0 "[ . 1 . 2]" 1
122 1 43 TYR HB2 1 74 ALA MB 3.182 . 4.448 2.956 2.739 3.181 . 0 0 "[ . 1 . 2]" 1
123 1 80 GLU HA 1 80 GLU HG3 3.586 . 5.193 2.936 2.517 3.711 . 0 0 "[ . 1 . 2]" 1
124 1 76 GLU HA 1 76 GLU QG 3.835 . 4.097 2.471 2.284 2.840 . 0 0 "[ . 1 . 2]" 1
125 1 90 TYR QB 1 90 TYR HD2 3.770 . 5.547 2.307 2.247 2.378 . 0 0 "[ . 1 . 2]" 1
126 1 40 GLU HA 1 40 GLU HG3 3.021 . 4.162 3.267 2.458 4.270 0.108 5 0 "[ . 1 . 2]" 1
127 1 14 GLU HA 1 14 GLU HG3 3.317 . 4.692 3.228 2.406 3.779 . 0 0 "[ . 1 . 2]" 1
128 1 49 GLU HA 1 49 GLU HG2 3.843 . 5.689 3.439 3.120 3.790 . 0 0 "[ . 1 . 2]" 1
129 1 49 GLU HG2 1 70 LEU QD 3.315 . 4.688 2.361 1.866 2.959 0.076 12 0 "[ . 1 . 2]" 1
130 1 100 GLN HA 1 100 GLN QG 2.966 . 3.682 2.483 2.361 2.854 . 0 0 "[ . 1 . 2]" 1
131 1 89 GLN HA 1 89 GLN QG 2.794 . 3.770 2.448 2.345 2.556 . 0 0 "[ . 1 . 2]" 1
132 1 100 GLN QG 1 102 GLU QG 2.345 . 6.000 3.497 1.775 6.280 0.280 14 0 "[ . 1 . 2]" 1
133 1 85 ARG QG 1 89 GLN QG 4.002 . 6.004 3.885 2.371 5.612 . 0 0 "[ . 1 . 2]" 1
134 1 43 TYR QD 1 44 MET QG 3.730 . 5.469 2.917 2.410 3.398 . 0 0 "[ . 1 . 2]" 1
135 1 43 TYR QE 1 44 MET QG 3.957 . 5.914 2.824 2.003 3.563 . 0 0 "[ . 1 . 2]" 1
136 1 41 PRO QB 1 43 TYR QE 4.044 . 6.088 2.737 2.341 3.158 . 0 0 "[ . 1 . 2]" 1
137 1 44 MET HA 1 44 MET QG 2.981 . 4.091 2.453 2.317 2.904 . 0 0 "[ . 1 . 2]" 1
138 1 64 PRO HA 1 64 PRO HB3 2.664 . 3.551 2.306 2.292 2.314 . 0 0 "[ . 1 . 2]" 1
139 1 82 MET HA 1 82 MET QG 2.852 . 3.869 2.659 2.367 3.042 . 0 0 "[ . 1 . 2]" 1
140 1 37 MET HA 1 37 MET HG3 3.882 . 5.766 3.316 2.551 4.249 . 0 0 "[ . 1 . 2]" 1
141 1 52 MET HB3 1 52 MET HG3 2.269 . 2.912 3.004 2.997 3.010 0.098 4 0 "[ . 1 . 2]" 1
142 1 52 MET HB2 1 52 MET HG3 2.978 . 4.087 2.377 2.352 2.432 . 0 0 "[ . 1 . 2]" 1
143 1 98 TRP HA 1 101 MET HG3 3.333 . 4.721 2.706 2.016 3.589 . 0 0 "[ . 1 . 2]" 1
144 1 98 TRP HA 1 101 MET HG2 3.795 . 5.595 3.287 2.677 4.448 . 0 0 "[ . 1 . 2]" 1
145 1 101 MET HA 1 101 MET HG3 3.618 . 5.255 3.120 2.495 3.709 . 0 0 "[ . 1 . 2]" 1
146 1 101 MET HA 1 101 MET HG2 2.979 . 4.088 2.567 2.392 3.105 . 0 0 "[ . 1 . 2]" 1
147 1 79 MET HA 1 79 MET HB3 2.836 . 3.841 2.528 2.477 3.026 . 0 0 "[ . 1 . 2]" 1
148 1 79 MET HB3 1 87 ALA HA 3.416 . 4.875 4.547 4.278 5.668 0.793 10 1 "[ . + . 2]" 1
149 1 45 MET HA 1 45 MET HG2 3.318 . 4.694 2.915 2.413 3.212 . 0 0 "[ . 1 . 2]" 1
150 1 66 ARG HA 1 66 ARG HB3 2.990 . 4.107 2.964 2.511 3.027 . 0 0 "[ . 1 . 2]" 1
151 1 66 ARG HB3 1 69 ASP QB 3.864 . 5.731 4.659 3.947 5.022 . 0 0 "[ . 1 . 2]" 1
152 1 61 GLU HB2 1 62 LYS HG3 4.493 . 7.016 6.782 5.398 7.359 0.343 4 0 "[ . 1 . 2]" 1
153 1 38 GLN HA 1 38 GLN HB3 2.598 . 3.442 2.588 2.394 3.026 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLU HA 1 24 GLU HB3 2.518 . 3.310 2.860 2.402 3.028 . 0 0 "[ . 1 . 2]" 1
155 1 48 ARG HB3 1 48 ARG QD 2.583 . 3.417 2.517 2.299 3.513 0.096 1 0 "[ . 1 . 2]" 1
156 1 80 GLU HA 1 80 GLU HB3 2.822 . 3.817 2.950 2.519 3.030 . 0 0 "[ . 1 . 2]" 1
157 1 76 GLU HA 1 80 GLU HB3 4.294 . 6.599 5.687 5.265 6.743 0.144 11 0 "[ . 1 . 2]" 1
158 1 14 GLU HB2 1 14 GLU HG3 2.016 . 2.524 2.573 2.355 3.010 0.486 17 0 "[ . 1 . 2]" 1
159 1 13 LEU HB2 1 14 GLU HB2 4.226 . 6.458 4.805 4.025 5.731 . 0 0 "[ . 1 . 2]" 1
160 1 82 MET HA 1 82 MET QB 2.835 . 3.840 2.381 2.334 2.453 . 0 0 "[ . 1 . 2]" 1
161 1 100 GLN HB3 1 100 GLN QG 2.360 . 3.056 2.315 2.159 2.391 . 0 0 "[ . 1 . 2]" 1
162 1 93 LYS HB3 1 93 LYS HD3 3.551 . 5.128 3.577 2.952 3.758 . 0 0 "[ . 1 . 2]" 1
163 1 66 ARG HA 1 66 ARG HG3 3.053 . 4.218 2.681 2.389 3.634 . 0 0 "[ . 1 . 2]" 1
164 1 93 LYS HA 1 93 LYS HD3 3.890 . 5.781 2.789 1.973 3.679 0.026 16 0 "[ . 1 . 2]" 1
165 1 48 ARG HB3 1 48 ARG QG 2.041 . 2.562 2.338 2.168 2.400 . 0 0 "[ . 1 . 2]" 1
166 1 41 PRO QB 1 42 ARG HG3 3.318 . 6.000 5.858 5.224 6.801 0.801 10 5 "[ . * +- *. *2]" 1
167 1 53 LEU HA 1 53 LEU QD . . 2.662 1.913 1.853 2.085 . 0 0 "[ . 1 . 2]" 1
168 1 49 GLU HA 1 53 LEU QD 3.586 . 5.193 3.517 3.306 4.143 . 0 0 "[ . 1 . 2]" 1
169 1 50 ALA HA 1 53 LEU QD 3.531 . 5.090 3.419 2.762 3.698 . 0 0 "[ . 1 . 2]" 1
170 1 49 GLU HG2 1 53 LEU QD 2.825 . 3.823 2.814 2.081 3.923 0.100 8 0 "[ . 1 . 2]" 1
171 1 53 LEU QD 1 66 ARG HB3 . . 2.449 2.499 2.200 2.876 0.427 18 0 "[ . 1 . 2]" 1
172 1 50 ALA MB 1 53 LEU QD 4.042 . 6.084 4.446 3.908 4.663 . 0 0 "[ . 1 . 2]" 1
173 1 49 GLU HB3 1 70 LEU QD 2.825 . 3.299 2.490 2.052 2.754 . 0 0 "[ . 1 . 2]" 1
174 1 50 ALA MB 1 70 LEU QD 3.121 . 4.338 2.970 2.426 3.410 . 0 0 "[ . 1 . 2]" 1
175 1 43 TYR HA 1 46 LEU QD 2.945 . 4.029 2.842 2.681 3.005 . 0 0 "[ . 1 . 2]" 1
176 1 46 LEU QD 1 74 ALA HA 2.454 . 3.207 2.455 2.222 2.594 . 0 0 "[ . 1 . 2]" 1
177 1 42 ARG HD3 1 46 LEU QD 3.445 . 4.929 4.100 3.175 5.275 0.346 18 0 "[ . 1 . 2]" 1
178 1 46 LEU QD 1 46 LEU HG 1.883 . 2.326 1.891 1.890 1.893 . 0 0 "[ . 1 . 2]" 1
179 1 12 TRP HZ2 1 13 LEU QD 3.322 . 4.701 3.102 2.831 4.564 . 0 0 "[ . 1 . 2]" 1
180 1 60 LEU HA 1 60 LEU QD 2.413 . 2.880 1.973 1.925 2.061 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU HA 1 23 LEU QD . . 2.870 2.084 1.997 2.804 . 0 0 "[ . 1 . 2]" 1
182 1 62 LYS HA 1 62 LYS HG2 3.430 . 4.900 3.749 3.142 3.828 . 0 0 "[ . 1 . 2]" 1
183 1 16 LEU HA 1 16 LEU QD 2.508 . 3.249 2.104 1.901 2.500 . 0 0 "[ . 1 . 2]" 1
184 1 93 LYS HA 1 93 LYS HG2 3.739 . 5.487 3.578 2.409 3.834 . 0 0 "[ . 1 . 2]" 1
185 1 62 LYS QE 1 62 LYS HG2 3.877 . 5.756 3.336 2.450 3.512 . 0 0 "[ . 1 . 2]" 1
186 1 52 MET ME 1 60 LEU QD . . 2.583 2.465 1.977 3.841 1.258 1 1 "[+ . 1 . 2]" 1
187 1 16 LEU QB 1 16 LEU QD 2.173 . 2.763 1.973 1.914 2.055 . 0 0 "[ . 1 . 2]" 1
188 1 22 ALA MB 1 23 LEU QD 2.471 . 6.000 3.352 2.167 4.331 . 0 0 "[ . 1 . 2]" 1
189 1 93 LYS HB2 1 93 LYS HG2 2.924 . 3.993 2.466 2.409 2.574 . 0 0 "[ . 1 . 2]" 1
190 1 90 TYR QB 1 93 LYS HG3 3.939 . 5.878 5.865 5.251 6.773 0.895 14 2 "[- . 1 +. 2]" 1
191 1 62 LYS HD2 1 62 LYS HG2 2.355 . 3.048 2.479 2.384 3.015 . 0 0 "[ . 1 . 2]" 1
192 1 43 TYR QD 1 86 LEU QD 3.260 . 4.589 3.171 2.501 3.640 . 0 0 "[ . 1 . 2]" 1
193 1 43 TYR QE 1 86 LEU QD 2.947 . 4.033 2.817 1.980 3.398 . 0 0 "[ . 1 . 2]" 1
194 1 86 LEU QD 1 90 TYR QE 2.867 . 3.895 2.688 2.441 3.370 . 0 0 "[ . 1 . 2]" 1
195 1 86 LEU HA 1 86 LEU QD 2.170 . 2.759 1.988 1.921 2.827 0.068 6 0 "[ . 1 . 2]" 1
196 1 44 MET QG 1 86 LEU QD 3.328 . 4.713 3.765 3.136 4.193 . 0 0 "[ . 1 . 2]" 1
197 1 85 ARG QG 1 86 LEU QD 2.516 . 6.000 3.225 2.740 4.290 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU HA 1 13 LEU QD 2.728 . 3.658 2.505 1.911 3.091 . 0 0 "[ . 1 . 2]" 1
199 1 53 LEU QD 1 63 ASP HB2 3.405 . 4.855 3.407 2.078 4.063 . 0 0 "[ . 1 . 2]" 1
200 1 53 LEU QD 1 63 ASP HB3 2.565 . 3.388 2.556 2.044 3.496 0.108 4 0 "[ . 1 . 2]" 1
201 1 52 MET HB3 1 60 LEU QD 3.259 . 4.587 2.662 1.981 3.138 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU HB2 1 13 LEU QD 2.476 . 3.243 2.179 2.082 2.343 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU QD 1 13 LEU HG 2.170 . 2.759 1.891 1.886 1.897 . 0 0 "[ . 1 . 2]" 1
204 1 49 GLU HG3 1 53 LEU QD 4.036 . 6.072 2.461 2.057 2.871 . 0 0 "[ . 1 . 2]" 1
205 1 70 LEU HA 1 70 LEU QD 2.154 . 2.734 2.062 1.835 2.164 . 0 0 "[ . 1 . 2]" 1
206 1 70 LEU QD 1 73 GLN QG 3.968 . 5.936 3.737 3.106 4.422 . 0 0 "[ . 1 . 2]" 1
207 1 70 LEU HB3 1 70 LEU QD 1.900 . 2.351 2.128 2.067 2.295 . 0 0 "[ . 1 . 2]" 1
208 1 54 PHE HD1 1 55 THR MG 2.879 . 3.915 2.563 2.017 3.548 . 0 0 "[ . 1 . 2]" 1
209 1 72 THR MG 1 91 TYR QE 3.115 . 4.328 2.772 2.394 3.308 . 0 0 "[ . 1 . 2]" 1
210 1 72 THR HB 1 72 THR MG 2.154 . 2.734 2.133 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
211 1 55 THR HB 1 55 THR MG 1.971 . 2.457 2.132 2.129 2.135 . 0 0 "[ . 1 . 2]" 1
212 1 26 THR HB 1 26 THR MG 1.989 . 2.483 2.134 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
213 1 55 THR HA 1 55 THR MG 2.453 . 3.205 2.434 2.243 3.219 0.014 18 0 "[ . 1 . 2]" 1
214 1 72 THR HA 1 72 THR MG 2.457 . 3.212 2.239 2.201 2.276 . 0 0 "[ . 1 . 2]" 1
215 1 71 TYR HB2 1 72 THR MG 3.408 . 4.860 3.897 3.514 4.101 . 0 0 "[ . 1 . 2]" 1
216 1 72 THR MG 1 94 ALA MB 1.647 . 1.986 1.989 1.860 2.225 0.239 12 0 "[ . 1 . 2]" 1
217 1 51 GLU QG 1 55 THR MG 2.918 . 3.982 3.308 2.403 5.083 1.101 6 1 "[ .+ 1 . 2]" 1
218 1 21 THR MG 1 24 GLU QG 3.714 . 5.439 4.284 2.210 8.494 3.055 14 4 "[ *. 1 +. *- 2]" 1
219 1 43 TYR QE 1 81 ALA MB 2.726 . 6.000 2.490 2.097 3.029 . 0 0 "[ . 1 . 2]" 1
220 1 81 ALA HA 1 81 ALA MB 2.065 . 2.598 2.128 2.124 2.132 . 0 0 "[ . 1 . 2]" 1
221 1 78 ALA HA 1 81 ALA MB 2.476 . 3.242 2.761 2.605 2.952 . 0 0 "[ . 1 . 2]" 1
222 1 43 TYR QD 1 81 ALA MB 3.170 . 6.000 3.041 2.435 3.689 . 0 0 "[ . 1 . 2]" 1
223 1 87 ALA MB 1 90 TYR HD2 3.938 . 5.876 4.607 4.259 4.976 . 0 0 "[ . 1 . 2]" 1
224 1 44 MET HA 1 47 ALA MB 2.494 . 3.272 2.561 2.250 2.764 . 0 0 "[ . 1 . 2]" 1
225 1 22 ALA HA 1 22 ALA MB 2.053 . 2.580 2.125 2.117 2.131 . 0 0 "[ . 1 . 2]" 1
226 1 87 ALA HA 1 87 ALA MB 2.034 . 2.551 2.125 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
227 1 47 ALA HA 1 47 ALA MB 2.102 . 2.654 2.128 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
228 1 43 TYR HB3 1 81 ALA MB 3.079 . 4.264 4.462 3.974 5.066 0.802 20 5 "[* *. * .- +]" 1
229 1 79 MET QG 1 87 ALA MB 2.966 . 4.066 3.499 3.141 3.926 . 0 0 "[ . 1 . 2]" 1
230 1 47 ALA MB 1 50 ALA MB 3.142 . 4.376 3.430 3.329 3.547 . 0 0 "[ . 1 . 2]" 1
231 1 12 TRP HE3 1 15 ALA MB 3.742 . 5.492 4.732 3.754 5.353 . 0 0 "[ . 1 . 2]" 1
232 1 12 TRP HA 1 15 ALA MB 2.481 . 3.250 2.253 1.951 3.216 . 0 0 "[ . 1 . 2]" 1
233 1 99 ALA HA 1 99 ALA MB 2.005 . 2.508 2.126 2.120 2.131 . 0 0 "[ . 1 . 2]" 1
234 1 96 GLU HA 1 99 ALA MB 2.271 . 2.916 2.403 2.103 2.668 . 0 0 "[ . 1 . 2]" 1
235 1 44 MET QG 1 47 ALA MB 3.953 . 5.906 4.173 3.650 4.804 . 0 0 "[ . 1 . 2]" 1
236 1 22 ALA MB 1 99 ALA MB 1.339 . 6.000 3.027 1.842 8.679 2.679 15 1 "[ . 1 + 2]" 1
237 1 94 ALA MB 1 98 TRP HH2 3.672 . 5.358 3.988 3.480 4.414 . 0 0 "[ . 1 . 2]" 1
238 1 43 TYR QD 1 77 ALA MB 3.649 . 5.313 2.984 2.300 3.583 . 0 0 "[ . 1 . 2]" 1
239 1 91 TYR HD2 1 94 ALA MB 3.555 . 5.135 3.909 3.154 5.884 0.749 12 2 "[ .- 1 + . 2]" 1
240 1 91 TYR HA 1 94 ALA MB 2.568 . 3.392 2.446 2.305 2.696 . 0 0 "[ . 1 . 2]" 1
241 1 74 ALA HA 1 77 ALA MB 2.738 . 3.675 2.633 2.503 2.780 . 0 0 "[ . 1 . 2]" 1
242 1 94 ALA HA 1 94 ALA MB 2.230 . 2.851 2.136 2.133 2.140 . 0 0 "[ . 1 . 2]" 1
243 1 43 TYR HB2 1 77 ALA MB 3.863 . 5.728 3.377 3.080 3.656 . 0 0 "[ . 1 . 2]" 1
244 1 71 TYR HB3 1 94 ALA MB 2.540 . 3.346 2.165 1.932 2.414 . 0 0 "[ . 1 . 2]" 1
245 1 43 TYR HB3 1 77 ALA MB 2.309 . 2.975 2.102 1.871 2.407 . 0 0 "[ . 1 . 2]" 1
246 1 91 TYR HB3 1 94 ALA MB 3.911 . 5.823 4.522 4.056 4.955 . 0 0 "[ . 1 . 2]" 1
247 1 71 TYR HB2 1 94 ALA MB 2.768 . 3.726 2.559 2.325 2.804 . 0 0 "[ . 1 . 2]" 1
248 1 93 LYS HD2 1 94 ALA MB 2.749 . 6.000 6.166 5.065 6.655 0.655 5 5 "[* + * 1- .* 2]" 1
249 1 46 LEU QD 1 77 ALA MB 2.062 . 6.000 2.533 2.223 3.084 . 0 0 "[ . 1 . 2]" 1
250 1 75 ALA MB 1 91 TYR QE 3.477 . 4.988 3.777 2.505 5.385 0.397 13 0 "[ . 1 . 2]" 1
251 1 75 ALA MB 1 90 TYR HD2 3.849 . 5.700 3.690 3.320 4.050 . 0 0 "[ . 1 . 2]" 1
252 1 43 TYR HA 1 74 ALA MB 2.840 . 3.848 2.956 2.738 3.273 . 0 0 "[ . 1 . 2]" 1
253 1 75 ALA HA 1 75 ALA MB 2.320 . 2.993 2.130 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
254 1 74 ALA HA 1 74 ALA MB 2.171 . 2.760 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
255 1 75 ALA MB 1 76 GLU HA 2.736 . 3.672 3.874 3.804 3.909 0.237 20 0 "[ . 1 . 2]" 1
256 1 75 ALA MB 1 90 TYR QB 3.217 . 3.594 2.224 2.009 2.460 . 0 0 "[ . 1 . 2]" 1
257 1 43 TYR HB3 1 74 ALA MB 3.821 . 5.646 3.860 3.580 4.243 . 0 0 "[ . 1 . 2]" 1
258 1 46 LEU HB2 1 74 ALA MB 2.430 . 3.168 2.609 2.157 2.781 . 0 0 "[ . 1 . 2]" 1
259 1 46 LEU QD 1 74 ALA MB 3.043 . 4.201 3.143 3.000 3.296 . 0 0 "[ . 1 . 2]" 1
260 1 37 MET ME 1 43 TYR H 3.609 . 5.237 5.813 4.744 7.245 2.008 18 12 "[***-. **1 **. *+**]" 1
261 1 43 TYR QE 1 44 MET ME 3.061 . 4.232 2.494 1.967 2.827 . 0 0 "[ . 1 . 2]" 1
262 1 37 MET ME 1 43 TYR QE 3.292 . 4.646 3.294 2.046 4.507 . 0 0 "[ . 1 . 2]" 1
263 1 37 MET ME 1 40 GLU HA 3.291 . 6.000 4.834 3.620 8.062 2.062 18 1 "[ . 1 . + 2]" 1
264 1 97 ALA HA 1 97 ALA MB 2.092 . 2.639 2.128 2.120 2.131 . 0 0 "[ . 1 . 2]" 1
265 1 82 MET HA 1 82 MET ME 3.241 . 4.554 3.809 2.749 4.749 0.195 14 0 "[ . 1 . 2]" 1
266 1 67 SER QB 1 97 ALA MB 2.403 . 3.125 2.552 2.114 2.859 . 0 0 "[ . 1 . 2]" 1
267 1 49 GLU HA 1 52 MET ME 2.510 . 3.298 2.434 2.000 4.678 1.380 4 2 "[ +. - 1 . 2]" 1
268 1 94 ALA HA 1 97 ALA MB 2.716 . 3.638 2.535 2.345 2.719 . 0 0 "[ . 1 . 2]" 1
269 1 68 GLY HA3 1 97 ALA MB 2.768 . 3.726 3.104 2.681 3.424 . 0 0 "[ . 1 . 2]" 1
270 1 68 GLY HA2 1 97 ALA MB 2.863 . 3.888 3.029 2.545 3.331 . 0 0 "[ . 1 . 2]" 1
271 1 94 ALA MB 1 97 ALA MB 3.297 . 4.656 3.736 3.528 3.902 . 0 0 "[ . 1 . 2]" 1
272 1 37 MET ME 1 41 PRO QB 3.416 . 4.875 2.832 2.108 6.199 1.324 18 1 "[ . 1 . + 2]" 1
273 1 45 MET ME 1 46 LEU QD 1.579 . 1.890 2.042 1.812 2.463 0.573 16 1 "[ . 1 .+ 2]" 1
274 1 44 MET ME 1 86 LEU QD 1.676 . 6.000 2.983 1.946 3.884 . 0 0 "[ . 1 . 2]" 1
275 1 43 TYR QD 1 78 ALA MB 3.777 . 5.560 3.147 2.826 3.458 . 0 0 "[ . 1 . 2]" 1
276 1 43 TYR QE 1 78 ALA MB 3.649 . 5.314 4.131 3.837 4.439 . 0 0 "[ . 1 . 2]" 1
277 1 50 ALA MB 1 71 TYR HD2 3.188 . 4.459 2.822 2.635 3.390 . 0 0 "[ . 1 . 2]" 1
278 1 98 TRP HA 1 101 MET ME 3.288 . 4.639 3.977 2.787 5.502 0.863 1 1 "[+ . 1 . 2]" 1
279 1 75 ALA HA 1 78 ALA MB 2.476 . 3.242 2.231 2.130 2.323 . 0 0 "[ . 1 . 2]" 1
280 1 50 ALA MB 1 71 TYR HA 2.779 . 3.744 2.969 2.755 3.275 . 0 0 "[ . 1 . 2]" 1
281 1 78 ALA MB 1 87 ALA HA 2.373 . 3.077 2.297 2.184 2.469 . 0 0 "[ . 1 . 2]" 1
282 1 78 ALA HA 1 78 ALA MB 2.158 . 2.740 2.126 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
283 1 50 ALA HA 1 50 ALA MB 2.118 . 2.679 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
284 1 43 TYR HB2 1 78 ALA MB 3.072 . 4.252 2.573 2.402 2.781 . 0 0 "[ . 1 . 2]" 1
