NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502033 |
2l4s   |
17254 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4s
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 1742
_Distance_constraint_stats_list.Viol_count 4950
_Distance_constraint_stats_list.Viol_total 14361.248
_Distance_constraint_stats_list.Viol_max 2.205
_Distance_constraint_stats_list.Viol_rms 0.0929
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0206
_Distance_constraint_stats_list.Viol_average_violations_only 0.1451
_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 1 MET 0.073 0.038 15 0 "[ . 1 . 2]"
1 2 SER 0.073 0.038 15 0 "[ . 1 . 2]"
1 3 TYR 0.106 0.045 15 0 "[ . 1 . 2]"
1 4 ILE 4.166 0.378 6 0 "[ . 1 . 2]"
1 5 PRO 0.980 0.161 2 0 "[ . 1 . 2]"
1 6 GLY 0.104 0.100 13 0 "[ . 1 . 2]"
1 7 GLN 4.773 0.409 6 0 "[ . 1 . 2]"
1 8 PRO 10.989 0.409 6 0 "[ . 1 . 2]"
1 9 VAL 8.017 0.337 16 0 "[ . 1 . 2]"
1 10 THR 13.274 0.298 12 0 "[ . 1 . 2]"
1 11 ALA 17.918 0.534 20 1 "[ . 1 . +]"
1 12 VAL 5.545 0.261 4 0 "[ . 1 . 2]"
1 13 VAL 5.100 0.249 15 0 "[ . 1 . 2]"
1 14 GLN 31.509 0.848 7 15 "[-**** + ******.*** 2]"
1 15 ARG 31.905 1.623 12 20 [***********+****-***]
1 16 VAL 47.114 1.623 12 20 [-**********+********]
1 17 GLU 2.043 0.115 14 0 "[ . 1 . 2]"
1 18 ILE 14.456 0.309 9 0 "[ . 1 . 2]"
1 19 HIS 4.494 0.145 15 0 "[ . 1 . 2]"
1 20 LYS 11.265 0.300 9 0 "[ . 1 . 2]"
1 21 LEU 4.305 0.326 8 0 "[ . 1 . 2]"
1 22 ARG 11.452 0.959 5 8 "[*- *+ *** . *2]"
1 23 GLN 18.085 0.959 5 8 "[** *+ **- . *2]"
1 24 GLY 2.048 0.425 13 0 "[ . 1 . 2]"
1 25 GLU 4.710 0.425 13 0 "[ . 1 . 2]"
1 26 ASN 7.222 0.185 17 0 "[ . 1 . 2]"
1 27 LEU 31.476 1.619 2 20 [*+**********-*******]
1 28 ILE 32.919 1.619 2 20 [*+*******-**********]
1 29 LEU 5.147 0.477 19 0 "[ . 1 . 2]"
1 30 GLY 1.585 0.212 5 0 "[ . 1 . 2]"
1 31 PHE 37.884 1.955 17 20 [****************+-**]
1 32 SER 33.572 1.955 17 20 [****************+-**]
1 33 ILE 8.760 0.283 7 0 "[ . 1 . 2]"
1 34 GLY 4.669 0.606 19 3 "[ - 1 * . +2]"
1 35 GLY 6.848 0.172 5 0 "[ . 1 . 2]"
1 36 GLY 14.027 2.205 12 3 "[ * 1 + . *2]"
1 37 ILE 24.798 0.911 17 4 "[ - . * .*+ 2]"
1 38 ASP 11.319 0.592 10 3 "[ - . + . * 2]"
1 39 GLN 13.876 1.089 5 6 "[ + -* ** . * 2]"
1 40 ASP 5.952 0.919 13 5 "[ . ** + .- * 2]"
1 41 PRO 4.018 0.266 6 0 "[ . 1 . 2]"
1 42 SER 4.178 0.571 16 1 "[ . 1 .+ 2]"
1 43 GLN 7.673 0.590 13 2 "[- . 1 + . 2]"
1 44 ASN 18.025 0.769 17 6 "[ * . * 1* - . + *2]"
1 45 PRO 16.471 1.631 3 6 "[ + . *1 * . -**2]"
1 46 PHE 13.153 1.631 3 6 "[ + . *1 * . -**2]"
1 47 SER 14.725 0.769 17 6 "[ * . * 1* - . + *2]"
1 48 GLU 3.631 0.719 8 1 "[ . + 1 . 2]"
1 49 ASP 5.083 0.465 19 0 "[ . 1 . 2]"
1 50 LYS 11.538 0.387 16 0 "[ . 1 . 2]"
1 51 THR 6.155 0.387 16 0 "[ . 1 . 2]"
1 52 ASP 4.926 0.463 16 0 "[ . 1 . 2]"
1 53 LYS 4.196 0.237 10 0 "[ . 1 . 2]"
1 54 GLY 8.415 2.205 12 2 "[ . 1 + . -2]"
1 55 ILE 13.996 0.344 17 0 "[ . 1 . 2]"
1 56 TYR 19.834 0.936 13 1 "[ . 1 + . 2]"
1 57 VAL 18.930 0.936 13 1 "[ . 1 + . 2]"
1 58 THR 3.019 0.296 14 0 "[ . 1 . 2]"
1 59 ARG 14.532 0.296 14 0 "[ . 1 . 2]"
1 60 VAL 5.596 0.222 8 0 "[ . 1 . 2]"
1 61 SER 1.729 0.870 16 2 "[ . 1- .+ 2]"
1 62 GLU 4.575 0.870 16 2 "[ . 1- .+ 2]"
1 63 GLY 5.469 0.237 11 0 "[ . 1 . 2]"
1 64 GLY 12.381 0.942 19 4 "[ . 1 .**-+2]"
1 65 PRO 31.951 0.942 19 2 "[ . 1 .- +2]"
1 66 ALA 20.768 0.785 16 3 "[ . 1 .+** 2]"
1 67 GLU 5.901 0.426 12 0 "[ . 1 . 2]"
1 68 ILE 14.563 0.426 12 0 "[ . 1 . 2]"
1 69 ALA 9.339 0.375 8 0 "[ . 1 . 2]"
1 70 GLY 4.853 0.258 7 0 "[ . 1 . 2]"
1 71 LEU 6.046 0.429 5 0 "[ . 1 . 2]"
1 72 GLN 6.815 0.356 5 0 "[ . 1 . 2]"
1 73 ILE 14.032 0.612 12 1 "[ . 1 + . 2]"
1 74 GLY 7.506 0.388 13 0 "[ . 1 . 2]"
1 75 ASP 4.005 0.330 20 0 "[ . 1 . 2]"
1 76 LYS 7.425 0.365 13 0 "[ . 1 . 2]"
1 77 ILE 37.041 1.942 20 14 "[** *.****1** -** * +]"
1 78 MET 42.550 1.942 20 13 "[ ***. * -** *.****+]"
1 79 GLN 13.071 0.768 11 2 "[ . 1+ .- 2]"
1 80 VAL 8.613 0.357 17 0 "[ . 1 . 2]"
1 81 ASN 0.223 0.057 10 0 "[ . 1 . 2]"
1 82 GLY 4.648 0.230 9 0 "[ . 1 . 2]"
1 83 TRP 17.541 0.449 13 0 "[ . 1 . 2]"
1 84 ASP 6.314 0.310 15 0 "[ . 1 . 2]"
1 85 MET 34.807 1.548 2 14 "[*+ *.****1** **- * *]"
1 86 THR 13.064 0.532 11 1 "[ . 1+ . 2]"
1 87 MET 13.372 0.532 11 1 "[ . 1+ . 2]"
1 88 VAL 4.828 0.295 3 0 "[ . 1 . 2]"
1 89 THR 15.092 0.405 8 0 "[ . 1 . 2]"
1 90 HIS 17.075 0.911 17 7 "[ * - * * .*+ *2]"
1 91 ASP 8.713 0.456 19 0 "[ . 1 . 2]"
1 92 GLN 16.509 0.396 13 0 "[ . 1 . 2]"
1 93 ALA 5.303 0.195 1 0 "[ . 1 . 2]"
1 94 ARG 7.611 0.197 9 0 "[ . 1 . 2]"
1 95 LYS 13.293 0.219 5 0 "[ . 1 . 2]"
1 96 ARG 4.244 0.191 1 0 "[ . 1 . 2]"
1 97 LEU 2.861 0.243 17 0 "[ . 1 . 2]"
1 98 THR 10.600 0.981 16 2 "[ . 1 -+ 2]"
1 99 LYS 17.607 0.981 16 4 "[- . *1 *+ 2]"
1 100 ARG 7.004 0.561 1 1 "[+ . 1 . 2]"
1 101 SER 3.441 0.594 9 1 "[ . +1 . 2]"
1 102 GLU 4.251 0.683 9 3 "[* - +1 . 2]"
1 103 GLU 3.093 0.552 5 1 "[ + 1 . 2]"
1 104 VAL 5.749 0.279 6 0 "[ . 1 . 2]"
1 105 VAL 19.235 0.309 9 0 "[ . 1 . 2]"
1 106 ARG 17.069 0.271 14 0 "[ . 1 . 2]"
1 107 LEU 4.769 0.271 14 0 "[ . 1 . 2]"
1 108 LEU 29.789 0.970 17 13 "[ ***. * -** *.*+***]"
1 109 VAL 14.066 0.566 16 1 "[ . 1 .+ 2]"
1 110 THR 31.766 0.388 5 0 "[ . 1 . 2]"
1 111 ARG 6.261 0.772 19 3 "[ *. 1 - . +2]"
1 112 GLN 11.665 0.534 20 1 "[ . 1 . +]"
1 113 SER 12.162 0.772 19 2 "[ . - 1 . +2]"
1 114 LEU 11.419 0.859 15 4 "[ - . * 1 * + 2]"
1 115 GLN 8.119 0.859 15 3 "[ - . 1 * + 2]"
1 116 LYS 5.098 0.458 4 0 "[ . 1 . 2]"
1 117 ALA 4.618 0.458 4 0 "[ . 1 . 2]"
1 118 VAL 5.766 0.762 1 2 "[+- . 1 . 2]"
1 119 GLN 4.161 0.506 2 1 "[ + . 1 . 2]"
1 120 GLN 1.389 0.762 1 1 "[+ . 1 . 2]"
1 121 SER 0.190 0.179 18 0 "[ . 1 . 2]"
1 122 MET 0.175 0.066 5 0 "[ . 1 . 2]"
1 123 LEU 0.164 0.066 5 0 "[ . 1 . 2]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 40 ASP HB2 1 42 SER QB 4.820 . 4.820 4.530 2.964 5.391 0.571 16 1 "[ . 1 .+ 2]" 1
2 1 60 VAL QG 1 67 GLU HB2 4.310 . 4.310 2.381 1.867 2.912 . 0 0 "[ . 1 . 2]" 1
3 1 22 ARG HD3 1 23 GLN H 5.000 . 5.000 5.371 5.018 5.959 0.959 5 8 "[*- *+ *** . *2]" 1
4 1 49 ASP QB 1 51 THR HA 5.040 . 5.040 4.785 4.493 5.026 . 0 0 "[ . 1 . 2]" 1
5 1 67 GLU H 1 67 GLU HB2 . . 4.100 2.672 2.542 2.881 . 0 0 "[ . 1 . 2]" 1
6 1 63 GLY QA 1 68 ILE MD 4.970 . 4.970 3.330 2.759 3.913 . 0 0 "[ . 1 . 2]" 1
7 1 90 HIS HD2 1 94 ARG QD 4.780 . 4.780 4.308 3.761 4.768 . 0 0 "[ . 1 . 2]" 1
8 1 39 GLN QB 1 40 ASP HB2 4.310 . 4.310 4.087 3.318 5.229 0.919 13 4 "[ . -* + . * 2]" 1
9 1 50 LYS QD 1 51 THR MG 5.030 . 5.030 4.410 2.376 5.262 0.232 17 0 "[ . 1 . 2]" 1
10 1 15 ARG QD 1 16 VAL HA 5.030 . 5.030 4.536 3.284 5.268 0.238 4 0 "[ . 1 . 2]" 1
11 1 51 THR HA 1 52 ASP H 4.610 . 4.610 3.489 3.006 3.621 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR HA 1 4 ILE H 3.320 . 3.320 2.335 2.102 3.342 0.022 15 0 "[ . 1 . 2]" 1
13 1 3 TYR HB2 1 4 ILE H 4.980 . 4.980 3.900 2.180 4.449 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 4 ILE HB . . 3.920 3.587 2.575 3.955 0.035 19 0 "[ . 1 . 2]" 1
15 1 28 ILE HA 1 28 ILE MD 3.940 . 3.940 2.199 1.765 2.733 0.035 8 0 "[ . 1 . 2]" 1
16 1 33 ILE MG 1 94 ARG HG3 3.860 . 3.860 3.187 2.954 3.445 . 0 0 "[ . 1 . 2]" 1
17 1 3 TYR QE 1 5 PRO HA 4.570 . 4.570 3.237 2.214 4.499 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HA 1 5 PRO HD2 4.920 . 4.920 3.959 3.900 4.103 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO HA 1 6 GLY H 3.670 . 3.670 3.032 2.153 3.594 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HB3 1 8 PRO HD3 . . 3.970 3.828 3.029 4.030 0.060 12 0 "[ . 1 . 2]" 1
21 1 8 PRO HB2 1 8 PRO HD3 3.930 . 3.930 3.987 3.865 4.084 0.154 9 0 "[ . 1 . 2]" 1
22 1 4 ILE HA 1 5 PRO HD2 3.080 . 3.080 2.402 1.931 2.673 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HB 1 5 PRO HD2 4.570 . 4.570 4.057 3.160 4.612 0.042 16 0 "[ . 1 . 2]" 1
24 1 4 ILE MG 1 5 PRO HD2 3.900 . 3.900 3.610 2.303 4.061 0.161 2 0 "[ . 1 . 2]" 1
25 1 3 TYR QE 1 5 PRO HG3 5.040 . 5.040 3.142 2.195 5.026 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO HB3 1 5 PRO HG2 3.090 . 3.090 2.769 2.656 3.001 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO HD3 1 8 PRO HG3 . . 3.030 2.295 2.244 2.324 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLY HA2 1 7 GLN H 4.280 . 4.280 3.264 2.812 3.586 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLY HA2 1 7 GLN QG 5.050 . 5.050 4.392 3.681 5.150 0.100 13 0 "[ . 1 . 2]" 1
30 1 7 GLN HA 1 7 GLN QG 3.600 . 3.600 2.813 2.253 3.340 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLN HA 1 8 PRO HD2 3.090 . 3.090 2.790 2.543 3.214 0.124 11 0 "[ . 1 . 2]" 1
32 1 7 GLN HA 1 8 PRO HD3 . . 3.290 2.507 1.735 3.382 0.092 12 0 "[ . 1 . 2]" 1
33 1 7 GLN H 1 7 GLN HB3 4.290 . 4.290 3.757 3.108 4.121 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLN H 1 7 GLN HB2 4.100 . 4.100 3.694 3.475 3.918 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLN HB3 1 7 GLN QG 2.590 . 2.590 2.331 2.150 2.415 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLN H 1 7 GLN QG 4.040 . 4.040 2.642 2.239 3.273 . 0 0 "[ . 1 . 2]" 1
37 1 119 GLN HB3 1 119 GLN QG 2.570 . 2.570 2.312 2.150 2.383 . 0 0 "[ . 1 . 2]" 1
38 1 8 PRO HA 1 8 PRO HG3 3.700 . 3.700 3.497 2.969 4.064 0.364 6 0 "[ . 1 . 2]" 1
39 1 8 PRO HA 1 9 VAL H 2.840 . 2.840 2.482 2.142 3.016 0.176 9 0 "[ . 1 . 2]" 1
40 1 8 PRO HA 1 9 VAL QG 4.130 . 4.130 3.773 3.272 4.198 0.068 9 0 "[ . 1 . 2]" 1
41 1 8 PRO HB3 1 8 PRO HD2 . . 4.200 3.913 3.860 4.002 . 0 0 "[ . 1 . 2]" 1
42 1 8 PRO HB3 1 9 VAL H 4.310 . 4.310 3.407 2.381 4.583 0.273 9 0 "[ . 1 . 2]" 1
43 1 8 PRO HB3 1 9 VAL QG 4.900 . 4.900 3.949 3.202 4.560 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL HA 1 10 THR H 3.720 . 3.720 3.311 2.107 3.580 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL H 1 9 VAL HB . . 3.590 3.413 2.621 3.709 0.119 18 0 "[ . 1 . 2]" 1
46 1 9 VAL H 1 9 VAL QG . . 3.400 2.434 1.836 2.963 . 0 0 "[ . 1 . 2]" 1
47 1 10 THR HA 1 10 THR MG 2.960 . 2.960 2.582 2.190 3.173 0.213 14 0 "[ . 1 . 2]" 1
48 1 9 VAL QG 1 10 THR HB 4.540 . 4.540 4.398 3.347 4.824 0.284 6 0 "[ . 1 . 2]" 1
49 1 10 THR H 1 10 THR HB . . 3.320 3.013 2.511 3.559 0.239 13 0 "[ . 1 . 2]" 1
50 1 10 THR HB 1 11 ALA H 4.060 . 4.060 4.233 4.045 4.358 0.298 12 0 "[ . 1 . 2]" 1
51 1 10 THR H 1 10 THR MG 3.990 . 3.990 2.615 1.780 3.766 0.020 9 0 "[ . 1 . 2]" 1
52 1 10 THR MG 1 11 ALA H 3.930 . 3.930 3.983 3.636 4.149 0.219 9 0 "[ . 1 . 2]" 1
53 1 11 ALA HA 1 12 VAL H 3.100 . 3.100 2.503 2.167 2.621 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA HA 1 12 VAL QG 4.190 . 4.190 3.234 3.117 3.494 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA H 1 11 ALA MB 3.030 . 3.030 2.271 2.201 2.375 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA MB 1 12 VAL H 3.230 . 3.230 2.177 2.000 2.935 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 12 VAL HA 4.110 . 4.110 4.093 3.958 4.229 0.119 8 0 "[ . 1 . 2]" 1
58 1 12 VAL HA 1 13 VAL H . . 3.300 2.192 2.122 2.448 . 0 0 "[ . 1 . 2]" 1
59 1 12 VAL H 1 12 VAL QG . . 3.420 2.268 1.974 2.686 . 0 0 "[ . 1 . 2]" 1
60 1 12 VAL QG 1 13 VAL H 3.940 . 3.940 3.061 2.184 3.545 . 0 0 "[ . 1 . 2]" 1
61 1 13 VAL H 1 13 VAL HB . . 3.880 2.746 2.454 3.738 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL QG 1 14 GLN H 3.720 . 3.720 3.029 2.775 3.491 . 0 0 "[ . 1 . 2]" 1