285 1 47 ALA HA 1 50 ALA MB 2.348 . 3.037 2.230 2.140 2.323 . 0 0 "[ . 1 . 2]" 1
286 1 43 TYR HB3 1 78 ALA MB 3.308 . 4.676 2.928 2.569 3.166 . 0 0 "[ . 1 . 2]" 1
287 1 78 ALA MB 1 86 LEU QD 3.077 . 4.261 3.520 3.009 3.892 . 0 0 "[ . 1 . 2]" 1
288 1 41 PRO QB 1 43 TYR QD 4.724 . 7.514 3.501 3.298 3.881 . 0 0 "[ . 1 . 2]" 1
289 1 41 PRO QB 1 44 MET QG 3.816 . 5.637 2.641 2.032 2.959 . 0 0 "[ . 1 . 2]" 1
290 1 41 PRO QB 1 42 ARG HA 4.090 . 6.181 4.577 4.492 4.720 . 0 0 "[ . 1 . 2]" 1
291 1 49 GLU HA 1 70 LEU QD 4.714 . 7.492 4.238 3.901 5.037 . 0 0 "[ . 1 . 2]" 1
292 1 64 PRO QG 1 101 MET HG2 3.166 . 4.419 3.081 2.706 3.892 . 0 0 "[ . 1 . 2]" 1
293 1 12 TRP HA 1 12 TRP HD1 4.345 . 6.705 4.425 4.276 4.596 . 0 0 "[ . 1 . 2]" 1
294 1 44 MET QG 1 45 MET HA 4.372 . 6.761 5.791 5.712 5.888 . 0 0 "[ . 1 . 2]" 1
295 1 41 PRO QG 1 42 ARG HA 3.507 . 5.045 5.106 4.850 5.849 0.804 16 1 "[ . 1 .+ 2]" 1
296 1 46 LEU HA 1 49 GLU HG3 5.174 . 8.521 5.531 4.976 6.011 . 0 0 "[ . 1 . 2]" 1
297 1 49 GLU HG3 1 70 LEU QD 3.612 . 5.243 3.066 1.986 4.109 0.011 8 0 "[ . 1 . 2]" 1
298 1 70 LEU QD 1 70 LEU HG 2.053 . 2.580 1.895 1.887 1.899 . 0 0 "[ . 1 . 2]" 1
299 1 46 LEU HB3 1 46 LEU QD 2.400 . 3.120 2.283 2.112 2.340 . 0 0 "[ . 1 . 2]" 1
300 1 47 ALA HA 1 70 LEU QD 4.363 . 6.742 4.760 4.125 5.021 . 0 0 "[ . 1 . 2]" 1
301 1 43 TYR QE 1 78 ALA HA 4.084 . 6.168 3.886 3.531 4.392 . 0 0 "[ . 1 . 2]" 1
302 1 68 GLY HA3 1 94 ALA HA 2.939 . 4.019 3.390 3.087 3.724 . 0 0 "[ . 1 . 2]" 1
303 1 49 GLU HG2 1 50 ALA HA 3.953 . 5.906 4.502 3.768 5.506 . 0 0 "[ . 1 . 2]" 1
304 1 43 TYR HB3 1 78 ALA HA 3.563 . 5.150 3.035 2.585 3.420 . 0 0 "[ . 1 . 2]" 1
305 1 49 GLU HG3 1 50 ALA MB 4.824 . 7.733 5.374 4.585 5.861 . 0 0 "[ . 1 . 2]" 1
306 1 50 ALA MB 1 71 TYR HB2 3.939 . 5.878 3.520 3.297 3.847 . 0 0 "[ . 1 . 2]" 1
307 1 50 ALA MB 1 51 GLU H 3.497 . 5.025 2.524 2.465 2.589 . 0 0 "[ . 1 . 2]" 1
308 1 50 ALA MB 1 51 GLU HA 3.622 . 5.261 3.834 3.785 3.890 . 0 0 "[ . 1 . 2]" 1
309 1 71 TYR HB3 1 91 TYR HA 4.116 . 6.233 4.149 3.813 4.581 . 0 0 "[ . 1 . 2]" 1
310 1 90 TYR QB 1 91 TYR HA 5.036 . 8.206 4.055 3.948 4.186 . 0 0 "[ . 1 . 2]" 1
311 1 58 TYR HB2 1 58 TYR HE2 5.303 . 8.818 4.720 4.613 5.464 . 0 0 "[ . 1 . 2]" 1
312 1 87 ALA HA 1 90 TYR QB . . 4.939 2.940 2.757 3.037 . 0 0 "[ . 1 . 2]" 1
313 1 77 ALA MB 1 78 ALA MB 3.292 . 4.647 3.841 3.792 3.900 . 0 0 "[ . 1 . 2]" 1
314 1 94 ALA MB 1 98 TRP HE3 3.982 . 5.964 4.231 3.878 4.697 . 0 0 "[ . 1 . 2]" 1
315 1 68 GLY HA2 1 72 THR MG 3.519 . 5.066 3.847 3.679 4.042 . 0 0 "[ . 1 . 2]" 1
316 1 53 LEU QD 1 66 ARG HG2 2.958 . 4.052 3.436 2.273 4.346 0.294 7 0 "[ . 1 . 2]" 1
317 1 10 GLN QB 1 13 LEU QD 4.122 . 6.246 3.122 2.088 5.026 . 0 0 "[ . 1 . 2]" 1
318 1 13 LEU QD 1 14 GLU HG3 4.946 . 8.004 5.500 4.416 7.028 . 0 0 "[ . 1 . 2]" 1
319 1 93 LYS QE 1 93 LYS HG2 4.545 . 7.127 2.566 2.309 2.938 . 0 0 "[ . 1 . 2]" 1
320 1 86 LEU QD 1 89 GLN HB3 3.124 . 4.344 4.063 3.173 4.727 0.383 6 0 "[ . 1 . 2]" 1
321 1 13 LEU QD 1 14 GLU HB2 4.285 . 6.581 5.219 3.577 5.791 . 0 0 "[ . 1 . 2]" 1
322 1 90 TYR HA 1 93 LYS HG3 4.849 . 7.788 4.610 3.736 5.305 . 0 0 "[ . 1 . 2]" 1
323 1 62 LYS HG2 1 64 PRO HD3 4.541 . 7.119 5.203 2.933 5.679 . 0 0 "[ . 1 . 2]" 1
324 1 93 LYS QE 1 93 LYS HG3 4.406 . 6.833 2.876 2.448 3.513 . 0 0 "[ . 1 . 2]" 1
325 1 86 LEU QD 1 86 LEU HG 1.811 . 2.221 1.891 1.888 1.896 . 0 0 "[ . 1 . 2]" 1
326 1 83 LYS HB3 1 86 LEU HG 3.151 . 4.392 3.074 2.820 4.064 . 0 0 "[ . 1 . 2]" 1
327 1 86 LEU HA 1 86 LEU HG 3.774 . 5.554 3.554 2.491 3.748 . 0 0 "[ . 1 . 2]" 1
328 1 13 LEU HB2 1 13 LEU HG 2.851 . 3.867 2.720 2.387 3.012 . 0 0 "[ . 1 . 2]" 1
329 1 53 LEU HA 1 53 LEU HG 3.623 . 5.264 3.598 2.797 3.709 . 0 0 "[ . 1 . 2]" 1
330 1 49 GLU HA 1 60 LEU HG 3.833 . 5.670 4.517 3.806 7.811 2.141 14 1 "[ . 1 +. 2]" 1
331 1 53 LEU QD 1 66 ARG QD 4.119 . 6.240 2.075 1.845 2.851 0.153 13 0 "[ . 1 . 2]" 1
332 1 9 CYS QB 1 12 TRP HD1 4.675 . 7.408 3.612 2.155 5.188 . 0 0 "[ . 1 . 2]" 1
333 1 93 LYS HB2 1 93 LYS HD3 3.693 . 5.398 2.755 2.296 3.756 . 0 0 "[ . 1 . 2]" 1
334 1 93 LYS HB2 1 93 LYS HD2 4.276 . 6.562 3.328 2.631 3.830 . 0 0 "[ . 1 . 2]" 1
335 1 95 GLU HA 1 98 TRP HB3 3.801 . 5.607 4.868 4.595 5.106 . 0 0 "[ . 1 . 2]" 1
336 1 63 ASP HA 1 64 PRO QG 5.779 . 9.111 3.909 3.846 4.008 . 0 0 "[ . 1 . 2]" 1
337 1 77 ALA HA 1 80 GLU HB3 2.514 . 3.304 2.636 2.087 4.284 0.980 2 3 "[ + . 1-* . 2]" 1
338 1 64 PRO QG 1 101 MET HA 4.165 . 6.333 2.928 1.954 4.626 0.043 6 0 "[ . 1 . 2]" 1
339 1 69 ASP QB 1 70 LEU HA 4.440 . 6.904 4.101 3.803 4.223 . 0 0 "[ . 1 . 2]" 1
340 1 66 ARG QD 1 69 ASP QB 5.073 . 8.291 4.880 3.017 5.402 . 0 0 "[ . 1 . 2]" 1
341 1 53 LEU HA 1 63 ASP HB3 4.561 . 7.161 5.079 4.529 6.216 . 0 0 "[ . 1 . 2]" 1
342 1 63 ASP HB3 1 64 PRO HD3 5.840 . 10.103 4.859 4.640 4.891 . 0 0 "[ . 1 . 2]" 1
343 1 93 LYS HA 1 93 LYS QE 5.057 . 8.253 3.929 2.760 4.358 . 0 0 "[ . 1 . 2]" 1
344 1 66 ARG HG2 1 69 ASP QB 5.054 . 8.247 3.756 3.184 4.256 . 0 0 "[ . 1 . 2]" 1
345 1 23 LEU HB3 1 25 MET HA 4.987 . 8.095 6.996 5.106 8.381 0.286 18 0 "[ . 1 . 2]" 1
346 1 56 GLY QA 1 62 LYS HG3 5.882 . 10.207 5.071 4.077 6.746 . 0 0 "[ . 1 . 2]" 1
347 1 68 GLY HA3 1 94 ALA MB 3.663 . 5.340 3.214 3.010 3.599 . 0 0 "[ . 1 . 2]" 1
348 1 68 GLY HA2 1 94 ALA MB 4.274 . 6.558 2.763 2.608 3.104 . 0 0 "[ . 1 . 2]" 1
349 1 68 GLY HA3 1 71 TYR HD2 4.882 . 7.861 4.424 3.554 4.927 . 0 0 "[ . 1 . 2]" 1
350 1 68 GLY HA2 1 71 TYR HD2 6.260 . 11.159 2.849 1.991 3.362 . 0 0 "[ . 1 . 2]" 1
351 1 68 GLY HA2 1 94 ALA HA 4.392 . 6.803 2.405 2.198 2.642 . 0 0 "[ . 1 . 2]" 1
352 1 68 GLY HA2 1 98 TRP HD1 4.867 . 7.828 5.603 5.372 6.060 . 0 0 "[ . 1 . 2]" 1
353 1 63 ASP HA 1 64 PRO HB3 6.347 . 11.383 5.550 5.489 5.618 . 0 0 "[ . 1 . 2]" 1
354 1 62 LYS HG3 1 63 ASP HA 4.263 . 6.535 4.133 3.782 5.195 . 0 0 "[ . 1 . 2]" 1
355 1 64 PRO HD3 1 101 MET HG2 5.585 . 9.484 5.636 5.176 6.445 . 0 0 "[ . 1 . 2]" 1
356 1 62 LYS HG3 1 64 PRO HD3 3.365 . 4.780 3.705 3.319 4.268 . 0 0 "[ . 1 . 2]" 1
357 1 62 LYS HG3 1 64 PRO HD2 4.881 . 7.858 5.185 4.787 6.034 . 0 0 "[ . 1 . 2]" 1
358 1 63 ASP HB3 1 64 PRO HD2 5.649 . 9.639 4.844 4.220 4.961 . 0 0 "[ . 1 . 2]" 1
359 1 37 MET HA 1 41 PRO QD 5.242 . 8.677 7.032 5.592 9.302 0.625 18 1 "[ . 1 . + 2]" 1
360 1 75 ALA HA 1 90 TYR QB 3.489 . 5.011 2.770 2.555 2.889 . 0 0 "[ . 1 . 2]" 1
361 1 43 TYR HB3 1 74 ALA HA 4.098 . 6.197 3.538 3.132 3.947 . 0 0 "[ . 1 . 2]" 1
362 1 43 TYR HB2 1 74 ALA HA 4.265 . 6.539 3.634 3.447 3.862 . 0 0 "[ . 1 . 2]" 1
363 1 93 LYS HA 1 96 GLU HG3 5.400 . 9.045 4.668 3.092 5.385 . 0 0 "[ . 1 . 2]" 1
364 1 90 TYR HA 1 93 LYS HB2 4.419 . 6.860 2.954 2.151 3.579 . 0 0 "[ . 1 . 2]" 1
365 1 86 LEU HA 1 89 GLN QG 5.612 . 9.548 4.028 3.335 4.729 . 0 0 "[ . 1 . 2]" 1
366 1 85 ARG QG 1 86 LEU HA 3.811 . 5.627 3.708 3.385 3.917 . 0 0 "[ . 1 . 2]" 1
367 1 5 SER HA 1 6 PRO QD 2.062 . 2.593 1.996 1.805 2.231 . 0 0 "[ . 1 . 2]" 1
368 1 5 SER HA 1 5 SER HB2 2.451 . 3.202 2.798 2.512 3.035 . 0 0 "[ . 1 . 2]" 1
369 1 64 PRO HA 1 64 PRO HD3 4.338 . 6.690 3.642 3.607 3.694 . 0 0 "[ . 1 . 2]" 1
370 1 72 THR HA 1 73 GLN HA 4.181 . 6.366 4.766 4.719 4.790 . 0 0 "[ . 1 . 2]" 1
371 1 72 THR HA 1 91 TYR HD2 4.649 . 7.351 3.769 3.013 5.407 . 0 0 "[ . 1 . 2]" 1
372 1 55 THR HA 1 55 THR HB 2.473 . 3.237 2.506 2.439 2.558 . 0 0 "[ . 1 . 2]" 1
373 1 76 GLU QG 1 79 MET ME 1.579 . 1.891 2.208 1.853 4.346 2.455 10 2 "[ . + - . 2]" 1
374 1 43 TYR HB3 1 46 LEU QD 4.419 . 6.860 4.199 3.970 4.392 . 0 0 "[ . 1 . 2]" 1
375 1 48 ARG QG 1 52 MET ME 2.777 . 3.741 2.827 2.019 4.788 1.047 8 2 "[ -. + 1 . 2]" 1
376 1 48 ARG QD 1 52 MET ME 3.178 . 4.441 3.845 3.193 5.610 1.169 8 2 "[ -. + 1 . 2]" 1
377 1 43 TYR QD 1 74 ALA MB 4.552 . 7.142 4.369 4.075 4.561 . 0 0 "[ . 1 . 2]" 1
378 1 43 TYR H 1 74 ALA MB 4.367 . 6.751 5.240 5.036 5.436 . 0 0 "[ . 1 . 2]" 1
379 1 43 TYR H 1 47 ALA MB 3.982 . 5.964 5.957 5.853 6.095 0.131 4 0 "[ . 1 . 2]" 1
380 1 43 TYR QD 1 47 ALA MB 3.908 . 5.817 4.220 3.650 4.759 . 0 0 "[ . 1 . 2]" 1
381 1 15 ALA MB 1 88 ASN H 4.294 . 6.598 6.010 2.829 8.513 1.915 20 5 "[ - . * 1 * .* +]" 1
382 1 91 TYR QE 1 94 ALA MB 4.169 . 6.342 4.478 4.064 5.023 . 0 0 "[ . 1 . 2]" 1
383 1 41 PRO HA 1 44 MET ME 3.550 . 5.126 5.696 4.845 7.077 1.951 17 10 "[- **. ** **.*+ *]" 1
384 1 37 MET ME 1 37 MET HG3 2.122 . 2.685 2.581 2.413 3.399 0.714 6 2 "[ -.+ 1 . 2]" 1
385 1 44 MET ME 1 44 MET QG 2.220 . 2.836 2.228 2.221 2.236 . 0 0 "[ . 1 . 2]" 1
386 1 45 MET ME 1 45 MET HG3 2.472 . 3.236 3.118 2.436 3.407 0.171 11 0 "[ . 1 . 2]" 1
387 1 43 TYR QD 1 44 MET ME 3.509 . 5.048 3.854 3.210 4.155 . 0 0 "[ . 1 . 2]" 1
388 1 37 MET ME 1 83 LYS QE 3.247 . 4.565 3.673 2.686 5.592 1.027 12 1 "[ . 1 + . 2]" 1
389 1 44 MET ME 1 83 LYS QE 3.167 . 4.421 4.467 3.376 6.634 2.213 11 7 "[ * -+* *. * *]" 1
390 1 97 ALA MB 1 98 TRP HA 4.096 . 6.193 3.803 3.763 3.838 . 0 0 "[ . 1 . 2]" 1
391 1 90 TYR HA 1 94 ALA MB 4.152 . 6.307 4.742 4.477 4.861 . 0 0 "[ . 1 . 2]" 1
392 1 50 ALA MB 1 90 TYR HA 4.161 . 6.325 5.927 5.622 6.409 0.084 4 0 "[ . 1 . 2]" 1
393 1 65 GLN H 1 97 ALA MB 4.347 . 6.710 5.467 5.011 5.823 . 0 0 "[ . 1 . 2]" 1
394 1 3 HIS QB 1 34 TYR HD1 5.081 . 8.308 4.506 2.501 7.261 . 0 0 "[ . 1 . 2]" 1
395 1 41 PRO QG 1 44 MET QG 4.488 . 7.006 3.318 2.445 3.634 . 0 0 "[ . 1 . 2]" 1
396 1 90 TYR HA 1 93 LYS HD2 5.540 . 9.377 5.826 4.938 6.727 . 0 0 "[ . 1 . 2]" 1
397 1 90 TYR HA 1 93 LYS HD3 5.389 . 9.019 5.389 4.029 6.209 . 0 0 "[ . 1 . 2]" 1
398 1 12 TRP HZ3 1 15 ALA MB 4.193 . 6.390 6.694 5.462 7.404 1.014 19 6 "[* - * *1 * . +2]" 1
399 1 14 GLU HB2 1 15 ALA MB 3.187 . 4.457 4.323 3.874 5.391 0.934 9 5 "[-* .* +1 . *2]" 1
400 1 71 TYR HA 1 74 ALA MB 2.532 . 3.333 2.343 2.197 2.455 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLU HA 1 33 GLU HB2 2.712 . 3.631 2.727 2.448 3.025 . 0 0 "[ . 1 . 2]" 1
402 1 43 TYR HB2 1 44 MET QG 3.921 . 5.843 4.520 4.234 4.794 . 0 0 "[ . 1 . 2]" 1
403 1 15 ALA HA 1 16 LEU QD 3.908 . 5.817 5.109 4.231 5.870 0.053 11 0 "[ . 1 . 2]" 1
404 1 53 LEU QD 1 63 ASP HA 5.301 . 8.813 4.678 4.404 5.361 . 0 0 "[ . 1 . 2]" 1
405 1 9 CYS QB 1 13 LEU QD 4.133 . 6.268 4.317 1.983 6.418 0.150 17 0 "[ . 1 . 2]" 1
406 1 12 TRP HZ3 1 13 LEU QD 3.653 . 5.321 3.477 2.522 4.068 . 0 0 "[ . 1 . 2]" 1
407 1 13 LEU QD 1 84 GLY QA 4.269 . 6.547 5.060 4.102 6.701 0.154 19 0 "[ . 1 . 2]" 1
408 1 12 TRP HZ3 1 13 LEU HA 4.516 . 7.065 4.036 3.369 4.666 . 0 0 "[ . 1 . 2]" 1
409 1 15 ALA MB 1 18 TRP HD1 4.193 . 6.390 4.933 4.361 5.227 . 0 0 "[ . 1 . 2]" 1
410 1 11 ASP QB 1 15 ALA MB 3.617 . 6.000 4.259 3.405 5.951 . 0 0 "[ . 1 . 2]" 1
411 1 13 LEU HA 1 15 ALA MB 3.475 . 4.984 4.888 4.472 5.259 0.275 19 0 "[ . 1 . 2]" 1
412 1 16 LEU HA 1 16 LEU QB 3.166 . 4.419 2.438 2.341 2.513 . 0 0 "[ . 1 . 2]" 1
413 1 43 TYR H 1 43 TYR QD 3.366 . 4.782 2.003 1.727 2.603 0.223 19 0 "[ . 1 . 2]" 1
414 1 43 TYR HB2 1 43 TYR QD 3.726 . 5.462 2.341 2.293 2.478 . 0 0 "[ . 1 . 2]" 1
415 1 43 TYR HB3 1 43 TYR QD 3.702 . 5.415 2.464 2.340 2.549 . 0 0 "[ . 1 . 2]" 1
416 1 19 TYR QD 1 21 THR MG 4.064 . 6.129 3.699 2.021 5.766 . 0 0 "[ . 1 . 2]" 1
417 1 19 TYR H 1 19 TYR QD 4.402 . 6.824 4.048 2.391 4.380 . 0 0 "[ . 1 . 2]" 1
418 1 19 TYR HA 1 19 TYR QD 3.670 . 5.353 2.736 2.039 3.718 . 0 0 "[ . 1 . 2]" 1
419 1 90 TYR HA 1 90 TYR HD2 3.603 . 5.226 4.592 4.508 4.645 . 0 0 "[ . 1 . 2]" 1
420 1 18 TRP QB 1 18 TRP HD1 2.957 . 4.050 2.622 2.517 2.797 . 0 0 "[ . 1 . 2]" 1
421 1 12 TRP H 1 12 TRP HD1 3.093 . 4.289 2.471 2.010 2.816 . 0 0 "[ . 1 . 2]" 1
422 1 64 PRO HB2 1 98 TRP HD1 3.719 . 5.448 3.574 3.098 4.102 . 0 0 "[ . 1 . 2]" 1
423 1 95 GLU HA 1 98 TRP HE3 3.773 . 5.552 3.154 2.789 3.467 . 0 0 "[ . 1 . 2]" 1
424 1 58 TYR HA 1 58 TYR HE2 4.033 . 6.066 5.692 5.132 6.201 0.135 3 0 "[ . 1 . 2]" 1
425 1 16 LEU QD 1 19 TYR QE 3.138 . 4.369 4.336 2.612 6.807 2.438 14 3 "[ * - 1 +. 2]" 1
426 1 43 TYR H 1 90 TYR QE 3.229 . 6.000 5.836 5.101 6.547 0.547 20 1 "[ . 1 . +]" 1
427 1 44 MET HA 1 90 TYR QE 4.252 . 6.512 4.041 3.405 4.336 . 0 0 "[ . 1 . 2]" 1
428 1 43 TYR HB3 1 90 TYR QE 3.390 . 4.827 4.396 3.444 5.141 0.314 20 0 "[ . 1 . 2]" 1
429 1 43 TYR QD 1 90 TYR QE 2.995 . 4.116 2.159 1.838 2.689 0.036 13 0 "[ . 1 . 2]" 1
430 1 43 TYR HB2 1 90 TYR QE 3.614 . 5.247 2.784 1.971 3.522 0.010 12 0 "[ . 1 . 2]" 1
431 1 72 THR HA 1 91 TYR QE 3.963 . 5.926 4.243 2.988 5.437 . 0 0 "[ . 1 . 2]" 1
432 1 98 TRP H 1 98 TRP HD1 4.473 . 6.974 3.749 3.534 3.959 . 0 0 "[ . 1 . 2]" 1
433 1 98 TRP HB3 1 98 TRP HE3 3.731 . 5.471 3.472 3.383 3.593 . 0 0 "[ . 1 . 2]" 1
434 1 69 ASP HA 1 98 TRP HH2 4.568 . 7.176 3.998 3.495 4.789 . 0 0 "[ . 1 . 2]" 1
435 1 43 TYR QD 1 90 TYR HD2 4.131 . 6.265 4.093 3.639 4.625 . 0 0 "[ . 1 . 2]" 1
436 1 86 LEU QD 1 90 TYR HD2 4.171 . 6.345 4.140 3.949 4.917 . 0 0 "[ . 1 . 2]" 1
437 1 58 TYR HB3 1 58 TYR HD2 3.624 . 5.266 3.587 2.558 3.756 . 0 0 "[ . 1 . 2]" 1
438 1 58 TYR HB2 1 58 TYR HD2 3.645 . 5.306 2.496 2.305 3.723 . 0 0 "[ . 1 . 2]" 1
439 1 43 TYR HB2 1 90 TYR HD2 4.554 . 7.146 3.430 2.957 3.768 . 0 0 "[ . 1 . 2]" 1
440 1 43 TYR QD 1 44 MET H 4.704 . 7.470 3.346 2.992 3.612 . 0 0 "[ . 1 . 2]" 1
441 1 43 TYR QE 1 83 LYS QE 4.313 . 6.638 3.594 2.814 5.058 . 0 0 "[ . 1 . 2]" 1
442 1 54 PHE HZ 1 97 ALA MB 4.569 . 7.178 4.300 3.823 4.933 . 0 0 "[ . 1 . 2]" 1
443 1 43 TYR QD 1 44 MET HB2 5.205 . 8.592 4.735 4.208 5.129 . 0 0 "[ . 1 . 2]" 1
444 1 43 TYR QD 1 78 ALA H 5.175 . 8.522 4.356 4.026 4.698 . 0 0 "[ . 1 . 2]" 1
445 1 43 TYR HA 1 90 TYR QE 3.398 . 4.842 4.931 4.031 5.670 0.828 20 2 "[ . - 1 . +]" 1
446 1 15 ALA HA 1 18 TRP HD1 3.881 . 5.763 3.624 2.815 4.987 . 0 0 "[ . 1 . 2]" 1
447 1 43 TYR HB3 1 90 TYR HD2 5.499 . 9.279 4.701 3.987 5.174 . 0 0 "[ . 1 . 2]" 1
448 1 89 GLN HB3 1 90 TYR HD2 4.960 . 8.035 5.795 4.588 6.934 . 0 0 "[ . 1 . 2]" 1
449 1 43 TYR HA 1 90 TYR HD2 4.361 . 6.739 5.405 4.984 5.881 . 0 0 "[ . 1 . 2]" 1
450 1 87 ALA H 1 90 TYR HD2 5.095 . 8.340 4.749 4.314 5.210 . 0 0 "[ . 1 . 2]" 1
451 1 69 ASP HA 1 98 TRP HZ2 3.522 . 5.072 3.075 2.754 3.565 . 0 0 "[ . 1 . 2]" 1