63 1 13 VAL QG 1 14 GLN HA 4.850 . 4.850 3.769 3.413 3.970 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 13 VAL QG . . 3.410 2.096 1.799 2.552 0.001 11 0 "[ . 1 . 2]" 1
65 1 14 GLN HA 1 15 ARG H 3.120 . 3.120 2.477 2.299 2.566 . 0 0 "[ . 1 . 2]" 1
66 1 14 GLN H 1 14 GLN HB3 4.270 . 4.270 2.844 2.162 3.056 . 0 0 "[ . 1 . 2]" 1
67 1 14 GLN H 1 14 GLN HB2 4.270 . 4.270 3.680 2.938 3.828 . 0 0 "[ . 1 . 2]" 1
68 1 14 GLN H 1 14 GLN QG 4.360 . 4.360 2.350 1.894 3.948 . 0 0 "[ . 1 . 2]" 1
69 1 14 GLN QG 1 15 ARG H . . 4.480 3.686 2.403 4.024 . 0 0 "[ . 1 . 2]" 1
70 1 15 ARG HA 1 15 ARG QD . . 4.360 2.608 1.839 3.914 . 0 0 "[ . 1 . 2]" 1
71 1 15 ARG HA 1 16 VAL H 3.440 . 3.440 2.156 2.076 2.258 . 0 0 "[ . 1 . 2]" 1
72 1 15 ARG H 1 15 ARG QB . . 3.640 2.587 2.341 3.228 . 0 0 "[ . 1 . 2]" 1
73 1 14 GLN QE 1 15 ARG QD 4.950 . 4.950 4.500 4.147 4.919 . 0 0 "[ . 1 . 2]" 1
74 1 15 ARG H 1 15 ARG QD 4.320 . 4.320 3.965 1.712 4.490 0.170 16 0 "[ . 1 . 2]" 1
75 1 15 ARG H 1 15 ARG HG2 4.150 . 4.150 3.863 3.210 4.479 0.329 6 0 "[ . 1 . 2]" 1
76 1 15 ARG HA 1 15 ARG HG2 4.090 . 4.090 2.901 2.211 4.184 0.094 20 0 "[ . 1 . 2]" 1
77 1 15 ARG HA 1 15 ARG HG3 4.090 . 4.090 3.554 3.073 3.694 . 0 0 "[ . 1 . 2]" 1
78 1 15 ARG QB 1 16 VAL HA 4.650 . 4.650 4.247 3.845 4.557 . 0 0 "[ . 1 . 2]" 1
79 1 16 VAL HA 1 17 GLU H 3.240 . 3.240 2.169 2.089 2.299 . 0 0 "[ . 1 . 2]" 1
80 1 16 VAL H 1 16 VAL HB . . 3.900 2.547 2.228 3.883 . 0 0 "[ . 1 . 2]" 1
81 1 108 LEU HA 1 109 VAL QG 5.300 . 5.300 4.154 3.399 4.367 . 0 0 "[ . 1 . 2]" 1
82 1 16 VAL H 1 16 VAL QG . . 3.900 2.779 2.254 3.021 . 0 0 "[ . 1 . 2]" 1
83 1 16 VAL QG 1 17 GLU H . . 3.790 2.804 2.583 3.207 . 0 0 "[ . 1 . 2]" 1
84 1 16 VAL QG 1 17 GLU HA 4.190 . 4.190 3.255 2.896 3.559 . 0 0 "[ . 1 . 2]" 1
85 1 17 GLU HA 1 18 ILE H 3.500 . 3.500 2.176 2.148 2.222 . 0 0 "[ . 1 . 2]" 1
86 1 17 GLU HA 1 18 ILE HA 5.000 . 5.000 4.364 4.338 4.390 . 0 0 "[ . 1 . 2]" 1
87 1 16 VAL HA 1 17 GLU QB 4.280 . 4.280 4.060 3.798 4.179 . 0 0 "[ . 1 . 2]" 1
88 1 17 GLU H 1 17 GLU QB . . 3.680 2.595 2.380 2.702 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLU QB 1 18 ILE H 4.400 . 4.400 3.867 3.777 3.923 . 0 0 "[ . 1 . 2]" 1
90 1 17 GLU H 1 17 GLU HG2 4.650 . 4.650 4.416 4.197 4.662 0.012 1 0 "[ . 1 . 2]" 1
91 1 17 GLU H 1 17 GLU HG3 4.870 . 4.870 4.713 4.603 4.788 . 0 0 "[ . 1 . 2]" 1
92 1 17 GLU HA 1 17 GLU HG2 4.310 . 4.310 3.304 2.833 3.568 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLU HG2 1 18 ILE H 4.590 . 4.590 3.603 3.013 4.211 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLU HG3 1 18 ILE H 4.590 . 4.590 3.263 2.978 3.904 . 0 0 "[ . 1 . 2]" 1
95 1 18 ILE HA 1 18 ILE QG 3.960 . 3.960 2.672 2.336 2.829 . 0 0 "[ . 1 . 2]" 1
96 1 18 ILE HA 1 19 HIS H . . 3.600 2.277 2.158 2.476 . 0 0 "[ . 1 . 2]" 1
97 1 18 ILE H 1 18 ILE HB . . 3.930 3.163 2.932 3.256 . 0 0 "[ . 1 . 2]" 1
98 1 18 ILE MD 1 19 HIS H 4.590 . 4.590 2.369 1.679 2.745 0.121 15 0 "[ . 1 . 2]" 1
99 1 18 ILE H 1 18 ILE MG 3.970 . 3.970 2.521 2.408 2.740 . 0 0 "[ . 1 . 2]" 1
100 1 18 ILE HA 1 19 HIS HB2 4.760 . 4.760 4.558 4.456 4.628 . 0 0 "[ . 1 . 2]" 1
101 1 18 ILE MG 1 19 HIS HB2 5.100 . 5.100 4.947 4.680 5.136 0.036 16 0 "[ . 1 . 2]" 1
102 1 19 HIS H 1 19 HIS HB3 . . 3.820 3.582 3.542 3.622 . 0 0 "[ . 1 . 2]" 1
103 1 19 HIS H 1 19 HIS HB2 . . 3.930 2.340 2.249 2.385 . 0 0 "[ . 1 . 2]" 1
104 1 19 HIS HB3 1 20 LYS H . . 4.610 3.619 3.563 3.708 . 0 0 "[ . 1 . 2]" 1
105 1 19 HIS HB2 1 20 LYS H 5.000 . 5.000 4.420 4.375 4.467 . 0 0 "[ . 1 . 2]" 1
106 1 20 LYS HA 1 20 LYS QG 3.610 . 3.610 3.229 2.493 3.510 . 0 0 "[ . 1 . 2]" 1
107 1 20 LYS HA 1 21 LEU H 3.970 . 3.970 2.261 2.204 2.313 . 0 0 "[ . 1 . 2]" 1
108 1 20 LYS H 1 20 LYS QG . . 3.950 3.103 2.358 4.044 0.094 8 0 "[ . 1 . 2]" 1
109 1 21 LEU HA 1 22 ARG QB 4.550 . 4.550 4.405 4.281 4.488 . 0 0 "[ . 1 . 2]" 1
110 1 22 ARG H 1 22 ARG QB . . 3.740 2.466 2.246 2.686 . 0 0 "[ . 1 . 2]" 1
111 1 22 ARG QB 1 23 GLN H 5.410 . 5.410 2.964 2.842 3.114 . 0 0 "[ . 1 . 2]" 1
112 1 59 ARG QD 1 59 ARG HG3 2.700 . 2.700 2.314 2.161 2.416 . 0 0 "[ . 1 . 2]" 1
113 1 22 ARG H 1 22 ARG QG . . 3.800 2.464 2.101 3.203 . 0 0 "[ . 1 . 2]" 1
114 1 22 ARG QG 1 23 GLN H 3.970 . 3.970 3.922 3.679 4.069 0.099 17 0 "[ . 1 . 2]" 1
115 1 23 GLN H 1 23 GLN HB3 4.210 . 4.210 3.066 2.819 3.891 . 0 0 "[ . 1 . 2]" 1
116 1 103 GLU QB 1 104 VAL H 4.540 . 4.540 3.498 2.510 3.775 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLN H 1 23 GLN QG 4.050 . 4.050 3.930 2.018 4.263 0.213 1 0 "[ . 1 . 2]" 1
118 1 23 GLN HA 1 23 GLN QG 3.410 . 3.410 2.584 2.202 3.134 . 0 0 "[ . 1 . 2]" 1
119 1 23 GLN HA 1 24 GLY HA3 5.060 . 5.060 4.392 4.343 4.419 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLN HA 1 24 GLY HA2 4.930 . 4.930 4.464 4.427 4.492 . 0 0 "[ . 1 . 2]" 1
121 1 24 GLY HA3 1 25 GLU H 4.090 . 4.090 2.317 2.222 2.479 . 0 0 "[ . 1 . 2]" 1
122 1 24 GLY HA2 1 25 GLU H 4.160 . 4.160 3.504 3.460 3.539 . 0 0 "[ . 1 . 2]" 1
123 1 24 GLY HA3 1 25 GLU HB2 5.130 . 5.130 4.556 4.340 5.555 0.425 13 0 "[ . 1 . 2]" 1
124 1 25 GLU HA 1 25 GLU HB3 3.040 . 3.040 2.441 2.339 2.506 . 0 0 "[ . 1 . 2]" 1
125 1 25 GLU HA 1 26 ASN H 3.980 . 3.980 3.171 3.064 3.359 . 0 0 "[ . 1 . 2]" 1
126 1 25 GLU HB3 1 26 ASN H 4.570 . 4.570 4.350 4.232 4.463 . 0 0 "[ . 1 . 2]" 1
127 1 25 GLU HB2 1 26 ASN H . . 4.410 3.678 3.234 4.225 . 0 0 "[ . 1 . 2]" 1
128 1 25 GLU H 1 25 GLU QG . . 4.240 2.817 2.004 3.170 . 0 0 "[ . 1 . 2]" 1
129 1 25 GLU HA 1 25 GLU QG 3.610 . 3.610 2.552 2.414 3.265 . 0 0 "[ . 1 . 2]" 1
130 1 48 GLU HG2 1 49 ASP H 4.830 . 4.830 4.510 3.990 5.295 0.465 19 0 "[ . 1 . 2]" 1
131 1 26 ASN H 1 26 ASN HB2 . . 3.680 2.880 2.583 3.742 0.062 6 0 "[ . 1 . 2]" 1
132 1 26 ASN HB2 1 27 LEU H . . 5.000 3.195 1.929 4.186 . 0 0 "[ . 1 . 2]" 1
133 1 26 ASN HB2 1 28 ILE MD 4.620 . 4.620 2.912 2.503 3.307 . 0 0 "[ . 1 . 2]" 1
134 1 26 ASN HB3 1 28 ILE MD 4.440 . 4.440 3.429 2.589 4.538 0.098 10 0 "[ . 1 . 2]" 1
135 1 28 ILE HA 1 28 ILE MG . . 3.720 2.645 2.377 2.899 . 0 0 "[ . 1 . 2]" 1
136 1 28 ILE HA 1 29 LEU H 4.120 . 4.120 2.117 2.060 2.243 . 0 0 "[ . 1 . 2]" 1
137 1 28 ILE H 1 28 ILE HB . . 4.280 2.369 2.225 2.548 . 0 0 "[ . 1 . 2]" 1
138 1 68 ILE H 1 68 ILE MD . . 4.150 1.943 1.771 2.066 0.029 19 0 "[ . 1 . 2]" 1
139 1 65 PRO HA 1 68 ILE MD . . 3.730 2.456 1.763 2.860 0.037 12 0 "[ . 1 . 2]" 1
140 1 28 ILE H 1 28 ILE MG . . 4.440 3.612 3.333 3.797 . 0 0 "[ . 1 . 2]" 1
141 1 28 ILE MG 1 29 LEU H 4.310 . 4.310 2.726 2.408 3.109 . 0 0 "[ . 1 . 2]" 1
142 1 28 ILE MG 1 30 GLY H 4.090 . 4.090 2.696 2.074 3.805 . 0 0 "[ . 1 . 2]" 1
143 1 28 ILE MG 1 30 GLY HA2 4.720 . 4.720 2.907 2.238 3.266 . 0 0 "[ . 1 . 2]" 1
144 1 28 ILE MG 1 65 PRO HD2 . . 4.370 3.220 2.394 4.058 . 0 0 "[ . 1 . 2]" 1
145 1 28 ILE MG 1 65 PRO HD3 . . 4.380 3.019 2.149 4.022 . 0 0 "[ . 1 . 2]" 1
146 1 28 ILE MG 1 30 GLY HA3 4.630 . 4.630 3.538 3.046 3.955 . 0 0 "[ . 1 . 2]" 1
147 1 32 SER QB 1 33 ILE H 3.870 . 3.870 3.046 2.722 3.273 . 0 0 "[ . 1 . 2]" 1
148 1 32 SER QB 1 33 ILE MG 4.590 . 4.590 4.215 4.086 4.348 . 0 0 "[ . 1 . 2]" 1
149 1 32 SER QB 1 59 ARG H . . 4.790 3.472 2.729 4.206 . 0 0 "[ . 1 . 2]" 1
150 1 32 SER QB 1 59 ARG HA . . 4.910 4.164 3.893 4.455 . 0 0 "[ . 1 . 2]" 1
151 1 32 SER QB 1 59 ARG HB3 . . 3.990 3.169 2.895 3.454 . 0 0 "[ . 1 . 2]" 1
152 1 32 SER QB 1 59 ARG QD . . 4.420 2.516 2.056 3.331 . 0 0 "[ . 1 . 2]" 1
153 1 33 ILE HB 1 34 GLY H . . 4.680 4.092 3.957 4.184 . 0 0 "[ . 1 . 2]" 1
154 1 33 ILE MD 1 90 HIS HD2 4.860 . 4.860 2.551 2.378 2.699 . 0 0 "[ . 1 . 2]" 1
155 1 33 ILE H 1 33 ILE MD . . 4.840 4.657 4.555 4.757 . 0 0 "[ . 1 . 2]" 1
156 1 33 ILE MD 1 33 ILE MG 3.230 . 3.230 1.913 1.867 1.984 . 0 0 "[ . 1 . 2]" 1
157 1 33 ILE MD 1 90 HIS HA 4.970 . 4.970 4.215 3.947 4.383 . 0 0 "[ . 1 . 2]" 1
158 1 33 ILE MD 1 90 HIS HE1 . . 4.880 4.889 4.524 5.008 0.128 1 0 "[ . 1 . 2]" 1
159 1 33 ILE MD 1 94 ARG HG3 3.630 . 3.630 3.233 3.123 3.307 . 0 0 "[ . 1 . 2]" 1
160 1 33 ILE MD 1 94 ARG HA . . 4.250 3.007 2.633 3.260 . 0 0 "[ . 1 . 2]" 1
161 1 33 ILE MD 1 94 ARG HG2 . . 4.480 4.587 4.511 4.677 0.197 9 0 "[ . 1 . 2]" 1
162 1 33 ILE QG 1 34 GLY HA3 4.810 . 4.810 3.767 3.594 4.239 . 0 0 "[ . 1 . 2]" 1
163 1 33 ILE H 1 33 ILE MG . . 3.890 2.235 2.078 2.315 . 0 0 "[ . 1 . 2]" 1
164 1 33 ILE MG 1 34 GLY H . . 4.320 4.183 4.003 4.245 . 0 0 "[ . 1 . 2]" 1
165 1 33 ILE MG 1 90 HIS HD2 3.670 . 3.670 3.847 3.730 3.953 0.283 7 0 "[ . 1 . 2]" 1
166 1 34 GLY HA2 1 35 GLY H 3.120 . 3.120 2.157 2.055 2.656 . 0 0 "[ . 1 . 2]" 1
167 1 34 GLY HA2 1 90 HIS HE1 . . 4.790 3.290 3.233 3.341 . 0 0 "[ . 1 . 2]" 1
168 1 35 GLY QA 1 36 GLY H . . 4.010 2.160 2.041 2.203 . 0 0 "[ . 1 . 2]" 1
169 1 36 GLY QA 1 37 ILE H 4.310 . 4.310 2.238 2.108 2.474 . 0 0 "[ . 1 . 2]" 1
170 1 36 GLY QA 1 37 ILE HG12 5.110 . 5.110 3.588 3.413 3.852 . 0 0 "[ . 1 . 2]" 1
171 1 36 GLY QA 1 55 ILE MD 4.490 . 4.490 2.471 1.790 3.235 0.010 19 0 "[ . 1 . 2]" 1
172 1 37 ILE MD 1 89 THR H 4.240 . 4.240 2.879 2.480 3.321 . 0 0 "[ . 1 . 2]" 1
173 1 37 ILE HB 1 37 ILE MD 3.730 . 3.730 2.408 2.266 2.548 . 0 0 "[ . 1 . 2]" 1
174 1 37 ILE MD 1 38 ASP H 5.060 . 5.060 4.000 3.627 4.528 . 0 0 "[ . 1 . 2]" 1
175 1 37 ILE MD 1 38 ASP HA 4.700 . 4.700 4.766 4.531 4.920 0.220 15 0 "[ . 1 . 2]" 1
176 1 37 ILE MD 1 88 VAL HA 5.010 . 5.010 2.212 1.788 2.631 0.012 2 0 "[ . 1 . 2]" 1
177 1 37 ILE MD 1 89 THR MG . . 3.100 2.640 2.303 2.893 . 0 0 "[ . 1 . 2]" 1
178 1 37 ILE H 1 37 ILE HG13 . . 4.480 2.816 1.989 3.436 . 0 0 "[ . 1 . 2]" 1
179 1 37 ILE H 1 37 ILE HG12 . . 3.920 1.895 1.729 2.221 0.071 12 0 "[ . 1 . 2]" 1
180 1 37 ILE MG 1 89 THR HA 5.070 . 5.070 4.756 4.337 5.095 0.025 10 0 "[ . 1 . 2]" 1
181 1 37 ILE H 1 37 ILE MG 3.850 . 3.850 2.452 1.785 2.833 0.015 19 0 "[ . 1 . 2]" 1
182 1 37 ILE MD 1 37 ILE MG 3.430 . 3.430 2.000 1.840 2.272 . 0 0 "[ . 1 . 2]" 1
183 1 37 ILE MG 1 38 ASP H 5.020 . 5.020 4.055 3.919 4.251 . 0 0 "[ . 1 . 2]" 1
184 1 37 ILE MG 1 87 MET HA . . 3.820 2.328 1.796 3.104 0.004 6 0 "[ . 1 . 2]" 1
185 1 37 ILE MG 1 87 MET HG2 4.970 . 4.970 4.118 3.633 4.568 . 0 0 "[ . 1 . 2]" 1
186 1 37 ILE MG 1 87 MET HG3 . . 4.660 4.364 4.074 4.634 . 0 0 "[ . 1 . 2]" 1
187 1 37 ILE MG 1 88 VAL H 4.310 . 4.310 3.480 2.901 4.420 0.110 2 0 "[ . 1 . 2]" 1
188 1 37 ILE HG12 1 38 ASP HB3 5.010 . 5.010 4.932 4.380 5.602 0.592 10 3 "[ - . + . * 2]" 1
189 1 38 ASP HB2 1 89 THR MG . . 4.120 2.160 1.905 3.128 . 0 0 "[ . 1 . 2]" 1
190 1 38 ASP HB3 1 89 THR MG . . 3.900 3.104 2.039 3.647 . 0 0 "[ . 1 . 2]" 1
191 1 39 GLN HA 1 39 GLN HE21 4.800 . 4.800 2.647 2.273 4.192 . 0 0 "[ . 1 . 2]" 1
192 1 39 GLN HA 1 39 GLN QG 3.590 . 3.590 2.837 2.156 3.003 . 0 0 "[ . 1 . 2]" 1
193 1 39 GLN HA 1 40 ASP H . . 3.960 3.477 2.756 3.609 . 0 0 "[ . 1 . 2]" 1
194 1 39 GLN H 1 39 GLN QB . . 3.890 2.445 2.290 2.609 . 0 0 "[ . 1 . 2]" 1
195 1 39 GLN H 1 39 GLN QG . . 3.680 2.282 2.097 2.705 . 0 0 "[ . 1 . 2]" 1
196 1 39 GLN QG 1 90 HIS HB3 4.870 . 4.870 3.585 3.398 3.782 . 0 0 "[ . 1 . 2]" 1
197 1 84 ASP H 1 84 ASP QB . . 3.510 2.439 2.197 2.882 . 0 0 "[ . 1 . 2]" 1
198 1 40 ASP H 1 40 ASP HB2 . . 4.210 3.332 2.470 4.135 . 0 0 "[ . 1 . 2]" 1
199 1 41 PRO HA 1 41 PRO HD3 4.400 . 4.400 3.949 3.717 4.045 . 0 0 "[ . 1 . 2]" 1
200 1 41 PRO HA 1 42 SER H 4.120 . 4.120 3.263 3.028 3.497 . 0 0 "[ . 1 . 2]" 1
201 1 41 PRO HB3 1 41 PRO HD3 4.190 . 4.190 3.932 3.072 4.077 . 0 0 "[ . 1 . 2]" 1
202 1 41 PRO HB2 1 42 SER H 3.970 . 3.970 3.689 2.691 4.057 0.087 14 0 "[ . 1 . 2]" 1
203 1 40 ASP HA 1 41 PRO HD3 3.840 . 3.840 1.922 1.739 2.268 0.061 13 0 "[ . 1 . 2]" 1
204 1 40 ASP HA 1 41 PRO HD2 3.790 . 3.790 2.583 2.121 2.764 . 0 0 "[ . 1 . 2]" 1
205 1 40 ASP HB3 1 41 PRO HD3 5.030 . 5.030 4.494 4.027 4.931 . 0 0 "[ . 1 . 2]" 1
206 1 40 ASP HB3 1 41 PRO HD2 5.050 . 5.050 4.685 3.688 5.217 0.167 8 0 "[ . 1 . 2]" 1
207 1 40 ASP HB2 1 41 PRO HD3 4.900 . 4.900 4.353 3.674 4.787 . 0 0 "[ . 1 . 2]" 1
208 1 41 PRO HD3 1 42 SER H 4.920 . 4.920 3.753 3.292 4.132 . 0 0 "[ . 1 . 2]" 1
209 1 41 PRO HD2 1 42 SER H 4.900 . 4.900 2.691 1.939 3.373 . 0 0 "[ . 1 . 2]" 1
210 1 40 ASP HA 1 41 PRO HG3 4.850 . 4.850 4.085 3.870 4.423 . 0 0 "[ . 1 . 2]" 1
211 1 40 ASP HA 1 41 PRO HG2 4.920 . 4.920 4.404 4.294 4.567 . 0 0 "[ . 1 . 2]" 1
212 1 41 PRO HG2 1 42 SER H 5.030 . 5.030 4.353 2.980 5.039 0.009 13 0 "[ . 1 . 2]" 1
213 1 4 ILE HA 1 5 PRO HG3 4.510 . 4.510 4.216 3.975 4.668 0.158 12 0 "[ . 1 . 2]" 1
214 1 42 SER HA 1 43 GLN H 4.380 . 4.380 3.249 2.916 3.626 . 0 0 "[ . 1 . 2]" 1
215 1 42 SER H 1 42 SER QB . . 3.530 2.344 2.179 2.652 . 0 0 "[ . 1 . 2]" 1
216 1 42 SER QB 1 43 GLN H 4.370 . 4.370 3.290 2.266 3.842 . 0 0 "[ . 1 . 2]" 1
217 1 43 GLN HA 1 43 GLN QG 3.160 . 3.160 2.650 2.242 3.320 0.160 2 0 "[ . 1 . 2]" 1
218 1 43 GLN HA 1 44 ASN H . . 4.080 2.856 2.322 3.539 . 0 0 "[ . 1 . 2]" 1
219 1 43 GLN H 1 43 GLN HB3 4.310 . 4.310 3.677 3.040 3.901 . 0 0 "[ . 1 . 2]" 1
220 1 43 GLN H 1 43 GLN HB2 . . 3.830 2.783 2.279 3.802 . 0 0 "[ . 1 . 2]" 1
221 1 42 SER QB 1 43 GLN QG 4.130 . 4.130 3.523 2.186 4.229 0.099 20 0 "[ . 1 . 2]" 1
222 1 44 ASN H 1 44 ASN HB3 . . 3.920 3.440 2.648 3.852 . 0 0 "[ . 1 . 2]" 1
223 1 44 ASN H 1 44 ASN HB2 . . 3.900 3.487 2.539 3.988 0.088 13 0 "[ . 1 . 2]" 1
224 1 45 PRO HA 1 46 PHE H 4.450 . 4.450 3.291 2.934 3.523 . 0 0 "[ . 1 . 2]" 1
225 1 44 ASN H 1 45 PRO HB3 4.900 . 4.900 4.489 3.842 5.298 0.398 12 0 "[ . 1 . 2]" 1
226 1 45 PRO HB3 1 46 PHE H 5.030 . 5.030 4.417 4.055 4.621 . 0 0 "[ . 1 . 2]" 1
227 1 44 ASN H 1 45 PRO QD . . 4.710 1.955 1.644 2.690 0.156 6 0 "[ . 1 . 2]" 1
228 1 44 ASN HB3 1 45 PRO QD 5.170 . 5.170 3.858 1.857 4.483 . 0 0 "[ . 1 . 2]" 1
229 1 45 PRO QD 1 46 PHE H . . 4.660 2.740 1.945 3.522 . 0 0 "[ . 1 . 2]" 1
230 1 45 PRO QD 1 46 PHE QR 4.830 . 4.830 4.453 2.107 5.987 1.157 3 5 "[ + . 1 * . -**2]" 1
231 1 44 ASN H 1 45 PRO QG . . 4.590 3.363 2.862 4.065 . 0 0 "[ . 1 . 2]" 1
232 1 45 PRO QG 1 46 PHE H . . 4.990 3.601 2.459 4.443 . 0 0 "[ . 1 . 2]" 1
233 1 45 PRO QG 1 46 PHE QR . . 4.950 4.348 2.288 6.581 1.631 3 4 "[ + . -1 . ** 2]" 1
234 1 46 PHE H 1 47 SER HA 4.470 . 4.470 4.099 3.626 4.605 0.135 16 0 "[ . 1 . 2]" 1
235 1 47 SER HA 1 52 ASP QB 4.820 . 4.820 3.507 1.685 4.891 0.115 17 0 "[ . 1 . 2]" 1
236 1 47 SER HA 1 48 GLU H 3.530 . 3.530 2.318 2.023 2.610 . 0 0 "[ . 1 . 2]" 1
237 1 49 ASP QB 1 50 LYS HA 4.750 . 4.750 4.301 3.875 4.590 . 0 0 "[ . 1 . 2]" 1
238 1 44 ASN HB3 1 47 SER QB 5.010 . 5.010 4.646 2.469 5.779 0.769 17 5 "[ * . 1* - . + *2]" 1
239 1 47 SER QB 1 52 ASP QB 4.260 . 4.260 2.887 1.977 3.935 . 0 0 "[ . 1 . 2]" 1
240 1 46 PHE H 1 47 SER QB 5.120 . 5.120 4.056 3.208 4.859 . 0 0 "[ . 1 . 2]" 1
241 1 47 SER QB 1 48 GLU H 4.560 . 4.560 2.710 1.762 3.706 0.038 10 0 "[ . 1 . 2]" 1
242 1 47 SER QB 1 49 ASP H 4.430 . 4.430 3.407 2.610 4.112 . 0 0 "[ . 1 . 2]" 1
243 1 48 GLU HA 1 49 ASP H 4.120 . 4.120 3.486 3.378 3.632 . 0 0 "[ . 1 . 2]" 1
244 1 95 LYS QE 1 99 LYS HA 4.830 . 4.830 4.048 2.548 4.948 0.118 9 0 "[ . 1 . 2]" 1
245 1 48 GLU QB 1 49 ASP H 4.350 . 4.350 2.535 1.939 3.069 . 0 0 "[ . 1 . 2]" 1
246 1 48 GLU H 1 48 GLU HG3 4.560 . 4.560 3.989 1.869 4.620 0.060 2 0 "[ . 1 . 2]" 1
247 1 48 GLU H 1 48 GLU HG2 4.440 . 4.440 3.822 1.977 4.481 0.041 14 0 "[ . 1 . 2]" 1
248 1 62 GLU HA 1 62 GLU HG2 . . 3.660 2.690 2.447 3.707 0.047 16 0 "[ . 1 . 2]" 1
249 1 48 GLU HA 1 48 GLU HG2 3.760 . 3.760 2.999 2.282 3.638 . 0 0 "[ . 1 . 2]" 1
250 1 49 ASP QB 1 50 LYS H 4.820 . 4.820 2.073 1.584 2.687 0.216 4 0 "[ . 1 . 2]" 1
251 1 49 ASP QB 1 51 THR H 4.120 . 4.120 2.379 2.085 3.305 . 0 0 "[ . 1 . 2]" 1
252 1 51 THR H 1 51 THR HB . . 4.340 2.932 2.502 3.597 . 0 0 "[ . 1 . 2]" 1
253 1 51 THR HB 1 51 THR MG . . 2.610 2.129 2.118 2.135 . 0 0 "[ . 1 . 2]" 1
254 1 51 THR H 1 51 THR MG 3.510 . 3.510 2.295 1.763 3.687 0.177 15 0 "[ . 1 . 2]" 1
255 1 51 THR MG 1 52 ASP H 4.230 . 4.230 2.552 1.765 4.399 0.169 7 0 "[ . 1 . 2]" 1
256 1 52 ASP HA 1 53 LYS H 3.280 . 3.280 3.057 2.554 3.458 0.178 3 0 "[ . 1 . 2]" 1
257 1 49 ASP H 1 52 ASP QB . . 4.940 3.381 1.953 4.238 . 0 0 "[ . 1 . 2]" 1
258 1 52 ASP H 1 52 ASP QB . . 3.840 2.584 2.145 3.308 . 0 0 "[ . 1 . 2]" 1
259 1 52 ASP QB 1 53 LYS H . . 4.880 2.194 1.616 3.769 0.184 18 0 "[ . 1 . 2]" 1
260 1 52 ASP QB 1 53 LYS QB 4.680 . 4.680 4.214 3.500 4.809 0.129 17 0 "[ . 1 . 2]" 1
261 1 54 GLY HA2 1 55 ILE H . . 4.350 2.975 2.510 3.235 . 0 0 "[ . 1 . 2]" 1
262 1 54 GLY HA3 1 55 ILE H . . 4.480 2.353 2.158 2.881 . 0 0 "[ . 1 . 2]" 1
263 1 55 ILE HB 1 77 ILE HB 4.680 . 4.680 2.678 2.298 3.100 . 0 0 "[ . 1 . 2]" 1
264 1 36 GLY H 1 55 ILE MD . . 4.510 3.593 2.688 3.910 . 0 0 "[ . 1 . 2]" 1
265 1 55 ILE MD 1 55 ILE MG 3.820 . 3.820 3.252 3.223 3.267 . 0 0 "[ . 1 . 2]" 1
266 1 55 ILE MD 1 56 TYR H . . 4.900 4.640 4.563 4.695 . 0 0 "[ . 1 . 2]" 1
267 1 55 ILE H 1 55 ILE MG . . 4.600 3.685 3.624 3.744 . 0 0 "[ . 1 . 2]" 1
268 1 55 ILE MG 1 56 TYR H . . 4.350 2.456 2.262 2.795 . 0 0 "[ . 1 . 2]" 1
269 1 55 ILE MG 1 56 TYR HA 4.230 . 4.230 3.192 3.039 3.367 . 0 0 "[ . 1 . 2]" 1
270 1 56 TYR HA 1 57 VAL H 3.850 . 3.850 2.164 2.042 2.337 . 0 0 "[ . 1 . 2]" 1
271 1 56 TYR HA 1 57 VAL HB 5.210 . 5.210 4.140 3.865 4.391 . 0 0 "[ . 1 . 2]" 1
272 1 57 VAL HA 1 58 THR H . . 3.960 2.131 2.085 2.210 . 0 0 "[ . 1 . 2]" 1
273 1 57 VAL H 1 57 VAL HB . . 4.380 2.467 1.917 2.689 . 0 0 "[ . 1 . 2]" 1
274 1 33 ILE HA 1 57 VAL QG 5.170 . 5.170 3.258 3.058 3.605 . 0 0 "[ . 1 . 2]" 1
275 1 57 VAL QG 1 58 THR H . . 4.070 2.461 2.245 2.619 . 0 0 "[ . 1 . 2]" 1
276 1 57 VAL H 1 57 VAL QG . . 3.700 2.294 1.972 2.797 . 0 0 "[ . 1 . 2]" 1
277 1 58 THR HA 1 59 ARG HG3 4.820 . 4.820 4.684 4.477 4.888 0.068 8 0 "[ . 1 . 2]" 1
278 1 58 THR HB 1 59 ARG H 4.760 . 4.760 3.689 3.073 4.602 . 0 0 "[ . 1 . 2]" 1
279 1 59 ARG HA 1 59 ARG QD . . 3.880 3.854 3.536 4.052 0.172 2 0 "[ . 1 . 2]" 1
280 1 59 ARG HA 1 60 VAL H 3.330 . 3.330 2.520 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
281 1 32 SER H 1 59 ARG HB2 4.000 . 4.000 1.871 1.712 2.332 0.088 18 0 "[ . 1 . 2]" 1
282 1 32 SER H 1 59 ARG HB3 4.230 . 4.230 2.868 2.540 3.150 . 0 0 "[ . 1 . 2]" 1
283 1 32 SER QB 1 59 ARG HB2 . . 4.570 1.798 1.644 2.049 0.156 2 0 "[ . 1 . 2]" 1
284 1 59 ARG H 1 59 ARG HB3 . . 4.200 3.931 3.713 4.123 . 0 0 "[ . 1 . 2]" 1
285 1 59 ARG HB2 1 59 ARG QD . . 3.030 2.548 2.367 3.048 0.018 16 0 "[ . 1 . 2]" 1
286 1 59 ARG QD 1 60 VAL H 4.210 . 4.210 3.531 3.040 4.187 . 0 0 "[ . 1 . 2]" 1
287 1 32 SER QB 1 59 ARG HG3 5.110 . 5.110 2.602 2.199 3.109 . 0 0 "[ . 1 . 2]" 1
288 1 59 ARG H 1 59 ARG HG2 . . 4.240 4.363 4.117 4.473 0.233 18 0 "[ . 1 . 2]" 1
289 1 59 ARG H 1 59 ARG HG3 . . 4.240 3.927 3.517 4.341 0.101 14 0 "[ . 1 . 2]" 1
290 1 59 ARG HA 1 59 ARG HG2 3.930 . 3.930 2.266 2.119 2.414 . 0 0 "[ . 1 . 2]" 1
291 1 59 ARG HA 1 59 ARG HG3 4.050 . 4.050 3.003 2.850 3.365 . 0 0 "[ . 1 . 2]" 1
292 1 59 ARG HG3 1 60 VAL H 4.160 . 4.160 4.312 4.229 4.382 0.222 8 0 "[ . 1 . 2]" 1
293 1 31 PHE HA 1 60 VAL HA 4.810 . 4.810 1.792 1.704 1.931 0.096 1 0 "[ . 1 . 2]" 1
294 1 60 VAL HA 1 66 ALA MB . . 4.320 3.376 3.145 3.597 . 0 0 "[ . 1 . 2]" 1
295 1 59 ARG HA 1 60 VAL HB 4.900 . 4.900 4.842 4.647 4.921 0.021 16 0 "[ . 1 . 2]" 1
296 1 60 VAL H 1 60 VAL HB . . 3.980 3.188 3.069 3.663 . 0 0 "[ . 1 . 2]" 1
297 1 31 PHE HA 1 60 VAL QG . . 4.530 3.181 3.019 3.400 . 0 0 "[ . 1 . 2]" 1
298 1 31 PHE HB3 1 60 VAL QG . . 4.430 2.251 1.888 2.839 . 0 0 "[ . 1 . 2]" 1
299 1 60 VAL QG 1 66 ALA MB . . 2.840 1.810 1.692 1.997 0.108 3 0 "[ . 1 . 2]" 1
300 1 60 VAL H 1 60 VAL QG . . 3.790 3.122 2.685 3.257 . 0 0 "[ . 1 . 2]" 1
301 1 60 VAL MG1 1 60 VAL MG2 . . 3.100 2.051 2.026 2.107 . 0 0 "[ . 1 . 2]" 1
302 1 60 VAL QG 1 61 SER H 3.970 . 3.970 2.393 2.015 2.862 . 0 0 "[ . 1 . 2]" 1
303 1 60 VAL QG 1 67 GLU HA . . 3.760 2.519 2.240 2.932 . 0 0 "[ . 1 . 2]" 1
304 1 60 VAL QG 1 67 GLU HB3 3.710 . 3.710 3.587 3.091 3.801 0.091 12 0 "[ . 1 . 2]" 1
305 1 60 VAL H 1 61 SER HA 4.760 . 4.760 4.311 4.141 4.454 . 0 0 "[ . 1 . 2]" 1
306 1 61 SER HA 1 62 GLU H . . 3.590 2.098 2.009 2.407 . 0 0 "[ . 1 . 2]" 1
307 1 61 SER HA 1 62 GLU QB 4.140 . 4.140 4.009 3.767 4.118 . 0 0 "[ . 1 . 2]" 1
308 1 61 SER HA 1 62 GLU HG3 5.030 . 5.030 4.306 3.963 5.900 0.870 16 2 "[ . 1- .+ 2]" 1
309 1 61 SER QB 1 66 ALA MB 5.180 . 5.180 4.945 4.702 5.066 . 0 0 "[ . 1 . 2]" 1
310 1 60 VAL QG 1 61 SER QB 4.810 . 4.810 3.979 3.618 4.146 . 0 0 "[ . 1 . 2]" 1
311 1 61 SER QB 1 62 GLU H 4.590 . 4.590 3.053 2.149 3.302 . 0 0 "[ . 1 . 2]" 1
312 1 61 SER QB 1 64 GLY H 5.070 . 5.070 3.447 2.812 3.877 . 0 0 "[ . 1 . 2]" 1
313 1 60 VAL QG 1 62 GLU HA 5.030 . 5.030 3.851 3.460 4.177 . 0 0 "[ . 1 . 2]" 1
314 1 62 GLU HA 1 62 GLU HG3 . . 4.000 2.742 2.506 3.769 . 0 0 "[ . 1 . 2]" 1
315 1 62 GLU HA 1 63 GLY H 3.300 . 3.300 2.113 2.061 2.159 . 0 0 "[ . 1 . 2]" 1
316 1 62 GLU HA 1 63 GLY QA 4.250 . 4.250 3.862 3.837 3.891 . 0 0 "[ . 1 . 2]" 1
317 1 62 GLU HA 1 64 GLY H . . 4.280 3.559 3.348 3.727 . 0 0 "[ . 1 . 2]" 1
318 1 62 GLU H 1 62 GLU HG3 . . 4.690 2.575 2.208 3.595 . 0 0 "[ . 1 . 2]" 1
319 1 62 GLU H 1 62 GLU HG2 4.690 . 4.690 3.612 2.159 3.988 . 0 0 "[ . 1 . 2]" 1
320 1 62 GLU HG3 1 63 GLY H 4.590 . 4.590 4.668 4.136 4.778 0.188 6 0 "[ . 1 . 2]" 1
321 1 62 GLU HG2 1 63 GLY H 4.530 . 4.530 4.362 4.014 4.726 0.196 16 0 "[ . 1 . 2]" 1
322 1 62 GLU QB 1 63 GLY QA . . 4.650 3.835 3.652 4.065 . 0 0 "[ . 1 . 2]" 1
323 1 63 GLY QA 1 64 GLY H . . 4.040 2.899 2.812 2.949 . 0 0 "[ . 1 . 2]" 1
324 1 64 GLY HA3 1 65 PRO HD2 4.220 . 4.220 2.444 2.272 2.838 . 0 0 "[ . 1 . 2]" 1
325 1 64 GLY HA2 1 65 PRO HD3 4.270 . 4.270 2.472 1.917 2.890 . 0 0 "[ . 1 . 2]" 1
326 1 64 GLY HA3 1 65 PRO HD3 4.350 . 4.350 2.673 1.874 3.192 . 0 0 "[ . 1 . 2]" 1
327 1 65 PRO HA 1 65 PRO HD2 4.920 . 4.920 4.028 3.887 4.100 . 0 0 "[ . 1 . 2]" 1
328 1 65 PRO HA 1 66 ALA H 4.910 . 4.910 3.436 3.366 3.528 . 0 0 "[ . 1 . 2]" 1
329 1 65 PRO HA 1 66 ALA MB 4.430 . 4.430 4.881 4.838 4.941 0.511 16 1 "[ . 1 .+ 2]" 1
330 1 65 PRO HA 1 68 ILE H 4.680 . 4.680 3.307 3.132 3.690 . 0 0 "[ . 1 . 2]" 1
331 1 65 PRO HA 1 68 ILE HB 3.820 . 3.820 2.766 2.523 2.994 . 0 0 "[ . 1 . 2]" 1
332 1 65 PRO HA 1 68 ILE HG12 4.570 . 4.570 3.537 3.244 3.814 . 0 0 "[ . 1 . 2]" 1
333 1 65 PRO HB3 1 65 PRO HD3 . . 3.910 3.145 2.819 4.030 0.120 19 0 "[ . 1 . 2]" 1
334 1 65 PRO HB2 1 66 ALA H . . 5.010 3.342 2.696 3.586 . 0 0 "[ . 1 . 2]" 1