452 1 89 GLN HE21 1 90 TYR QE 2.926 . 6.000 4.102 3.054 5.862 . 0 0 "[ . 1 . 2]" 1
453 1 11 ASP QB 1 12 TRP HD1 4.523 . 7.080 4.292 3.148 5.570 . 0 0 "[ . 1 . 2]" 1
454 1 71 TYR H 1 71 TYR HB3 4.193 . 6.390 3.541 3.476 3.586 . 0 0 "[ . 1 . 2]" 1
455 1 71 TYR H 1 71 TYR HB2 2.562 . 3.382 2.251 2.192 2.348 . 0 0 "[ . 1 . 2]" 1
456 1 91 TYR H 1 91 TYR HB2 2.635 . 3.503 2.412 2.199 2.782 . 0 0 "[ . 1 . 2]" 1
457 1 90 TYR H 1 90 TYR QB 2.781 . 3.748 2.476 2.434 2.501 . 0 0 "[ . 1 . 2]" 1
458 1 90 TYR H 1 90 TYR HA 2.973 . 4.078 2.795 2.773 2.816 . 0 0 "[ . 1 . 2]" 1
459 1 75 ALA MB 1 91 TYR H 3.426 . 4.893 2.993 2.843 3.157 . 0 0 "[ . 1 . 2]" 1
460 1 71 TYR H 1 71 TYR HD2 4.738 . 7.544 3.436 3.293 3.661 . 0 0 "[ . 1 . 2]" 1
461 1 91 TYR HB3 1 92 GLN H 3.715 . 5.440 2.942 2.426 3.447 . 0 0 "[ . 1 . 2]" 1
462 1 91 TYR HA 1 92 GLN H 3.677 . 5.367 3.528 3.506 3.559 . 0 0 "[ . 1 . 2]" 1
463 1 91 TYR HB2 1 92 GLN H 3.621 . 5.260 3.323 2.591 3.972 . 0 0 "[ . 1 . 2]" 1
464 1 12 TRP HE1 1 13 LEU QD 3.238 . 4.549 3.464 2.727 5.840 1.291 9 2 "[ - . +1 . 2]" 1
465 1 102 GLU HA 1 103 GLU H 2.226 . 2.845 2.749 2.126 3.405 0.560 12 2 "[ .- 1 + . 2]" 1
466 1 103 GLU H 1 103 GLU HA 2.913 . 3.973 2.847 2.262 2.946 . 0 0 "[ . 1 . 2]" 1
467 1 103 GLU H 1 103 GLU QB 3.183 . 3.564 2.596 2.233 3.008 . 0 0 "[ . 1 . 2]" 1
468 1 74 ALA H 1 76 GLU HB3 4.258 . 6.525 5.513 4.874 6.857 0.332 1 0 "[ . 1 . 2]" 1
469 1 72 THR H 1 74 ALA H 3.985 . 5.970 3.918 3.860 3.972 . 0 0 "[ . 1 . 2]" 1
470 1 74 ALA H 1 74 ALA HA 2.899 . 3.950 2.788 2.777 2.804 . 0 0 "[ . 1 . 2]" 1
471 1 73 GLN HB2 1 74 ALA H 2.794 . 3.770 2.730 2.477 3.843 0.073 13 0 "[ . 1 . 2]" 1
472 1 74 ALA H 1 74 ALA MB 2.402 . 3.123 2.230 2.222 2.236 . 0 0 "[ . 1 . 2]" 1
473 1 46 LEU QD 1 74 ALA H 3.749 . 5.505 3.182 3.030 3.414 . 0 0 "[ . 1 . 2]" 1
474 1 22 ALA H 1 23 LEU H 2.679 . 3.576 2.914 2.107 4.376 0.800 14 1 "[ . 1 +. 2]" 1
475 1 22 ALA H 1 22 ALA HA 2.218 . 2.833 2.697 2.248 2.944 0.111 17 0 "[ . 1 . 2]" 1
476 1 22 ALA H 1 22 ALA MB 2.089 . 2.635 2.510 2.223 2.965 0.330 4 0 "[ . 1 . 2]" 1
477 1 43 TYR HA 1 74 ALA H 4.516 . 7.066 5.237 5.012 5.531 . 0 0 "[ . 1 . 2]" 1
478 1 73 GLN HA 1 74 ALA H 3.727 . 5.464 3.544 3.530 3.554 . 0 0 "[ . 1 . 2]" 1
479 1 21 THR H 1 22 ALA H 2.764 . 3.719 3.325 2.163 4.536 0.817 4 4 "[ +* 1 - . *2]" 1
480 1 78 ALA H 1 80 GLU H 2.798 . 3.776 3.728 3.636 3.882 0.106 2 0 "[ . 1 . 2]" 1
481 1 77 ALA HA 1 78 ALA H 3.582 . 5.186 3.469 3.454 3.485 . 0 0 "[ . 1 . 2]" 1
482 1 43 TYR HA 1 78 ALA H 4.328 . 6.670 4.687 4.449 4.969 . 0 0 "[ . 1 . 2]" 1
483 1 78 ALA H 1 78 ALA HA 2.846 . 3.858 2.856 2.846 2.867 . 0 0 "[ . 1 . 2]" 1
484 1 77 ALA MB 1 78 ALA H 2.929 . 4.002 2.779 2.728 2.840 . 0 0 "[ . 1 . 2]" 1
485 1 78 ALA H 1 78 ALA MB 2.390 . 3.104 2.262 2.251 2.271 . 0 0 "[ . 1 . 2]" 1
486 1 75 ALA HA 1 78 ALA H 3.296 . 4.654 3.149 3.014 3.249 . 0 0 "[ . 1 . 2]" 1
487 1 43 TYR HB3 1 78 ALA H 3.341 . 4.737 2.912 2.700 3.172 . 0 0 "[ . 1 . 2]" 1
488 1 78 ALA H 1 87 ALA MB 3.587 . 5.195 4.103 3.927 4.206 . 0 0 "[ . 1 . 2]" 1
489 1 69 ASP H 1 98 TRP HE1 3.136 . 4.365 3.442 3.221 3.783 . 0 0 "[ . 1 . 2]" 1
490 1 66 ARG HA 1 69 ASP H 3.037 . 4.190 3.199 3.043 3.442 . 0 0 "[ . 1 . 2]" 1
491 1 68 GLY HA3 1 69 ASP H 3.759 . 5.525 2.913 2.889 2.933 . 0 0 "[ . 1 . 2]" 1
492 1 69 ASP H 1 69 ASP QB 2.795 . 3.771 2.277 2.229 2.329 . 0 0 "[ . 1 . 2]" 1
493 1 68 GLY HA2 1 69 ASP H 3.003 . 4.131 3.516 3.479 3.533 . 0 0 "[ . 1 . 2]" 1
494 1 41 PRO HA 1 42 ARG H 2.463 . 3.221 2.161 2.117 2.207 . 0 0 "[ . 1 . 2]" 1
495 1 42 ARG H 1 42 ARG HB3 3.452 . 4.942 2.927 2.272 3.615 . 0 0 "[ . 1 . 2]" 1
496 1 42 ARG H 1 42 ARG HG2 4.290 . 6.590 3.202 1.960 4.433 0.030 1 0 "[ . 1 . 2]" 1
497 1 41 PRO QB 1 42 ARG H 4.390 . 6.799 3.493 3.420 3.561 . 0 0 "[ . 1 . 2]" 1
498 1 60 LEU HA 1 61 GLU H 2.087 . 2.631 2.144 2.103 2.205 . 0 0 "[ . 1 . 2]" 1
499 1 61 GLU H 1 61 GLU HA 2.641 . 3.513 2.883 2.826 2.931 . 0 0 "[ . 1 . 2]" 1
500 1 61 GLU H 1 61 GLU HB3 2.662 . 3.548 2.887 2.343 3.660 0.112 12 0 "[ . 1 . 2]" 1
501 1 61 GLU H 1 61 GLU HB2 2.385 . 3.096 2.672 2.305 3.643 0.547 3 2 "[ + . 1 - 2]" 1
502 1 34 TYR HB3 1 35 ASP H 4.084 . 6.169 4.217 3.646 4.622 . 0 0 "[ . 1 . 2]" 1
503 1 28 CYS H 1 29 ASP H 3.344 . 4.742 3.443 2.056 4.589 . 0 0 "[ . 1 . 2]" 1
504 1 29 ASP H 1 29 ASP HA 2.970 . 4.073 2.821 2.264 2.943 . 0 0 "[ . 1 . 2]" 1
505 1 28 CYS HA 1 29 ASP H 2.236 . 2.861 2.495 2.117 2.991 0.130 3 0 "[ . 1 . 2]" 1
506 1 29 ASP H 1 29 ASP QB 2.879 . 3.915 2.572 2.222 2.975 . 0 0 "[ . 1 . 2]" 1
507 1 27 ASP QB 1 29 ASP H 2.917 . 6.000 4.698 2.603 6.304 0.304 4 0 "[ . 1 . 2]" 1
508 1 35 ASP H 1 36 GLY H 3.017 . 4.155 3.830 2.255 4.596 0.441 4 0 "[ . 1 . 2]" 1
509 1 34 TYR HA 1 35 ASP H 2.154 . 2.734 2.292 2.102 2.796 0.062 14 0 "[ . 1 . 2]" 1
510 1 34 TYR HB2 1 35 ASP H 4.071 . 6.142 4.433 4.131 4.619 . 0 0 "[ . 1 . 2]" 1
511 1 35 ASP H 1 35 ASP QB 2.307 . 2.972 2.561 2.063 2.917 . 0 0 "[ . 1 . 2]" 1
512 1 97 ALA H 1 98 TRP H 2.780 . 3.746 2.858 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
513 1 96 GLU QB 1 97 ALA H 2.661 . 3.546 2.511 2.358 2.722 . 0 0 "[ . 1 . 2]" 1
514 1 97 ALA H 1 97 ALA MB 2.311 . 2.979 2.237 2.218 2.252 . 0 0 "[ . 1 . 2]" 1
515 1 96 GLU H 1 97 ALA H 2.677 . 3.572 2.753 2.676 2.861 . 0 0 "[ . 1 . 2]" 1
516 1 97 ALA H 1 97 ALA HA 2.809 . 3.796 2.780 2.755 2.792 . 0 0 "[ . 1 . 2]" 1
517 1 39 ASP HA 1 40 GLU H 2.294 . 2.952 3.126 2.186 3.579 0.627 9 11 "[ * .* +1***-.** **]" 1
518 1 40 GLU H 1 40 GLU HA 2.891 . 3.935 2.902 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
519 1 39 ASP HB2 1 40 GLU H 3.356 . 4.764 3.609 1.945 4.232 0.003 12 0 "[ . 1 . 2]" 1
520 1 66 ARG HA 1 70 LEU H 4.057 . 6.115 3.871 3.748 4.022 . 0 0 "[ . 1 . 2]" 1
521 1 70 LEU H 1 70 LEU HB2 2.410 . 3.136 2.304 2.091 2.500 . 0 0 "[ . 1 . 2]" 1
522 1 70 LEU H 1 70 LEU HG 2.757 . 3.707 3.019 2.494 4.537 0.830 7 2 "[ . + 1 - 2]" 1
523 1 70 LEU H 1 70 LEU QD 3.328 . 4.712 3.112 2.324 3.697 . 0 0 "[ . 1 . 2]" 1
524 1 50 ALA MB 1 70 LEU H 4.180 . 6.364 3.876 3.716 4.144 . 0 0 "[ . 1 . 2]" 1
525 1 27 ASP H 1 27 ASP HA 2.987 . 4.102 2.905 2.785 2.947 . 0 0 "[ . 1 . 2]" 1
526 1 26 THR HA 1 27 ASP H 2.099 . 2.650 2.334 2.113 2.750 0.100 1 0 "[ . 1 . 2]" 1
527 1 27 ASP H 1 27 ASP QB 3.257 . 3.643 2.437 2.240 2.856 . 0 0 "[ . 1 . 2]" 1
528 1 26 THR MG 1 27 ASP H 4.062 . 6.125 3.833 1.792 4.281 0.207 9 0 "[ . 1 . 2]" 1
529 1 93 LYS HB2 1 94 ALA H 4.480 . 6.989 3.812 3.251 4.050 . 0 0 "[ . 1 . 2]" 1
530 1 74 ALA H 1 75 ALA H 2.697 . 3.606 2.757 2.712 2.796 . 0 0 "[ . 1 . 2]" 1
531 1 43 TYR HA 1 75 ALA H 4.019 . 6.038 5.823 5.539 6.098 0.060 8 0 "[ . 1 . 2]" 1
532 1 75 ALA H 1 90 TYR HD2 4.454 . 6.934 4.145 3.447 4.676 . 0 0 "[ . 1 . 2]" 1
533 1 75 ALA H 1 75 ALA HA 2.728 . 3.658 2.822 2.804 2.833 . 0 0 "[ . 1 . 2]" 1
534 1 74 ALA MB 1 75 ALA H 2.689 . 3.593 2.597 2.524 2.657 . 0 0 "[ . 1 . 2]" 1
535 1 75 ALA H 1 75 ALA MB 2.361 . 3.058 2.222 2.206 2.232 . 0 0 "[ . 1 . 2]" 1
536 1 85 ARG H 1 85 ARG HB3 2.948 . 4.034 2.592 2.484 2.781 . 0 0 "[ . 1 . 2]" 1
537 1 61 GLU HA 1 62 LYS H 1.999 . 2.498 2.205 2.116 2.458 . 0 0 "[ . 1 . 2]" 1
538 1 62 LYS H 1 62 LYS HA 2.706 . 3.621 2.837 2.790 2.919 . 0 0 "[ . 1 . 2]" 1
539 1 79 MET ME 1 80 GLU H 3.647 . 5.310 4.241 3.976 4.610 . 0 0 "[ . 1 . 2]" 1
540 1 80 GLU H 1 83 LYS H 3.095 . 6.000 4.796 4.668 5.084 . 0 0 "[ . 1 . 2]" 1
541 1 80 GLU H 1 81 ALA H 2.392 . 3.107 2.523 2.447 2.646 . 0 0 "[ . 1 . 2]" 1
542 1 77 ALA HA 1 80 GLU H 3.485 . 5.003 3.449 3.293 3.642 . 0 0 "[ . 1 . 2]" 1
543 1 80 GLU H 1 80 GLU HB3 2.192 . 2.793 2.650 2.275 3.592 0.799 2 3 "[ + . 1-* . 2]" 1
544 1 94 ALA H 1 95 GLU H 2.635 . 3.503 2.681 2.531 2.757 . 0 0 "[ . 1 . 2]" 1
545 1 91 TYR HA 1 94 ALA H 3.107 . 4.314 3.157 3.066 3.376 . 0 0 "[ . 1 . 2]" 1
546 1 94 ALA H 1 94 ALA HA 2.864 . 3.889 2.814 2.793 2.839 . 0 0 "[ . 1 . 2]" 1
547 1 94 ALA H 1 94 ALA MB 2.234 . 2.858 2.231 2.224 2.238 . 0 0 "[ . 1 . 2]" 1
548 1 12 TRP HA 1 15 ALA H 3.242 . 4.555 3.093 2.876 3.326 . 0 0 "[ . 1 . 2]" 1
549 1 15 ALA H 1 15 ALA HA 2.618 . 3.475 2.787 2.749 2.838 . 0 0 "[ . 1 . 2]" 1
550 1 14 GLU HA 1 15 ALA H 2.901 . 3.953 3.522 3.481 3.545 . 0 0 "[ . 1 . 2]" 1
551 1 14 GLU HB2 1 15 ALA H 2.585 . 3.421 2.875 2.421 3.924 0.503 6 1 "[ .+ 1 . 2]" 1
552 1 15 ALA H 1 16 LEU QB 4.635 . 7.320 4.534 4.294 4.908 . 0 0 "[ . 1 . 2]" 1
553 1 15 ALA H 1 15 ALA MB 2.208 . 2.818 2.216 2.200 2.233 . 0 0 "[ . 1 . 2]" 1
554 1 30 GLU H 1 30 GLU HB2 2.408 . 3.133 2.791 2.199 3.851 0.718 11 2 "[ . 1+- . 2]" 1
555 1 29 ASP HA 1 30 GLU H 2.474 . 3.239 2.251 2.127 2.787 . 0 0 "[ . 1 . 2]" 1
556 1 62 LYS H 1 63 ASP H 4.491 . 7.012 4.458 4.035 4.599 . 0 0 "[ . 1 . 2]" 1
557 1 62 LYS H 1 62 LYS HG2 2.791 . 3.765 2.360 1.997 4.461 0.696 3 1 "[ + . 1 . 2]" 1
558 1 43 TYR HA 1 77 ALA H 3.647 . 5.310 4.789 4.562 5.007 . 0 0 "[ . 1 . 2]" 1
559 1 77 ALA H 1 78 ALA H 2.571 . 3.397 2.541 2.457 2.634 . 0 0 "[ . 1 . 2]" 1
560 1 77 ALA H 1 77 ALA HA 2.692 . 3.598 2.833 2.804 2.853 . 0 0 "[ . 1 . 2]" 1
561 1 73 GLN HA 1 77 ALA H 4.013 . 6.026 4.146 3.980 4.332 . 0 0 "[ . 1 . 2]" 1
562 1 76 GLU HB3 1 77 ALA H 2.521 . 3.315 2.720 2.366 3.472 0.157 1 0 "[ . 1 . 2]" 1
563 1 77 ALA H 1 77 ALA MB 2.236 . 2.861 2.226 2.193 2.243 . 0 0 "[ . 1 . 2]" 1
564 1 77 ALA H 1 87 ALA MB 4.059 . 6.118 5.706 5.450 5.851 . 0 0 "[ . 1 . 2]" 1
565 1 80 GLU H 1 80 GLU HG3 4.275 . 6.560 4.386 3.769 4.538 . 0 0 "[ . 1 . 2]" 1
566 1 50 ALA H 1 50 ALA HA 2.667 . 3.556 2.775 2.755 2.792 . 0 0 "[ . 1 . 2]" 1
567 1 47 ALA HA 1 50 ALA H 3.013 . 4.148 3.199 3.114 3.278 . 0 0 "[ . 1 . 2]" 1
568 1 50 ALA H 1 70 LEU QD 3.470 . 4.975 3.053 2.348 3.600 . 0 0 "[ . 1 . 2]" 1
569 1 73 GLN H 1 73 GLN QG 3.603 . 5.226 2.678 2.181 4.038 . 0 0 "[ . 1 . 2]" 1
570 1 72 THR MG 1 73 GLN H 3.825 . 5.654 4.100 4.018 4.146 . 0 0 "[ . 1 . 2]" 1
571 1 73 GLN H 1 74 ALA H 2.607 . 3.457 2.606 2.577 2.646 . 0 0 "[ . 1 . 2]" 1
572 1 73 GLN H 1 73 GLN HA 2.927 . 3.998 2.834 2.827 2.848 . 0 0 "[ . 1 . 2]" 1
573 1 70 LEU HA 1 73 GLN H 3.288 . 4.639 3.315 3.112 3.480 . 0 0 "[ . 1 . 2]" 1
574 1 73 GLN H 1 73 GLN HB2 2.296 . 2.955 2.408 2.168 2.510 . 0 0 "[ . 1 . 2]" 1
575 1 59 GLY HA2 1 60 LEU H 3.552 . 5.129 3.355 3.162 3.529 . 0 0 "[ . 1 . 2]" 1
576 1 52 MET HB2 1 60 LEU H 4.364 . 6.744 6.234 5.615 7.652 0.908 14 1 "[ . 1 +. 2]" 1
577 1 13 LEU H 1 13 LEU HB2 2.357 . 3.051 2.422 2.264 2.575 . 0 0 "[ . 1 . 2]" 1
578 1 51 GLU H 1 51 GLU HA 2.845 . 3.857 2.823 2.809 2.839 . 0 0 "[ . 1 . 2]" 1
579 1 49 GLU HG2 1 50 ALA H 2.716 . 3.638 4.048 3.524 4.616 0.978 4 8 "[ +* **1 * . *-*2]" 1
580 1 101 MET H 1 102 GLU H 2.636 . 3.505 3.160 2.328 4.230 0.725 17 2 "[ . 1 - + 2]" 1
581 1 101 MET HA 1 102 GLU H 2.102 . 6.000 2.869 2.196 3.559 . 0 0 "[ . 1 . 2]" 1
582 1 102 GLU H 1 102 GLU QB . . 3.304 2.924 2.608 3.355 0.051 17 0 "[ . 1 . 2]" 1
583 1 99 ALA H 1 99 ALA HA 2.681 . 3.580 2.848 2.799 2.887 . 0 0 "[ . 1 . 2]" 1
584 1 99 ALA H 1 99 ALA MB 2.119 . 2.680 2.258 2.234 2.274 . 0 0 "[ . 1 . 2]" 1
585 1 12 TRP H 1 13 LEU H 2.056 . 2.584 2.538 2.279 2.637 0.053 14 0 "[ . 1 . 2]" 1
586 1 9 CYS HA 1 12 TRP H 4.600 . 7.245 4.437 3.682 5.506 . 0 0 "[ . 1 . 2]" 1
587 1 11 ASP QB 1 12 TRP H 2.985 . 4.099 2.859 2.278 3.794 . 0 0 "[ . 1 . 2]" 1
588 1 12 TRP H 1 13 LEU HB2 4.412 . 6.845 4.698 4.405 4.870 . 0 0 "[ . 1 . 2]" 1
589 1 59 GLY HA3 1 60 LEU H 3.190 . 4.462 3.129 2.721 3.360 . 0 0 "[ . 1 . 2]" 1
590 1 59 GLY H 1 60 LEU H 2.610 . 3.461 2.356 2.049 2.728 . 0 0 "[ . 1 . 2]" 1
591 1 60 LEU H 1 60 LEU HA 2.810 . 3.797 2.934 2.913 2.942 . 0 0 "[ . 1 . 2]" 1
592 1 86 LEU H 1 87 ALA H 2.401 . 3.122 2.659 2.614 2.719 . 0 0 "[ . 1 . 2]" 1
593 1 86 LEU H 1 86 LEU HA 2.852 . 3.869 2.817 2.805 2.831 . 0 0 "[ . 1 . 2]" 1
594 1 85 ARG HB3 1 86 LEU H 3.493 . 5.018 2.541 2.341 2.751 . 0 0 "[ . 1 . 2]" 1
595 1 86 LEU H 1 86 LEU HB2 2.345 . 3.032 2.309 2.231 2.400 . 0 0 "[ . 1 . 2]" 1
596 1 86 LEU H 1 86 LEU QD 3.728 . 5.465 2.250 1.901 3.318 0.090 6 0 "[ . 1 . 2]" 1
597 1 98 TRP H 1 99 ALA H 2.782 . 3.750 2.565 2.474 2.645 . 0 0 "[ . 1 . 2]" 1
598 1 34 TYR H 1 34 TYR HA 2.761 . 3.714 2.874 2.257 2.948 . 0 0 "[ . 1 . 2]" 1
599 1 33 GLU HA 1 34 TYR H 1.883 . 2.326 2.319 2.103 2.814 0.488 15 0 "[ . 1 . 2]" 1
600 1 34 TYR H 1 34 TYR HB3 2.972 . 4.076 3.025 2.464 3.734 . 0 0 "[ . 1 . 2]" 1
601 1 34 TYR H 1 34 TYR HB2 2.487 . 3.260 2.792 2.323 3.647 0.387 20 0 "[ . 1 . 2]" 1
602 1 62 LYS HA 1 63 ASP H 2.186 . 2.783 2.126 2.084 2.190 . 0 0 "[ . 1 . 2]" 1
603 1 63 ASP H 1 63 ASP HB2 3.637 . 5.290 3.264 2.597 3.518 . 0 0 "[ . 1 . 2]" 1
604 1 63 ASP H 1 63 ASP HB3 3.153 . 4.396 2.911 2.589 3.723 . 0 0 "[ . 1 . 2]" 1
605 1 62 LYS HG2 1 63 ASP H 4.651 . 7.355 4.948 3.771 5.236 . 0 0 "[ . 1 . 2]" 1
606 1 53 LEU QD 1 63 ASP H 3.318 . 4.694 3.075 2.792 3.713 . 0 0 "[ . 1 . 2]" 1
607 1 24 GLU HA 1 25 MET H 2.099 . 2.650 2.241 2.125 2.491 . 0 0 "[ . 1 . 2]" 1
608 1 10 GLN QB 1 11 ASP H 2.659 . 6.000 3.395 1.929 3.980 . 0 0 "[ . 1 . 2]" 1
609 1 71 TYR H 1 72 THR H 2.361 . 3.058 2.645 2.609 2.681 . 0 0 "[ . 1 . 2]" 1
610 1 68 GLY HA3 1 71 TYR H 3.489 . 5.011 4.482 4.379 4.597 . 0 0 "[ . 1 . 2]" 1
611 1 68 GLY HA2 1 71 TYR H 4.733 . 7.533 3.209 3.093 3.369 . 0 0 "[ . 1 . 2]" 1
612 1 71 TYR H 1 72 THR MG 4.152 . 6.307 4.575 4.408 4.693 . 0 0 "[ . 1 . 2]" 1
613 1 71 TYR H 1 94 ALA MB 4.536 . 7.108 4.160 4.020 4.391 . 0 0 "[ . 1 . 2]" 1
614 1 50 ALA MB 1 71 TYR H 2.896 . 3.944 2.819 2.687 3.026 . 0 0 "[ . 1 . 2]" 1
615 1 91 TYR H 1 92 GLN H 2.409 . 3.135 2.539 2.474 2.616 . 0 0 "[ . 1 . 2]" 1
616 1 88 ASN HA 1 91 TYR H 3.539 . 5.105 3.588 3.122 3.796 . 0 0 "[ . 1 . 2]" 1
617 1 90 TYR HA 1 91 TYR H 3.690 . 5.392 3.542 3.515 3.578 . 0 0 "[ . 1 . 2]" 1
618 1 91 TYR H 1 91 TYR HB3 3.759 . 5.525 3.069 2.536 3.606 . 0 0 "[ . 1 . 2]" 1
619 1 90 TYR QB 1 91 TYR H 3.270 . 4.607 2.850 2.746 2.978 . 0 0 "[ . 1 . 2]" 1
620 1 33 GLU H 1 33 GLU HA 2.359 . 3.054 2.697 2.251 2.933 . 0 0 "[ . 1 . 2]" 1