335 1 65 PRO HB3 1 66 ALA H . . 4.000 4.072 3.845 4.172 0.172 7 0 "[ . 1 . 2]" 1
336 1 118 VAL H 1 118 VAL HB . . 3.510 2.781 2.468 3.242 . 0 0 "[ . 1 . 2]" 1
337 1 64 GLY HA2 1 65 PRO HD2 4.370 . 4.370 3.252 2.621 4.062 . 0 0 "[ . 1 . 2]" 1
338 1 65 PRO HD3 1 66 ALA H . . 4.870 3.646 3.322 4.163 . 0 0 "[ . 1 . 2]" 1
339 1 28 ILE MG 1 65 PRO HG2 3.930 . 3.930 3.896 2.922 4.119 0.189 10 0 "[ . 1 . 2]" 1
340 1 28 ILE MG 1 65 PRO HG3 4.020 . 4.020 3.371 2.633 3.871 . 0 0 "[ . 1 . 2]" 1
341 1 65 PRO HG2 1 66 ALA H 5.010 . 5.010 2.549 2.236 4.254 . 0 0 "[ . 1 . 2]" 1
342 1 65 PRO HG3 1 66 ALA H 4.910 . 4.910 3.895 3.575 4.657 . 0 0 "[ . 1 . 2]" 1
343 1 66 ALA HA 1 67 GLU H 5.050 . 5.050 3.485 3.438 3.538 . 0 0 "[ . 1 . 2]" 1
344 1 66 ALA HA 1 69 ALA H . . 4.670 3.342 3.119 3.511 . 0 0 "[ . 1 . 2]" 1
345 1 66 ALA H 1 66 ALA MB 3.440 . 3.440 2.151 2.123 2.179 . 0 0 "[ . 1 . 2]" 1
346 1 66 ALA MB 1 67 GLU H 4.000 . 4.000 2.764 2.640 2.861 . 0 0 "[ . 1 . 2]" 1
347 1 66 ALA MB 1 67 GLU HA 4.410 . 4.410 3.900 3.810 4.007 . 0 0 "[ . 1 . 2]" 1
348 1 67 GLU HA 1 67 GLU HG3 3.710 . 3.710 2.803 2.474 3.299 . 0 0 "[ . 1 . 2]" 1
349 1 67 GLU HA 1 68 ILE H 4.970 . 4.970 3.461 3.433 3.484 . 0 0 "[ . 1 . 2]" 1
350 1 67 GLU HA 1 70 GLY H 4.730 . 4.730 3.317 2.975 3.653 . 0 0 "[ . 1 . 2]" 1
351 1 67 GLU H 1 67 GLU HG3 4.820 . 4.820 4.431 4.142 4.572 . 0 0 "[ . 1 . 2]" 1
352 1 67 GLU H 1 67 GLU HG2 4.620 . 4.620 4.432 4.330 4.550 . 0 0 "[ . 1 . 2]" 1
353 1 67 GLU HA 1 67 GLU HG2 3.980 . 3.980 3.411 2.870 4.006 0.026 19 0 "[ . 1 . 2]" 1
354 1 67 GLU HG2 1 68 ILE H 4.800 . 4.800 4.167 3.666 4.768 . 0 0 "[ . 1 . 2]" 1
355 1 60 VAL QG 1 67 GLU HG3 5.500 . 5.500 3.938 3.176 5.107 . 0 0 "[ . 1 . 2]" 1
356 1 68 ILE HA 1 68 ILE HG13 . . 4.460 2.494 2.338 2.553 . 0 0 "[ . 1 . 2]" 1
357 1 68 ILE HA 1 68 ILE HG12 4.430 . 4.430 3.675 3.621 3.704 . 0 0 "[ . 1 . 2]" 1
358 1 68 ILE H 1 68 ILE HB . . 3.840 2.361 2.313 2.467 . 0 0 "[ . 1 . 2]" 1
359 1 68 ILE HB 1 69 ALA H . . 4.150 2.672 2.540 2.787 . 0 0 "[ . 1 . 2]" 1
360 1 65 PRO HB2 1 68 ILE MD 4.820 . 4.820 4.795 4.141 4.964 0.144 18 0 "[ . 1 . 2]" 1
361 1 68 ILE HA 1 68 ILE MD 4.370 . 4.370 2.565 2.414 2.964 . 0 0 "[ . 1 . 2]" 1
362 1 68 ILE H 1 68 ILE HG13 . . 3.910 3.745 3.425 3.873 . 0 0 "[ . 1 . 2]" 1
363 1 68 ILE H 1 68 ILE HG12 . . 4.240 3.806 3.732 3.929 . 0 0 "[ . 1 . 2]" 1
364 1 68 ILE H 1 68 ILE MG . . 4.020 3.723 3.695 3.771 . 0 0 "[ . 1 . 2]" 1
365 1 68 ILE HA 1 68 ILE MG 3.590 . 3.590 2.541 2.452 2.582 . 0 0 "[ . 1 . 2]" 1
366 1 68 ILE MG 1 69 ALA H . . 4.200 3.195 3.031 3.459 . 0 0 "[ . 1 . 2]" 1
367 1 65 PRO HA 1 68 ILE MG 4.180 . 4.180 4.109 3.915 4.298 0.118 12 0 "[ . 1 . 2]" 1
368 1 68 ILE HA 1 69 ALA HA 4.980 . 4.980 4.719 4.687 4.782 . 0 0 "[ . 1 . 2]" 1
369 1 68 ILE MG 1 69 ALA HA 4.240 . 4.240 3.276 3.141 3.497 . 0 0 "[ . 1 . 2]" 1
370 1 69 ALA HA 1 70 GLY H 4.240 . 4.240 3.459 3.405 3.528 . 0 0 "[ . 1 . 2]" 1
371 1 66 ALA HA 1 69 ALA MB 3.270 . 3.270 2.692 2.228 2.928 . 0 0 "[ . 1 . 2]" 1
372 1 68 ILE H 1 69 ALA MB 4.610 . 4.610 4.254 3.948 4.444 . 0 0 "[ . 1 . 2]" 1
373 1 68 ILE HB 1 69 ALA MB 4.260 . 4.260 4.031 3.912 4.089 . 0 0 "[ . 1 . 2]" 1
374 1 69 ALA H 1 69 ALA MB 3.130 . 3.130 2.254 2.219 2.283 . 0 0 "[ . 1 . 2]" 1
375 1 69 ALA MB 1 70 GLY H 3.900 . 3.900 2.893 2.660 3.062 . 0 0 "[ . 1 . 2]" 1
376 1 69 ALA MB 1 70 GLY HA2 5.040 . 5.040 4.644 4.545 4.749 . 0 0 "[ . 1 . 2]" 1
377 1 69 ALA MB 1 70 GLY HA3 4.930 . 4.930 4.271 4.193 4.365 . 0 0 "[ . 1 . 2]" 1
378 1 70 GLY HA2 1 71 LEU H 4.670 . 4.670 2.631 2.463 2.940 . 0 0 "[ . 1 . 2]" 1
379 1 70 GLY HA3 1 71 LEU H . . 4.290 3.568 3.529 3.590 . 0 0 "[ . 1 . 2]" 1
380 1 72 GLN HA 1 73 ILE H 3.380 . 3.380 3.050 2.428 3.475 0.095 12 0 "[ . 1 . 2]" 1
381 1 71 LEU HA 1 72 GLN QG 4.840 . 4.840 3.047 2.551 4.708 . 0 0 "[ . 1 . 2]" 1
382 1 72 GLN H 1 72 GLN QG 3.870 . 3.870 2.695 2.037 3.018 . 0 0 "[ . 1 . 2]" 1
383 1 73 ILE HA 1 74 GLY H . . 4.120 3.351 3.261 3.484 . 0 0 "[ . 1 . 2]" 1
384 1 73 ILE H 1 73 ILE HB . . 3.580 3.529 3.289 3.628 0.048 3 0 "[ . 1 . 2]" 1
385 1 73 ILE H 1 73 ILE HG13 5.110 . 5.110 3.081 2.735 4.396 . 0 0 "[ . 1 . 2]" 1
386 1 73 ILE H 1 73 ILE HG12 4.600 . 4.600 3.966 3.346 5.212 0.612 12 1 "[ . 1 + . 2]" 1
387 1 73 ILE H 1 73 ILE MG 3.910 . 3.910 4.058 3.936 4.102 0.192 19 0 "[ . 1 . 2]" 1
388 1 73 ILE MG 1 74 GLY H 4.380 . 4.380 3.921 2.919 4.186 . 0 0 "[ . 1 . 2]" 1
389 1 73 ILE MG 1 74 GLY HA2 . . 4.960 3.998 3.598 4.262 . 0 0 "[ . 1 . 2]" 1
390 1 73 ILE MG 1 74 GLY HA3 4.990 . 4.990 3.705 2.677 4.159 . 0 0 "[ . 1 . 2]" 1
391 1 100 ARG HA 1 100 ARG QD . . 4.220 4.137 3.900 4.273 0.053 14 0 "[ . 1 . 2]" 1
392 1 95 LYS HA 1 95 LYS HG3 4.000 . 4.000 3.660 3.611 3.707 . 0 0 "[ . 1 . 2]" 1
393 1 95 LYS HA 1 95 LYS HG2 4.200 . 4.200 2.767 2.427 4.241 0.041 9 0 "[ . 1 . 2]" 1
394 1 95 LYS H 1 95 LYS QB . . 3.540 2.248 2.113 2.681 . 0 0 "[ . 1 . 2]" 1
395 1 95 LYS QE 1 99 LYS QB . . 4.970 3.396 1.790 4.473 0.010 6 0 "[ . 1 . 2]" 1
396 1 95 LYS QB 1 96 ARG H . . 4.940 2.762 2.418 3.634 . 0 0 "[ . 1 . 2]" 1
397 1 95 LYS H 1 95 LYS QD . . 3.990 3.997 3.550 4.209 0.219 5 0 "[ . 1 . 2]" 1
398 1 95 LYS HA 1 95 LYS QD 4.220 . 4.220 3.530 3.374 3.902 . 0 0 "[ . 1 . 2]" 1
399 1 95 LYS H 1 95 LYS HG3 4.390 . 4.390 4.147 2.093 4.527 0.137 10 0 "[ . 1 . 2]" 1
400 1 95 LYS H 1 95 LYS HG2 4.620 . 4.620 4.266 3.462 4.429 . 0 0 "[ . 1 . 2]" 1
401 1 95 LYS QD 1 96 ARG HA 3.880 . 3.880 2.651 2.396 2.986 . 0 0 "[ . 1 . 2]" 1
402 1 95 LYS QE 1 96 ARG HA 5.090 . 5.090 3.450 3.012 3.664 . 0 0 "[ . 1 . 2]" 1
403 1 96 ARG HA 1 96 ARG QD . . 3.730 1.992 1.808 2.307 . 0 0 "[ . 1 . 2]" 1
404 1 96 ARG H 1 96 ARG QB . . 3.570 2.454 2.247 2.601 . 0 0 "[ . 1 . 2]" 1
405 1 95 LYS QB 1 96 ARG QD 4.100 . 4.100 3.601 3.173 4.138 0.038 18 0 "[ . 1 . 2]" 1
406 1 96 ARG H 1 96 ARG QD . . 4.550 3.206 2.905 3.514 . 0 0 "[ . 1 . 2]" 1
407 1 96 ARG H 1 96 ARG HG2 . . 3.950 2.398 2.113 2.847 . 0 0 "[ . 1 . 2]" 1
408 1 96 ARG H 1 96 ARG HG3 4.530 . 4.530 3.830 3.635 4.119 . 0 0 "[ . 1 . 2]" 1
409 1 96 ARG HA 1 96 ARG HG2 4.250 . 4.250 3.207 3.056 3.354 . 0 0 "[ . 1 . 2]" 1
410 1 96 ARG HA 1 96 ARG HG3 4.350 . 4.350 3.682 3.521 3.796 . 0 0 "[ . 1 . 2]" 1
411 1 97 LEU QD 1 98 THR HA 3.550 . 3.550 3.373 2.860 3.664 0.114 12 0 "[ . 1 . 2]" 1
412 1 99 LYS HA 1 99 LYS HG3 4.160 . 4.160 3.056 2.231 3.848 . 0 0 "[ . 1 . 2]" 1
413 1 99 LYS HA 1 100 ARG H . . 3.680 2.660 2.087 3.488 . 0 0 "[ . 1 . 2]" 1
414 1 99 LYS H 1 99 LYS QB . . 3.630 2.536 2.142 2.973 . 0 0 "[ . 1 . 2]" 1
415 1 95 LYS QE 1 99 LYS HG3 4.320 . 4.320 3.241 2.348 4.372 0.052 18 0 "[ . 1 . 2]" 1
416 1 95 LYS QE 1 99 LYS HG2 4.310 . 4.310 3.855 2.718 4.488 0.178 6 0 "[ . 1 . 2]" 1
417 1 99 LYS H 1 99 LYS HG3 5.190 . 5.190 4.064 3.208 5.016 . 0 0 "[ . 1 . 2]" 1
418 1 100 ARG HA 1 101 SER H 4.690 . 4.690 2.907 2.420 3.458 . 0 0 "[ . 1 . 2]" 1
419 1 100 ARG HA 1 102 GLU H . . 4.850 4.376 3.660 4.859 0.009 15 0 "[ . 1 . 2]" 1
420 1 100 ARG H 1 100 ARG QB . . 3.790 2.963 2.429 3.426 . 0 0 "[ . 1 . 2]" 1
421 1 22 ARG H 1 22 ARG HD3 4.800 . 4.800 3.812 1.739 4.916 0.116 12 0 "[ . 1 . 2]" 1
422 1 99 LYS HA 1 100 ARG HG3 5.200 . 5.200 4.337 3.371 5.308 0.108 3 0 "[ . 1 . 2]" 1
423 1 99 LYS HA 1 100 ARG HG2 5.200 . 5.200 4.520 3.748 5.249 0.049 13 0 "[ . 1 . 2]" 1
424 1 100 ARG H 1 100 ARG HG3 . . 4.100 3.031 1.868 3.377 . 0 0 "[ . 1 . 2]" 1
425 1 100 ARG H 1 100 ARG HG2 4.630 . 4.630 2.885 1.868 3.958 . 0 0 "[ . 1 . 2]" 1
426 1 100 ARG HA 1 100 ARG HG3 4.280 . 4.280 3.457 2.946 3.842 . 0 0 "[ . 1 . 2]" 1
427 1 100 ARG HA 1 100 ARG HG2 4.270 . 4.270 3.096 2.486 3.819 . 0 0 "[ . 1 . 2]" 1
428 1 101 SER HA 1 102 GLU H 4.310 . 4.310 3.267 2.257 3.593 . 0 0 "[ . 1 . 2]" 1
429 1 101 SER H 1 102 GLU QB 4.910 . 4.910 4.069 3.730 4.933 0.023 6 0 "[ . 1 . 2]" 1
430 1 102 GLU H 1 102 GLU QB . . 3.500 2.601 2.272 3.392 . 0 0 "[ . 1 . 2]" 1
431 1 102 GLU H 1 102 GLU HG3 . . 4.110 3.474 2.297 4.155 0.045 4 0 "[ . 1 . 2]" 1
432 1 102 GLU H 1 102 GLU HG2 . . 4.060 2.668 1.952 4.211 0.151 2 0 "[ . 1 . 2]" 1
433 1 102 GLU HA 1 102 GLU HG3 4.360 . 4.360 3.602 2.215 4.272 . 0 0 "[ . 1 . 2]" 1
434 1 102 GLU HA 1 102 GLU HG2 4.280 . 4.280 3.066 2.449 3.778 . 0 0 "[ . 1 . 2]" 1
435 1 103 GLU HA 1 103 GLU HG3 4.260 . 4.260 3.681 3.372 3.851 . 0 0 "[ . 1 . 2]" 1
436 1 103 GLU HA 1 104 VAL H 4.510 . 4.510 3.405 3.267 3.536 . 0 0 "[ . 1 . 2]" 1
437 1 102 GLU HA 1 103 GLU HG3 5.170 . 5.170 5.110 4.479 5.722 0.552 5 1 "[ + 1 . 2]" 1
438 1 103 GLU HA 1 103 GLU HG2 4.000 . 4.000 3.814 3.397 4.197 0.197 12 0 "[ . 1 . 2]" 1
439 1 103 GLU HG3 1 104 VAL H 4.920 . 4.920 2.748 1.726 4.689 0.074 6 0 "[ . 1 . 2]" 1
440 1 103 GLU HG2 1 104 VAL H 4.890 . 4.890 3.384 2.718 4.496 . 0 0 "[ . 1 . 2]" 1
441 1 103 GLU HG3 1 104 VAL MG1 4.610 . 4.610 2.246 1.773 4.672 0.062 17 0 "[ . 1 . 2]" 1
442 1 103 GLU HG2 1 104 VAL MG1 . . 4.150 3.203 2.628 4.429 0.279 6 0 "[ . 1 . 2]" 1
443 1 103 GLU H 1 103 GLU HG3 4.900 . 4.900 2.996 2.027 4.449 . 0 0 "[ . 1 . 2]" 1
444 1 103 GLU H 1 103 GLU HG2 . . 4.650 2.389 1.800 4.380 0.000 3 0 "[ . 1 . 2]" 1
445 1 104 VAL H 1 104 VAL HB 4.300 . 4.300 3.426 3.304 3.551 . 0 0 "[ . 1 . 2]" 1
446 1 104 VAL HB 1 105 VAL H 5.100 . 5.100 3.946 3.859 4.097 . 0 0 "[ . 1 . 2]" 1
447 1 103 GLU HA 1 104 VAL MG1 4.980 . 4.980 4.676 4.276 4.940 . 0 0 "[ . 1 . 2]" 1
448 1 103 GLU QB 1 104 VAL MG1 3.920 . 3.920 3.634 2.260 4.053 0.133 9 0 "[ . 1 . 2]" 1
449 1 104 VAL H 1 104 VAL MG1 . . 3.710 2.378 2.124 2.592 . 0 0 "[ . 1 . 2]" 1
450 1 104 VAL HA 1 104 VAL MG1 3.630 . 3.630 3.213 3.205 3.223 . 0 0 "[ . 1 . 2]" 1
451 1 104 VAL H 1 104 VAL MG2 4.430 . 4.430 3.932 3.827 3.986 . 0 0 "[ . 1 . 2]" 1
452 1 104 VAL HA 1 104 VAL MG2 3.750 . 3.750 2.424 2.371 2.472 . 0 0 "[ . 1 . 2]" 1
453 1 104 VAL MG2 1 105 VAL H 3.620 . 3.620 2.182 1.995 2.501 . 0 0 "[ . 1 . 2]" 1
454 1 104 VAL MG2 1 105 VAL HA 4.710 . 4.710 3.740 3.575 3.842 . 0 0 "[ . 1 . 2]" 1
455 1 104 VAL MG2 1 106 ARG HG3 . . 4.440 3.267 3.071 3.698 . 0 0 "[ . 1 . 2]" 1
456 1 104 VAL MG2 1 106 ARG HG2 4.360 . 4.360 4.394 4.311 4.473 0.113 5 0 "[ . 1 . 2]" 1
457 1 20 LYS HA 1 105 VAL MG1 4.390 . 4.390 4.538 4.447 4.690 0.300 9 0 "[ . 1 . 2]" 1
458 1 105 VAL MG1 1 106 ARG HD3 4.430 . 4.430 4.364 4.004 4.560 0.130 18 0 "[ . 1 . 2]" 1
459 1 105 VAL MG1 1 106 ARG HD2 4.450 . 4.450 4.537 4.469 4.605 0.155 17 0 "[ . 1 . 2]" 1
460 1 20 LYS HA 1 105 VAL MG2 4.110 . 4.110 2.879 2.577 3.692 . 0 0 "[ . 1 . 2]" 1
461 1 105 VAL MG2 1 106 ARG H 3.990 . 3.990 3.628 3.280 3.774 . 0 0 "[ . 1 . 2]" 1
462 1 105 VAL MG2 1 106 ARG HD3 . . 4.400 4.595 4.426 4.650 0.250 5 0 "[ . 1 . 2]" 1
463 1 106 ARG H 1 106 ARG HG3 4.660 . 4.660 3.485 3.233 3.782 . 0 0 "[ . 1 . 2]" 1
464 1 106 ARG H 1 106 ARG HG2 4.670 . 4.670 4.008 3.909 4.122 . 0 0 "[ . 1 . 2]" 1
465 1 106 ARG HG2 1 107 LEU H 5.010 . 5.010 5.216 5.143 5.281 0.271 14 0 "[ . 1 . 2]" 1
466 1 78 MET H 1 109 VAL HA 4.590 . 4.590 2.447 2.236 2.770 . 0 0 "[ . 1 . 2]" 1
467 1 109 VAL HA 1 110 THR H . . 3.960 2.185 2.119 2.264 . 0 0 "[ . 1 . 2]" 1
468 1 109 VAL HB 1 110 THR H . . 4.150 4.192 2.826 4.323 0.173 15 0 "[ . 1 . 2]" 1
469 1 107 LEU HG 1 109 VAL QG 4.050 . 4.050 3.174 2.068 4.006 . 0 0 "[ . 1 . 2]" 1