621 1 32 GLY HA3 1 33 GLU H 2.926 . 3.996 2.727 2.119 3.554 . 0 0 "[ . 1 . 2]" 1
622 1 32 GLY HA2 1 33 GLU H 2.220 . 2.836 3.030 2.202 3.573 0.737 12 9 "[ - *.* 1*+ *** * 2]" 1
623 1 33 GLU H 1 33 GLU QG 3.658 . 5.331 3.221 1.968 4.133 0.017 1 0 "[ . 1 . 2]" 1
624 1 33 GLU H 1 33 GLU HB2 2.362 . 3.059 2.963 2.362 3.937 0.878 11 3 "[* . 1+- . 2]" 1
625 1 89 GLN H 1 90 TYR H 2.817 . 3.809 2.913 2.848 2.964 . 0 0 "[ . 1 . 2]" 1
626 1 90 TYR H 1 90 TYR HD2 4.229 . 6.465 3.756 3.424 4.194 . 0 0 "[ . 1 . 2]" 1
627 1 87 ALA HA 1 90 TYR H 3.389 . 4.825 3.747 3.603 3.881 . 0 0 "[ . 1 . 2]" 1
628 1 10 GLN H 1 11 ASP H 2.639 . 3.509 2.164 1.775 2.739 . 0 0 "[ . 1 . 2]" 1
629 1 11 ASP H 1 11 ASP QB 2.395 . 3.112 2.358 2.240 2.496 . 0 0 "[ . 1 . 2]" 1
630 1 82 MET H 1 83 LYS H 2.343 . 3.029 2.655 2.563 2.782 . 0 0 "[ . 1 . 2]" 1
631 1 83 LYS H 1 83 LYS HB2 2.638 . 3.508 2.551 2.399 2.665 . 0 0 "[ . 1 . 2]" 1
632 1 83 LYS H 1 83 LYS HG3 2.915 . 3.977 3.808 2.893 4.226 0.249 3 0 "[ . 1 . 2]" 1
633 1 17 HIS HB2 1 18 TRP H 3.739 . 5.486 3.899 3.197 4.179 . 0 0 "[ . 1 . 2]" 1
634 1 49 GLU H 1 50 ALA H 2.426 . 3.162 2.617 2.578 2.653 . 0 0 "[ . 1 . 2]" 1
635 1 48 ARG H 1 49 GLU H 2.652 . 3.531 2.643 2.552 2.732 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLU H 1 49 GLU HA 2.773 . 3.734 2.827 2.814 2.844 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLU H 1 49 GLU HG3 4.553 . 7.145 4.454 4.408 4.489 . 0 0 "[ . 1 . 2]" 1
638 1 49 GLU H 1 49 GLU HB3 2.308 . 2.974 2.555 2.413 2.683 . 0 0 "[ . 1 . 2]" 1
639 1 48 ARG HB3 1 49 GLU H 2.290 . 2.946 2.523 2.423 2.648 . 0 0 "[ . 1 . 2]" 1
640 1 43 TYR H 1 45 MET H 4.268 . 6.545 4.216 4.014 4.420 . 0 0 "[ . 1 . 2]" 1
641 1 44 MET H 1 45 MET H 2.335 . 3.016 2.500 2.434 2.575 . 0 0 "[ . 1 . 2]" 1
642 1 44 MET HA 1 45 MET H 3.442 . 4.923 3.514 3.479 3.536 . 0 0 "[ . 1 . 2]" 1
643 1 45 MET H 1 45 MET HG2 4.647 . 7.346 4.399 4.290 4.466 . 0 0 "[ . 1 . 2]" 1
644 1 45 MET H 1 45 MET HB3 2.285 . 2.938 2.533 2.388 2.771 . 0 0 "[ . 1 . 2]" 1
645 1 45 MET H 1 46 LEU H 2.331 . 3.010 2.537 2.488 2.637 . 0 0 "[ . 1 . 2]" 1
646 1 44 MET HB2 1 45 MET H 2.821 . 3.816 2.799 2.626 3.001 . 0 0 "[ . 1 . 2]" 1
647 1 90 TYR H 1 91 TYR H 2.862 . 3.886 2.802 2.728 2.887 . 0 0 "[ . 1 . 2]" 1
648 1 39 ASP H 1 39 ASP HA 2.564 . 3.386 2.743 2.254 2.937 . 0 0 "[ . 1 . 2]" 1
649 1 38 GLN HA 1 39 ASP H 2.247 . 2.878 2.513 2.161 3.556 0.678 17 1 "[ . 1 . + 2]" 1
650 1 39 ASP H 1 39 ASP HB3 3.409 . 4.861 3.185 2.450 4.143 . 0 0 "[ . 1 . 2]" 1
651 1 38 GLN HB3 1 39 ASP H 3.124 . 4.344 3.830 2.268 4.582 0.238 12 0 "[ . 1 . 2]" 1
652 1 24 GLU H 1 24 GLU QG 3.940 . 5.880 3.626 1.945 4.176 0.055 12 0 "[ . 1 . 2]" 1
653 1 24 GLU H 1 24 GLU HB3 2.731 . 3.663 2.901 2.376 4.083 0.420 11 0 "[ . 1 . 2]" 1
654 1 24 GLU H 1 24 GLU HB2 2.240 . 2.867 2.761 2.176 3.597 0.730 12 2 "[ . 1-+ . 2]" 1
655 1 54 PHE H 1 56 GLY H 2.845 . 3.857 3.535 3.347 3.773 . 0 0 "[ . 1 . 2]" 1
656 1 7 ASP HA 1 8 ARG H 2.793 . 3.768 3.414 2.892 3.545 . 0 0 "[ . 1 . 2]" 1
657 1 54 PHE H 1 54 PHE HB3 2.634 . 3.501 2.568 2.459 2.637 . 0 0 "[ . 1 . 2]" 1
658 1 54 PHE H 1 54 PHE HB2 2.636 . 3.505 2.603 2.507 2.724 . 0 0 "[ . 1 . 2]" 1
659 1 8 ARG H 1 8 ARG HD3 4.760 . 7.592 4.863 4.225 6.357 . 0 0 "[ . 1 . 2]" 1
660 1 19 TYR H 1 19 TYR HB2 3.236 . 4.545 2.766 2.253 3.565 . 0 0 "[ . 1 . 2]" 1
661 1 93 LYS H 1 95 GLU H 4.198 . 6.400 3.797 3.608 3.949 . 0 0 "[ . 1 . 2]" 1
662 1 90 TYR HA 1 93 LYS H 3.435 . 4.910 3.165 3.017 3.315 . 0 0 "[ . 1 . 2]" 1
663 1 91 TYR HA 1 93 LYS H 3.791 . 5.588 3.836 3.731 3.958 . 0 0 "[ . 1 . 2]" 1
664 1 92 GLN HA 1 93 LYS H 3.432 . 4.905 3.443 3.405 3.498 . 0 0 "[ . 1 . 2]" 1
665 1 93 LYS H 1 93 LYS HA 2.904 . 3.958 2.905 2.897 2.921 . 0 0 "[ . 1 . 2]" 1
666 1 92 GLN QB 1 93 LYS H 3.077 . 4.261 2.898 2.753 3.068 . 0 0 "[ . 1 . 2]" 1
667 1 93 LYS H 1 93 LYS HD2 4.652 . 7.357 5.000 3.574 5.954 . 0 0 "[ . 1 . 2]" 1
668 1 93 LYS H 1 93 LYS HB3 2.581 . 3.413 2.632 2.424 3.372 . 0 0 "[ . 1 . 2]" 1
669 1 93 LYS H 1 93 LYS HB2 3.175 . 4.435 2.624 2.224 2.861 . 0 0 "[ . 1 . 2]" 1
670 1 37 MET HA 1 38 GLN H 2.231 . 2.853 2.306 2.105 3.443 0.590 18 1 "[ . 1 . + 2]" 1
671 1 38 GLN H 1 38 GLN HA 2.771 . 3.731 2.879 2.751 2.945 . 0 0 "[ . 1 . 2]" 1
672 1 38 GLN H 1 38 GLN HG3 3.556 . 5.137 3.227 1.988 4.839 . 0 0 "[ . 1 . 2]" 1
673 1 38 GLN H 1 38 GLN HB3 3.225 . 4.525 3.285 2.514 3.775 . 0 0 "[ . 1 . 2]" 1
674 1 38 GLN H 1 38 GLN HB2 2.537 . 3.342 2.805 2.386 3.803 0.461 12 0 "[ . 1 . 2]" 1
675 1 7 ASP HB3 1 8 ARG H 4.424 . 6.870 3.393 2.591 4.393 . 0 0 "[ . 1 . 2]" 1
676 1 46 LEU H 1 46 LEU HB2 2.370 . 3.072 2.270 2.192 2.507 . 0 0 "[ . 1 . 2]" 1
677 1 45 MET HB3 1 46 LEU H 2.390 . 3.104 2.475 2.374 2.566 . 0 0 "[ . 1 . 2]" 1
678 1 54 PHE H 1 55 THR MG 3.982 . 5.964 4.484 3.953 4.954 . 0 0 "[ . 1 . 2]" 1
679 1 46 LEU H 1 46 LEU HB3 3.623 . 5.263 3.535 3.495 3.592 . 0 0 "[ . 1 . 2]" 1
680 1 46 LEU H 1 46 LEU QD 2.764 . 3.719 2.331 2.184 3.039 . 0 0 "[ . 1 . 2]" 1
681 1 19 TYR H 1 19 TYR HB3 3.221 . 4.518 2.978 2.299 4.104 . 0 0 "[ . 1 . 2]" 1
682 1 89 GLN H 1 89 GLN HA 2.790 . 3.763 2.781 2.765 2.802 . 0 0 "[ . 1 . 2]" 1
683 1 86 LEU HA 1 89 GLN H 3.090 . 4.284 3.535 3.361 3.705 . 0 0 "[ . 1 . 2]" 1
684 1 88 ASN HB3 1 89 GLN H 2.807 . 3.792 2.560 2.269 3.320 . 0 0 "[ . 1 . 2]" 1
685 1 89 GLN H 1 89 GLN QG 4.013 . 4.363 3.029 2.053 3.967 . 0 0 "[ . 1 . 2]" 1
686 1 89 GLN H 1 89 GLN HB2 2.650 . 3.528 2.482 2.402 2.592 . 0 0 "[ . 1 . 2]" 1
687 1 23 LEU H 1 24 GLU H 2.456 . 3.210 2.911 2.144 4.543 1.333 17 3 "[ - . 1* . + 2]" 1
688 1 96 GLU H 1 96 GLU HA 2.709 . 3.627 2.795 2.769 2.818 . 0 0 "[ . 1 . 2]" 1
689 1 93 LYS HA 1 96 GLU H 3.028 . 4.174 3.175 3.059 3.415 . 0 0 "[ . 1 . 2]" 1
690 1 95 GLU HB2 1 96 GLU H 2.460 . 3.216 3.021 2.310 3.917 0.701 11 7 "[ -*** 1+ * * 2]" 1
691 1 96 GLU H 1 96 GLU QB 2.287 . 2.941 2.256 2.198 2.413 . 0 0 "[ . 1 . 2]" 1
692 1 22 ALA MB 1 23 LEU H 2.722 . 3.648 2.626 2.008 3.706 0.058 15 0 "[ . 1 . 2]" 1
693 1 88 ASN HA 1 89 GLN H 3.659 . 5.332 3.565 3.541 3.581 . 0 0 "[ . 1 . 2]" 1
694 1 43 TYR HA 1 44 MET H 3.454 . 4.945 3.484 3.437 3.515 . 0 0 "[ . 1 . 2]" 1
695 1 8 ARG H 1 9 CYS H 3.336 . 4.727 3.050 1.760 4.512 0.185 13 0 "[ . 1 . 2]" 1
696 1 9 CYS H 1 9 CYS QB 3.504 . 5.039 2.741 2.370 3.242 . 0 0 "[ . 1 . 2]" 1
697 1 8 ARG HB2 1 9 CYS H 3.717 . 5.444 4.343 3.297 4.630 . 0 0 "[ . 1 . 2]" 1
698 1 13 LEU H 1 14 GLU H 2.521 . 3.315 2.615 2.488 2.777 . 0 0 "[ . 1 . 2]" 1
699 1 14 GLU H 1 14 GLU HA 2.608 . 3.458 2.834 2.791 2.865 . 0 0 "[ . 1 . 2]" 1
700 1 14 GLU H 1 14 GLU HG3 3.669 . 5.352 3.559 2.135 4.501 . 0 0 "[ . 1 . 2]" 1
701 1 14 GLU H 1 14 GLU HB2 2.143 . 2.717 2.440 2.266 2.631 . 0 0 "[ . 1 . 2]" 1
702 1 13 LEU HB2 1 14 GLU H 2.422 . 3.155 2.692 2.413 3.705 0.550 9 1 "[ . +1 . 2]" 1
703 1 13 LEU HG 1 14 GLU H 4.489 . 7.008 4.791 4.205 5.365 . 0 0 "[ . 1 . 2]" 1
704 1 47 ALA H 1 47 ALA MB 2.191 . 2.791 2.263 2.254 2.272 . 0 0 "[ . 1 . 2]" 1
705 1 81 ALA H 1 83 LYS H 3.400 . 4.845 3.519 3.303 3.798 . 0 0 "[ . 1 . 2]" 1
706 1 81 ALA H 1 81 ALA HA 2.837 . 3.843 2.908 2.887 2.937 . 0 0 "[ . 1 . 2]" 1
707 1 77 ALA HA 1 81 ALA H 4.010 . 6.020 4.187 3.963 4.471 . 0 0 "[ . 1 . 2]" 1
708 1 78 ALA HA 1 81 ALA H 3.213 . 4.504 3.362 3.203 3.480 . 0 0 "[ . 1 . 2]" 1
709 1 80 GLU HB3 1 81 ALA H 2.797 . 3.775 2.890 2.558 3.999 0.224 12 0 "[ . 1 . 2]" 1
710 1 81 ALA H 1 81 ALA MB 2.295 . 2.953 2.295 2.263 2.342 . 0 0 "[ . 1 . 2]" 1
711 1 44 MET H 1 46 LEU H 3.641 . 5.298 4.019 3.887 4.199 . 0 0 "[ . 1 . 2]" 1
712 1 44 MET H 1 44 MET HA 2.912 . 3.972 2.857 2.845 2.875 . 0 0 "[ . 1 . 2]" 1
713 1 42 ARG HA 1 44 MET H 3.771 . 5.549 4.050 3.749 4.265 . 0 0 "[ . 1 . 2]" 1
714 1 41 PRO QG 1 44 MET H 4.322 . 6.657 3.906 3.560 4.340 . 0 0 "[ . 1 . 2]" 1
715 1 44 MET H 1 44 MET HB2 2.419 . 3.151 2.339 2.247 2.406 . 0 0 "[ . 1 . 2]" 1
716 1 41 PRO QB 1 44 MET H 2.894 . 3.941 2.648 2.228 2.989 . 0 0 "[ . 1 . 2]" 1
717 1 65 GLN HG3 1 66 ARG H 4.905 . 7.913 3.966 3.346 4.883 . 0 0 "[ . 1 . 2]" 1
718 1 65 GLN HB3 1 66 ARG H 2.417 . 3.148 2.479 2.284 3.452 0.304 18 0 "[ . 1 . 2]" 1
719 1 46 LEU H 1 47 ALA H 2.626 . 3.488 2.669 2.610 2.740 . 0 0 "[ . 1 . 2]" 1
720 1 45 MET H 1 47 ALA H 3.991 . 5.982 3.840 3.707 3.925 . 0 0 "[ . 1 . 2]" 1
721 1 44 MET HA 1 47 ALA H 3.163 . 4.414 3.352 3.194 3.480 . 0 0 "[ . 1 . 2]" 1
722 1 43 TYR HA 1 47 ALA H 3.485 . 5.003 3.890 3.766 4.023 . 0 0 "[ . 1 . 2]" 1
723 1 47 ALA H 1 47 ALA HA 2.733 . 3.667 2.877 2.872 2.880 . 0 0 "[ . 1 . 2]" 1
724 1 46 LEU HB2 1 47 ALA H 2.869 . 3.898 2.936 2.801 3.064 . 0 0 "[ . 1 . 2]" 1
725 1 46 LEU QD 1 47 ALA H 4.604 . 7.253 3.995 3.924 4.226 . 0 0 "[ . 1 . 2]" 1
726 1 58 TYR H 1 59 GLY H 3.552 . 5.130 3.671 2.718 4.178 . 0 0 "[ . 1 . 2]" 1
727 1 58 TYR H 1 58 TYR HA 2.865 . 3.891 2.720 2.266 2.943 . 0 0 "[ . 1 . 2]" 1
728 1 57 GLY HA3 1 58 TYR H 2.606 . 3.455 2.677 2.285 3.546 0.091 6 0 "[ . 1 . 2]" 1
729 1 58 TYR H 1 58 TYR HB2 3.107 . 4.314 2.798 2.399 3.576 . 0 0 "[ . 1 . 2]" 1
730 1 78 ALA H 1 79 MET H 2.617 . 3.473 2.635 2.590 2.692 . 0 0 "[ . 1 . 2]" 1
731 1 79 MET H 1 80 GLU H 2.285 . 2.937 2.543 2.472 2.617 . 0 0 "[ . 1 . 2]" 1
732 1 77 ALA HA 1 79 MET H 4.156 . 6.315 4.670 4.587 4.763 . 0 0 "[ . 1 . 2]" 1
733 1 79 MET H 1 79 MET HA 2.774 . 3.736 2.838 2.819 2.852 . 0 0 "[ . 1 . 2]" 1
734 1 76 GLU HA 1 79 MET H 3.996 . 5.992 3.596 3.499 3.777 . 0 0 "[ . 1 . 2]" 1
735 1 78 ALA HA 1 79 MET H 3.654 . 5.323 3.568 3.559 3.582 . 0 0 "[ . 1 . 2]" 1
736 1 79 MET H 1 79 MET HB3 2.220 . 2.836 2.510 2.456 2.562 . 0 0 "[ . 1 . 2]" 1
737 1 79 MET H 1 87 ALA MB 2.657 . 3.539 2.533 2.328 2.772 . 0 0 "[ . 1 . 2]" 1
738 1 78 ALA MB 1 79 MET H 2.531 . 3.332 2.374 2.322 2.441 . 0 0 "[ . 1 . 2]" 1
739 1 79 MET H 1 79 MET QG 2.519 . 3.312 2.353 2.200 3.969 0.657 10 1 "[ . + . 2]" 1
740 1 37 MET H 1 38 GLN H 3.066 . 4.241 4.017 2.643 4.624 0.383 10 0 "[ . 1 . 2]" 1
741 1 36 GLY H 1 37 MET H 2.607 . 3.457 2.961 1.858 4.341 0.884 12 1 "[ . 1 + . 2]" 1
742 1 35 ASP HA 1 37 MET H 3.763 . 5.533 4.298 3.431 6.085 0.552 12 1 "[ . 1 + . 2]" 1
743 1 37 MET H 1 37 MET HA 2.481 . 3.251 2.762 2.255 2.940 . 0 0 "[ . 1 . 2]" 1
744 1 36 GLY HA3 1 37 MET H 2.564 . 3.386 3.192 2.243 3.553 0.167 6 0 "[ . 1 . 2]" 1
745 1 36 GLY HA2 1 37 MET H 3.318 . 4.694 3.033 2.386 3.534 . 0 0 "[ . 1 . 2]" 1
746 1 37 MET H 1 37 MET HG3 4.103 . 6.208 4.164 1.700 4.889 0.298 4 0 "[ . 1 . 2]" 1
747 1 37 MET H 1 37 MET QB 2.233 . 2.856 2.443 2.168 2.996 0.140 8 0 "[ . 1 . 2]" 1
748 1 63 ASP HB2 1 66 ARG H 3.894 . 5.790 4.407 3.564 4.552 . 0 0 "[ . 1 . 2]" 1
749 1 87 ALA H 1 87 ALA HA 2.561 . 3.381 2.783 2.758 2.799 . 0 0 "[ . 1 . 2]" 1
750 1 83 LYS HB3 1 87 ALA H 3.879 . 5.760 3.935 3.694 4.246 . 0 0 "[ . 1 . 2]" 1
751 1 87 ALA H 1 87 ALA MB 2.112 . 2.670 2.234 2.226 2.245 . 0 0 "[ . 1 . 2]" 1
752 1 86 LEU HB3 1 87 ALA H 3.198 . 4.476 3.289 3.174 3.441 . 0 0 "[ . 1 . 2]" 1
753 1 86 LEU HB2 1 87 ALA H 2.447 . 3.196 2.555 2.445 2.715 . 0 0 "[ . 1 . 2]" 1
754 1 86 LEU QD 1 87 ALA H 4.354 . 6.723 3.813 3.623 4.065 . 0 0 "[ . 1 . 2]" 1
755 1 92 GLN H 1 92 GLN QG 4.109 . 5.807 3.953 3.891 4.017 . 0 0 "[ . 1 . 2]" 1
756 1 92 GLN H 1 92 GLN QB 2.541 . 3.348 2.215 2.175 2.265 . 0 0 "[ . 1 . 2]" 1
757 1 27 ASP H 1 28 CYS H 3.318 . 4.694 3.422 2.072 4.138 . 0 0 "[ . 1 . 2]" 1
758 1 20 ASN H 1 20 ASN HA 2.902 . 3.954 2.839 2.262 2.946 . 0 0 "[ . 1 . 2]" 1
759 1 19 TYR HA 1 20 ASN H 2.573 . 3.400 2.367 2.095 2.829 . 0 0 "[ . 1 . 2]" 1
760 1 20 ASN H 1 20 ASN HB2 2.977 . 4.085 2.956 2.452 3.675 . 0 0 "[ . 1 . 2]" 1
761 1 16 LEU H 1 17 HIS H 2.877 . 3.912 2.582 2.407 2.708 . 0 0 "[ . 1 . 2]" 1
762 1 14 GLU HA 1 16 LEU H 4.171 . 6.345 4.431 4.200 4.768 . 0 0 "[ . 1 . 2]" 1
763 1 16 LEU H 1 16 LEU QB 2.140 . 2.712 2.197 2.055 2.454 . 0 0 "[ . 1 . 2]" 1
764 1 15 ALA MB 1 16 LEU H 2.323 . 2.997 2.444 2.316 2.632 . 0 0 "[ . 1 . 2]" 1
765 1 47 ALA H 1 48 ARG H 2.691 . 3.596 2.390 2.355 2.427 . 0 0 "[ . 1 . 2]" 1
766 1 44 MET HA 1 48 ARG H 3.680 . 5.373 3.838 3.721 3.929 . 0 0 "[ . 1 . 2]" 1
767 1 48 ARG H 1 48 ARG HA 2.849 . 3.864 2.818 2.800 2.837 . 0 0 "[ . 1 . 2]" 1
768 1 47 ALA HA 1 48 ARG H 3.398 . 4.841 3.516 3.500 3.534 . 0 0 "[ . 1 . 2]" 1
769 1 48 ARG H 1 48 ARG QD 4.759 . 7.590 4.492 4.312 4.740 . 0 0 "[ . 1 . 2]" 1
770 1 48 ARG H 1 48 ARG HB3 2.173 . 2.763 2.539 2.458 2.671 . 0 0 "[ . 1 . 2]" 1
771 1 48 ARG H 1 48 ARG QG 4.154 . 6.311 3.971 3.956 4.061 . 0 0 "[ . 1 . 2]" 1
772 1 47 ALA MB 1 48 ARG H 2.929 . 4.001 2.665 2.604 2.698 . 0 0 "[ . 1 . 2]" 1
773 1 51 GLU H 1 52 MET H 2.591 . 3.430 2.620 2.555 2.671 . 0 0 "[ . 1 . 2]" 1
774 1 49 GLU HA 1 52 MET H 3.315 . 4.688 3.293 3.025 3.503 . 0 0 "[ . 1 . 2]" 1
775 1 52 MET H 1 52 MET HG3 2.684 . 3.585 2.466 2.367 2.651 . 0 0 "[ . 1 . 2]" 1
776 1 4 MET HA 1 5 SER H 2.328 . 3.005 2.358 2.121 3.494 0.489 10 0 "[ . 1 . 2]" 1
777 1 7 ASP H 1 7 ASP HA 2.753 . 3.701 2.864 2.802 2.951 . 0 0 "[ . 1 . 2]" 1
778 1 7 ASP H 1 7 ASP HB3 3.273 . 4.612 2.833 2.379 3.621 . 0 0 "[ . 1 . 2]" 1
779 1 7 ASP H 1 8 ARG H 2.788 . 3.760 2.516 1.941 3.005 . 0 0 "[ . 1 . 2]" 1
780 1 7 ASP H 1 7 ASP HB2 2.723 . 3.650 2.769 2.346 3.641 . 0 0 "[ . 1 . 2]" 1
781 1 98 TRP HA 1 101 MET H 3.799 . 5.603 3.969 3.365 4.471 . 0 0 "[ . 1 . 2]" 1
782 1 101 MET H 1 101 MET HA 2.441 . 3.186 2.489 2.253 2.907 . 0 0 "[ . 1 . 2]" 1
783 1 100 GLN HA 1 101 MET H 3.081 . 4.267 3.456 3.064 3.589 . 0 0 "[ . 1 . 2]" 1
784 1 101 MET H 1 101 MET HG3 2.663 . 3.549 2.851 2.163 4.275 0.726 2 1 "[ + . 1 . 2]" 1
785 1 101 MET H 1 101 MET HG2 3.515 . 5.059 3.354 2.405 4.529 . 0 0 "[ . 1 . 2]" 1
786 1 53 LEU H 1 54 PHE H 2.394 . 3.110 2.348 2.266 2.501 . 0 0 "[ . 1 . 2]" 1
787 1 50 ALA HA 1 53 LEU H 3.528 . 5.084 3.319 3.209 3.434 . 0 0 "[ . 1 . 2]" 1
788 1 53 LEU H 1 53 LEU HB2 2.237 . 2.862 2.169 2.118 2.293 . 0 0 "[ . 1 . 2]" 1
789 1 53 LEU H 1 53 LEU HB3 3.620 . 5.258 3.447 3.399 3.552 . 0 0 "[ . 1 . 2]" 1