470 1 109 VAL H 1 109 VAL QG . . 3.640 2.763 2.087 3.072 . 0 0 "[ . 1 . 2]" 1
471 1 109 VAL QG 1 110 THR H . . 4.010 2.473 2.322 3.329 . 0 0 "[ . 1 . 2]" 1
472 1 109 VAL QG 1 110 THR HA 4.920 . 4.920 3.232 3.109 3.622 . 0 0 "[ . 1 . 2]" 1
473 1 110 THR HA 1 110 THR MG . . 3.400 2.092 1.962 2.195 . 0 0 "[ . 1 . 2]" 1
474 1 110 THR HA 1 111 ARG H 3.500 . 3.500 2.076 2.033 2.108 . 0 0 "[ . 1 . 2]" 1
475 1 110 THR HA 1 111 ARG HB3 4.620 . 4.620 4.113 3.831 4.984 0.364 4 0 "[ . 1 . 2]" 1
476 1 110 THR HA 1 111 ARG HB2 4.980 . 4.980 4.708 3.933 5.220 0.240 15 0 "[ . 1 . 2]" 1
477 1 50 LYS QG 1 110 THR HB 4.380 . 4.380 2.918 2.208 3.812 . 0 0 "[ . 1 . 2]" 1
478 1 110 THR H 1 110 THR HB 4.150 . 4.150 2.967 2.812 3.119 . 0 0 "[ . 1 . 2]" 1
479 1 110 THR HB 1 111 ARG H 4.050 . 4.050 3.877 3.707 4.011 . 0 0 "[ . 1 . 2]" 1
480 1 50 LYS QB 1 110 THR MG 3.530 . 3.530 3.327 2.092 3.676 0.146 2 0 "[ . 1 . 2]" 1
481 1 110 THR H 1 110 THR MG 3.810 . 3.810 3.718 3.591 3.779 . 0 0 "[ . 1 . 2]" 1
482 1 110 THR MG 1 111 ARG H 3.680 . 3.680 2.906 2.717 3.061 . 0 0 "[ . 1 . 2]" 1
483 1 110 THR MG 1 112 GLN QE 4.600 . 4.600 4.486 4.312 4.611 0.011 15 0 "[ . 1 . 2]" 1
484 1 111 ARG HB2 1 112 GLN H 4.750 . 4.750 3.863 3.270 4.575 . 0 0 "[ . 1 . 2]" 1
485 1 112 GLN HA 1 112 GLN HB3 3.120 . 3.120 2.313 2.227 2.503 . 0 0 "[ . 1 . 2]" 1
486 1 78 MET HA 1 78 MET QG 3.540 . 3.540 2.996 2.937 3.347 . 0 0 "[ . 1 . 2]" 1
487 1 61 SER QB 1 62 GLU QB 4.670 . 4.670 4.306 4.178 4.393 . 0 0 "[ . 1 . 2]" 1
488 1 112 GLN H 1 112 GLN HB2 . . 3.760 3.671 3.341 3.888 0.128 4 0 "[ . 1 . 2]" 1
489 1 112 GLN HB2 1 113 SER H 4.510 . 4.510 2.696 1.643 3.808 0.157 18 0 "[ . 1 . 2]" 1
490 1 112 GLN HB2 1 114 LEU MD2 4.370 . 4.370 4.000 3.245 4.484 0.114 12 0 "[ . 1 . 2]" 1
491 1 112 GLN HG3 1 114 LEU MD2 4.490 . 4.490 3.042 2.430 3.526 . 0 0 "[ . 1 . 2]" 1
492 1 112 GLN HG2 1 114 LEU MD2 4.390 . 4.390 2.376 1.694 3.549 0.106 13 0 "[ . 1 . 2]" 1
493 1 112 GLN H 1 112 GLN HG3 4.090 . 4.090 3.738 3.377 4.071 . 0 0 "[ . 1 . 2]" 1
494 1 112 GLN H 1 112 GLN HG2 4.190 . 4.190 2.453 1.777 3.534 0.023 20 0 "[ . 1 . 2]" 1
495 1 112 GLN HA 1 112 GLN HG3 4.020 . 4.020 4.171 3.991 4.213 0.193 10 0 "[ . 1 . 2]" 1
496 1 112 GLN HA 1 112 GLN HG2 4.040 . 4.040 3.683 3.478 3.948 . 0 0 "[ . 1 . 2]" 1
497 1 112 GLN HG3 1 113 SER H 4.670 . 4.670 3.137 1.890 3.734 . 0 0 "[ . 1 . 2]" 1
498 1 113 SER HA 1 114 LEU H . . 3.260 2.843 2.244 3.163 . 0 0 "[ . 1 . 2]" 1
499 1 113 SER HA 1 114 LEU MD2 4.140 . 4.140 4.099 3.670 4.285 0.145 5 0 "[ . 1 . 2]" 1
500 1 112 GLN HB2 1 113 SER QB 4.300 . 4.300 3.230 2.745 3.845 . 0 0 "[ . 1 . 2]" 1
501 1 112 GLN HG2 1 113 SER QB 4.820 . 4.820 3.780 2.768 4.823 0.003 18 0 "[ . 1 . 2]" 1
502 1 113 SER H 1 113 SER QB 3.440 . 3.440 2.703 2.062 3.042 . 0 0 "[ . 1 . 2]" 1
503 1 113 SER QB 1 114 LEU MD2 3.490 . 3.490 3.368 2.697 4.148 0.658 8 1 "[ . + 1 . 2]" 1
504 1 115 GLN HA 1 115 GLN HE21 5.100 . 5.100 3.960 2.009 5.292 0.192 17 0 "[ . 1 . 2]" 1
505 1 115 GLN H 1 115 GLN QB . . 3.590 2.451 2.056 2.941 . 0 0 "[ . 1 . 2]" 1
506 1 115 GLN H 1 115 GLN QG 3.630 . 3.630 2.630 1.728 3.926 0.296 7 0 "[ . 1 . 2]" 1
507 1 115 GLN HA 1 115 GLN QG 3.110 . 3.110 2.658 2.038 3.371 0.261 10 0 "[ . 1 . 2]" 1
508 1 116 LYS HA 1 116 LYS QG 3.660 . 3.660 2.772 2.391 3.509 . 0 0 "[ . 1 . 2]" 1
509 1 115 GLN HA 1 116 LYS H 3.010 . 3.010 2.238 2.097 3.043 0.033 17 0 "[ . 1 . 2]" 1
510 1 116 LYS HB3 1 117 ALA H . . 4.140 3.913 2.172 4.598 0.458 4 0 "[ . 1 . 2]" 1
511 1 116 LYS H 1 116 LYS HB2 . . 3.580 2.965 2.390 3.950 0.370 12 0 "[ . 1 . 2]" 1
512 1 116 LYS HA 1 116 LYS QD 4.550 . 4.550 3.711 1.941 4.300 . 0 0 "[ . 1 . 2]" 1
513 1 117 ALA HA 1 118 VAL H 3.100 . 3.100 2.647 2.142 3.106 0.006 17 0 "[ . 1 . 2]" 1
514 1 117 ALA HA 1 118 VAL QG 4.400 . 4.400 4.117 3.594 4.438 0.038 8 0 "[ . 1 . 2]" 1
515 1 117 ALA H 1 117 ALA MB 3.270 . 3.270 2.750 2.243 2.981 . 0 0 "[ . 1 . 2]" 1
516 1 117 ALA MB 1 118 VAL H 3.670 . 3.670 3.600 3.345 3.707 0.037 7 0 "[ . 1 . 2]" 1
517 1 118 VAL HA 1 119 GLN H . . 3.320 2.980 2.096 3.532 0.212 7 0 "[ . 1 . 2]" 1
518 1 118 VAL H 1 118 VAL QG . . 3.490 2.122 1.821 2.571 . 0 0 "[ . 1 . 2]" 1
519 1 118 VAL QG 1 120 GLN QG 4.530 . 4.530 4.074 2.348 4.624 0.094 11 0 "[ . 1 . 2]" 1
520 1 118 VAL QG 1 119 GLN HA 4.020 . 4.020 3.453 3.091 4.044 0.024 2 0 "[ . 1 . 2]" 1
521 1 119 GLN HA 1 119 GLN QG 3.370 . 3.370 2.748 2.368 3.349 . 0 0 "[ . 1 . 2]" 1
522 1 118 VAL QG 1 119 GLN QG 4.800 . 4.800 3.135 1.764 4.292 0.036 15 0 "[ . 1 . 2]" 1
523 1 22 ARG QB 1 22 ARG HD2 3.910 . 3.910 2.634 2.229 3.287 . 0 0 "[ . 1 . 2]" 1
524 1 22 ARG H 1 22 ARG HD2 4.620 . 4.620 4.106 2.041 4.868 0.248 10 0 "[ . 1 . 2]" 1
525 1 73 ILE HA 1 74 GLY HA2 5.020 . 5.020 4.595 4.548 4.657 . 0 0 "[ . 1 . 2]" 1
526 1 74 GLY HA2 1 75 ASP H 4.990 . 4.990 2.544 2.419 2.669 . 0 0 "[ . 1 . 2]" 1
527 1 75 ASP QB 1 76 LYS H . . 4.850 2.721 2.432 3.020 . 0 0 "[ . 1 . 2]" 1
528 1 76 LYS HA 1 77 ILE H . . 4.350 2.122 2.059 2.183 . 0 0 "[ . 1 . 2]" 1
529 1 76 LYS HA 1 77 ILE MD 4.740 . 4.740 3.552 2.820 4.468 . 0 0 "[ . 1 . 2]" 1
530 1 77 ILE HA 1 78 MET QG . . 4.930 3.570 3.313 3.835 . 0 0 "[ . 1 . 2]" 1
531 1 77 ILE H 1 77 ILE HB . . 4.180 2.343 2.259 2.462 . 0 0 "[ . 1 . 2]" 1
532 1 77 ILE H 1 77 ILE MD . . 4.010 2.330 1.798 3.116 0.002 20 0 "[ . 1 . 2]" 1
533 1 77 ILE MG 1 78 MET H . . 4.210 2.809 2.516 3.015 . 0 0 "[ . 1 . 2]" 1
534 1 78 MET HB2 1 79 GLN H 5.000 . 5.000 3.205 2.934 4.304 . 0 0 "[ . 1 . 2]" 1
535 1 78 MET HA 1 78 MET ME 3.400 . 3.400 1.837 1.708 3.447 0.092 6 0 "[ . 1 . 2]" 1
536 1 78 MET ME 1 78 MET QG 3.220 . 3.220 2.283 2.209 2.562 . 0 0 "[ . 1 . 2]" 1
537 1 78 MET H 1 78 MET QG 4.300 . 4.300 2.236 2.139 2.362 . 0 0 "[ . 1 . 2]" 1
538 1 78 MET QG 1 79 GLN H . . 4.610 4.064 3.178 4.267 . 0 0 "[ . 1 . 2]" 1
539 1 79 GLN HA 1 79 GLN QG 4.010 . 4.010 2.844 2.299 2.975 . 0 0 "[ . 1 . 2]" 1
540 1 79 GLN HA 1 80 VAL H 3.630 . 3.630 2.269 2.214 2.313 . 0 0 "[ . 1 . 2]" 1
541 1 79 GLN HA 1 80 VAL QG 4.550 . 4.550 3.716 3.302 4.083 . 0 0 "[ . 1 . 2]" 1
542 1 79 GLN H 1 79 GLN HB3 . . 4.320 3.050 2.876 3.927 . 0 0 "[ . 1 . 2]" 1
543 1 79 GLN QG 1 80 VAL H . . 3.570 2.228 2.037 3.457 . 0 0 "[ . 1 . 2]" 1
544 1 81 ASN HA 1 82 GLY H 4.170 . 4.170 2.971 2.706 3.210 . 0 0 "[ . 1 . 2]" 1
545 1 80 VAL QG 1 81 ASN QB . . 4.900 2.544 2.129 3.003 . 0 0 "[ . 1 . 2]" 1
546 1 83 TRP HA 1 84 ASP H . . 3.170 2.296 2.024 2.538 . 0 0 "[ . 1 . 2]" 1
547 1 83 TRP H 1 83 TRP HB3 4.220 . 4.220 3.643 3.603 3.692 . 0 0 "[ . 1 . 2]" 1
548 1 83 TRP H 1 83 TRP HB2 . . 3.640 2.451 2.367 2.626 . 0 0 "[ . 1 . 2]" 1
549 1 83 TRP HB3 1 84 ASP H 4.920 . 4.920 2.569 2.003 3.388 . 0 0 "[ . 1 . 2]" 1
550 1 83 TRP HB2 1 84 ASP H 4.860 . 4.860 3.742 3.365 4.262 . 0 0 "[ . 1 . 2]" 1
551 1 84 ASP HA 1 85 MET H 3.110 . 3.110 2.130 2.071 2.203 . 0 0 "[ . 1 . 2]" 1
552 1 85 MET ME 1 85 MET HG3 3.660 . 3.660 2.522 2.272 3.398 . 0 0 "[ . 1 . 2]" 1
553 1 85 MET ME 1 85 MET HG2 3.660 . 3.660 2.715 2.379 3.407 . 0 0 "[ . 1 . 2]" 1
554 1 86 THR HA 1 86 THR MG 3.460 . 3.460 2.239 2.158 2.328 . 0 0 "[ . 1 . 2]" 1
555 1 86 THR HB 1 87 MET H 3.870 . 3.870 3.373 2.766 3.940 0.070 9 0 "[ . 1 . 2]" 1
556 1 85 MET H 1 86 THR MG 4.250 . 4.250 4.189 3.816 4.377 0.127 12 0 "[ . 1 . 2]" 1
557 1 86 THR H 1 86 THR MG 3.300 . 3.300 3.143 2.546 3.461 0.161 5 0 "[ . 1 . 2]" 1
558 1 86 THR MG 1 87 MET HG2 4.240 . 4.240 4.306 4.073 4.450 0.210 12 0 "[ . 1 . 2]" 1
559 1 86 THR MG 1 87 MET HG3 3.960 . 3.960 4.214 4.058 4.492 0.532 11 1 "[ . 1+ . 2]" 1
560 1 86 THR MG 1 87 MET ME 3.930 . 3.930 3.901 3.758 4.014 0.084 9 0 "[ . 1 . 2]" 1
561 1 87 MET H 1 87 MET HB2 . . 4.120 3.386 3.015 3.989 . 0 0 "[ . 1 . 2]" 1
562 1 37 ILE MD 1 87 MET HG3 4.940 . 4.940 4.883 4.212 5.170 0.230 5 0 "[ . 1 . 2]" 1
563 1 86 THR HB 1 87 MET HG3 4.920 . 4.920 3.088 2.484 3.804 . 0 0 "[ . 1 . 2]" 1
564 1 87 MET H 1 87 MET HG2 4.530 . 4.530 3.143 2.632 3.553 . 0 0 "[ . 1 . 2]" 1
565 1 87 MET H 1 87 MET HG3 . . 4.450 2.433 2.000 3.216 . 0 0 "[ . 1 . 2]" 1
566 1 87 MET HA 1 87 MET HG2 4.420 . 4.420 3.213 2.932 3.716 . 0 0 "[ . 1 . 2]" 1
567 1 87 MET HA 1 87 MET HG3 4.410 . 4.410 3.597 3.478 3.701 . 0 0 "[ . 1 . 2]" 1
568 1 88 VAL QG 1 93 ALA HA . . 4.080 3.566 2.979 4.059 . 0 0 "[ . 1 . 2]" 1
569 1 88 VAL QG 1 93 ALA MB . . 3.230 2.587 1.980 3.030 . 0 0 "[ . 1 . 2]" 1
570 1 88 VAL QG 1 92 GLN HB2 . . 4.030 2.758 2.285 3.708 . 0 0 "[ . 1 . 2]" 1
571 1 88 VAL H 1 88 VAL QG . . 3.540 2.705 2.252 3.126 . 0 0 "[ . 1 . 2]" 1
572 1 88 VAL QG 1 92 GLN HB3 3.580 . 3.580 1.881 1.732 2.452 0.068 8 0 "[ . 1 . 2]" 1
573 1 88 VAL QG 1 89 THR H 3.840 . 3.840 2.303 1.710 3.203 0.090 19 0 "[ . 1 . 2]" 1
574 1 37 ILE HG12 1 89 THR HA 3.880 . 3.880 3.156 2.574 3.953 0.073 17 0 "[ . 1 . 2]" 1
575 1 38 ASP H 1 89 THR HA . . 4.440 1.791 1.743 1.964 0.057 8 0 "[ . 1 . 2]" 1
576 1 38 ASP HA 1 89 THR HA 4.210 . 4.210 3.612 3.401 3.751 . 0 0 "[ . 1 . 2]" 1
577 1 89 THR HA 1 89 THR MG . . 3.440 2.299 2.241 2.398 . 0 0 "[ . 1 . 2]" 1
578 1 89 THR HA 1 90 HIS H 4.080 . 4.080 2.276 2.246 2.335 . 0 0 "[ . 1 . 2]" 1
579 1 37 ILE HA 1 89 THR MG 4.930 . 4.930 5.071 4.951 5.170 0.240 4 0 "[ . 1 . 2]" 1
580 1 37 ILE HB 1 89 THR MG 4.260 . 4.260 4.120 3.713 4.353 0.093 5 0 "[ . 1 . 2]" 1
581 1 37 ILE HG12 1 89 THR MG 4.320 . 4.320 3.310 2.831 4.030 . 0 0 "[ . 1 . 2]" 1
582 1 38 ASP H 1 89 THR MG 4.260 . 4.260 2.734 2.517 3.036 . 0 0 "[ . 1 . 2]" 1
583 1 38 ASP HA 1 89 THR MG 3.240 . 3.240 2.604 2.254 2.733 . 0 0 "[ . 1 . 2]" 1
584 1 88 VAL HA 1 89 THR MG 3.940 . 3.940 3.622 3.525 3.711 . 0 0 "[ . 1 . 2]" 1
585 1 89 THR H 1 89 THR MG 3.280 . 3.280 2.024 1.922 2.123 . 0 0 "[ . 1 . 2]" 1
586 1 89 THR MG 1 90 HIS H 4.050 . 4.050 3.789 3.709 3.944 . 0 0 "[ . 1 . 2]" 1
587 1 89 THR MG 1 91 ASP H 4.690 . 4.690 4.369 4.196 4.535 . 0 0 "[ . 1 . 2]" 1
588 1 89 THR MG 1 92 GLN H 5.010 . 5.010 4.177 4.043 4.289 . 0 0 "[ . 1 . 2]" 1
589 1 55 ILE MD 1 90 HIS HA 4.050 . 4.050 3.440 2.206 3.828 . 0 0 "[ . 1 . 2]" 1
590 1 90 HIS HA 1 93 ALA H 5.080 . 5.080 3.557 3.416 3.710 . 0 0 "[ . 1 . 2]" 1
591 1 90 HIS HA 1 93 ALA MB 4.140 . 4.140 3.152 2.683 3.432 . 0 0 "[ . 1 . 2]" 1
592 1 90 HIS H 1 90 HIS HB2 . . 4.370 2.496 2.377 2.587 . 0 0 "[ . 1 . 2]" 1
593 1 90 HIS H 1 90 HIS HB3 . . 4.310 2.524 2.437 2.676 . 0 0 "[ . 1 . 2]" 1
594 1 90 HIS HB2 1 91 ASP H . . 4.310 3.783 3.638 3.862 . 0 0 "[ . 1 . 2]" 1
595 1 90 HIS HB3 1 91 ASP H . . 4.110 2.553 2.432 2.702 . 0 0 "[ . 1 . 2]" 1
596 1 91 ASP HA 1 92 GLN H 4.570 . 4.570 3.487 3.468 3.506 . 0 0 "[ . 1 . 2]" 1
597 1 90 HIS HD2 1 91 ASP HA 5.120 . 5.120 4.837 4.555 5.034 . 0 0 "[ . 1 . 2]" 1
598 1 91 ASP HA 1 94 ARG H 4.180 . 4.180 3.233 3.086 3.365 . 0 0 "[ . 1 . 2]" 1
599 1 91 ASP HA 1 94 ARG HB2 3.820 . 3.820 2.915 2.550 3.036 . 0 0 "[ . 1 . 2]" 1
600 1 91 ASP HA 1 94 ARG HG3 4.870 . 4.870 4.916 4.419 5.067 0.197 17 0 "[ . 1 . 2]" 1
601 1 91 ASP HA 1 94 ARG QD 4.680 . 4.680 3.738 2.637 4.237 . 0 0 "[ . 1 . 2]" 1
602 1 91 ASP HA 1 94 ARG HB3 3.990 . 3.990 2.333 1.999 2.673 . 0 0 "[ . 1 . 2]" 1
603 1 91 ASP H 1 91 ASP QB 3.510 . 3.510 2.343 2.160 2.737 . 0 0 "[ . 1 . 2]" 1
604 1 91 ASP QB 1 92 GLN H . . 4.190 2.950 2.786 3.518 . 0 0 "[ . 1 . 2]" 1
605 1 88 VAL QG 1 92 GLN HA 5.010 . 5.010 4.038 3.912 4.611 . 0 0 "[ . 1 . 2]" 1
606 1 92 GLN HA 1 92 GLN QG 3.430 . 3.430 2.824 2.273 2.961 . 0 0 "[ . 1 . 2]" 1
607 1 92 GLN HA 1 93 ALA H 4.740 . 4.740 3.533 3.465 3.556 . 0 0 "[ . 1 . 2]" 1
608 1 92 GLN HA 1 95 LYS H . . 3.940 3.810 3.583 3.979 0.039 5 0 "[ . 1 . 2]" 1
609 1 92 GLN HA 1 96 ARG H 5.020 . 5.020 4.338 3.839 4.619 . 0 0 "[ . 1 . 2]" 1
610 1 88 VAL HA 1 92 GLN HB3 5.100 . 5.100 4.539 4.061 5.032 . 0 0 "[ . 1 . 2]" 1
611 1 88 VAL HA 1 92 GLN HB2 5.090 . 5.090 5.035 4.592 5.235 0.145 5 0 "[ . 1 . 2]" 1
612 1 89 THR H 1 92 GLN HB3 4.620 . 4.620 3.061 2.846 3.238 . 0 0 "[ . 1 . 2]" 1
613 1 89 THR H 1 92 GLN HB2 4.470 . 4.470 3.262 2.740 3.581 . 0 0 "[ . 1 . 2]" 1
614 1 92 GLN H 1 92 GLN HB2 . . 4.310 2.626 2.406 2.775 . 0 0 "[ . 1 . 2]" 1
615 1 92 GLN HB3 1 93 ALA MB . . 4.120 3.727 3.578 3.880 . 0 0 "[ . 1 . 2]" 1
616 1 89 THR H 1 92 GLN QG . . 3.630 3.709 3.532 3.836 0.206 3 0 "[ . 1 . 2]" 1
617 1 92 GLN H 1 92 GLN QG . . 3.510 3.874 3.839 3.906 0.396 13 0 "[ . 1 . 2]" 1
618 1 92 GLN QG 1 93 ALA H 4.700 . 4.700 3.253 3.112 3.604 . 0 0 "[ . 1 . 2]" 1
619 1 85 MET ME 1 93 ALA HA . . 3.130 1.939 1.770 2.374 0.030 2 0 "[ . 1 . 2]" 1
620 1 92 GLN QG 1 93 ALA HA 4.780 . 4.780 3.297 3.113 3.884 . 0 0 "[ . 1 . 2]" 1
621 1 93 ALA HA 1 96 ARG H 4.710 . 4.710 3.477 3.137 3.765 . 0 0 "[ . 1 . 2]" 1
622 1 93 ALA HA 1 96 ARG QB 4.590 . 4.590 2.763 2.383 3.027 . 0 0 "[ . 1 . 2]" 1
623 1 33 ILE MD 1 93 ALA MB 3.300 . 3.300 2.726 2.471 3.182 . 0 0 "[ . 1 . 2]" 1
624 1 93 ALA MB 1 94 ARG H 3.590 . 3.590 2.619 2.461 2.736 . 0 0 "[ . 1 . 2]" 1
625 1 93 ALA MB 1 94 ARG HA 4.440 . 4.440 3.824 3.730 3.921 . 0 0 "[ . 1 . 2]" 1
626 1 91 ASP HA 1 94 ARG HA 5.000 . 5.000 4.955 4.674 5.101 0.101 8 0 "[ . 1 . 2]" 1
627 1 94 ARG HA 1 94 ARG HG3 3.980 . 3.980 2.515 2.321 2.653 . 0 0 "[ . 1 . 2]" 1
628 1 94 ARG HA 1 94 ARG QD 5.010 . 5.010 4.018 3.809 4.135 . 0 0 "[ . 1 . 2]" 1
629 1 94 ARG HA 1 97 LEU H 4.860 . 4.860 3.573 3.376 3.836 . 0 0 "[ . 1 . 2]" 1
630 1 94 ARG HA 1 97 LEU QD 4.990 . 4.990 2.646 1.836 3.415 . 0 0 "[ . 1 . 2]" 1
631 1 33 ILE MD 1 94 ARG HB2 5.010 . 5.010 3.290 3.034 3.476 . 0 0 "[ . 1 . 2]" 1
632 1 33 ILE MD 1 94 ARG HB3 4.700 . 4.700 4.644 4.387 4.824 0.124 2 0 "[ . 1 . 2]" 1
633 1 94 ARG H 1 94 ARG HB2 . . 3.850 2.347 2.228 2.426 . 0 0 "[ . 1 . 2]" 1
634 1 94 ARG H 1 94 ARG HB3 . . 3.810 2.701 2.567 2.829 . 0 0 "[ . 1 . 2]" 1
635 1 94 ARG H 1 94 ARG HG2 4.510 . 4.510 4.508 4.475 4.541 0.031 20 0 "[ . 1 . 2]" 1
636 1 94 ARG H 1 94 ARG HG3 4.820 . 4.820 4.312 4.201 4.401 . 0 0 "[ . 1 . 2]" 1
637 1 94 ARG HA 1 94 ARG HG2 4.190 . 4.190 2.893 2.598 3.210 . 0 0 "[ . 1 . 2]" 1
638 1 94 ARG HG3 1 95 LYS H 5.500 . 5.500 4.924 4.722 5.111 . 0 0 "[ . 1 . 2]" 1
639 1 3 TYR HA 1 3 TYR QD 4.500 . 4.500 2.995 2.345 3.761 . 0 0 "[ . 1 . 2]" 1
640 1 3 TYR QD 1 4 ILE H 5.190 . 5.190 3.466 2.934 4.078 . 0 0 "[ . 1 . 2]" 1
641 1 3 TYR QD 1 5 PRO HG3 5.500 . 5.500 3.410 2.045 5.545 0.045 15 0 "[ . 1 . 2]" 1
642 1 3 TYR QE 1 5 PRO HD3 5.500 . 5.500 4.146 3.532 4.723 . 0 0 "[ . 1 . 2]" 1
643 1 18 ILE HA 1 19 HIS HD2 5.110 . 5.110 3.232 2.864 3.609 . 0 0 "[ . 1 . 2]" 1
644 1 19 HIS H 1 19 HIS HD2 4.630 . 4.630 2.534 2.243 3.023 . 0 0 "[ . 1 . 2]" 1
645 1 19 HIS HB3 1 19 HIS HE1 5.500 . 5.500 4.726 4.708 4.741 . 0 0 "[ . 1 . 2]" 1
646 1 55 ILE HA 1 56 TYR QD 5.320 . 5.320 2.926 2.351 3.696 . 0 0 "[ . 1 . 2]" 1
647 1 56 TYR H 1 56 TYR QD . . 4.640 2.711 1.897 3.322 . 0 0 "[ . 1 . 2]" 1
648 1 83 TRP H 1 83 TRP HD1 . . 4.450 2.499 2.140 2.889 . 0 0 "[ . 1 . 2]" 1
649 1 83 TRP HA 1 83 TRP HE3 5.500 . 5.500 3.451 2.945 3.967 . 0 0 "[ . 1 . 2]" 1
650 1 36 GLY QA 1 90 HIS HD2 5.500 . 5.500 5.050 4.936 5.183 . 0 0 "[ . 1 . 2]" 1
651 1 33 ILE QG 1 90 HIS HE1 4.570 . 4.570 4.454 3.866 4.597 0.027 11 0 "[ . 1 . 2]" 1
652 1 33 ILE MG 1 90 HIS HE1 4.720 . 4.720 3.892 2.994 4.253 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLY H 1 90 HIS HE1 5.500 . 5.500 5.478 5.205 5.546 0.046 17 0 "[ . 1 . 2]" 1
654 1 34 GLY HA3 1 90 HIS HE1 4.380 . 4.380 4.176 3.940 4.986 0.606 19 3 "[ - 1 * . +2]" 1
655 1 35 GLY H 1 90 HIS HE1 . . 4.790 4.818 4.453 4.902 0.112 13 0 "[ . 1 . 2]" 1
656 1 90 HIS HE1 1 94 ARG HB2 5.350 . 5.350 5.157 4.946 5.412 0.062 5 0 "[ . 1 . 2]" 1
657 1 90 HIS HE1 1 94 ARG QD 5.500 . 5.500 3.798 3.290 4.583 . 0 0 "[ . 1 . 2]" 1
658 1 18 ILE MG 1 20 LYS HA 3.810 . 3.810 3.507 3.173 3.846 0.036 8 0 "[ . 1 . 2]" 1
659 1 85 MET ME 1 96 ARG QD 4.590 . 4.590 4.331 3.670 4.642 0.052 4 0 "[ . 1 . 2]" 1
660 1 7 GLN HB2 1 8 PRO HD3 4.610 . 4.610 4.741 4.319 5.019 0.409 6 0 "[ . 1 . 2]" 1
661 1 7 GLN QG 1 8 PRO HD3 3.940 . 3.940 3.844 3.382 4.110 0.170 8 0 "[ . 1 . 2]" 1
662 1 10 THR HA 1 11 ALA H 3.080 . 3.080 2.192 2.109 2.274 . 0 0 "[ . 1 . 2]" 1
663 1 78 MET ME 1 86 THR HB 4.830 . 4.830 4.716 4.081 4.915 0.085 17 0 "[ . 1 . 2]" 1
664 1 8 PRO HD2 1 10 THR MG 4.570 . 4.570 4.488 3.532 4.672 0.102 4 0 "[ . 1 . 2]" 1
665 1 11 ALA MB 1 110 THR HA 4.810 . 4.810 4.282 3.775 4.578 . 0 0 "[ . 1 . 2]" 1
666 1 11 ALA MB 1 111 ARG H 4.380 . 4.380 3.733 3.178 4.008 . 0 0 "[ . 1 . 2]" 1
667 1 11 ALA MB 1 112 GLN HB3 3.750 . 3.750 2.689 2.129 3.207 . 0 0 "[ . 1 . 2]" 1
668 1 12 VAL QG 1 111 ARG H 5.000 . 5.000 3.621 3.144 4.271 . 0 0 "[ . 1 . 2]" 1
669 1 13 VAL QG 1 110 THR HA . . 4.150 2.722 2.541 2.996 . 0 0 "[ . 1 . 2]" 1
670 1 13 VAL QG 1 110 THR HB . . 4.220 4.058 3.798 4.207 . 0 0 "[ . 1 . 2]" 1
671 1 14 GLN HB2 1 109 VAL QG 3.800 . 3.800 3.908 3.746 4.062 0.262 16 0 "[ . 1 . 2]" 1
672 1 14 GLN QG 1 109 VAL QG . . 3.870 1.806 1.594 3.467 0.206 18 0 "[ . 1 . 2]" 1
673 1 15 ARG HA 1 109 VAL H 4.570 . 4.570 2.936 2.287 3.461 . 0 0 "[ . 1 . 2]" 1
674 1 15 ARG QD 1 108 LEU QD 3.700 . 3.700 3.169 2.098 3.930 0.230 8 0 "[ . 1 . 2]" 1
675 1 15 ARG HG2 1 108 LEU QD 3.640 . 3.640 2.628 2.026 3.663 0.023 20 0 "[ . 1 . 2]" 1
676 1 16 VAL HB 1 107 LEU HG 5.050 . 5.050 3.667 2.113 5.199 0.149 17 0 "[ . 1 . 2]" 1
677 1 14 GLN QE 1 16 VAL QG . . 4.960 1.268 0.952 1.852 0.848 7 14 "[-**** + *** **.*** 2]" 1
678 1 16 VAL QG 1 107 LEU H . . 4.280 3.732 3.418 4.065 . 0 0 "[ . 1 . 2]" 1
679 1 16 VAL QG 1 69 ALA MB . . 2.960 1.623 1.497 2.239 0.303 8 0 "[ . 1 . 2]" 1
680 1 16 VAL QG 1 71 LEU H 4.710 . 4.710 3.466 2.983 3.952 . 0 0 "[ . 1 . 2]" 1
681 1 16 VAL QG 1 71 LEU HA 4.380 . 4.380 2.802 2.411 3.203 . 0 0 "[ . 1 . 2]" 1
682 1 16 VAL QG 1 71 LEU QB 4.300 . 4.300 2.401 1.934 3.760 . 0 0 "[ . 1 . 2]" 1
683 1 16 VAL QG 1 71 LEU QD 4.590 . 4.590 1.991 1.627 2.351 0.173 12 0 "[ . 1 . 2]" 1
684 1 17 GLU HA 1 107 LEU H 4.470 . 4.470 3.235 3.105 3.383 . 0 0 "[ . 1 . 2]" 1
685 1 15 ARG QD 1 17 GLU QB 4.790 . 4.790 3.712 2.306 4.861 0.071 18 0 "[ . 1 . 2]" 1
686 1 17 GLU HG3 1 106 ARG HG2 5.110 . 5.110 4.440 3.981 4.911 . 0 0 "[ . 1 . 2]" 1
687 1 18 ILE HB 1 68 ILE MG 4.590 . 4.590 4.420 4.100 4.640 0.050 14 0 "[ . 1 . 2]" 1
688 1 18 ILE MG 1 65 PRO HB2 . . 3.730 1.859 1.776 2.122 0.024 4 0 "[ . 1 . 2]" 1
689 1 20 LYS HA 1 27 LEU QD 4.190 . 4.190 3.591 2.022 4.354 0.164 8 0 "[ . 1 . 2]" 1
690 1 20 LYS QG 1 27 LEU QD 4.600 . 4.600 2.459 1.781 3.259 0.019 18 0 "[ . 1 . 2]" 1
691 1 23 GLN HB3 1 26 ASN HB2 . . 4.790 2.905 1.864 4.573 . 0 0 "[ . 1 . 2]" 1
692 1 23 GLN HB2 1 26 ASN HB2 4.880 . 4.880 3.452 1.860 4.994 0.114 1 0 "[ . 1 . 2]" 1
693 1 23 GLN HB3 1 28 ILE MD 3.980 . 3.980 3.040 2.279 4.159 0.179 9 0 "[ . 1 . 2]" 1
694 1 23 GLN HB2 1 28 ILE MD 3.810 . 3.810 2.396 1.776 3.752 0.024 5 0 "[ . 1 . 2]" 1
695 1 23 GLN QG 1 28 ILE MD 3.690 . 3.690 2.876 1.770 3.593 0.030 18 0 "[ . 1 . 2]" 1
696 1 24 GLY HA3 1 26 ASN H . . 4.410 3.823 3.651 4.014 . 0 0 "[ . 1 . 2]" 1
697 1 24 GLY HA2 1 26 ASN H . . 4.640 4.711 4.620 4.794 0.154 6 0 "[ . 1 . 2]" 1
698 1 25 GLU QG 1 26 ASN H 5.500 . 5.500 4.218 3.161 4.395 . 0 0 "[ . 1 . 2]" 1
699 1 48 GLU QB 1 49 ASP QB 4.700 . 4.700 3.146 2.682 4.251 . 0 0 "[ . 1 . 2]" 1
700 1 41 PRO HB2 1 42 SER QB 4.310 . 4.310 4.387 4.019 4.576 0.266 6 0 "[ . 1 . 2]" 1
701 1 44 ASN H 1 45 PRO HB2 4.970 . 4.970 5.052 4.297 5.332 0.362 9 0 "[ . 1 . 2]" 1
702 1 37 ILE HG12 1 55 ILE MD . . 4.030 4.206 3.881 4.372 0.342 12 0 "[ . 1 . 2]" 1
703 1 55 ILE MG 1 77 ILE HB 4.330 . 4.330 1.877 1.700 2.453 0.100 9 0 "[ . 1 . 2]" 1
704 1 56 TYR HA 1 76 LYS HA 4.180 . 4.180 2.474 2.036 2.851 . 0 0 "[ . 1 . 2]" 1
705 1 78 MET HB3 1 108 LEU QB 4.280 . 4.280 4.039 3.515 5.011 0.731 20 1 "[ . 1 . +]" 1
706 1 57 VAL HB 1 75 ASP H . . 3.880 3.624 1.711 3.980 0.100 19 0 "[ . 1 . 2]" 1
707 1 57 VAL QG 1 74 GLY H . . 4.150 2.278 2.117 2.776 . 0 0 "[ . 1 . 2]" 1
708 1 57 VAL QG 1 75 ASP H . . 3.720 1.743 1.609 2.813 0.191 19 0 "[ . 1 . 2]" 1
709 1 57 VAL QG 1 75 ASP QB 4.220 . 4.220 1.947 1.728 2.553 0.072 16 0 "[ . 1 . 2]" 1
710 1 58 THR MG 1 59 ARG H 3.830 . 3.830 3.923 3.860 3.982 0.152 15 0 "[ . 1 . 2]" 1
711 1 58 THR MG 1 59 ARG HG2 3.980 . 3.980 3.963 3.411 4.276 0.296 14 0 "[ . 1 . 2]" 1
712 1 59 ARG HA 1 73 ILE MD . . 4.180 3.695 2.254 4.263 0.083 7 0 "[ . 1 . 2]" 1
713 1 59 ARG HG2 1 60 VAL H . . 3.990 3.294 3.025 3.600 . 0 0 "[ . 1 . 2]" 1
714 1 50 LYS H 1 51 THR HA 5.270 . 5.270 4.916 4.141 5.309 0.039 13 0 "[ . 1 . 2]" 1
715 1 60 VAL QG 1 71 LEU QD . . 4.160 2.490 2.005 3.237 . 0 0 "[ . 1 . 2]" 1
716 1 60 VAL QG 1 71 LEU QB 4.570 . 4.570 1.983 1.767 2.665 0.033 5 0 "[ . 1 . 2]" 1
717 1 60 VAL QG 1 72 GLN HA 4.250 . 4.250 3.113 2.061 4.031 . 0 0 "[ . 1 . 2]" 1
718 1 60 VAL QG 1 73 ILE HA 4.550 . 4.550 2.581 2.271 3.175 . 0 0 "[ . 1 . 2]" 1
719 1 64 GLY HA2 1 65 PRO HB3 4.530 . 4.530 4.693 4.522 5.437 0.907 19 1 "[ . 1 . +2]" 1
720 1 18 ILE QG 1 65 PRO HB2 4.450 . 4.450 1.950 1.746 2.805 0.054 6 0 "[ . 1 . 2]" 1
721 1 21 LEU H 1 65 PRO HG2 4.630 . 4.630 4.534 3.607 4.711 0.081 17 0 "[ . 1 . 2]" 1
722 1 66 ALA HA 1 71 LEU QD 5.060 . 5.060 3.711 2.195 4.044 . 0 0 "[ . 1 . 2]" 1
723 1 66 ALA MB 1 71 LEU H . . 4.160 3.703 3.342 3.985 . 0 0 "[ . 1 . 2]" 1
724 1 66 ALA MB 1 71 LEU QB 3.620 . 3.620 2.172 1.841 2.340 . 0 0 "[ . 1 . 2]" 1
725 1 66 ALA MB 1 71 LEU QD 3.260 . 3.260 2.283 1.777 2.404 0.023 12 0 "[ . 1 . 2]" 1
726 1 67 GLU HA 1 71 LEU H 5.020 . 5.020 2.926 2.418 3.350 . 0 0 "[ . 1 . 2]" 1
727 1 16 VAL QG 1 69 ALA HA . . 4.610 3.674 3.450 3.878 . 0 0 "[ . 1 . 2]" 1
728 1 17 GLU H 1 69 ALA MB 4.100 . 4.100 2.277 1.927 2.731 . 0 0 "[ . 1 . 2]" 1
729 1 18 ILE H 1 69 ALA MB 3.850 . 3.850 3.839 3.691 3.929 0.079 15 0 "[ . 1 . 2]" 1
730 1 69 ALA MB 1 71 LEU H 4.210 . 4.210 4.037 3.356 4.273 0.063 15 0 "[ . 1 . 2]" 1
731 1 69 ALA MB 1 71 LEU QD 4.800 . 4.800 4.058 2.911 4.281 . 0 0 "[ . 1 . 2]" 1
732 1 16 VAL QG 1 70 GLY HA2 5.010 . 5.010 4.221 3.860 4.599 . 0 0 "[ . 1 . 2]" 1
733 1 71 LEU HG 1 72 GLN QG 4.810 . 4.810 4.708 4.080 4.976 0.166 10 0 "[ . 1 . 2]" 1
734 1 60 VAL QG 1 73 ILE MD 4.180 . 4.180 2.872 1.656 3.639 0.144 12 0 "[ . 1 . 2]" 1
735 1 60 VAL H 1 73 ILE MD 4.240 . 4.240 3.360 2.109 4.111 . 0 0 "[ . 1 . 2]" 1
736 1 60 VAL HB 1 73 ILE MD 5.070 . 5.070 2.881 1.807 4.050 . 0 0 "[ . 1 . 2]" 1
737 1 59 ARG HA 1 73 ILE HG12 5.100 . 5.100 2.948 2.269 3.431 . 0 0 "[ . 1 . 2]" 1