790 1 53 LEU H 1 53 LEU QD 3.970 . 4.340 2.704 2.496 3.396 . 0 0 "[ . 1 . 2]" 1
791 1 73 GLN HA 1 76 GLU H 3.289 . 4.641 3.311 3.159 3.422 . 0 0 "[ . 1 . 2]" 1
792 1 76 GLU H 1 76 GLU HA 2.823 . 3.819 2.802 2.793 2.817 . 0 0 "[ . 1 . 2]" 1
793 1 76 GLU H 1 76 GLU QG 3.440 . 4.919 3.575 2.321 4.029 . 0 0 "[ . 1 . 2]" 1
794 1 76 GLU H 1 76 GLU HB3 2.385 . 3.096 2.822 2.420 3.599 0.503 19 3 "[-* . 1 . +2]" 1
795 1 75 ALA MB 1 76 GLU H 2.891 . 3.935 2.584 2.530 2.615 . 0 0 "[ . 1 . 2]" 1
796 1 16 LEU QB 1 17 HIS H 3.507 . 5.044 2.988 2.567 3.261 . 0 0 "[ . 1 . 2]" 1
797 1 17 HIS H 1 17 HIS HA 2.980 . 4.090 2.858 2.789 2.918 . 0 0 "[ . 1 . 2]" 1
798 1 17 HIS H 1 17 HIS HB2 2.495 . 3.273 2.554 2.409 2.687 . 0 0 "[ . 1 . 2]" 1
799 1 72 THR H 1 72 THR MG 2.910 . 3.969 2.616 2.487 2.711 . 0 0 "[ . 1 . 2]" 1
800 1 65 GLN H 1 67 SER H 3.616 . 5.251 3.751 3.687 3.894 . 0 0 "[ . 1 . 2]" 1
801 1 65 GLN H 1 66 ARG H 2.558 . 3.376 2.663 2.483 2.736 . 0 0 "[ . 1 . 2]" 1
802 1 65 GLN H 1 65 GLN HB3 2.557 . 3.375 2.658 2.439 3.612 0.237 20 0 "[ . 1 . 2]" 1
803 1 64 PRO QG 1 65 GLN H 3.964 . 5.928 3.947 3.800 4.000 . 0 0 "[ . 1 . 2]" 1
804 1 97 ALA MB 1 98 TRP H 2.538 . 3.343 2.354 2.274 2.492 . 0 0 "[ . 1 . 2]" 1
805 1 63 ASP HA 1 65 GLN H 3.709 . 5.428 3.732 3.581 3.870 . 0 0 "[ . 1 . 2]" 1
806 1 64 PRO HD2 1 65 GLN H 2.988 . 4.104 2.939 2.867 2.991 . 0 0 "[ . 1 . 2]" 1
807 1 64 PRO HB3 1 65 GLN H 4.140 . 6.283 4.099 3.999 4.156 . 0 0 "[ . 1 . 2]" 1
808 1 99 ALA H 1 100 GLN H 2.271 . 2.916 2.547 2.346 2.656 . 0 0 "[ . 1 . 2]" 1
809 1 97 ALA HA 1 100 GLN H 3.580 . 5.182 3.803 3.309 4.001 . 0 0 "[ . 1 . 2]" 1
810 1 100 GLN H 1 100 GLN HB3 2.779 . 3.744 2.672 2.374 3.614 . 0 0 "[ . 1 . 2]" 1
811 1 100 GLN H 1 100 GLN HB2 2.443 . 3.189 2.548 2.328 2.699 . 0 0 "[ . 1 . 2]" 1
812 1 100 GLN H 1 103 GLU QB 4.882 . 7.861 6.745 4.362 8.258 0.397 8 0 "[ . 1 . 2]" 1
813 1 99 ALA MB 1 100 GLN H 2.821 . 3.816 2.672 2.538 2.854 . 0 0 "[ . 1 . 2]" 1
814 1 93 LYS HD2 1 95 GLU H 4.400 . 6.820 6.575 6.052 7.647 0.827 5 3 "[ + * 1- . 2]" 1
815 1 95 GLU H 1 96 GLU H 2.515 . 3.306 2.722 2.512 2.948 . 0 0 "[ . 1 . 2]" 1
816 1 95 GLU H 1 95 GLU HA 2.729 . 3.660 2.795 2.732 2.838 . 0 0 "[ . 1 . 2]" 1
817 1 92 GLN HA 1 95 GLU H 3.402 . 4.849 3.502 3.259 3.675 . 0 0 "[ . 1 . 2]" 1
818 1 94 ALA HA 1 95 GLU H 3.552 . 5.129 3.552 3.512 3.569 . 0 0 "[ . 1 . 2]" 1
819 1 95 GLU H 1 95 GLU QG 4.027 . 6.055 2.991 2.113 4.044 . 0 0 "[ . 1 . 2]" 1
820 1 95 GLU H 1 95 GLU HB3 3.328 . 4.713 3.173 2.454 3.603 . 0 0 "[ . 1 . 2]" 1
821 1 95 GLU H 1 95 GLU HB2 2.248 . 2.879 2.445 2.357 2.559 . 0 0 "[ . 1 . 2]" 1
822 1 95 GLU H 1 96 GLU QB 4.177 . 6.357 4.446 4.224 4.643 . 0 0 "[ . 1 . 2]" 1
823 1 94 ALA MB 1 95 GLU H 2.585 . 3.421 2.387 2.274 2.547 . 0 0 "[ . 1 . 2]" 1
824 1 25 MET H 1 26 THR H 3.505 . 5.040 4.077 2.798 4.576 . 0 0 "[ . 1 . 2]" 1
825 1 26 THR H 1 27 ASP H 3.314 . 4.687 4.019 3.241 4.593 . 0 0 "[ . 1 . 2]" 1
826 1 25 MET HA 1 26 THR H 2.109 . 2.665 2.299 2.118 3.555 0.890 14 1 "[ . 1 +. 2]" 1
827 1 26 THR H 1 26 THR HA 2.608 . 3.458 2.851 2.287 2.941 . 0 0 "[ . 1 . 2]" 1
828 1 26 THR H 1 26 THR HB 3.236 . 4.545 3.322 2.627 3.799 . 0 0 "[ . 1 . 2]" 1
829 1 25 MET ME 1 26 THR H 3.971 . 5.942 5.039 3.803 6.575 0.633 5 1 "[ + 1 . 2]" 1
830 1 26 THR H 1 26 THR MG 2.712 . 3.631 3.062 2.070 3.854 0.223 14 0 "[ . 1 . 2]" 1
831 1 65 GLN QE 1 66 ARG H 4.401 . 6.822 4.654 3.024 5.358 . 0 0 "[ . 1 . 2]" 1
832 1 65 GLN QE 1 98 TRP HZ2 2.590 . 3.429 3.333 2.495 5.836 2.407 20 3 "[ * 1 . - +]" 1
833 1 65 GLN QE 1 65 GLN HG3 5.067 . 5.762 2.486 2.175 3.275 . 0 0 "[ . 1 . 2]" 1
834 1 20 ASN HA 1 21 THR H 2.462 . 3.220 2.410 2.159 3.325 0.105 5 0 "[ . 1 . 2]" 1
835 1 20 ASN HB3 1 21 THR H 4.101 . 6.203 4.311 3.110 4.484 . 0 0 "[ . 1 . 2]" 1
836 1 20 ASN HB2 1 21 THR H 4.235 . 6.477 4.459 4.010 4.641 . 0 0 "[ . 1 . 2]" 1
837 1 21 THR H 1 21 THR MG 2.812 . 3.801 2.716 2.063 3.890 0.089 16 0 "[ . 1 . 2]" 1
838 1 87 ALA H 1 88 ASN H 2.427 . 3.163 2.796 2.700 2.924 . 0 0 "[ . 1 . 2]" 1
839 1 88 ASN H 1 89 GLN H 2.724 . 3.651 2.787 2.696 2.920 . 0 0 "[ . 1 . 2]" 1
840 1 88 ASN H 1 88 ASN HA 2.740 . 3.678 2.800 2.759 2.822 . 0 0 "[ . 1 . 2]" 1
841 1 85 ARG HA 1 88 ASN H 3.429 . 4.899 3.509 3.202 3.736 . 0 0 "[ . 1 . 2]" 1
842 1 87 ALA MB 1 88 ASN H 2.578 . 3.409 2.419 2.240 2.559 . 0 0 "[ . 1 . 2]" 1
843 1 66 ARG H 1 67 SER H 2.491 . 3.266 2.502 2.459 2.558 . 0 0 "[ . 1 . 2]" 1
844 1 62 LYS HA 1 67 SER H 4.214 . 6.434 6.258 5.988 6.706 0.272 14 0 "[ . 1 . 2]" 1
845 1 67 SER H 1 67 SER HA 2.819 . 3.812 2.764 2.748 2.775 . 0 0 "[ . 1 . 2]" 1
846 1 66 ARG HB3 1 67 SER H 2.656 . 3.538 2.813 2.602 3.670 0.132 15 0 "[ . 1 . 2]" 1
847 1 53 LEU QD 1 67 SER H 4.143 . 6.289 3.938 3.661 4.328 . 0 0 "[ . 1 . 2]" 1
848 1 81 ALA H 1 82 MET H 2.731 . 3.663 2.662 2.465 2.784 . 0 0 "[ . 1 . 2]" 1
849 1 81 ALA HA 1 82 MET H 3.233 . 4.540 3.080 2.978 3.173 . 0 0 "[ . 1 . 2]" 1
850 1 82 MET H 1 82 MET HA 2.266 . 2.908 2.265 2.250 2.274 . 0 0 "[ . 1 . 2]" 1
851 1 82 MET H 1 82 MET QG 3.440 . 4.919 3.189 2.779 4.544 . 0 0 "[ . 1 . 2]" 1
852 1 82 MET H 1 82 MET QB 3.870 . 5.742 3.275 2.966 3.414 . 0 0 "[ . 1 . 2]" 1
853 1 82 MET H 1 82 MET ME 4.309 . 6.630 4.668 3.849 5.672 . 0 0 "[ . 1 . 2]" 1
854 1 80 GLU HB3 1 82 MET H 4.258 . 6.525 4.812 4.616 5.189 . 0 0 "[ . 1 . 2]" 1
855 1 81 ALA MB 1 82 MET H 3.742 . 5.492 3.496 3.412 3.574 . 0 0 "[ . 1 . 2]" 1
856 1 20 ASN HB3 1 20 ASN HD21 2.722 . 3.648 2.981 2.244 3.526 . 0 0 "[ . 1 . 2]" 1
857 1 20 ASN HB2 1 20 ASN HD21 3.451 . 4.940 3.014 2.231 3.535 . 0 0 "[ . 1 . 2]" 1
858 1 56 GLY H 1 57 GLY H 3.916 . 5.833 4.101 3.136 4.607 . 0 0 "[ . 1 . 2]" 1
859 1 56 GLY H 1 56 GLY QA 2.631 . 3.496 2.264 2.216 2.360 . 0 0 "[ . 1 . 2]" 1
860 1 55 THR MG 1 56 GLY H 3.851 . 5.705 3.979 2.912 4.361 . 0 0 "[ . 1 . 2]" 1
861 1 73 GLN HE21 1 73 GLN QG 3.127 . 4.349 2.529 2.143 2.836 . 0 0 "[ . 1 . 2]" 1
862 1 70 LEU QD 1 73 GLN HE21 3.865 . 5.732 4.260 2.202 6.182 0.450 20 0 "[ . 1 . 2]" 1
863 1 56 GLY H 1 57 GLY HA3 4.047 . 6.094 5.143 4.836 5.416 . 0 0 "[ . 1 . 2]" 1
864 1 59 GLY H 1 59 GLY HA2 2.686 . 3.588 2.453 2.310 2.636 . 0 0 "[ . 1 . 2]" 1
865 1 89 GLN HE21 1 89 GLN QG 3.721 . 5.452 2.751 2.235 2.827 . 0 0 "[ . 1 . 2]" 1
866 1 30 GLU HA 1 31 GLY H 2.461 . 3.218 2.664 2.173 3.276 0.058 16 0 "[ . 1 . 2]" 1
867 1 31 GLY H 1 31 GLY HA3 2.216 . 2.830 2.681 2.305 2.960 0.130 9 0 "[ . 1 . 2]" 1
868 1 30 GLU HB3 1 31 GLY H 4.489 . 7.007 4.320 3.451 4.528 . 0 0 "[ . 1 . 2]" 1
869 1 30 GLU HB2 1 31 GLY H 4.302 . 6.615 4.274 2.584 4.622 . 0 0 "[ . 1 . 2]" 1
870 1 42 ARG H 1 43 TYR H 3.020 . 4.160 2.425 2.349 2.570 . 0 0 "[ . 1 . 2]" 1
871 1 43 TYR H 1 44 MET H 2.726 . 3.655 2.654 2.587 2.733 . 0 0 "[ . 1 . 2]" 1
872 1 41 PRO HA 1 43 TYR H 3.995 . 5.990 3.581 3.362 3.764 . 0 0 "[ . 1 . 2]" 1
873 1 43 TYR H 1 43 TYR HA 2.865 . 3.891 2.811 2.788 2.831 . 0 0 "[ . 1 . 2]" 1
874 1 42 ARG HA 1 43 TYR H 3.497 . 5.026 3.471 3.418 3.507 . 0 0 "[ . 1 . 2]" 1
875 1 43 TYR H 1 43 TYR HB2 4.042 . 6.084 3.585 3.555 3.635 . 0 0 "[ . 1 . 2]" 1
876 1 43 TYR H 1 43 TYR HB3 2.894 . 3.941 2.746 2.597 2.913 . 0 0 "[ . 1 . 2]" 1
877 1 42 ARG HB3 1 43 TYR H 4.004 . 6.008 3.686 2.628 4.237 . 0 0 "[ . 1 . 2]" 1
878 1 43 TYR H 1 44 MET HB2 3.835 . 5.673 4.767 4.679 4.931 . 0 0 "[ . 1 . 2]" 1
879 1 43 TYR H 1 77 ALA MB 3.355 . 4.762 3.067 2.723 3.329 . 0 0 "[ . 1 . 2]" 1
880 1 41 PRO QB 1 43 TYR H 3.207 . 4.493 3.391 3.088 3.831 . 0 0 "[ . 1 . 2]" 1
881 1 35 ASP HA 1 36 GLY H 2.507 . 3.292 2.568 2.121 3.562 0.270 7 0 "[ . 1 . 2]" 1
882 1 36 GLY H 1 36 GLY HA3 2.747 . 3.690 2.645 2.300 2.954 . 0 0 "[ . 1 . 2]" 1
883 1 36 GLY H 1 36 GLY HA2 2.712 . 3.631 2.658 2.288 2.954 . 0 0 "[ . 1 . 2]" 1
884 1 35 ASP QB 1 36 GLY H 4.211 . 6.427 3.435 1.923 4.041 0.072 13 0 "[ . 1 . 2]" 1
885 1 32 GLY H 1 33 GLU H 3.625 . 5.267 3.396 2.636 4.543 . 0 0 "[ . 1 . 2]" 1
886 1 32 GLY H 1 32 GLY HA2 2.417 . 3.147 2.713 2.293 2.957 . 0 0 "[ . 1 . 2]" 1
887 1 31 GLY H 1 32 GLY H 3.162 . 4.411 2.793 2.038 4.054 . 0 0 "[ . 1 . 2]" 1
888 1 83 LYS HA 1 84 GLY H 3.077 . 4.261 2.377 2.256 2.600 . 0 0 "[ . 1 . 2]" 1
889 1 79 MET HA 1 84 GLY H 3.950 . 5.901 4.416 3.292 4.988 . 0 0 "[ . 1 . 2]" 1
890 1 56 GLY QA 1 57 GLY H 2.530 . 3.330 2.204 2.110 2.299 . 0 0 "[ . 1 . 2]" 1
891 1 57 GLY H 1 58 TYR H 3.653 . 5.321 4.096 2.289 4.534 . 0 0 "[ . 1 . 2]" 1
892 1 57 GLY H 1 60 LEU H 3.457 . 4.951 3.402 3.037 3.921 . 0 0 "[ . 1 . 2]" 1
893 1 57 GLY H 1 57 GLY HA3 2.284 . 2.936 2.691 2.315 2.956 0.020 20 0 "[ . 1 . 2]" 1
894 1 55 THR H 1 56 GLY H 2.240 . 2.867 2.347 2.242 2.573 . 0 0 "[ . 1 . 2]" 1
895 1 55 THR H 1 55 THR HB 3.146 . 4.383 3.513 2.811 3.665 . 0 0 "[ . 1 . 2]" 1
896 1 54 PHE HB3 1 55 THR H 4.208 . 6.421 2.330 2.180 2.579 . 0 0 "[ . 1 . 2]" 1
897 1 54 PHE HB2 1 55 THR H 2.707 . 3.623 3.715 3.592 3.809 0.186 17 0 "[ . 1 . 2]" 1
898 1 55 THR H 1 55 THR MG 2.408 . 3.133 2.491 2.005 2.986 . 0 0 "[ . 1 . 2]" 1
899 1 68 GLY H 1 98 TRP HE1 3.268 . 4.603 3.032 2.760 3.337 . 0 0 "[ . 1 . 2]" 1
900 1 67 SER QB 1 68 GLY H 3.963 . 5.926 2.402 2.323 2.511 . 0 0 "[ . 1 . 2]" 1
901 1 68 GLY H 1 68 GLY HA2 2.443 . 3.189 2.830 2.817 2.848 . 0 0 "[ . 1 . 2]" 1
902 1 68 GLY H 1 97 ALA MB 2.857 . 3.877 3.193 2.632 3.504 . 0 0 "[ . 1 . 2]" 1
903 1 64 PRO HD3 1 65 GLN H 4.294 . 6.599 4.107 4.035 4.152 . 0 0 "[ . 1 . 2]" 1
904 1 68 GLY HA2 1 98 TRP H 4.033 . 6.066 5.107 4.738 5.466 . 0 0 "[ . 1 . 2]" 1
905 1 94 ALA HA 1 98 TRP H 3.948 . 5.897 4.142 3.984 4.357 . 0 0 "[ . 1 . 2]" 1
906 1 98 TRP HA 1 100 GLN H 3.952 . 5.904 4.253 3.807 4.553 . 0 0 "[ . 1 . 2]" 1
907 1 89 GLN H 1 89 GLN HB3 2.373 . 3.077 3.103 2.431 3.610 0.533 10 9 "[** . +*** * *-2]" 1
908 1 60 LEU H 1 61 GLU H 4.273 . 6.556 4.362 4.286 4.494 . 0 0 "[ . 1 . 2]" 1
909 1 57 GLY HA3 1 59 GLY H 3.832 . 5.668 4.720 4.336 5.267 . 0 0 "[ . 1 . 2]" 1
910 1 58 TYR HA 1 59 GLY H 2.693 . 3.600 2.424 2.218 2.968 . 0 0 "[ . 1 . 2]" 1
911 1 58 TYR HB2 1 59 GLY H 5.027 . 8.185 4.408 3.999 4.527 . 0 0 "[ . 1 . 2]" 1
912 1 58 TYR HB3 1 59 GLY H 5.263 . 8.726 4.236 3.989 4.471 . 0 0 "[ . 1 . 2]" 1
913 1 98 TRP H 1 98 TRP HA 2.966 . 4.066 2.863 2.846 2.877 . 0 0 "[ . 1 . 2]" 1
914 1 98 TRP H 1 98 TRP HB3 2.841 . 3.850 3.625 3.606 3.637 . 0 0 "[ . 1 . 2]" 1
915 1 27 ASP HA 1 28 CYS H 2.738 . 3.675 2.577 2.174 3.559 . 0 0 "[ . 1 . 2]" 1
916 1 4 MET QB 1 5 SER H 4.375 . 6.768 3.626 2.776 4.037 . 0 0 "[ . 1 . 2]" 1
917 1 8 ARG H 1 8 ARG HA 2.858 . 3.879 2.857 2.270 2.950 . 0 0 "[ . 1 . 2]" 1
918 1 39 ASP HB3 1 40 GLU H 3.677 . 5.367 3.196 1.870 4.370 0.117 6 0 "[ . 1 . 2]" 1
919 1 40 GLU H 1 41 PRO QD 3.780 . 5.566 3.875 3.294 4.449 . 0 0 "[ . 1 . 2]" 1
920 1 10 GLN H 1 10 GLN HA 2.579 . 3.410 2.917 2.767 2.951 . 0 0 "[ . 1 . 2]" 1
921 1 30 GLU H 1 30 GLU HB3 3.661 . 5.336 3.294 2.361 3.825 . 0 0 "[ . 1 . 2]" 1
922 1 9 CYS H 1 10 GLN H 3.715 . 5.440 3.267 2.611 4.246 . 0 0 "[ . 1 . 2]" 1
923 1 62 LYS H 1 62 LYS HG3 4.302 . 6.615 3.484 3.015 4.566 . 0 0 "[ . 1 . 2]" 1
924 1 61 GLU HB3 1 62 LYS H 3.870 . 5.742 3.762 2.670 4.365 . 0 0 "[ . 1 . 2]" 1
925 1 29 ASP QB 1 30 GLU H 4.385 . 6.789 3.663 2.752 4.062 . 0 0 "[ . 1 . 2]" 1
926 1 11 ASP H 1 12 TRP H 2.643 . 3.516 2.573 2.153 2.948 . 0 0 "[ . 1 . 2]" 1
927 1 92 GLN H 1 93 LYS H 2.429 . 3.166 2.562 2.502 2.660 . 0 0 "[ . 1 . 2]" 1
928 1 48 ARG HA 1 52 MET H 4.298 . 6.607 4.131 4.028 4.223 . 0 0 "[ . 1 . 2]" 1
929 1 49 GLU HG2 1 52 MET H 3.183 . 6.000 5.854 5.002 6.758 0.758 17 8 "[ *- **1 * . +**2]" 1
930 1 93 LYS HB2 1 96 GLU H 4.755 . 7.581 5.506 5.395 5.684 . 0 0 "[ . 1 . 2]" 1
931 1 46 LEU HB2 1 74 ALA H 4.346 . 6.707 4.330 3.772 4.661 . 0 0 "[ . 1 . 2]" 1
932 1 73 GLN QG 1 74 ALA H 5.154 . 8.474 4.104 3.625 4.537 . 0 0 "[ . 1 . 2]" 1
933 1 98 TRP H 1 99 ALA MB 4.702 . 7.465 4.282 4.194 4.364 . 0 0 "[ . 1 . 2]" 1
934 1 85 ARG HA 1 86 LEU H 3.757 . 5.521 3.540 3.513 3.560 . 0 0 "[ . 1 . 2]" 1
935 1 86 LEU H 1 86 LEU HB3 3.304 . 4.669 3.554 3.520 3.588 . 0 0 "[ . 1 . 2]" 1
936 1 79 MET H 1 81 ALA H 4.482 . 6.993 3.987 3.890 4.115 . 0 0 "[ . 1 . 2]" 1
937 1 75 ALA HA 1 76 GLU H 3.767 . 5.541 3.522 3.505 3.533 . 0 0 "[ . 1 . 2]" 1
938 1 70 LEU H 1 70 LEU HA 2.810 . 3.797 2.846 2.828 2.868 . 0 0 "[ . 1 . 2]" 1
939 1 67 SER HA 1 70 LEU H 3.433 . 4.906 3.696 3.612 3.885 . 0 0 "[ . 1 . 2]" 1
940 1 69 ASP H 1 70 LEU H 2.591 . 3.430 2.671 2.593 2.778 . 0 0 "[ . 1 . 2]" 1
941 1 70 LEU H 1 71 TYR H 2.599 . 3.444 2.567 2.499 2.623 . 0 0 "[ . 1 . 2]" 1
942 1 96 GLU HA 1 99 ALA H 3.109 . 4.317 3.423 3.207 3.640 . 0 0 "[ . 1 . 2]" 1
943 1 98 TRP HA 1 99 ALA H 3.561 . 5.146 3.504 3.452 3.532 . 0 0 "[ . 1 . 2]" 1
944 1 53 LEU H 1 53 LEU HA 2.865 . 3.891 2.889 2.850 2.904 . 0 0 "[ . 1 . 2]" 1
945 1 52 MET HB3 1 53 LEU H 3.228 . 4.531 3.891 3.737 4.029 . 0 0 "[ . 1 . 2]" 1
946 1 90 TYR H 1 91 TYR HA 4.567 . 7.174 5.381 5.331 5.438 . 0 0 "[ . 1 . 2]" 1
947 1 89 GLN HB2 1 90 TYR H 3.405 . 4.854 2.975 2.274 3.773 . 0 0 "[ . 1 . 2]" 1
948 1 89 GLN HB3 1 90 TYR H 2.542 . 3.350 2.834 2.234 3.391 0.041 18 0 "[ . 1 . 2]" 1
949 1 90 TYR H 1 92 GLN H 4.040 . 6.080 4.208 4.087 4.381 . 0 0 "[ . 1 . 2]" 1
950 1 96 GLU HA 1 97 ALA H 3.517 . 5.063 3.545 3.531 3.559 . 0 0 "[ . 1 . 2]" 1
951 1 94 ALA HA 1 97 ALA H 3.132 . 4.358 3.376 3.236 3.482 . 0 0 "[ . 1 . 2]" 1
952 1 72 THR H 1 73 GLN H 2.556 . 3.373 2.521 2.465 2.614 . 0 0 "[ . 1 . 2]" 1
953 1 71 TYR HB3 1 72 THR H 3.748 . 5.504 3.443 3.330 3.536 . 0 0 "[ . 1 . 2]" 1
954 1 71 TYR HB2 1 72 THR H 3.218 . 4.512 2.988 2.714 3.125 . 0 0 "[ . 1 . 2]" 1
955 1 72 THR H 1 94 ALA MB 3.242 . 4.556 3.209 3.002 3.435 . 0 0 "[ . 1 . 2]" 1
956 1 88 ASN H 1 89 GLN HB3 4.473 . 6.974 5.636 4.791 6.404 . 0 0 "[ . 1 . 2]" 1
957 1 88 ASN H 1 88 ASN HD22 5.705 . 9.773 5.552 3.869 5.872 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU HB3 1 67 SER H 3.229 . 4.532 3.365 3.027 4.175 . 0 0 "[ . 1 . 2]" 1
959 1 63 ASP HB2 1 67 SER H 4.890 . 7.879 5.249 4.045 5.523 . 0 0 "[ . 1 . 2]" 1