738 1 59 ARG HA 1 73 ILE MG . . 3.870 1.911 1.710 3.902 0.090 8 0 "[ . 1 . 2]" 1
739 1 94 ARG HB3 1 95 LYS HA 3.910 . 3.910 3.999 3.956 4.049 0.139 7 0 "[ . 1 . 2]" 1
740 1 80 VAL QG 1 96 ARG HA 4.730 . 4.730 3.969 3.742 4.173 . 0 0 "[ . 1 . 2]" 1
741 1 80 VAL QG 1 96 ARG QD 4.290 . 4.290 4.205 3.927 4.390 0.100 10 0 "[ . 1 . 2]" 1
742 1 80 VAL QG 1 96 ARG HG2 4.280 . 4.280 3.745 3.318 4.169 . 0 0 "[ . 1 . 2]" 1
743 1 85 MET ME 1 96 ARG HG2 . . 3.710 3.350 2.750 3.746 0.036 4 0 "[ . 1 . 2]" 1
744 1 99 LYS HA 1 100 ARG HA 4.660 . 4.660 4.649 4.311 5.018 0.358 13 0 "[ . 1 . 2]" 1
745 1 33 ILE MG 1 94 ARG HB2 4.360 . 4.360 4.160 3.928 4.378 0.018 7 0 "[ . 1 . 2]" 1
746 1 19 HIS HB2 1 104 VAL MG2 4.410 . 4.410 4.446 4.341 4.499 0.089 9 0 "[ . 1 . 2]" 1
747 1 19 HIS HE1 1 104 VAL MG1 . . 4.120 4.135 3.950 4.193 0.073 6 0 "[ . 1 . 2]" 1
748 1 20 LYS H 1 104 VAL MG1 5.500 . 5.500 5.035 4.706 5.275 . 0 0 "[ . 1 . 2]" 1
749 1 19 HIS HD2 1 104 VAL MG1 4.930 . 4.930 4.884 4.481 4.991 0.061 12 0 "[ . 1 . 2]" 1
750 1 19 HIS HD2 1 104 VAL MG2 . . 4.610 2.539 2.360 2.824 . 0 0 "[ . 1 . 2]" 1
751 1 18 ILE H 1 105 VAL MG1 3.660 . 3.660 3.635 2.870 3.797 0.137 14 0 "[ . 1 . 2]" 1
752 1 81 ASN QD 1 105 VAL MG2 . . 4.170 2.580 1.941 3.094 . 0 0 "[ . 1 . 2]" 1
753 1 15 ARG HA 1 108 LEU QD 3.930 . 3.930 3.028 2.711 3.185 . 0 0 "[ . 1 . 2]" 1
754 1 77 ILE HA 1 109 VAL HA 4.860 . 4.860 1.873 1.710 2.055 0.090 11 0 "[ . 1 . 2]" 1
755 1 78 MET QG 1 109 VAL HA . . 4.820 3.166 2.812 3.529 . 0 0 "[ . 1 . 2]" 1
756 1 14 GLN QE 1 109 VAL QG . . 4.820 1.886 1.234 2.839 0.566 16 1 "[ . 1 .+ 2]" 1
757 1 16 VAL H 1 109 VAL QG 4.980 . 4.980 4.036 3.248 4.576 . 0 0 "[ . 1 . 2]" 1
758 1 76 LYS H 1 109 VAL QG . . 5.000 2.997 2.533 3.983 . 0 0 "[ . 1 . 2]" 1
759 1 77 ILE HA 1 109 VAL QG 4.010 . 4.010 2.271 1.955 2.694 . 0 0 "[ . 1 . 2]" 1
760 1 13 VAL HA 1 110 THR HA 4.000 . 4.000 1.893 1.577 2.100 0.223 19 0 "[ . 1 . 2]" 1
761 1 14 GLN H 1 110 THR HA . . 4.500 2.837 2.687 2.946 . 0 0 "[ . 1 . 2]" 1
762 1 12 VAL H 1 110 THR HA 5.190 . 5.190 4.883 4.743 5.213 0.023 9 0 "[ . 1 . 2]" 1
763 1 78 MET QG 1 110 THR HB 4.630 . 4.630 4.340 4.119 4.627 . 0 0 "[ . 1 . 2]" 1
764 1 109 VAL HA 1 110 THR HB 5.070 . 5.070 5.141 4.942 5.272 0.202 3 0 "[ . 1 . 2]" 1
765 1 13 VAL H 1 110 THR MG 4.710 . 4.710 3.613 3.147 4.110 . 0 0 "[ . 1 . 2]" 1
766 1 13 VAL HA 1 110 THR MG 3.650 . 3.650 2.559 2.340 2.790 . 0 0 "[ . 1 . 2]" 1
767 1 13 VAL QG 1 110 THR MG 3.310 . 3.310 1.715 1.653 1.792 0.147 7 0 "[ . 1 . 2]" 1
768 1 14 GLN H 1 110 THR MG 4.060 . 4.060 4.162 4.041 4.261 0.201 2 0 "[ . 1 . 2]" 1
769 1 12 VAL H 1 110 THR MG 4.430 . 4.430 3.469 3.152 3.880 . 0 0 "[ . 1 . 2]" 1
770 1 78 MET QG 1 110 THR MG 3.370 . 3.370 3.472 3.111 3.650 0.280 20 0 "[ . 1 . 2]" 1
771 1 12 VAL QG 1 111 ARG HB2 5.040 . 5.040 4.330 2.825 5.116 0.076 16 0 "[ . 1 . 2]" 1
772 1 14 GLN H 1 111 ARG HB3 4.530 . 4.530 3.295 2.663 4.803 0.273 4 0 "[ . 1 . 2]" 1
773 1 14 GLN H 1 111 ARG HB2 4.750 . 4.750 4.000 2.740 4.892 0.142 1 0 "[ . 1 . 2]" 1
774 1 12 VAL QG 1 111 ARG QD 5.080 . 5.080 3.085 2.355 4.088 . 0 0 "[ . 1 . 2]" 1
775 1 72 GLN QE 1 111 ARG QD 4.230 . 4.230 2.694 1.749 3.571 0.051 15 0 "[ . 1 . 2]" 1
776 1 112 GLN HA 1 113 SER QB 4.200 . 4.200 4.274 4.021 4.481 0.281 3 0 "[ . 1 . 2]" 1
777 1 11 ALA MB 1 112 GLN HG3 4.670 . 4.670 4.597 3.959 5.204 0.534 20 1 "[ . 1 . +]" 1
778 1 112 GLN HB3 1 113 SER QB 5.020 . 5.020 4.631 4.345 4.927 . 0 0 "[ . 1 . 2]" 1
779 1 80 VAL QG 1 96 ARG QB 4.370 . 4.370 1.936 1.707 2.196 0.093 3 0 "[ . 1 . 2]" 1
780 1 92 GLN QG 1 93 ALA MB 4.570 . 4.570 3.734 3.518 4.141 . 0 0 "[ . 1 . 2]" 1
781 1 77 ILE HA 1 109 VAL HB 5.000 . 5.000 3.951 3.504 4.702 . 0 0 "[ . 1 . 2]" 1
782 1 56 TYR QD 1 77 ILE MD 4.040 . 4.040 4.252 4.147 4.322 0.282 12 0 "[ . 1 . 2]" 1
783 1 78 MET HB2 1 108 LEU QD 4.590 . 4.590 2.265 2.043 3.871 . 0 0 "[ . 1 . 2]" 1
784 1 78 MET ME 1 86 THR HA 4.080 . 4.080 3.074 2.557 4.188 0.108 20 0 "[ . 1 . 2]" 1
785 1 78 MET ME 1 86 THR MG 2.900 . 2.900 2.912 2.396 3.042 0.142 12 0 "[ . 1 . 2]" 1
786 1 78 MET ME 1 79 GLN H 4.120 . 4.120 4.204 4.133 4.304 0.184 8 0 "[ . 1 . 2]" 1
787 1 78 MET QG 1 108 LEU QB 4.690 . 4.690 3.959 2.348 4.257 . 0 0 "[ . 1 . 2]" 1
788 1 78 MET QG 1 108 LEU QD 4.350 . 4.350 2.937 2.489 3.067 . 0 0 "[ . 1 . 2]" 1
789 1 79 GLN HA 1 85 MET HG3 4.380 . 4.380 3.968 2.794 4.678 0.298 11 0 "[ . 1 . 2]" 1
790 1 79 GLN HA 1 85 MET HG2 4.660 . 4.660 2.950 1.712 4.095 0.088 8 0 "[ . 1 . 2]" 1
791 1 79 GLN HA 1 84 ASP HA 4.160 . 4.160 2.839 2.214 3.175 . 0 0 "[ . 1 . 2]" 1
792 1 79 GLN HA 1 85 MET H 4.450 . 4.450 2.099 1.832 2.415 . 0 0 "[ . 1 . 2]" 1
793 1 79 GLN HB2 1 108 LEU QB 4.190 . 4.190 3.204 1.657 3.433 0.143 13 0 "[ . 1 . 2]" 1
794 1 79 GLN HB3 1 108 LEU QB 4.090 . 4.090 1.815 1.668 3.130 0.132 5 0 "[ . 1 . 2]" 1
795 1 79 GLN HB2 1 108 LEU QD 4.250 . 4.250 3.017 2.637 3.377 . 0 0 "[ . 1 . 2]" 1
796 1 79 GLN QG 1 84 ASP HA 4.520 . 4.520 3.794 2.196 4.130 . 0 0 "[ . 1 . 2]" 1
797 1 79 GLN QG 1 108 LEU QB 4.690 . 4.690 2.367 2.105 2.672 . 0 0 "[ . 1 . 2]" 1
798 1 79 GLN QG 1 108 LEU QD 4.380 . 4.380 3.246 1.889 3.531 . 0 0 "[ . 1 . 2]" 1
799 1 83 TRP HA 1 84 ASP QB 3.960 . 3.960 3.897 3.812 4.118 0.158 2 0 "[ . 1 . 2]" 1
800 1 80 VAL QG 1 83 TRP HB2 4.890 . 4.890 2.793 2.426 3.466 . 0 0 "[ . 1 . 2]" 1
801 1 80 VAL QG 1 83 TRP HB3 4.820 . 4.820 3.983 3.552 4.615 . 0 0 "[ . 1 . 2]" 1
802 1 78 MET HA 1 86 THR MG . . 3.660 3.621 3.341 3.756 0.096 16 0 "[ . 1 . 2]" 1
803 1 85 MET ME 1 92 GLN HE21 4.670 . 4.670 4.754 4.609 4.871 0.201 3 0 "[ . 1 . 2]" 1
804 1 85 MET ME 1 96 ARG QB 3.610 . 3.610 2.881 2.420 3.489 . 0 0 "[ . 1 . 2]" 1
805 1 79 GLN HA 1 85 MET ME 4.330 . 4.330 3.905 3.540 4.299 . 0 0 "[ . 1 . 2]" 1
806 1 80 VAL H 1 85 MET ME 3.900 . 3.900 3.176 2.656 3.669 . 0 0 "[ . 1 . 2]" 1
807 1 80 VAL QG 1 85 MET ME 2.640 . 2.640 2.025 1.727 2.435 0.073 19 0 "[ . 1 . 2]" 1
808 1 83 TRP HB2 1 85 MET ME 3.710 . 3.710 1.937 1.757 2.228 0.043 7 0 "[ . 1 . 2]" 1
809 1 84 ASP HA 1 85 MET ME 4.480 . 4.480 4.586 4.500 4.686 0.206 17 0 "[ . 1 . 2]" 1
810 1 85 MET ME 1 93 ALA H 4.010 . 4.010 3.746 3.582 3.926 . 0 0 "[ . 1 . 2]" 1
811 1 85 MET ME 1 93 ALA MB 2.990 . 2.990 2.477 2.052 2.999 0.009 9 0 "[ . 1 . 2]" 1
812 1 83 TRP HE3 1 85 MET ME . . 4.050 3.918 3.356 4.148 0.098 13 0 "[ . 1 . 2]" 1
813 1 85 MET HB3 1 88 VAL QG 4.780 . 4.780 3.021 1.744 3.813 0.056 12 0 "[ . 1 . 2]" 1
814 1 85 MET HB2 1 88 VAL QG 4.410 . 4.410 3.811 1.874 4.566 0.156 3 0 "[ . 1 . 2]" 1
815 1 93 ALA HA 1 94 ARG H . . 4.390 3.497 3.461 3.536 . 0 0 "[ . 1 . 2]" 1
816 1 55 ILE MG 1 93 ALA MB 3.410 . 3.410 2.228 1.762 2.568 0.038 19 0 "[ . 1 . 2]" 1
817 1 17 GLU HG3 1 19 HIS HD2 4.870 . 4.870 4.942 4.898 4.985 0.115 14 0 "[ . 1 . 2]" 1
818 1 17 GLU HG2 1 19 HIS HD2 4.850 . 4.850 3.951 3.554 4.532 . 0 0 "[ . 1 . 2]" 1
819 1 59 ARG H 1 73 ILE MG 5.500 . 5.500 3.695 2.982 4.246 . 0 0 "[ . 1 . 2]" 1
820 1 19 HIS HE1 1 104 VAL HB 5.500 . 5.500 3.299 3.105 3.574 . 0 0 "[ . 1 . 2]" 1
821 1 56 TYR QD 1 57 VAL HA 5.500 . 5.500 5.379 5.198 5.727 0.227 16 0 "[ . 1 . 2]" 1
822 1 55 ILE HG13 1 56 TYR QE 5.480 . 5.480 5.615 5.122 5.796 0.316 20 0 "[ . 1 . 2]" 1
823 1 80 VAL QG 1 83 TRP HD1 5.380 . 5.380 3.313 2.996 3.588 . 0 0 "[ . 1 . 2]" 1
824 1 81 ASN QB 1 83 TRP HD1 5.230 . 5.230 2.713 2.048 3.187 . 0 0 "[ . 1 . 2]" 1
825 1 83 TRP HD1 1 96 ARG QD 5.500 . 5.500 3.717 3.439 4.198 . 0 0 "[ . 1 . 2]" 1
826 1 113 SER HA 1 115 GLN QB 4.450 . 4.450 4.159 3.661 4.427 . 0 0 "[ . 1 . 2]" 1
827 1 18 ILE MG 1 65 PRO HA 3.820 . 3.820 3.867 3.821 3.925 0.105 5 0 "[ . 1 . 2]" 1
828 1 23 GLN QG 1 25 GLU H 4.810 . 4.810 4.898 4.753 5.121 0.311 7 0 "[ . 1 . 2]" 1
829 1 37 ILE HB 1 87 MET HB2 5.010 . 5.010 4.960 4.380 5.247 0.237 12 0 "[ . 1 . 2]" 1
830 1 50 LYS QB 1 51 THR HB 4.970 . 4.970 4.841 4.050 5.357 0.387 16 0 "[ . 1 . 2]" 1
831 1 16 VAL QG 1 66 ALA MB 3.590 . 3.590 3.460 3.170 3.666 0.076 6 0 "[ . 1 . 2]" 1
832 1 18 ILE MG 1 69 ALA MB 3.220 . 3.220 3.040 2.767 3.274 0.054 15 0 "[ . 1 . 2]" 1
833 1 16 VAL QG 1 70 GLY HA3 4.940 . 4.940 3.512 2.853 3.980 . 0 0 "[ . 1 . 2]" 1
834 1 83 TRP HB2 1 96 ARG QD 4.690 . 4.690 4.644 3.978 4.881 0.191 1 0 "[ . 1 . 2]" 1
835 1 98 THR HA 1 99 LYS QE 4.550 . 4.550 4.695 4.578 4.824 0.274 10 0 "[ . 1 . 2]" 1
836 1 98 THR MG 1 100 ARG HA 4.840 . 4.840 4.520 2.734 5.053 0.213 1 0 "[ . 1 . 2]" 1
837 1 33 ILE MG 1 94 ARG QD 3.990 . 3.990 3.709 2.980 4.058 0.068 13 0 "[ . 1 . 2]" 1
838 1 14 GLN H 1 111 ARG QD 4.550 . 4.550 4.258 3.910 4.457 . 0 0 "[ . 1 . 2]" 1
839 1 52 ASP HA 1 53 LYS QE 4.090 . 4.090 3.958 2.795 4.327 0.237 10 0 "[ . 1 . 2]" 1
840 1 89 THR MG 1 92 GLN QG 4.970 . 4.970 4.752 4.471 4.902 . 0 0 "[ . 1 . 2]" 1
841 1 91 ASP QB 1 95 LYS HG3 5.160 . 5.160 5.047 4.406 5.214 0.054 20 0 "[ . 1 . 2]" 1
842 1 92 GLN HA 1 96 ARG HG2 4.140 . 4.140 3.815 3.296 4.214 0.074 1 0 "[ . 1 . 2]" 1
843 1 18 ILE QG 1 19 HIS HD2 5.500 . 5.500 4.583 4.188 5.015 . 0 0 "[ . 1 . 2]" 1
844 1 66 ALA MB 1 67 GLU HB2 4.930 . 4.930 4.163 3.876 4.485 . 0 0 "[ . 1 . 2]" 1
845 1 64 GLY H 1 67 GLU HB2 4.800 . 4.800 3.922 3.573 4.601 . 0 0 "[ . 1 . 2]" 1
846 1 10 THR HA 1 11 ALA MB 3.980 . 3.980 4.082 4.019 4.164 0.184 7 0 "[ . 1 . 2]" 1
847 1 13 VAL HB 1 14 GLN H . . 4.110 4.129 3.290 4.359 0.249 15 0 "[ . 1 . 2]" 1
848 1 26 ASN H 1 26 ASN HB3 3.820 . 3.820 3.687 3.283 3.792 . 0 0 "[ . 1 . 2]" 1
849 1 65 PRO HB2 1 68 ILE H 4.970 . 4.970 5.095 5.010 5.160 0.190 18 0 "[ . 1 . 2]" 1
850 1 104 VAL HB 1 106 ARG HD2 4.940 . 4.940 4.831 4.638 5.057 0.117 9 0 "[ . 1 . 2]" 1
851 1 109 VAL QG 1 110 THR HB 5.130 . 5.130 4.154 3.990 4.944 . 0 0 "[ . 1 . 2]" 1
852 1 112 GLN HA 1 113 SER H . . 3.410 3.481 2.906 3.574 0.164 6 0 "[ . 1 . 2]" 1
853 1 112 GLN HG2 1 113 SER HA 4.680 . 4.680 4.604 4.157 4.932 0.252 7 0 "[ . 1 . 2]" 1
854 1 78 MET H 1 78 MET ME 4.010 . 4.010 2.902 2.707 4.133 0.123 20 0 "[ . 1 . 2]" 1
855 1 92 GLN HA 1 93 ALA MB 5.080 . 5.080 5.008 4.978 5.030 . 0 0 "[ . 1 . 2]" 1
856 1 50 LYS QB 1 51 THR HA 3.910 . 3.910 4.062 3.869 4.249 0.339 13 0 "[ . 1 . 2]" 1
857 1 21 LEU HA 1 22 ARG QG 4.690 . 4.690 4.171 3.824 4.873 0.183 3 0 "[ . 1 . 2]" 1
858 1 64 GLY HA3 1 65 PRO HB3 5.030 . 5.030 5.168 4.832 5.972 0.942 19 1 "[ . 1 . +2]" 1
859 1 21 LEU H 1 65 PRO HG3 4.530 . 4.530 3.448 2.899 4.418 . 0 0 "[ . 1 . 2]" 1
860 1 72 GLN HA 1 73 ILE MG 5.120 . 5.120 5.137 4.542 5.232 0.112 5 0 "[ . 1 . 2]" 1
861 1 18 ILE H 1 105 VAL HB . . 3.960 3.325 3.204 3.501 . 0 0 "[ . 1 . 2]" 1
862 1 76 LYS H 1 110 THR HB 4.690 . 4.690 3.296 2.856 3.563 . 0 0 "[ . 1 . 2]" 1
863 1 113 SER QB 1 114 LEU H 3.790 . 3.790 3.709 2.163 3.988 0.198 14 0 "[ . 1 . 2]" 1
864 1 43 GLN H 1 44 ASN HB3 4.860 . 4.860 4.628 3.491 5.178 0.318 18 0 "[ . 1 . 2]" 1
865 1 102 GLU HA 1 104 VAL H 4.290 . 4.290 3.822 3.231 4.539 0.249 6 0 "[ . 1 . 2]" 1
866 1 41 PRO HA 1 43 GLN H 5.200 . 5.200 3.867 3.187 4.850 . 0 0 "[ . 1 . 2]" 1
867 1 14 GLN HA 1 14 GLN QE . . 5.320 4.140 3.518 4.778 . 0 0 "[ . 1 . 2]" 1
868 1 37 ILE H 1 88 VAL H 5.500 . 5.500 3.428 2.697 4.746 . 0 0 "[ . 1 . 2]" 1
869 1 35 GLY QA 1 55 ILE H 5.500 . 5.500 4.132 3.826 5.607 0.107 12 0 "[ . 1 . 2]" 1
870 1 25 GLU HA 1 26 ASN HD22 5.500 . 5.500 5.614 5.528 5.676 0.176 3 0 "[ . 1 . 2]" 1