960 1 43 TYR HA 1 45 MET H 4.119 . 6.240 4.290 4.136 4.466 . 0 0 "[ . 1 . 2]" 1
961 1 45 MET H 1 46 LEU QD 4.825 . 7.735 3.907 3.729 4.729 . 0 0 "[ . 1 . 2]" 1
962 1 66 ARG H 1 66 ARG HG3 3.252 . 4.574 4.197 2.369 4.536 . 0 0 "[ . 1 . 2]" 1
963 1 87 ALA HA 1 91 TYR H 3.893 . 5.788 3.967 3.721 4.169 . 0 0 "[ . 1 . 2]" 1
964 1 43 TYR H 1 78 ALA HA 4.479 . 6.987 4.840 4.430 5.141 . 0 0 "[ . 1 . 2]" 1
965 1 25 MET H 1 25 MET QG 4.229 . 6.465 3.170 2.088 4.209 . 0 0 "[ . 1 . 2]" 1
966 1 88 ASN H 1 88 ASN HB3 2.655 . 3.536 2.693 2.307 3.591 0.055 16 0 "[ . 1 . 2]" 1
967 1 38 GLN HA 1 38 GLN HE21 5.033 . 8.200 4.717 4.138 5.840 . 0 0 "[ . 1 . 2]" 1
968 1 92 GLN HE21 1 92 GLN QG 4.907 . 6.354 2.491 2.160 2.804 . 0 0 "[ . 1 . 2]" 1
969 1 65 GLN H 1 66 ARG HB3 4.540 . 7.117 5.127 4.844 6.157 . 0 0 "[ . 1 . 2]" 1
970 1 65 GLN H 1 65 GLN HG3 4.235 . 6.476 4.399 3.623 4.624 . 0 0 "[ . 1 . 2]" 1
971 1 89 GLN HA 1 90 TYR H 3.665 . 5.344 3.568 3.560 3.578 . 0 0 "[ . 1 . 2]" 1
972 1 38 GLN HE21 1 38 GLN HG3 3.341 . 4.736 3.005 2.223 3.514 . 0 0 "[ . 1 . 2]" 1
973 1 65 GLN H 1 65 GLN QE 6.300 . 11.261 5.006 3.009 5.751 . 0 0 "[ . 1 . 2]" 1
974 1 64 PRO HB3 1 100 GLN H 4.541 . 7.119 5.493 4.274 6.362 . 0 0 "[ . 1 . 2]" 1
975 1 102 GLU QB 1 103 GLU H 4.199 . 6.403 3.744 1.799 4.035 0.196 17 0 "[ . 1 . 2]" 1
976 1 102 GLU H 1 102 GLU HA 2.565 . 3.387 2.887 2.806 2.944 . 0 0 "[ . 1 . 2]" 1
977 1 52 MET HG3 1 53 LEU H 4.690 . 7.439 4.538 4.429 4.703 . 0 0 "[ . 1 . 2]" 1
978 1 42 ARG H 1 44 MET H 4.672 . 7.400 4.206 3.925 4.370 . 0 0 "[ . 1 . 2]" 1
979 1 39 ASP H 1 40 GLU H 2.404 . 3.126 3.277 1.894 4.459 1.333 7 8 "[** * + -* * * 2]" 1
980 1 83 LYS H 1 84 GLY H 2.958 . 4.051 3.608 3.218 3.858 . 0 0 "[ . 1 . 2]" 1
981 1 33 GLU H 1 34 TYR H 3.130 . 4.354 3.736 2.807 4.492 0.138 20 0 "[ . 1 . 2]" 1
982 1 4 MET QB 1 33 GLU H 2.854 . 3.872 3.541 1.787 4.873 1.001 12 4 "[* . * 1 + - 2]" 1
983 1 19 TYR H 1 20 ASN H 3.710 . 5.431 3.944 2.968 4.643 . 0 0 "[ . 1 . 2]" 1
984 1 18 TRP H 1 19 TYR H 2.693 . 3.600 2.394 2.200 2.599 . 0 0 "[ . 1 . 2]" 1
985 1 20 ASN H 1 21 THR H 3.400 . 4.845 3.460 2.215 4.500 . 0 0 "[ . 1 . 2]" 1
986 1 14 GLU H 1 15 ALA H 2.643 . 3.516 2.559 2.422 2.721 . 0 0 "[ . 1 . 2]" 1
987 1 58 TYR H 1 60 LEU H 4.513 . 7.059 3.894 3.026 4.418 . 0 0 "[ . 1 . 2]" 1
988 1 57 GLY HA3 1 60 LEU H 3.686 . 5.384 3.902 2.922 5.500 0.116 9 0 "[ . 1 . 2]" 1
989 1 59 GLY HA2 1 61 GLU H 4.480 . 6.989 5.714 5.516 6.092 . 0 0 "[ . 1 . 2]" 1
990 1 67 SER HA 1 68 GLY H 3.935 . 5.871 3.627 3.607 3.644 . 0 0 "[ . 1 . 2]" 1
991 1 68 GLY H 1 94 ALA MB 4.924 . 7.955 4.972 4.838 5.331 . 0 0 "[ . 1 . 2]" 1
992 1 75 ALA H 1 76 GLU H 2.822 . 3.817 2.561 2.497 2.642 . 0 0 "[ . 1 . 2]" 1
993 1 74 ALA H 1 76 GLU H 4.235 . 6.477 4.093 3.998 4.172 . 0 0 "[ . 1 . 2]" 1
994 1 76 GLU H 1 78 ALA H 4.104 . 6.209 3.838 3.766 3.909 . 0 0 "[ . 1 . 2]" 1
995 1 84 GLY H 1 85 ARG H 3.825 . 5.654 2.887 2.728 3.069 . 0 0 "[ . 1 . 2]" 1
996 1 85 ARG H 1 86 LEU H 3.184 . 4.451 2.738 2.632 2.861 . 0 0 "[ . 1 . 2]" 1
997 1 89 GLN H 1 89 GLN HE22 6.359 . 11.414 5.520 5.087 6.255 . 0 0 "[ . 1 . 2]" 1
998 1 89 GLN H 1 91 TYR H 4.092 . 6.185 4.128 3.967 4.229 . 0 0 "[ . 1 . 2]" 1
999 1 91 TYR HD2 1 92 GLN H 5.392 . 9.027 5.398 4.810 5.743 . 0 0 "[ . 1 . 2]" 1
1000 1 93 LYS H 1 94 ALA H 2.525 . 3.322 2.209 2.119 2.274 . 0 0 "[ . 1 . 2]" 1
1001 1 91 TYR HD2 1 94 ALA H 5.032 . 8.197 5.712 5.001 7.030 . 0 0 "[ . 1 . 2]" 1
1002 1 95 GLU H 1 97 ALA H 3.987 . 5.974 4.099 3.792 4.229 . 0 0 "[ . 1 . 2]" 1
1003 1 97 ALA H 1 100 GLN HE22 4.590 . 7.223 6.605 5.403 7.780 0.557 6 1 "[ .+ 1 . 2]" 1
1004 1 47 ALA H 1 50 ALA MB 4.454 . 6.933 4.459 4.363 4.561 . 0 0 "[ . 1 . 2]" 1
1005 1 45 MET HA 1 48 ARG H 3.472 . 4.979 3.377 3.263 3.539 . 0 0 "[ . 1 . 2]" 1
1006 1 49 GLU H 1 49 GLU HG2 3.903 . 5.807 4.499 4.391 4.589 . 0 0 "[ . 1 . 2]" 1
1007 1 50 ALA HA 1 52 MET H 4.281 . 6.571 4.417 4.315 4.547 . 0 0 "[ . 1 . 2]" 1
1008 1 55 THR HB 1 56 GLY H 4.196 . 6.397 4.076 3.720 4.444 . 0 0 "[ . 1 . 2]" 1
1009 1 67 SER HA 1 69 ASP H 4.435 . 6.893 4.413 4.306 4.474 . 0 0 "[ . 1 . 2]" 1
1010 1 65 GLN HB3 1 69 ASP H 4.708 . 7.479 5.742 5.289 5.944 . 0 0 "[ . 1 . 2]" 1
1011 1 70 LEU H 1 73 GLN HB2 4.655 . 7.363 5.065 4.809 5.355 . 0 0 "[ . 1 . 2]" 1
1012 1 72 THR H 1 73 GLN HB2 4.729 . 7.524 4.619 4.410 4.848 . 0 0 "[ . 1 . 2]" 1
1013 1 80 GLU HG2 1 81 ALA H 4.536 . 7.107 4.310 3.548 5.111 . 0 0 "[ . 1 . 2]" 1
1014 1 84 GLY QA 1 85 ARG H 4.726 . 7.518 2.692 2.554 2.838 . 0 0 "[ . 1 . 2]" 1
1015 1 18 TRP HA 1 20 ASN H 3.890 . 5.781 5.102 3.169 6.965 1.184 8 3 "[* .- + 1 . 2]" 1
1016 1 86 LEU HB3 1 89 GLN H 4.655 . 7.363 5.460 5.309 5.585 . 0 0 "[ . 1 . 2]" 1
1017 1 87 ALA MB 1 89 GLN H 4.795 . 7.669 4.608 4.435 4.710 . 0 0 "[ . 1 . 2]" 1
1018 1 87 ALA MB 1 91 TYR H 4.414 . 6.849 4.559 4.418 4.670 . 0 0 "[ . 1 . 2]" 1
1019 1 91 TYR H 1 92 GLN QB 5.034 . 8.202 4.233 4.130 4.343 . 0 0 "[ . 1 . 2]" 1
1020 1 90 TYR HA 1 92 GLN H 4.220 . 6.446 4.369 4.250 4.538 . 0 0 "[ . 1 . 2]" 1
1021 1 89 GLN HB2 1 92 GLN H 4.471 . 6.970 5.547 5.352 5.856 . 0 0 "[ . 1 . 2]" 1
1022 1 92 GLN H 1 93 LYS HB2 5.109 . 8.372 4.801 4.442 5.120 . 0 0 "[ . 1 . 2]" 1
1023 1 90 TYR HA 1 94 ALA H 4.560 . 7.159 3.908 3.710 4.109 . 0 0 "[ . 1 . 2]" 1
1024 1 92 GLN HA 1 94 ALA H 4.474 . 6.977 4.411 4.265 4.548 . 0 0 "[ . 1 . 2]" 1
1025 1 93 LYS HA 1 94 ALA H 3.576 . 5.174 3.506 3.464 3.534 . 0 0 "[ . 1 . 2]" 1
1026 1 91 TYR HA 1 95 GLU H 4.315 . 6.642 3.979 3.851 4.175 . 0 0 "[ . 1 . 2]" 1
1027 1 98 TRP H 1 98 TRP HE3 5.003 . 8.132 4.281 4.005 4.457 . 0 0 "[ . 1 . 2]" 1
1028 1 96 GLU HA 1 98 TRP H 4.285 . 6.581 4.629 4.503 4.785 . 0 0 "[ . 1 . 2]" 1
1029 1 98 TRP HB2 1 99 ALA H 4.430 . 6.883 2.955 2.760 3.082 . 0 0 "[ . 1 . 2]" 1
1030 1 62 LYS HG3 1 63 ASP H 4.211 . 6.427 4.267 3.748 4.817 . 0 0 "[ . 1 . 2]" 1
1031 1 63 ASP H 1 64 PRO HD3 3.758 . 5.523 3.729 3.455 4.086 . 0 0 "[ . 1 . 2]" 1
1032 1 19 TYR HB3 1 20 ASN H 3.816 . 5.636 4.082 1.771 4.463 0.225 6 0 "[ . 1 . 2]" 1
1033 1 21 THR MG 1 22 ALA H 4.225 . 6.456 4.000 3.456 4.372 . 0 0 "[ . 1 . 2]" 1
1034 1 25 MET QG 1 26 THR H 5.048 . 8.233 3.870 2.973 4.481 . 0 0 "[ . 1 . 2]" 1
1035 1 28 CYS H 1 28 CYS HA 2.768 . 3.726 2.848 2.264 2.944 . 0 0 "[ . 1 . 2]" 1
1036 1 26 THR HB 1 28 CYS H 3.600 . 5.220 3.941 2.958 4.883 . 0 0 "[ . 1 . 2]" 1
1037 1 27 ASP QB 1 28 CYS H 4.522 . 7.079 3.807 1.954 4.042 0.011 9 0 "[ . 1 . 2]" 1
1038 1 29 ASP HA 1 31 GLY H 4.588 . 7.219 4.302 3.359 6.419 . 0 0 "[ . 1 . 2]" 1
1039 1 29 ASP HA 1 32 GLY H 4.665 . 7.385 5.507 3.700 8.638 1.253 11 1 "[ . 1+ . 2]" 1
1040 1 29 ASP QB 1 32 GLY H 4.503 . 7.038 4.809 2.971 7.546 0.508 11 1 "[ . 1+ . 2]" 1
1041 1 4 MET QB 1 34 TYR H 2.873 . 3.905 3.125 1.625 4.889 0.984 15 1 "[ . 1 + 2]" 1
1042 1 33 GLU QG 1 34 TYR H 4.331 . 6.676 4.128 2.669 4.886 . 0 0 "[ . 1 . 2]" 1
1043 1 35 ASP H 1 35 ASP HA 2.576 . 3.405 2.892 2.779 2.939 . 0 0 "[ . 1 . 2]" 1
1044 1 35 ASP QB 1 37 MET H 4.384 . 6.786 4.263 3.151 6.624 . 0 0 "[ . 1 . 2]" 1
1045 1 101 MET H 1 103 GLU QB 4.567 . 7.174 5.577 4.456 7.245 0.071 17 0 "[ . 1 . 2]" 1
1046 1 79 MET H 1 79 MET ME 4.542 . 7.120 4.386 3.420 4.508 . 0 0 "[ . 1 . 2]" 1
1047 1 43 TYR H 1 43 TYR QE 4.344 . 6.703 3.804 3.633 4.220 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLN QE 1 98 TRP HE1 3.838 . 5.680 3.015 2.285 4.704 . 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 372
_Distance_constraint_stats_list.Viol_count 207
_Distance_constraint_stats_list.Viol_total 1357.938
_Distance_constraint_stats_list.Viol_max 3.093
_Distance_constraint_stats_list.Viol_rms 0.1007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.3280
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 1.713 1.711 11 1 "[ . 1+ . 2]"
1 7 ASP 0.016 0.016 13 0 "[ . 1 . 2]"
1 8 ARG 3.751 0.920 14 3 "[* . 1- +. 2]"
1 9 CYS 5.513 2.290 13 4 "[ . -* + . *]"
1 10 GLN 3.771 0.920 14 3 "[* . 1- +. 2]"
1 11 ASP 1.713 1.711 11 1 "[ . 1+ . 2]"
1 12 TRP 4.547 0.653 14 1 "[ . 1 +. 2]"
1 13 LEU 0.449 0.216 16 0 "[ . 1 . 2]"
1 14 GLU 3.149 0.326 16 0 "[ . 1 . 2]"
1 15 ALA 13.583 1.516 11 10 "[ ***. * *+ * .* - *]"
1 16 LEU 18.895 1.516 11 13 "[ ***.**- *+ **.* * *]"
1 17 HIS 2.475 0.326 16 0 "[ . 1 . 2]"
1 18 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 2.560 1.266 8 2 "[ -. + 1 . 2]"
1 20 ASN 0.033 0.033 13 0 "[ . 1 . 2]"
1 21 THR 1.855 1.266 8 1 "[ . + 1 . 2]"
1 22 ALA 2.792 0.291 5 0 "[ . 1 . 2]"
1 23 LEU 1.425 0.268 20 0 "[ . 1 . 2]"
1 24 GLU 0.374 0.240 8 0 "[ . 1 . 2]"
1 25 MET 1.187 0.947 4 1 "[ +. 1 . 2]"
1 26 THR 1.822 1.266 8 1 "[ . + 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.037 0.037 19 0 "[ . 1 . 2]"
1 31 GLY 0.054 0.033 5 0 "[ . 1 . 2]"
1 32 GLY 0.054 0.033 5 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 1.713 1.711 11 1 "[ . 1+ . 2]"
1 37 MET 17.885 3.093 10 9 "[* **.* + * .* *-2]"
1 38 GLN 0.153 0.086 5 0 "[ . 1 . 2]"
1 39 ASP 0.153 0.086 5 0 "[ . 1 . 2]"
1 40 GLU 0.034 0.034 9 0 "[ . 1 . 2]"
1 41 PRO 0.107 0.074 5 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.471 0.167 13 0 "[ . 1 . 2]"
1 44 MET 0.019 0.019 14 0 "[ . 1 . 2]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 2.003 0.291 5 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.368 0.368 1 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 1.472 0.740 14 1 "[ . 1 +. 2]"
1 52 MET 1.465 0.570 16 1 "[ . 1 .+ 2]"
1 53 LEU 0.274 0.114 18 0 "[ . 1 . 2]"
1 54 PHE 0.226 0.114 18 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.874 0.570 16 1 "[ . 1 .+ 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.733 0.570 16 1 "[ . 1 .+ 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 5.009 1.681 11 3 "[ . * 1+ . -2]"
1 62 LYS 5.294 1.681 11 3 "[ . * 1+ . -2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.047 0.047 4 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 1.941 0.291 5 0 "[ . 1 . 2]"
1 71 TYR 0.047 0.047 4 0 "[ . 1 . 2]"
1 72 THR 1.941 0.291 5 0 "[ . 1 . 2]"
1 73 GLN 0.672 0.255 2 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 1.767 0.255 2 0 "[ . 1 . 2]"
1 77 ALA 0.149 0.130 20 0 "[ . 1 . 2]"
1 78 ALA 1.735 0.291 5 0 "[ . 1 . 2]"
1 79 MET 6.179 2.290 13 4 "[ . -* + . *]"
1 80 GLU 5.310 2.290 13 4 "[ . -* + . *]"
1 81 ALA 0.072 0.053 7 0 "[ . 1 . 2]"
1 82 MET 22.933 3.093 10 11 "[* **.* +* * .* *-*]"
1 83 LYS 0.056 0.056 13 0 "[ . 1 . 2]"
1 84 GLY 0.022 0.019 3 0 "[ . 1 . 2]"
1 85 ARG 0.368 0.368 1 0 "[ . 1 . 2]"
1 86 LEU 0.056 0.056 13 0 "[ . 1 . 2]"
1 87 ALA 5.325 1.145 6 4 "[ * .+ - * . 2]"
1 88 ASN 0.019 0.019 3 0 "[ . 1 . 2]"
1 89 GLN 1.114 0.215 18 0 "[ . 1 . 2]"
1 90 TYR 0.149 0.130 20 0 "[ . 1 . 2]"
1 91 TYR 0.342 0.167 13 0 "[ . 1 . 2]"
1 92 GLN 1.206 0.947 4 1 "[ +. 1 . 2]"
1 93 LYS 0.781 0.740 14 1 "[ . 1 +. 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.947 0.947 4 1 "[ +. 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.905 0.740 14 1 "[ . 1 +. 2]"
1 98 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLN 3.308 0.920 14 2 "[- . 1 +. 2]"
1 101 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 7.578 1.681 11 5 "[* . * 1+ *. -2]"
1 103 GLU 5.748 1.681 11 3 "[ . * 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 42 ARG HA 1 45 MET ME 2.914 . 3.975 2.976 2.656 3.310 . 0 0 "[ . 1 . 2]" 2
2 1 6 PRO HB3 1 6 PRO QG 2.032 . 2.548 2.117 1.867 2.231 . 0 0 "[ . 1 . 2]" 2
3 1 43 TYR HA 1 71 TYR HA 3.625 . 5.268 4.778 4.275 5.315 0.047 4 0 "[ . 1 . 2]" 2
4 1 53 LEU HB2 1 67 SER QB 5.070 . 8.283 3.762 3.282 4.239 . 0 0 "[ . 1 . 2]" 2
5 1 67 SER QB 1 97 ALA MB 3.887 . 5.775 2.545 2.112 2.846 . 0 0 "[ . 1 . 2]" 2
6 1 53 LEU HB2 1 67 SER HA 3.390 . 4.827 2.703 2.500 2.945 . 0 0 "[ . 1 . 2]" 2
7 1 9 CYS HA 1 12 TRP QB 4.432 . 6.888 5.332 4.584 7.074 0.186 13 0 "[ . 1 . 2]" 2
8 1 48 ARG HA 1 48 ARG HB3 2.330 . 3.009 2.693 2.687 2.698 . 0 0 "[ . 1 . 2]" 2
9 1 48 ARG HA 1 48 ARG QG 2.679 . 3.576 2.222 2.107 2.533 . 0 0 "[ . 1 . 2]" 2
10 1 92 GLN HA 1 93 LYS HA 4.137 . 6.276 4.283 4.170 4.426 . 0 0 "[ . 1 . 2]" 2
11 1 89 GLN HA 1 89 GLN HB3 2.493 . 3.270 2.291 2.110 2.579 . 0 0 "[ . 1 . 2]" 2
12 1 43 TYR HA 1 46 LEU HB2 2.639 . 3.510 2.214 2.081 2.368 . 0 0 "[ . 1 . 2]" 2
13 1 13 LEU QD 1 80 GLU HA 4.027 . 6.054 4.879 3.601 5.412 . 0 0 "[ . 1 . 2]" 2
14 1 12 TRP HA 1 12 TRP QB 2.440 . 3.184 2.175 2.159 2.187 . 0 0 "[ . 1 . 2]" 2
15 1 28 CYS HA 1 28 CYS QB 2.508 . 3.294 2.312 2.180 2.397 . 0 0 "[ . 1 . 2]" 2
16 1 66 ARG HA 1 66 ARG QB 2.601 . 3.447 2.421 2.355 2.526 . 0 0 "[ . 1 . 2]" 2
17 1 64 PRO HA 1 98 TRP HA 4.242 . 6.491 4.514 4.057 4.825 . 0 0 "[ . 1 . 2]" 2
18 1 22 ALA HA 1 93 LYS HA 4.199 . 6.403 5.435 4.655 6.354 . 0 0 "[ . 1 . 2]" 2
19 1 64 PRO HB2 1 98 TRP HA 3.739 . 5.487 3.497 2.725 3.953 . 0 0 "[ . 1 . 2]" 2
20 1 47 ALA MB 1 90 TYR HA 4.178 . 6.360 3.918 3.601 4.158 . 0 0 "[ . 1 . 2]" 2
21 1 93 LYS HA 1 93 LYS HD3 3.214 . 4.505 2.499 1.956 2.754 . 0 0 "[ . 1 . 2]" 2
22 1 62 LYS HA 1 62 LYS QB 2.476 . 3.242 2.183 2.165 2.385 . 0 0 "[ . 1 . 2]" 2
23 1 86 LEU HA 1 86 LEU HB2 2.941 . 4.022 2.825 2.378 2.893 . 0 0 "[ . 1 . 2]" 2
24 1 8 ARG HA 1 10 GLN QG 2.550 . 3.363 3.025 2.310 3.796 0.433 14 0 "[ . 1 . 2]" 2
25 1 8 ARG HA 1 10 GLN QB 3.126 . 4.347 4.109 3.554 5.267 0.920 14 2 "[- . 1 +. 2]" 2
26 1 46 LEU HB2 1 74 ALA HA 2.682 . 3.581 2.388 2.234 2.495 . 0 0 "[ . 1 . 2]" 2
27 1 94 ALA HA 1 95 GLU HA 3.475 . 4.984 4.425 4.318 4.472 . 0 0 "[ . 1 . 2]" 2
28 1 50 ALA HA 1 53 LEU HB3 3.033 . 4.183 2.697 2.551 2.835 . 0 0 "[ . 1 . 2]" 2
29 1 47 ALA HA 1 71 TYR HD2 4.147 . 6.297 4.570 4.438 4.716 . 0 0 "[ . 1 . 2]" 2
30 1 60 LEU HA 1 60 LEU QB 2.363 . 3.061 2.417 2.344 2.466 . 0 0 "[ . 1 . 2]" 2
31 1 79 MET HA 1 83 LYS HA 3.803 . 5.611 4.211 4.115 4.361 . 0 0 "[ . 1 . 2]" 2
32 1 37 MET ME 1 41 PRO QD 4.030 . 6.060 3.130 1.966 5.026 0.034 9 0 "[ . 1 . 2]" 2
33 1 60 LEU QB 1 60 LEU QD 2.401 . 3.122 2.050 1.944 2.065 . 0 0 "[ . 1 . 2]" 2
34 1 53 LEU HA 1 66 ARG QD 4.332 . 6.678 3.819 2.351 4.030 . 0 0 "[ . 1 . 2]" 2
35 1 48 ARG HA 1 48 ARG QD 3.307 . 4.674 3.326 1.962 3.751 . 0 0 "[ . 1 . 2]" 2
36 1 48 ARG HB3 1 48 ARG QD 2.140 . 2.712 2.307 2.077 3.080 0.368 1 0 "[ . 1 . 2]" 2
37 1 42 ARG HD3 1 46 LEU QD 3.624 . 5.266 2.950 2.007 4.293 . 0 0 "[ . 1 . 2]" 2
38 1 46 LEU HB3 1 70 LEU HA 3.325 . 4.707 3.968 3.729 4.310 . 0 0 "[ . 1 . 2]" 2
39 1 62 LYS QE 1 64 PRO HB2 4.282 . 6.574 4.048 3.186 5.635 . 0 0 "[ . 1 . 2]" 2
40 1 53 LEU HA 1 54 PHE HB3 4.201 . 6.407 5.367 5.223 5.548 . 0 0 "[ . 1 . 2]" 2
41 1 53 LEU HA 1 54 PHE HB2 3.993 . 5.986 5.031 5.001 5.073 . 0 0 "[ . 1 . 2]" 2
42 1 16 LEU QD 1 88 ASN HB2 3.405 . 4.854 3.537 2.582 4.556 . 0 0 "[ . 1 . 2]" 2
43 1 19 TYR HB2 1 19 TYR QD 3.485 . 5.003 2.427 2.283 2.679 . 0 0 "[ . 1 . 2]" 2
44 1 43 TYR HB2 1 90 TYR HD2 3.286 . 4.636 2.647 1.960 3.200 . 0 0 "[ . 1 . 2]" 2
45 1 61 GLU QG 1 62 LYS HA 2.723 . 3.650 3.848 3.289 5.331 1.681 11 3 "[ . * 1+ . -2]" 2
46 1 97 ALA HA 1 100 GLN QG 3.896 . 5.793 4.357 3.490 4.978 . 0 0 "[ . 1 . 2]" 2
47 1 8 ARG HA 1 10 GLN QG 2.866 . 3.893 3.458 2.779 4.423 0.530 11 1 "[ . 1+ . 2]" 2
48 1 62 LYS QB 1 62 LYS QE 3.163 . 4.414 2.085 1.849 3.530 0.063 4 0 "[ . 1 . 2]" 2
49 1 37 MET QB 1 82 MET QG 2.188 . 6.000 5.108 2.123 7.756 1.756 13 2 "[ . 1 + . -2]" 2
50 1 42 ARG HA 1 45 MET HB3 2.928 . 4.000 2.746 2.549 2.893 . 0 0 "[ . 1 . 2]" 2
51 1 52 MET HB3 1 52 MET HG3 2.040 . 2.560 2.256 2.230 2.291 . 0 0 "[ . 1 . 2]" 2
52 1 45 MET HA 1 45 MET HG3 3.626 . 5.269 2.926 2.551 3.638 . 0 0 "[ . 1 . 2]" 2
53 1 45 MET HB3 1 45 MET HG2 3.030 . 4.177 2.386 2.187 2.821 . 0 0 "[ . 1 . 2]" 2
54 1 16 LEU QD 1 79 MET HB3 3.254 . 4.577 3.421 2.309 5.029 0.452 6 0 "[ . 1 . 2]" 2
55 1 54 PHE HE2 1 96 GLU QB 4.245 . 6.498 4.511 2.601 5.271 . 0 0 "[ . 1 . 2]" 2
56 1 55 THR HA 1 62 LYS HD2 3.781 . 5.568 3.479 2.613 4.093 . 0 0 "[ . 1 . 2]" 2
57 1 93 LYS HD3 1 96 GLU QB 3.893 . 5.788 3.197 2.222 3.949 . 0 0 "[ . 1 . 2]" 2
58 1 12 TRP QB 1 12 TRP HE3 3.134 . 4.362 2.567 2.460 2.680 . 0 0 "[ . 1 . 2]" 2
59 1 15 ALA HA 1 18 TRP QB 3.585 . 5.191 3.593 2.726 5.039 . 0 0 "[ . 1 . 2]" 2
60 1 41 PRO QG 1 43 TYR QE 4.909 . 7.921 4.166 3.635 4.702 . 0 0 "[ . 1 . 2]" 2
61 1 42 ARG HG2 1 75 ALA HA 3.790 . 6.000 5.339 4.890 5.787 . 0 0 "[ . 1 . 2]" 2
62 1 6 PRO QG 1 11 ASP QB 3.429 . 4.899 3.091 1.957 6.610 1.711 11 1 "[ . 1+ . 2]" 2
63 1 23 LEU QD 1 23 LEU HG 1.886 . 2.331 1.685 1.684 1.686 . 0 0 "[ . 1 . 2]" 2
64 1 11 ASP HA 1 13 LEU QD 3.915 . 5.831 3.706 3.043 4.647 . 0 0 "[ . 1 . 2]" 2
65 1 12 TRP HB3 1 13 LEU QD 3.871 . 5.745 4.216 3.577 5.330 . 0 0 "[ . 1 . 2]" 2
66 1 23 LEU QD 1 23 LEU HG 1.677 . 2.029 1.650 1.623 1.654 . 0 0 "[ . 1 . 2]" 2
67 1 43 TYR HB3 1 86 LEU QD 3.657 . 5.329 3.450 1.929 4.304 0.056 13 0 "[ . 1 . 2]" 2
68 1 23 LEU QD 1 23 LEU HG 1.741 . 2.120 1.641 1.638 1.647 . 0 0 "[ . 1 . 2]" 2
69 1 12 TRP QB 1 16 LEU QD 3.730 . 5.469 3.667 2.566 4.814 . 0 0 "[ . 1 . 2]" 2
70 1 21 THR HA 1 21 THR MG 1.826 . 2.243 2.007 1.938 2.103 . 0 0 "[ . 1 . 2]" 2
71 1 22 ALA MB 1 72 THR MG 2.114 . 6.000 5.882 2.086 6.291 0.291 5 0 "[ . 1 . 2]" 2
72 1 87 ALA MB 1 88 ASN HB3 3.859 . 5.720 3.986 3.845 4.194 . 0 0 "[ . 1 . 2]" 2
73 1 43 TYR QE 1 87 ALA MB 3.276 . 6.000 4.502 2.237 6.167 0.167 13 0 "[ . 1 . 2]" 2
74 1 37 MET HG2 1 81 ALA MB 3.619 . 5.256 3.581 1.929 3.895 0.053 7 0 "[ . 1 . 2]" 2
75 1 44 MET ME 1 87 ALA MB 3.392 . 6.000 5.702 5.393 6.019 0.019 14 0 "[ . 1 . 2]" 2
76 1 12 TRP QB 1 15 ALA MB 3.597 . 5.215 3.385 3.157 3.795 . 0 0 "[ . 1 . 2]" 2
77 1 45 MET HB3 1 47 ALA MB 3.903 . 5.807 5.469 5.331 5.579 . 0 0 "[ . 1 . 2]" 2
78 1 13 LEU HG 1 15 ALA MB 1.681 . 6.000 4.739 1.961 6.216 0.216 16 0 "[ . 1 . 2]" 2
79 1 15 ALA MB 1 16 LEU QD 2.325 . 3.000 3.456 2.394 4.516 1.516 11 10 "[ ***. * *+ * .* - *]" 2
80 1 73 GLN HB2 1 94 ALA MB 4.382 . 6.782 5.235 5.115 5.371 . 0 0 "[ . 1 . 2]" 2
81 1 54 PHE HZ 1 97 ALA MB 3.037 . 4.190 3.503 3.347 3.659 . 0 0 "[ . 1 . 2]" 2
82 1 78 ALA MB 1 90 TYR HD2 2.689 . 3.593 2.458 2.127 2.711 . 0 0 "[ . 1 . 2]" 2
83 1 50 ALA MB 1 70 LEU QB 2.352 . 3.043 1.903 1.804 2.190 . 0 0 "[ . 1 . 2]" 2
84 1 47 ALA MB 1 50 ALA MB 2.803 . 3.785 2.985 2.375 3.191 . 0 0 "[ . 1 . 2]" 2
85 1 41 PRO QB 1 86 LEU HB2 4.803 . 7.686 5.785 5.131 7.212 . 0 0 "[ . 1 . 2]" 2
86 1 41 PRO QB 1 43 TYR QD 4.983 . 8.087 3.448 3.272 3.755 . 0 0 "[ . 1 . 2]" 2
87 1 56 GLY QA 1 62 LYS QB 3.793 . 5.591 2.539 1.877 3.868 0.118 16 0 "[ . 1 . 2]" 2
88 1 62 LYS QB 1 64 PRO HD3 3.971 . 5.942 3.989 3.490 4.396 . 0 0 "[ . 1 . 2]" 2
89 1 41 PRO QB 1 43 TYR HA 3.936 . 5.873 4.909 4.764 5.024 . 0 0 "[ . 1 . 2]" 2
90 1 43 TYR HB2 1 46 LEU QD 4.583 . 7.208 4.151 3.906 4.355 . 0 0 "[ . 1 . 2]" 2
91 1 44 MET HB2 1 47 ALA MB 4.729 . 7.525 4.973 4.735 5.132 . 0 0 "[ . 1 . 2]" 2
92 1 44 MET HB3 1 47 ALA MB 4.426 . 6.875 4.448 4.170 4.639 . 0 0 "[ . 1 . 2]" 2
93 1 45 MET ME 1 46 LEU HA 3.085 . 4.275 2.799 2.603 3.005 . 0 0 "[ . 1 . 2]" 2
94 1 42 ARG HA 1 46 LEU QD 3.518 . 5.065 2.233 1.977 2.408 . 0 0 "[ . 1 . 2]" 2
95 1 46 LEU QD 1 46 LEU HG 1.946 . 2.420 1.816 1.731 1.890 . 0 0 "[ . 1 . 2]" 2
96 1 47 ALA HA 1 70 LEU QB 4.139 . 6.281 4.138 3.839 4.986 . 0 0 "[ . 1 . 2]" 2
97 1 50 ALA HA 1 52 MET HB3 4.936 . 7.982 4.512 4.270 4.913 . 0 0 "[ . 1 . 2]" 2
98 1 50 ALA HA 1 70 LEU QB 2.829 . 3.829 2.534 2.255 2.924 . 0 0 "[ . 1 . 2]" 2
99 1 78 ALA HA 1 90 TYR HD2 3.955 . 5.911 4.520 4.020 4.929 . 0 0 "[ . 1 . 2]" 2
100 1 47 ALA MB 1 71 TYR HB3 4.173 . 6.349 4.071 3.924 4.143 . 0 0 "[ . 1 . 2]" 2
101 1 71 TYR HB3 1 90 TYR QB 3.558 . 5.140 2.896 2.800 2.987 . 0 0 "[ . 1 . 2]" 2
102 1 43 TYR HB3 1 90 TYR HD2 4.198 . 6.401 4.023 3.250 4.489 . 0 0 "[ . 1 . 2]" 2
103 1 88 ASN HB3 1 90 TYR HD2 5.080 . 8.306 7.332 6.973 8.002 . 0 0 "[ . 1 . 2]" 2
104 1 16 LEU QD 1 87 ALA MB 2.107 . 2.662 2.542 2.028 3.807 1.145 6 4 "[ * .+ - * . 2]" 2
105 1 77 ALA MB 1 90 TYR HD2 3.670 . 5.354 4.952 4.398 5.484 0.130 20 0 "[ . 1 . 2]" 2
106 1 12 TRP HA 1 13 LEU QD 4.382 . 6.782 4.587 4.228 5.100 . 0 0 "[ . 1 . 2]" 2
107 1 13 LEU QD 1 15 ALA HA 4.646 . 7.344 5.975 5.141 6.480 . 0 0 "[ . 1 . 2]" 2
108 1 62 LYS HG3 1 67 SER QB 4.592 . 7.228 5.276 4.759 6.060 . 0 0 "[ . 1 . 2]" 2
109 1 61 GLU QG 1 62 LYS HG2 4.583 . 7.208 4.584 3.056 6.117 . 0 0 "[ . 1 . 2]" 2
110 1 51 GLU HB2 1 93 LYS HG3 4.572 . 7.185 5.355 4.200 5.872 . 0 0 "[ . 1 . 2]" 2
111 1 12 TRP QB 1 13 LEU HG 4.830 . 7.746 5.637 4.607 7.143 . 0 0 "[ . 1 . 2]" 2
112 1 9 CYS QB 1 12 TRP QB 4.358 . 6.732 5.342 4.095 6.392 . 0 0 "[ . 1 . 2]" 2
113 1 12 TRP QB 1 14 GLU HB2 4.762 . 7.597 5.847 4.734 7.077 . 0 0 "[ . 1 . 2]" 2
114 1 12 TRP QB 1 13 LEU HA 4.330 . 6.673 4.490 4.191 4.693 . 0 0 "[ . 1 . 2]" 2
115 1 12 TRP QB 1 12 TRP HZ3 5.767 . 9.925 4.800 4.722 4.884 . 0 0 "[ . 1 . 2]" 2
116 1 89 GLN HB3 1 93 LYS HB2 5.132 . 8.424 3.854 3.632 4.129 . 0 0 "[ . 1 . 2]" 2
117 1 100 GLN QG 1 103 GLU QB 3.543 . 5.112 3.775 2.034 5.599 0.487 2 0 "[ . 1 . 2]" 2
118 1 88 ASN HB2 1 89 GLN HB3 4.750 . 7.570 4.497 3.934 4.880 . 0 0 "[ . 1 . 2]" 2
119 1 66 ARG HB2 1 69 ASP QB 4.615 . 7.277 3.940 3.698 4.174 . 0 0 "[ . 1 . 2]" 2
120 1 86 LEU HB2 1 90 TYR HD2 4.554 . 7.146 3.974 3.637 4.442 . 0 0 "[ . 1 . 2]" 2
121 1 86 LEU HB3 1 90 TYR HD2 3.932 . 5.865 2.567 2.196 3.048 . 0 0 "[ . 1 . 2]" 2
122 1 68 GLY HA3 1 72 THR MG 3.509 . 5.048 3.003 2.648 3.254 . 0 0 "[ . 1 . 2]" 2
123 1 68 GLY HA2 1 72 THR MG 3.577 . 5.177 2.917 2.515 3.151 . 0 0 "[ . 1 . 2]" 2
124 1 67 SER QB 1 68 GLY HA2 5.497 . 9.275 3.838 3.695 3.949 . 0 0 "[ . 1 . 2]" 2
125 1 67 SER QB 1 68 GLY HA3 4.800 . 7.680 4.113 4.003 4.203 . 0 0 "[ . 1 . 2]" 2
126 1 68 GLY HA3 1 91 TYR HA 4.315 . 6.643 5.857 5.484 6.071 . 0 0 "[ . 1 . 2]" 2
127 1 14 GLU HB2 1 84 GLY QA 4.846 . 7.781 6.986 5.763 7.783 0.002 19 0 "[ . 1 . 2]" 2
128 1 16 LEU QD 1 84 GLY QA 4.491 . 7.012 4.082 3.266 5.417 . 0 0 "[ . 1 . 2]" 2
129 1 53 LEU HB3 1 63 ASP HA 4.648 . 7.349 4.277 4.128 4.442 . 0 0 "[ . 1 . 2]" 2
130 1 63 ASP HA 1 64 PRO HB2 5.262 . 8.723 3.764 3.719 3.834 . 0 0 "[ . 1 . 2]" 2
131 1 37 MET HG2 1 41 PRO QD 5.420 . 9.093 4.631 3.735 5.222 . 0 0 "[ . 1 . 2]" 2
132 1 4 MET HG3 1 6 PRO QD 5.643 . 9.623 4.953 2.562 6.666 . 0 0 "[ . 1 . 2]" 2
133 1 62 LYS QB 1 64 PRO HD3 4.044 . 6.088 3.939 3.473 4.285 . 0 0 "[ . 1 . 2]" 2
134 1 62 LYS HD3 1 64 PRO HD3 4.884 . 7.866 4.756 2.914 5.242 . 0 0 "[ . 1 . 2]" 2
135 1 62 LYS QB 1 64 PRO HD2 5.426 . 9.106 5.454 5.052 5.710 . 0 0 "[ . 1 . 2]" 2
136 1 45 MET ME 1 74 ALA HA 4.985 . 8.092 5.116 4.657 5.934 . 0 0 "[ . 1 . 2]" 2
137 1 85 ARG HA 1 86 LEU HA 4.959 . 8.033 4.490 4.430 4.526 . 0 0 "[ . 1 . 2]" 2
138 1 83 LYS HB2 1 86 LEU HA 4.997 . 8.118 3.662 3.359 3.859 . 0 0 "[ . 1 . 2]" 2
139 1 54 PHE HD1 1 55 THR HA 4.485 . 6.999 4.259 3.328 4.800 . 0 0 "[ . 1 . 2]" 2
140 1 10 GLN QG 1 13 LEU QD 4.270 . 6.549 3.918 2.688 5.161 . 0 0 "[ . 1 . 2]" 2
141 1 47 ALA MB 1 90 TYR HD2 2.887 . 3.929 2.640 2.392 2.968 . 0 0 "[ . 1 . 2]" 2
142 1 64 PRO HB2 1 97 ALA MB 4.361 . 6.739 4.209 3.857 4.501 . 0 0 "[ . 1 . 2]" 2
143 1 63 ASP HB3 1 97 ALA MB 4.640 . 7.331 5.754 5.513 5.997 . 0 0 "[ . 1 . 2]" 2
144 1 95 GLU HB2 1 99 ALA MB 3.518 . 5.065 3.941 3.427 4.245 . 0 0 "[ . 1 . 2]" 2
145 1 9 CYS QB 1 79 MET HA 3.759 . 5.526 4.783 2.754 7.816 2.290 13 4 "[ . -* + . *]" 2
146 1 11 ASP QB 1 12 TRP QB 5.002 . 8.129 4.171 3.786 5.190 . 0 0 "[ . 1 . 2]" 2
147 1 45 MET HG2 1 48 ARG QG 4.765 . 7.603 3.471 2.365 4.550 . 0 0 "[ . 1 . 2]" 2
148 1 51 GLU HA 1 93 LYS HD3 4.552 . 7.143 5.846 4.386 7.883 0.740 14 1 "[ . 1 +. 2]" 2
149 1 76 GLU HB3 1 87 ALA MB 3.482 . 6.000 5.786 5.253 6.215 0.215 18 0 "[ . 1 . 2]" 2
150 1 54 PHE HD1 1 64 PRO HA 4.580 . 7.202 4.628 3.937 4.888 . 0 0 "[ . 1 . 2]" 2
151 1 12 TRP HA 1 13 LEU QD 4.296 . 6.602 3.949 3.118 4.850 . 0 0 "[ . 1 . 2]" 2
152 1 26 THR MG 1 28 CYS QB 4.225 . 6.456 4.454 3.017 5.870 . 0 0 "[ . 1 . 2]" 2
153 1 10 GLN HA 1 10 GLN QG 2.802 . 3.783 2.939 2.409 3.345 . 0 0 "[ . 1 . 2]" 2
154 1 44 MET HA 1 78 ALA MB 3.844 . 5.691 4.781 4.720 4.826 . 0 0 "[ . 1 . 2]" 2
155 1 43 TYR QD 1 77 ALA MB 4.100 . 6.201 2.968 2.298 3.562 . 0 0 "[ . 1 . 2]" 2
156 1 52 MET HA 1 58 TYR HD2 4.539 . 7.114 5.722 3.293 7.684 0.570 16 1 "[ . 1 .+ 2]" 2
157 1 19 TYR QD 1 24 GLU HB3 4.614 . 7.275 4.652 2.529 7.515 0.240 8 0 "[ . 1 . 2]" 2
158 1 34 TYR HB3 1 34 TYR HD1 3.127 . 4.349 2.846 2.269 3.327 . 0 0 "[ . 1 . 2]" 2
159 1 51 GLU HA 1 54 PHE HD1 4.406 . 6.832 3.672 3.257 3.910 . 0 0 "[ . 1 . 2]" 2
160 1 74 ALA MB 1 90 TYR HD2 3.307 . 4.674 2.453 2.172 2.682 . 0 0 "[ . 1 . 2]" 2
161 1 90 TYR HD2 1 93 LYS HB3 4.479 . 6.987 6.212 5.983 6.566 . 0 0 "[ . 1 . 2]" 2
162 1 10 GLN QG 1 12 TRP HD1 5.524 . 9.338 5.636 4.050 6.549 . 0 0 "[ . 1 . 2]" 2
163 1 11 ASP HA 1 12 TRP HD1 4.368 . 6.753 4.279 4.054 4.462 . 0 0 "[ . 1 . 2]" 2
164 1 12 TRP QB 1 12 TRP HD1 2.848 . 3.862 2.617 2.553 2.692 . 0 0 "[ . 1 . 2]" 2
165 1 12 TRP HA 1 12 TRP HE3 4.048 . 6.096 3.263 2.878 4.063 . 0 0 "[ . 1 . 2]" 2
166 1 37 MET ME 1 43 TYR QE 3.956 . 5.912 2.553 1.926 3.007 0.074 5 0 "[ . 1 . 2]" 2
167 1 43 TYR QE 1 81 ALA MB 3.410 . 4.863 2.451 2.095 2.886 . 0 0 "[ . 1 . 2]" 2
168 1 19 TYR QE 1 25 MET QG 4.511 . 7.055 3.701 1.997 8.002 0.947 4 1 "[ +. 1 . 2]" 2
169 1 19 TYR HA 1 19 TYR QE 4.317 . 6.646 4.334 3.917 4.827 . 0 0 "[ . 1 . 2]" 2
170 1 19 TYR QE 1 21 THR MG 3.615 . 5.248 3.406 1.875 6.514 1.266 8 1 "[ . + 1 . 2]" 2
171 1 78 ALA HA 1 90 TYR QE 4.447 . 6.919 3.817 3.684 3.893 . 0 0 "[ . 1 . 2]" 2
172 1 47 ALA MB 1 90 TYR QE 2.932 . 4.007 2.475 2.256 2.692 . 0 0 "[ . 1 . 2]" 2
173 1 58 TYR HB2 1 58 TYR HE2 4.019 . 6.038 4.051 4.000 4.267 . 0 0 "[ . 1 . 2]" 2
174 1 12 TRP HZ2 1 16 LEU QB 4.860 . 7.813 6.971 5.780 8.466 0.653 14 1 "[ . 1 +. 2]" 2
175 1 34 TYR HB2 1 34 TYR HD1 3.135 . 4.363 2.402 2.076 3.328 . 0 0 "[ . 1 . 2]" 2
176 1 54 PHE HZ 1 64 PRO QG 4.772 . 7.618 3.968 2.362 4.811 . 0 0 "[ . 1 . 2]" 2
177 1 41 PRO HA 1 43 TYR QD 4.721 . 7.507 3.206 2.896 3.479 . 0 0 "[ . 1 . 2]" 2
178 1 42 ARG HA 1 43 TYR QD 5.458 . 9.181 4.746 4.615 5.085 . 0 0 "[ . 1 . 2]" 2
179 1 37 MET ME 1 43 TYR QD 5.574 . 9.458 3.362 3.141 3.684 . 0 0 "[ . 1 . 2]" 2
180 1 43 TYR QE 1 83 LYS HB2 4.347 . 6.709 3.578 2.932 3.908 . 0 0 "[ . 1 . 2]" 2
181 1 86 LEU HA 1 90 TYR QE 3.854 . 5.711 4.121 3.930 4.361 . 0 0 "[ . 1 . 2]" 2
182 1 77 ALA MB 1 90 TYR QE 3.440 . 6.000 5.219 4.649 5.783 . 0 0 "[ . 1 . 2]" 2
183 1 11 ASP QB 1 12 TRP HE3 5.430 . 9.116 5.139 2.725 6.579 . 0 0 "[ . 1 . 2]" 2
184 1 12 TRP HE3 1 16 LEU QD 4.035 . 6.070 2.854 2.005 3.942 . 0 0 "[ . 1 . 2]" 2
185 1 16 LEU QD 1 18 TRP HD1 4.901 . 7.904 6.671 5.779 7.554 . 0 0 "[ . 1 . 2]" 2
186 1 12 TRP HD1 1 15 ALA MB 5.069 . 8.281 5.428 4.578 5.891 . 0 0 "[ . 1 . 2]" 2
187 1 70 LEU HA 1 72 THR H 3.569 . 5.161 3.377 3.348 3.404 . 0 0 "[ . 1 . 2]" 2
188 1 101 MET HB3 1 103 GLU H 4.606 . 7.258 4.240 2.598 4.763 . 0 0 "[ . 1 . 2]" 2
189 1 70 LEU HA 1 74 ALA H 3.270 . 4.607 3.109 3.002 3.191 . 0 0 "[ . 1 . 2]" 2
190 1 78 ALA H 1 79 MET HA 4.837 . 7.762 5.031 5.001 5.062 . 0 0 "[ . 1 . 2]" 2
191 1 74 ALA HA 1 78 ALA H 3.836 . 5.676 3.688 3.640 3.743 . 0 0 "[ . 1 . 2]" 2
192 1 78 ALA H 1 79 MET HB3 4.525 . 7.084 4.394 4.126 4.875 . 0 0 "[ . 1 . 2]" 2
193 1 67 SER QB 1 69 ASP H 4.536 . 7.107 4.258 4.209 4.310 . 0 0 "[ . 1 . 2]" 2
194 1 66 ARG HB2 1 69 ASP H 4.461 . 6.949 4.457 4.309 4.711 . 0 0 "[ . 1 . 2]" 2
195 1 37 MET ME 1 42 ARG H 4.621 . 7.290 3.361 3.034 3.503 . 0 0 "[ . 1 . 2]" 2
196 1 40 GLU QB 1 42 ARG H 3.542 . 5.111 4.762 4.606 4.971 . 0 0 "[ . 1 . 2]" 2
197 1 61 GLU H 1 61 GLU QG 3.623 . 5.264 3.508 2.163 4.064 . 0 0 "[ . 1 . 2]" 2
198 1 60 LEU QB 1 61 GLU H 2.926 . 3.996 3.235 2.953 3.361 . 0 0 "[ . 1 . 2]" 2
199 1 60 LEU QD 1 61 GLU H 3.717 . 5.444 3.364 3.184 3.599 . 0 0 "[ . 1 . 2]" 2
200 1 28 CYS QB 1 29 ASP H 4.293 . 6.596 3.768 2.546 4.011 . 0 0 "[ . 1 . 2]" 2
201 1 40 GLU H 1 40 GLU QB 2.509 . 3.296 2.480 2.254 3.086 . 0 0 "[ . 1 . 2]" 2
202 1 68 GLY HA2 1 70 LEU H 4.110 . 6.222 4.107 3.934 4.481 . 0 0 "[ . 1 . 2]" 2
203 1 70 LEU H 1 72 THR MG 3.620 . 5.258 5.183 4.948 5.351 0.093 5 0 "[ . 1 . 2]" 2
204 1 72 THR HA 1 75 ALA H 2.972 . 4.076 2.923 2.812 3.015 . 0 0 "[ . 1 . 2]" 2
205 1 62 LYS H 1 62 LYS QB 2.353 . 3.045 2.514 2.340 2.779 . 0 0 "[ . 1 . 2]" 2
206 1 79 MET HA 1 80 GLU H 2.688 . 3.591 2.722 2.695 2.748 . 0 0 "[ . 1 . 2]" 2
207 1 10 GLN H 1 11 ASP HA 4.254 . 6.516 4.350 3.538 4.955 . 0 0 "[ . 1 . 2]" 2
208 1 9 CYS QB 1 10 GLN H 4.247 . 6.502 3.732 3.001 3.999 . 0 0 "[ . 1 . 2]" 2
209 1 10 GLN H 1 11 ASP QB 3.897 . 5.796 3.365 2.697 3.672 . 0 0 "[ . 1 . 2]" 2
210 1 74 ALA HA 1 77 ALA H 3.069 . 4.246 3.064 2.993 3.136 . 0 0 "[ . 1 . 2]" 2
211 1 49 GLU HA 1 50 ALA H 3.474 . 4.983 3.390 3.364 3.410 . 0 0 "[ . 1 . 2]" 2
212 1 49 GLU HB3 1 50 ALA H 2.641 . 3.513 2.219 2.135 2.416 . 0 0 "[ . 1 . 2]" 2
213 1 50 ALA H 1 70 LEU QB 3.403 . 4.851 3.079 2.707 3.937 . 0 0 "[ . 1 . 2]" 2
214 1 47 ALA MB 1 50 ALA H 3.356 . 4.764 3.599 3.150 3.788 . 0 0 "[ . 1 . 2]" 2
215 1 50 ALA H 1 50 ALA MB 2.161 . 2.745 2.079 2.064 2.103 . 0 0 "[ . 1 . 2]" 2
216 1 12 TRP H 1 13 LEU HA 3.754 . 5.515 3.479 3.458 3.513 . 0 0 "[ . 1 . 2]" 2
217 1 12 TRP H 1 14 GLU HB2 3.833 . 5.669 4.962 4.627 5.924 0.255 2 0 "[ . 1 . 2]" 2
218 1 11 ASP HA 1 13 LEU H 3.199 . 4.478 3.253 3.088 3.404 . 0 0 "[ . 1 . 2]" 2
219 1 12 TRP QB 1 13 LEU H 3.724 . 5.457 3.627 3.486 3.718 . 0 0 "[ . 1 . 2]" 2
220 1 50 ALA H 1 52 MET HB3 4.053 . 6.106 5.796 5.706 5.842 . 0 0 "[ . 1 . 2]" 2
221 1 48 ARG HA 1 50 ALA H 3.369 . 4.788 3.263 3.148 3.395 . 0 0 "[ . 1 . 2]" 2
222 1 51 GLU H 1 51 GLU QG 2.999 . 4.123 3.906 2.635 4.073 . 0 0 "[ . 1 . 2]" 2
223 1 96 GLU H 1 99 ALA H 2.848 . 6.000 3.978 3.701 4.220 . 0 0 "[ . 1 . 2]" 2
224 1 11 ASP HA 1 12 TRP H 2.395 . 3.112 2.717 2.685 2.779 . 0 0 "[ . 1 . 2]" 2
225 1 12 TRP H 1 12 TRP QB 2.655 . 3.536 2.606 2.452 2.852 . 0 0 "[ . 1 . 2]" 2
226 1 57 GLY H 1 60 LEU H 3.138 . 4.369 3.283 2.983 3.689 . 0 0 "[ . 1 . 2]" 2
227 1 58 TYR HA 1 60 LEU H 4.093 . 6.187 3.869 3.587 4.171 . 0 0 "[ . 1 . 2]" 2
228 1 60 LEU H 1 60 LEU QB 2.214 . 2.827 2.420 2.335 2.528 . 0 0 "[ . 1 . 2]" 2
229 1 60 LEU H 1 60 LEU QD 3.104 . 4.309 2.483 2.248 3.330 . 0 0 "[ . 1 . 2]" 2
230 1 83 LYS HB3 1 86 LEU H 2.909 . 3.966 2.892 2.742 3.206 . 0 0 "[ . 1 . 2]" 2
231 1 53 LEU HA 1 63 ASP H 2.961 . 4.057 3.186 3.083 3.345 . 0 0 "[ . 1 . 2]" 2
232 1 53 LEU HB2 1 63 ASP H 3.754 . 5.515 4.226 3.991 4.657 . 0 0 "[ . 1 . 2]" 2
233 1 53 LEU HB3 1 63 ASP H 2.915 . 3.977 2.866 2.649 3.127 . 0 0 "[ . 1 . 2]" 2
234 1 70 LEU HA 1 71 TYR H 2.784 . 3.753 2.725 2.716 2.735 . 0 0 "[ . 1 . 2]" 2
235 1 50 ALA HA 1 71 TYR H 4.256 . 6.520 4.226 4.050 4.466 . 0 0 "[ . 1 . 2]" 2
236 1 70 LEU QB 1 71 TYR H 3.052 . 4.216 2.726 2.649 2.851 . 0 0 "[ . 1 . 2]" 2
237 1 46 LEU HB3 1 71 TYR H 3.916 . 5.833 4.413 4.083 4.852 . 0 0 "[ . 1 . 2]" 2
238 1 32 GLY H 1 33 GLU H 3.141 . 4.375 3.025 2.416 3.677 . 0 0 "[ . 1 . 2]" 2
239 1 11 ASP H 1 11 ASP HA 2.544 . 3.353 2.554 2.509 2.615 . 0 0 "[ . 1 . 2]" 2
240 1 79 MET HA 1 83 LYS H 2.620 . 3.478 2.587 2.326 2.961 . 0 0 "[ . 1 . 2]" 2
241 1 38 GLN HG3 1 39 ASP H 3.893 . 5.788 3.608 3.245 3.806 . 0 0 "[ . 1 . 2]" 2
242 1 81 ALA MB 1 83 LYS H 3.341 . 4.737 3.122 2.781 3.404 . 0 0 "[ . 1 . 2]" 2
243 1 39 ASP H 1 39 ASP HB2 2.696 . 3.604 2.826 2.372 3.409 . 0 0 "[ . 1 . 2]" 2
244 1 17 HIS HA 1 18 TRP H 2.844 . 3.855 2.778 2.732 2.806 . 0 0 "[ . 1 . 2]" 2
245 1 42 ARG HA 1 45 MET H 2.653 . 3.533 2.713 2.661 2.760 . 0 0 "[ . 1 . 2]" 2
246 1 42 ARG HG3 1 45 MET H 4.526 . 7.087 5.044 4.114 5.484 . 0 0 "[ . 1 . 2]" 2
247 1 44 MET QG 1 45 MET H 4.157 . 6.317 3.904 3.825 3.974 . 0 0 "[ . 1 . 2]" 2
248 1 23 LEU HA 1 24 GLU H 2.150 . 2.728 2.505 2.083 2.800 0.072 16 0 "[ . 1 . 2]" 2
249 1 7 ASP H 1 8 ARG H 2.593 . 3.434 2.321 1.736 2.528 0.016 13 0 "[ . 1 . 2]" 2
250 1 8 ARG H 1 8 ARG HB2 2.479 . 3.247 2.680 2.400 3.006 . 0 0 "[ . 1 . 2]" 2
251 1 93 LYS H 1 93 LYS HD3 3.797 . 5.600 4.059 3.394 4.197 . 0 0 "[ . 1 . 2]" 2
252 1 93 LYS H 1 93 LYS HG2 3.974 . 5.948 3.696 3.548 3.744 . 0 0 "[ . 1 . 2]" 2
253 1 37 MET H 1 38 GLN H 2.929 . 4.001 3.202 2.259 4.087 0.086 5 0 "[ . 1 . 2]" 2
254 1 45 MET HA 1 46 LEU H 2.723 . 3.650 2.713 2.702 2.726 . 0 0 "[ . 1 . 2]" 2
255 1 46 LEU H 1 46 LEU HG 2.593 . 3.434 3.228 2.238 3.548 0.114 18 0 "[ . 1 . 2]" 2
256 1 17 HIS HA 1 19 TYR H 3.071 . 4.250 3.098 2.936 3.399 . 0 0 "[ . 1 . 2]" 2
257 1 18 TRP QB 1 19 TYR H 3.671 . 5.355 3.457 2.768 3.863 . 0 0 "[ . 1 . 2]" 2
258 1 22 ALA H 1 23 LEU H 2.330 . 3.008 2.447 2.056 2.779 . 0 0 "[ . 1 . 2]" 2
259 1 22 ALA HA 1 23 LEU H 2.146 . 2.722 2.706 1.983 2.812 0.090 7 0 "[ . 1 . 2]" 2
260 1 95 GLU QG 1 96 GLU H 3.692 . 5.396 3.451 2.312 3.805 . 0 0 "[ . 1 . 2]" 2
261 1 23 LEU H 1 23 LEU HB2 2.296 . 2.955 2.437 2.155 3.223 0.268 20 0 "[ . 1 . 2]" 2
262 1 11 ASP HA 1 14 GLU H 3.451 . 4.940 3.342 2.969 4.014 . 0 0 "[ . 1 . 2]" 2
263 1 46 LEU HG 1 47 ALA H 4.226 . 6.459 4.601 4.150 4.801 . 0 0 "[ . 1 . 2]" 2
264 1 80 GLU H 1 81 ALA H 2.239 . 2.866 2.301 2.200 2.392 . 0 0 "[ . 1 . 2]" 2
265 1 79 MET HA 1 81 ALA H 3.251 . 4.572 3.284 3.180 3.352 . 0 0 "[ . 1 . 2]" 2
266 1 37 MET ME 1 81 ALA H 4.179 . 6.362 5.243 4.662 5.716 . 0 0 "[ . 1 . 2]" 2
267 1 81 ALA H 1 83 LYS HB2 3.611 . 5.241 4.298 4.139 4.454 . 0 0 "[ . 1 . 2]" 2
268 1 44 MET H 1 44 MET QG 3.058 . 4.227 2.609 2.424 2.870 . 0 0 "[ . 1 . 2]" 2
269 1 44 MET H 1 44 MET HB3 3.544 . 5.114 3.482 3.438 3.519 . 0 0 "[ . 1 . 2]" 2
270 1 8 ARG HA 1 9 CYS H 2.548 . 3.360 2.434 2.116 2.708 . 0 0 "[ . 1 . 2]" 2
271 1 65 GLN HA 1 66 ARG H 2.592 . 3.432 2.736 2.722 2.744 . 0 0 "[ . 1 . 2]" 2
272 1 66 ARG H 1 66 ARG QB 2.220 . 2.836 2.237 2.071 2.381 . 0 0 "[ . 1 . 2]" 2
273 1 46 LEU QD 1 47 ALA H 4.200 . 6.405 3.874 3.757 4.084 . 0 0 "[ . 1 . 2]" 2
274 1 76 GLU H 1 79 MET H 3.762 . 5.531 3.801 3.717 3.904 . 0 0 "[ . 1 . 2]" 2
275 1 79 MET H 1 81 ALA MB 4.344 . 6.703 4.802 4.685 4.919 . 0 0 "[ . 1 . 2]" 2
276 1 37 MET H 1 82 MET QB 3.221 . 4.518 4.867 2.859 7.611 3.093 10 7 "[* **.* + .- * 2]" 2
277 1 89 GLN HA 1 92 GLN H 2.898 . 3.948 2.703 2.655 2.761 . 0 0 "[ . 1 . 2]" 2
278 1 28 CYS H 1 28 CYS QB 3.208 . 4.495 2.707 2.304 3.158 . 0 0 "[ . 1 . 2]" 2
279 1 19 TYR HB2 1 20 ASN H 2.941 . 4.022 3.068 2.460 3.623 . 0 0 "[ . 1 . 2]" 2
280 1 15 ALA HA 1 16 LEU H 2.528 . 3.327 2.728 2.696 2.778 . 0 0 "[ . 1 . 2]" 2
281 1 16 LEU H 1 16 LEU QD 3.381 . 4.810 3.082 2.414 3.697 . 0 0 "[ . 1 . 2]" 2
282 1 48 ARG H 1 50 ALA H 3.577 . 5.177 3.773 3.726 3.814 . 0 0 "[ . 1 . 2]" 2
283 1 45 MET HB3 1 48 ARG H 4.370 . 6.757 5.224 5.131 5.301 . 0 0 "[ . 1 . 2]" 2
284 1 51 GLU HA 1 52 MET H 2.704 . 3.618 2.739 2.723 2.755 . 0 0 "[ . 1 . 2]" 2
285 1 51 GLU HB2 1 52 MET H 2.498 . 3.278 3.286 2.714 3.339 0.061 8 0 "[ . 1 . 2]" 2
286 1 5 SER H 1 5 SER QB 3.644 . 5.304 2.750 2.432 3.353 . 0 0 "[ . 1 . 2]" 2
287 1 100 GLN HB2 1 101 MET H 3.233 . 4.540 3.296 2.355 3.477 . 0 0 "[ . 1 . 2]" 2
288 1 64 PRO QG 1 101 MET H 4.167 . 6.338 4.118 3.751 4.680 . 0 0 "[ . 1 . 2]" 2
289 1 15 ALA HA 1 17 HIS H 2.898 . 3.948 3.251 3.107 3.389 . 0 0 "[ . 1 . 2]" 2
290 1 64 PRO HA 1 65 GLN H 2.641 . 3.513 2.733 2.723 2.752 . 0 0 "[ . 1 . 2]" 2
291 1 97 ALA H 1 98 TRP H 2.456 . 3.210 2.391 2.318 2.464 . 0 0 "[ . 1 . 2]" 2
292 1 99 ALA HA 1 100 GLN H 2.578 . 3.409 2.746 2.684 2.781 . 0 0 "[ . 1 . 2]" 2
293 1 100 GLN H 1 100 GLN QG 3.130 . 4.354 3.780 2.356 4.054 . 0 0 "[ . 1 . 2]" 2
294 1 64 PRO QG 1 100 GLN H 4.627 . 7.303 5.223 4.116 5.669 . 0 0 "[ . 1 . 2]" 2
295 1 20 ASN H 1 21 THR H 2.758 . 3.709 2.819 2.138 3.742 0.033 13 0 "[ . 1 . 2]" 2
296 1 21 THR H 1 21 THR HA 2.754 . 3.702 2.749 2.532 2.839 . 0 0 "[ . 1 . 2]" 2
297 1 86 LEU HA 1 88 ASN H 3.456 . 4.949 3.426 3.384 3.480 . 0 0 "[ . 1 . 2]" 2
298 1 88 ASN H 1 88 ASN QB 2.498 . 3.278 2.254 2.198 2.366 . 0 0 "[ . 1 . 2]" 2
299 1 64 PRO HA 1 67 SER H 3.124 . 4.344 3.177 3.066 3.265 . 0 0 "[ . 1 . 2]" 2
300 1 50 ALA HA 1 67 SER H 4.591 . 7.226 4.898 4.774 5.079 . 0 0 "[ . 1 . 2]" 2
301 1 82 MET H 1 82 MET QB 3.186 . 4.455 2.770 2.655 2.974 . 0 0 "[ . 1 . 2]" 2
302 1 88 ASN QB 1 88 ASN HD21 3.128 . 4.351 2.373 2.129 2.827 . 0 0 "[ . 1 . 2]" 2
303 1 100 GLN HE21 1 100 GLN QG 4.441 . 6.906 2.734 2.225 2.814 . 0 0 "[ . 1 . 2]" 2
304 1 52 MET HA 1 56 GLY H 2.500 . 3.281 2.235 2.193 2.301 . 0 0 "[ . 1 . 2]" 2
305 1 37 MET ME 1 43 TYR H 4.201 . 6.407 3.312 3.020 3.697 . 0 0 "[ . 1 . 2]" 2
306 1 31 GLY HA3 1 32 GLY H 2.148 . 2.725 2.381 2.065 2.758 0.033 5 0 "[ . 1 . 2]" 2
307 1 83 LYS HB3 1 84 GLY H 4.352 . 6.719 3.950 3.710 4.310 . 0 0 "[ . 1 . 2]" 2
308 1 83 LYS HB2 1 84 GLY H 4.713 . 7.490 4.249 3.949 4.484 . 0 0 "[ . 1 . 2]" 2
309 1 57 GLY H 1 58 TYR HA 4.115 . 6.232 4.062 3.656 5.047 . 0 0 "[ . 1 . 2]" 2
310 1 57 GLY H 1 60 LEU QB 3.204 . 4.488 3.013 2.459 3.896 . 0 0 "[ . 1 . 2]" 2
311 1 51 GLU HA 1 55 THR H 2.803 . 3.785 2.805 2.718 2.911 . 0 0 "[ . 1 . 2]" 2
312 1 64 PRO HA 1 68 GLY H 3.544 . 5.114 3.279 3.213 3.349 . 0 0 "[ . 1 . 2]" 2
313 1 50 ALA HA 1 68 GLY H 4.403 . 6.827 4.614 4.432 4.837 . 0 0 "[ . 1 . 2]" 2
314 1 64 PRO HB2 1 98 TRP H 4.640 . 7.332 4.679 4.256 4.956 . 0 0 "[ . 1 . 2]" 2
315 1 54 PHE HE2 1 100 GLN H 5.246 . 8.685 4.562 3.877 5.276 . 0 0 "[ . 1 . 2]" 2
316 1 95 GLU HA 1 98 TRP H 3.055 . 4.221 3.168 3.026 3.266 . 0 0 "[ . 1 . 2]" 2
317 1 5 SER QB 1 7 ASP H 3.943 . 5.886 3.605 2.584 5.116 . 0 0 "[ . 1 . 2]" 2
318 1 43 TYR HA 1 46 LEU H 2.949 . 4.036 2.868 2.777 3.051 . 0 0 "[ . 1 . 2]" 2
319 1 9 CYS HA 1 10 GLN H 2.345 . 3.032 2.449 2.100 2.786 . 0 0 "[ . 1 . 2]" 2
320 1 10 GLN H 1 10 GLN QG 2.912 . 3.972 2.388 1.815 3.113 0.037 19 0 "[ . 1 . 2]" 2
321 1 37 MET ME 1 40 GLU H 3.576 . 5.174 3.333 2.011 4.613 . 0 0 "[ . 1 . 2]" 2
322 1 30 GLU QG 1 31 GLY H 5.439 . 9.137 4.298 3.282 4.893 . 0 0 "[ . 1 . 2]" 2
323 1 77 ALA MB 1 80 GLU H 4.128 . 6.258 3.931 3.863 4.000 . 0 0 "[ . 1 . 2]" 2
324 1 78 ALA H 1 90 TYR HD2 4.796 . 7.671 4.324 3.840 4.758 . 0 0 "[ . 1 . 2]" 2
325 1 23 LEU H 1 23 LEU QD 3.854 . 5.711 3.314 2.130 4.058 . 0 0 "[ . 1 . 2]" 2
326 1 46 LEU HG 1 74 ALA H 4.107 . 6.215 4.188 4.086 4.458 . 0 0 "[ . 1 . 2]" 2
327 1 70 LEU QD 1 71 TYR H 4.717 . 7.498 4.127 3.954 4.258 . 0 0 "[ . 1 . 2]" 2
328 1 75 ALA H 1 77 ALA H 3.969 . 5.938 3.781 3.698 3.850 . 0 0 "[ . 1 . 2]" 2
329 1 76 GLU QG 1 77 ALA H 4.241 . 6.489 3.632 3.221 4.178 . 0 0 "[ . 1 . 2]" 2
330 1 51 GLU HA 1 70 LEU H 4.646 . 7.344 6.670 6.611 6.749 . 0 0 "[ . 1 . 2]" 2
331 1 95 GLU HA 1 99 ALA H 3.749 . 5.506 3.694 3.599 3.796 . 0 0 "[ . 1 . 2]" 2
332 1 48 ARG H 1 49 GLU HB3 4.399 . 6.818 4.477 4.317 4.664 . 0 0 "[ . 1 . 2]" 2
333 1 45 MET HA 1 49 GLU H 3.639 . 5.294 3.329 3.297 3.383 . 0 0 "[ . 1 . 2]" 2
334 1 51 GLU HB3 1 53 LEU H 3.732 . 5.473 2.975 2.776 3.145 . 0 0 "[ . 1 . 2]" 2
335 1 51 GLU QG 1 52 MET H 3.258 . 4.585 3.187 3.050 3.316 . 0 0 "[ . 1 . 2]" 2
336 1 51 GLU QG 1 53 LEU H 4.314 . 6.640 4.552 4.467 4.688 . 0 0 "[ . 1 . 2]" 2
337 1 92 GLN QB 1 94 ALA H 4.571 . 7.183 4.271 4.153 4.462 . 0 0 "[ . 1 . 2]" 2
338 1 72 THR H 1 73 GLN HE21 4.656 . 7.366 5.875 4.771 6.585 . 0 0 "[ . 1 . 2]" 2
339 1 46 LEU HB3 1 72 THR H 4.045 . 6.091 5.624 5.401 6.132 0.041 15 0 "[ . 1 . 2]" 2
340 1 12 TRP H 1 14 GLU H 2.833 . 3.836 3.953 3.701 4.162 0.326 16 0 "[ . 1 . 2]" 2
341 1 48 ARG HB3 1 50 ALA H 4.179 . 6.362 4.576 4.518 4.638 . 0 0 "[ . 1 . 2]" 2
342 1 50 ALA H 1 53 LEU QD 4.196 . 6.397 4.123 3.900 4.264 . 0 0 "[ . 1 . 2]" 2
343 1 16 LEU QD 1 88 ASN H 3.819 . 5.642 3.673 2.945 4.407 . 0 0 "[ . 1 . 2]" 2
344 1 45 MET H 1 47 ALA MB 5.218 . 8.621 4.480 4.331 4.603 . 0 0 "[ . 1 . 2]" 2
345 1 53 LEU HB3 1 66 ARG H 3.955 . 5.910 4.121 3.494 4.334 . 0 0 "[ . 1 . 2]" 2
346 1 75 ALA HA 1 91 TYR H 4.316 . 6.645 4.052 3.944 4.144 . 0 0 "[ . 1 . 2]" 2
347 1 21 THR MG 1 23 LEU H 4.360 . 6.737 4.216 3.291 4.855 . 0 0 "[ . 1 . 2]" 2
348 1 43 TYR H 1 47 ALA MB 4.621 . 7.290 4.915 4.770 5.058 . 0 0 "[ . 1 . 2]" 2
349 1 41 PRO QG 1 43 TYR H 4.229 . 6.465 3.636 2.469 4.693 . 0 0 "[ . 1 . 2]" 2
350 1 11 ASP QB 1 12 TRP H 2.800 . 3.780 2.355 1.983 2.871 . 0 0 "[ . 1 . 2]" 2
351 1 100 GLN HE22 1 100 GLN QG 3.513 . 5.055 3.466 3.296 3.494 . 0 0 "[ . 1 . 2]" 2
352 1 57 GLY H 1 60 LEU QD 4.591 . 7.226 4.324 3.579 5.155 . 0 0 "[ . 1 . 2]" 2
353 1 70 LEU H 1 73 GLN H 4.035 . 6.071 3.784 3.728 3.883 . 0 0 "[ . 1 . 2]" 2
354 1 72 THR H 1 91 TYR H 4.203 . 6.411 5.678 5.583 5.762 . 0 0 "[ . 1 . 2]" 2
355 1 95 GLU HB2 1 97 ALA H 4.367 . 6.751 3.785 3.421 4.490 . 0 0 "[ . 1 . 2]" 2
356 1 41 PRO QD 1 45 MET H 5.202 . 8.584 5.500 5.113 5.926 . 0 0 "[ . 1 . 2]" 2
357 1 45 MET HA 1 47 ALA H 3.430 . 4.901 3.369 3.334 3.394 . 0 0 "[ . 1 . 2]" 2
358 1 44 MET HB2 1 47 ALA H 4.443 . 6.910 4.370 4.224 4.509 . 0 0 "[ . 1 . 2]" 2
359 1 44 MET HB3 1 47 ALA H 4.720 . 7.505 4.314 4.210 4.414 . 0 0 "[ . 1 . 2]" 2
360 1 67 SER HA 1 71 TYR H 4.153 . 6.309 3.969 3.876 4.055 . 0 0 "[ . 1 . 2]" 2
361 1 81 ALA HA 1 84 GLY H 4.745 . 7.559 7.318 6.834 7.578 0.019 3 0 "[ . 1 . 2]" 2
362 1 83 LYS HB3 1 85 ARG H 5.031 . 8.195 3.713 3.552 3.848 . 0 0 "[ . 1 . 2]" 2
363 1 79 MET HA 1 87 ALA H 3.980 . 5.960 4.109 3.899 4.259 . 0 0 "[ . 1 . 2]" 2
364 1 84 GLY QA 1 87 ALA H 3.097 . 4.296 3.095 2.800 3.227 . 0 0 "[ . 1 . 2]" 2
365 1 84 GLY QA 1 88 ASN H 3.791 . 5.588 3.566 3.421 3.704 . 0 0 "[ . 1 . 2]" 2
366 1 75 ALA MB 1 92 GLN H 5.137 . 8.435 4.313 4.240 4.415 . 0 0 "[ . 1 . 2]" 2
367 1 21 THR MG 1 92 GLN H 5.276 . 8.756 5.041 2.899 5.723 . 0 0 "[ . 1 . 2]" 2
368 1 21 THR HA 1 23 LEU H 3.247 . 4.565 3.338 3.174 3.527 . 0 0 "[ . 1 . 2]" 2
369 1 15 ALA MB 1 17 HIS H 3.569 . 5.161 2.924 2.552 3.147 . 0 0 "[ . 1 . 2]" 2
370 1 22 ALA H 1 23 LEU HB2 4.384 . 6.787 4.598 3.832 5.789 . 0 0 "[ . 1 . 2]" 2
371 1 51 GLU HB3 1 52 MET H 3.453 . 4.944 2.255 2.160 2.398 . 0 0 "[ . 1 . 2]" 2
372 1 11 ASP QB 1 12 TRP HE1 5.593 . 9.504 4.893 2.641 6.325 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 7:49:09 PM GMT (wattos1)