871 1 23 GLN H 1 24 GLY HA2 5.500 . 5.500 5.373 5.188 5.501 0.001 5 0 "[ . 1 . 2]" 1
872 1 37 ILE HG12 1 90 HIS H . . 5.130 5.248 4.580 6.041 0.911 17 4 "[ * . * .-+ 2]" 1
873 1 39 GLN QG 1 90 HIS H 5.320 . 5.320 3.493 3.245 4.387 . 0 0 "[ . 1 . 2]" 1
874 1 39 GLN QB 1 90 HIS H 5.500 . 5.500 5.195 5.059 5.627 0.127 5 0 "[ . 1 . 2]" 1
875 1 36 GLY H 1 37 ILE MG 5.500 . 5.500 5.395 5.059 5.643 0.143 12 0 "[ . 1 . 2]" 1
876 1 35 GLY H 1 55 ILE MD 5.500 . 5.500 4.797 4.459 5.672 0.172 5 0 "[ . 1 . 2]" 1
877 1 35 GLY QA 1 56 TYR H 5.500 . 5.500 2.383 1.812 4.229 . 0 0 "[ . 1 . 2]" 1
878 1 118 VAL H 1 120 GLN HE21 5.500 . 5.500 4.876 4.078 6.262 0.762 1 1 "[+ . 1 . 2]" 1
879 1 114 LEU HA 1 115 GLN H 3.300 . 3.300 2.994 2.129 3.412 0.112 20 0 "[ . 1 . 2]" 1
880 1 112 GLN HB3 1 113 SER H 3.940 . 3.940 3.662 3.243 4.044 0.104 15 0 "[ . 1 . 2]" 1
881 1 64 GLY HA2 1 66 ALA H 4.560 . 4.560 4.613 4.169 5.345 0.785 16 3 "[ . 1 .+*- 2]" 1
882 1 122 MET ME 1 123 LEU H 4.570 . 4.570 3.768 2.452 4.636 0.066 5 0 "[ . 1 . 2]" 1
883 1 15 ARG H 1 16 VAL QG 4.590 . 4.590 4.364 3.901 4.537 . 0 0 "[ . 1 . 2]" 1
884 1 1 MET HA 1 2 SER H 5.500 . 5.500 2.813 2.122 3.587 . 0 0 "[ . 1 . 2]" 1
885 1 1 MET ME 1 2 SER H 5.020 . 5.020 4.466 3.663 5.058 0.038 15 0 "[ . 1 . 2]" 1
886 1 3 TYR HB3 1 4 ILE H 4.950 . 4.950 4.132 3.609 4.462 . 0 0 "[ . 1 . 2]" 1
887 1 3 TYR QE 1 4 ILE H 5.500 . 5.500 4.790 4.117 5.516 0.016 3 0 "[ . 1 . 2]" 1
888 1 4 ILE H 1 4 ILE HG13 4.540 . 4.540 3.075 2.065 4.490 . 0 0 "[ . 1 . 2]" 1
889 1 4 ILE H 1 4 ILE HG12 4.660 . 4.660 2.520 1.967 3.978 . 0 0 "[ . 1 . 2]" 1
890 1 4 ILE H 1 7 GLN QG 5.500 . 5.500 5.176 4.005 5.610 0.110 16 0 "[ . 1 . 2]" 1
891 1 7 GLN HA 1 7 GLN HE21 5.500 . 5.500 4.486 2.313 5.272 . 0 0 "[ . 1 . 2]" 1
892 1 8 PRO HB2 1 9 VAL H 4.510 . 4.510 3.030 1.783 4.099 0.017 10 0 "[ . 1 . 2]" 1
893 1 9 VAL HB 1 10 THR H 4.410 . 4.410 3.218 2.183 4.463 0.053 6 0 "[ . 1 . 2]" 1
894 1 9 VAL QG 1 10 THR H 4.170 . 4.170 2.993 2.615 3.420 . 0 0 "[ . 1 . 2]" 1
895 1 10 THR H 1 11 ALA HA 5.500 . 5.500 5.193 5.050 5.380 . 0 0 "[ . 1 . 2]" 1
896 1 11 ALA H 1 12 VAL H . . 4.290 4.465 4.394 4.551 0.261 4 0 "[ . 1 . 2]" 1
897 1 50 LYS H 1 50 LYS QD 4.220 . 4.220 2.850 1.685 4.312 0.115 11 0 "[ . 1 . 2]" 1
898 1 12 VAL HB 1 13 VAL H 4.310 . 4.310 3.711 2.449 4.359 0.049 1 0 "[ . 1 . 2]" 1
899 1 12 VAL H 1 13 VAL H 4.730 . 4.730 4.347 4.161 4.505 . 0 0 "[ . 1 . 2]" 1
900 1 13 VAL H 1 14 GLN H 5.010 . 5.010 4.331 4.131 4.471 . 0 0 "[ . 1 . 2]" 1
901 1 13 VAL HA 1 14 GLN H 3.570 . 3.570 2.102 2.006 2.156 . 0 0 "[ . 1 . 2]" 1
902 1 14 GLN H 1 15 ARG H . . 4.750 4.536 4.507 4.595 . 0 0 "[ . 1 . 2]" 1
903 1 14 GLN QE 1 15 ARG HA 5.500 . 5.500 2.918 2.234 3.943 . 0 0 "[ . 1 . 2]" 1
904 1 14 GLN QE 1 15 ARG H 5.500 . 5.500 3.194 2.352 3.777 . 0 0 "[ . 1 . 2]" 1
905 1 15 ARG H 1 16 VAL HA 3.500 . 3.500 4.832 4.618 5.123 1.623 12 20 [***********+****-***] 1
906 1 16 VAL H 1 17 GLU H 5.030 . 5.030 4.347 4.129 4.510 . 0 0 "[ . 1 . 2]" 1
907 1 17 GLU H 1 18 ILE H 5.080 . 5.080 4.146 4.037 4.324 . 0 0 "[ . 1 . 2]" 1
908 1 18 ILE H 1 18 ILE QG 4.340 . 4.340 4.280 4.232 4.348 0.008 6 0 "[ . 1 . 2]" 1
909 1 18 ILE H 1 18 ILE MD 4.220 . 4.220 4.293 4.242 4.348 0.128 13 0 "[ . 1 . 2]" 1
910 1 18 ILE HB 1 19 HIS H 5.000 . 5.000 4.128 3.908 4.345 . 0 0 "[ . 1 . 2]" 1
911 1 18 ILE MG 1 19 HIS H 3.950 . 3.950 3.443 3.161 3.678 . 0 0 "[ . 1 . 2]" 1
912 1 19 HIS H 1 20 LYS H 5.500 . 5.500 4.326 4.232 4.401 . 0 0 "[ . 1 . 2]" 1
913 1 18 ILE QG 1 19 HIS H 4.310 . 4.310 2.340 1.780 3.413 0.020 19 0 "[ . 1 . 2]" 1
914 1 20 LYS H 1 21 LEU H 5.500 . 5.500 4.626 4.564 4.676 . 0 0 "[ . 1 . 2]" 1
915 1 21 LEU H 1 22 ARG H . . 5.140 4.045 3.738 4.202 . 0 0 "[ . 1 . 2]" 1
916 1 21 LEU HA 1 22 ARG H 3.340 . 3.340 2.164 2.117 2.259 . 0 0 "[ . 1 . 2]" 1
917 1 21 LEU QB 1 22 ARG H 5.270 . 5.270 3.962 3.919 4.009 . 0 0 "[ . 1 . 2]" 1
918 1 21 LEU QD 1 22 ARG H 3.930 . 3.930 3.089 2.861 3.466 . 0 0 "[ . 1 . 2]" 1
919 1 22 ARG HA 1 23 GLN H 3.240 . 3.240 2.142 2.072 2.191 . 0 0 "[ . 1 . 2]" 1
920 1 23 GLN H 1 23 GLN HB2 4.100 . 4.100 2.831 2.668 3.105 . 0 0 "[ . 1 . 2]" 1
921 1 23 GLN H 1 24 GLY HA3 5.500 . 5.500 5.084 5.007 5.191 . 0 0 "[ . 1 . 2]" 1
922 1 23 GLN H 1 24 GLY H 5.500 . 5.500 3.817 3.706 3.944 . 0 0 "[ . 1 . 2]" 1
923 1 22 ARG HA 1 23 GLN HE21 5.500 . 5.500 4.702 3.665 5.284 . 0 0 "[ . 1 . 2]" 1
924 1 22 ARG H 1 23 GLN HE21 5.500 . 5.500 5.296 4.081 5.630 0.130 20 0 "[ . 1 . 2]" 1
925 1 23 GLN HA 1 23 GLN HE21 5.390 . 5.390 2.770 1.754 5.023 0.046 11 0 "[ . 1 . 2]" 1
926 1 23 GLN HB3 1 23 GLN HE22 5.500 . 5.500 4.681 3.974 4.833 . 0 0 "[ . 1 . 2]" 1
927 1 23 GLN HB2 1 23 GLN HE22 5.500 . 5.500 3.631 3.198 5.126 . 0 0 "[ . 1 . 2]" 1
928 1 23 GLN HA 1 24 GLY H 4.690 . 4.690 2.264 2.240 2.294 . 0 0 "[ . 1 . 2]" 1
929 1 23 GLN HB3 1 24 GLY H 5.500 . 5.500 4.225 3.970 4.302 . 0 0 "[ . 1 . 2]" 1
930 1 23 GLN HB2 1 24 GLY H 5.500 . 5.500 4.591 4.176 4.672 . 0 0 "[ . 1 . 2]" 1
931 1 23 GLN QG 1 24 GLY H 5.500 . 5.500 3.818 3.515 4.765 . 0 0 "[ . 1 . 2]" 1
932 1 25 GLU H 1 26 ASN HB2 5.500 . 5.500 4.305 3.631 5.288 . 0 0 "[ . 1 . 2]" 1
933 1 25 GLU H 1 26 ASN H . . 3.970 1.907 1.750 2.111 0.050 18 0 "[ . 1 . 2]" 1
934 1 26 ASN H 1 26 ASN HD21 4.720 . 4.720 2.409 2.124 2.795 . 0 0 "[ . 1 . 2]" 1
935 1 26 ASN H 1 26 ASN HD22 5.170 . 5.170 3.435 2.972 3.892 . 0 0 "[ . 1 . 2]" 1
936 1 26 ASN H 1 27 LEU H 5.000 . 5.000 4.461 4.291 4.545 . 0 0 "[ . 1 . 2]" 1
937 1 23 GLN QG 1 26 ASN HD21 5.500 . 5.500 3.850 3.338 5.435 . 0 0 "[ . 1 . 2]" 1
938 1 25 GLU HA 1 26 ASN HD21 5.500 . 5.500 5.086 4.707 5.529 0.029 15 0 "[ . 1 . 2]" 1
939 1 23 GLN QG 1 26 ASN HD22 5.470 . 5.470 4.579 3.803 5.524 0.054 18 0 "[ . 1 . 2]" 1
940 1 25 GLU H 1 26 ASN HD21 5.500 . 5.500 2.646 2.310 3.088 . 0 0 "[ . 1 . 2]" 1
941 1 25 GLU H 1 26 ASN HD22 5.500 . 5.500 3.098 2.874 3.362 . 0 0 "[ . 1 . 2]" 1
942 1 26 ASN HA 1 26 ASN HD21 4.840 . 4.840 3.989 3.705 4.179 . 0 0 "[ . 1 . 2]" 1
943 1 26 ASN HD21 1 28 ILE MD 5.200 . 5.200 4.335 3.573 5.095 . 0 0 "[ . 1 . 2]" 1
944 1 26 ASN HD22 1 28 ILE MD 5.500 . 5.500 5.095 4.207 5.540 0.040 9 0 "[ . 1 . 2]" 1
945 1 26 ASN HA 1 27 LEU H 3.310 . 3.310 2.439 2.162 2.631 . 0 0 "[ . 1 . 2]" 1
946 1 26 ASN HB3 1 27 LEU H 5.110 . 5.110 2.717 2.168 3.512 . 0 0 "[ . 1 . 2]" 1
947 1 27 LEU H 1 27 LEU HG 4.320 . 4.320 4.028 3.523 4.499 0.179 4 0 "[ . 1 . 2]" 1
948 1 27 LEU H 1 27 LEU QD 4.430 . 4.430 2.649 1.775 3.918 0.025 1 0 "[ . 1 . 2]" 1
949 1 27 LEU H 1 28 ILE HA 3.310 . 3.310 4.661 4.480 4.929 1.619 2 20 [*+**********-*******] 1
950 1 27 LEU H 1 28 ILE H 5.190 . 5.190 4.255 4.107 4.360 . 0 0 "[ . 1 . 2]" 1
951 1 27 LEU H 1 28 ILE MD 4.360 . 4.360 3.625 3.288 3.995 . 0 0 "[ . 1 . 2]" 1
952 1 27 LEU HA 1 28 ILE H 3.200 . 3.200 2.133 2.053 2.267 . 0 0 "[ . 1 . 2]" 1
953 1 27 LEU QB 1 28 ILE H 5.000 . 5.000 3.299 2.968 3.721 . 0 0 "[ . 1 . 2]" 1
954 1 28 ILE H 1 28 ILE MD 4.340 . 4.340 2.916 2.416 3.425 . 0 0 "[ . 1 . 2]" 1
955 1 28 ILE H 1 28 ILE QG 4.450 . 4.450 3.442 2.380 4.087 . 0 0 "[ . 1 . 2]" 1
956 1 28 ILE HB 1 29 LEU H 5.500 . 5.500 4.285 4.112 4.425 . 0 0 "[ . 1 . 2]" 1
957 1 29 LEU H 1 29 LEU HG 4.670 . 4.670 2.687 1.769 4.556 0.031 5 0 "[ . 1 . 2]" 1
958 1 29 LEU H 1 30 GLY HA2 5.500 . 5.500 4.648 4.460 4.971 . 0 0 "[ . 1 . 2]" 1
959 1 29 LEU H 1 30 GLY H . . 5.210 2.935 2.192 4.440 . 0 0 "[ . 1 . 2]" 1
960 1 29 LEU HG 1 30 GLY H 5.030 . 5.030 3.543 2.393 4.759 . 0 0 "[ . 1 . 2]" 1
961 1 29 LEU QD 1 30 GLY H 5.500 . 5.500 3.575 1.769 4.500 0.031 16 0 "[ . 1 . 2]" 1
962 1 29 LEU HA 1 30 GLY H 4.910 . 4.910 3.088 2.126 3.571 . 0 0 "[ . 1 . 2]" 1
963 1 30 GLY H 1 31 PHE H . . 3.980 2.717 2.212 3.387 . 0 0 "[ . 1 . 2]" 1
964 1 29 LEU HG 1 31 PHE H 3.800 . 3.800 3.190 1.793 4.061 0.261 6 0 "[ . 1 . 2]" 1
965 1 29 LEU QD 1 31 PHE H 4.340 . 4.340 3.185 1.892 3.621 . 0 0 "[ . 1 . 2]" 1
966 1 30 GLY HA2 1 31 PHE H 4.410 . 4.410 3.108 2.680 3.516 . 0 0 "[ . 1 . 2]" 1
967 1 31 PHE H 1 31 PHE QR 4.310 . 4.310 3.040 2.278 3.269 . 0 0 "[ . 1 . 2]" 1
968 1 31 PHE H 1 32 SER HA 3.100 . 3.100 4.607 4.283 5.055 1.955 17 20 [****************+-**] 1
969 1 31 PHE H 1 32 SER H 4.460 . 4.460 4.387 4.237 4.490 0.030 13 0 "[ . 1 . 2]" 1
970 1 31 PHE HA 1 32 SER H 3.100 . 3.100 2.417 2.253 2.534 . 0 0 "[ . 1 . 2]" 1
971 1 31 PHE HB3 1 32 SER H 4.600 . 4.600 3.829 3.614 4.106 . 0 0 "[ . 1 . 2]" 1
972 1 31 PHE HB2 1 32 SER H 5.500 . 5.500 2.577 2.215 2.993 . 0 0 "[ . 1 . 2]" 1
973 1 31 PHE QR 1 32 SER H 4.720 . 4.720 3.509 3.107 3.894 . 0 0 "[ . 1 . 2]" 1
974 1 32 SER H 1 59 ARG H 4.640 . 4.640 2.950 2.455 3.379 . 0 0 "[ . 1 . 2]" 1
975 1 32 SER H 1 60 VAL QG 5.090 . 5.090 4.216 3.907 4.732 . 0 0 "[ . 1 . 2]" 1
976 1 32 SER HA 1 33 ILE H 3.150 . 3.150 2.535 2.383 2.643 . 0 0 "[ . 1 . 2]" 1
977 1 33 ILE H 1 33 ILE QG 4.370 . 4.370 4.023 3.957 4.095 . 0 0 "[ . 1 . 2]" 1
978 1 33 ILE H 1 34 GLY H 5.500 . 5.500 4.179 4.109 4.276 . 0 0 "[ . 1 . 2]" 1
979 1 33 ILE H 1 90 HIS HE1 5.500 . 5.500 4.976 4.806 5.165 . 0 0 "[ . 1 . 2]" 1
980 1 33 ILE HA 1 34 GLY H 3.150 . 3.150 2.205 2.164 2.230 . 0 0 "[ . 1 . 2]" 1
981 1 33 ILE MD 1 34 GLY H 5.500 . 5.500 4.404 4.277 4.498 . 0 0 "[ . 1 . 2]" 1
982 1 33 ILE QG 1 34 GLY H 5.500 . 5.500 2.725 2.589 2.825 . 0 0 "[ . 1 . 2]" 1
983 1 34 GLY H 1 57 VAL HA 5.260 . 5.260 3.434 3.119 3.806 . 0 0 "[ . 1 . 2]" 1
984 1 34 GLY H 1 58 THR H 5.440 . 5.440 3.526 3.319 3.757 . 0 0 "[ . 1 . 2]" 1
985 1 34 GLY HA3 1 35 GLY H 3.080 . 3.080 3.145 2.645 3.245 0.165 4 0 "[ . 1 . 2]" 1
986 1 34 GLY H 1 35 GLY H 5.350 . 5.350 4.069 3.945 4.541 . 0 0 "[ . 1 . 2]" 1
987 1 35 GLY H 1 36 GLY H . . 4.560 4.175 4.112 4.387 . 0 0 "[ . 1 . 2]" 1
988 1 35 GLY H 1 90 HIS HD2 5.140 . 5.140 2.773 2.201 5.251 0.111 12 0 "[ . 1 . 2]" 1
989 1 36 GLY H 1 38 ASP H 5.500 . 5.500 4.560 3.432 4.866 . 0 0 "[ . 1 . 2]" 1
990 1 36 GLY H 1 39 GLN QG 5.180 . 5.180 2.791 2.401 4.413 . 0 0 "[ . 1 . 2]" 1
991 1 36 GLY H 1 39 GLN QB 5.220 . 5.220 3.365 2.905 5.302 0.082 12 0 "[ . 1 . 2]" 1
992 1 36 GLY H 1 37 ILE H 5.450 . 5.450 4.063 3.832 4.308 . 0 0 "[ . 1 . 2]" 1
993 1 37 ILE H 1 38 ASP H . . 4.600 2.469 2.307 2.732 . 0 0 "[ . 1 . 2]" 1
994 1 37 ILE H 1 39 GLN H 5.500 . 5.500 4.079 3.783 4.692 . 0 0 "[ . 1 . 2]" 1
995 1 37 ILE H 1 89 THR HA . . 4.510 3.047 2.521 3.274 . 0 0 "[ . 1 . 2]" 1
996 1 37 ILE H 1 90 HIS H . . 5.030 4.512 3.873 4.695 . 0 0 "[ . 1 . 2]" 1
997 1 36 GLY QA 1 38 ASP H 5.410 . 5.410 2.466 2.236 3.095 . 0 0 "[ . 1 . 2]" 1
998 1 37 ILE HA 1 38 ASP H 5.070 . 5.070 3.369 3.309 3.422 . 0 0 "[ . 1 . 2]" 1
999 1 37 ILE HG13 1 38 ASP H 4.410 . 4.410 2.452 2.028 3.276 . 0 0 "[ . 1 . 2]" 1
1000 1 37 ILE HG12 1 38 ASP H 4.410 . 4.410 3.038 2.771 3.562 . 0 0 "[ . 1 . 2]" 1
1001 1 38 ASP H 1 39 GLN HE21 5.500 . 5.500 4.665 2.820 5.341 . 0 0 "[ . 1 . 2]" 1
1002 1 38 ASP H 1 39 GLN QG 4.650 . 4.650 4.131 3.832 4.602 . 0 0 "[ . 1 . 2]" 1
1003 1 38 ASP H 1 39 GLN H . . 3.810 2.606 2.427 2.747 . 0 0 "[ . 1 . 2]" 1
1004 1 38 ASP H 1 39 GLN QB 5.150 . 5.150 4.687 4.481 4.802 . 0 0 "[ . 1 . 2]" 1
1005 1 38 ASP H 1 90 HIS HB2 5.500 . 5.500 4.804 4.157 5.040 . 0 0 "[ . 1 . 2]" 1
1006 1 38 ASP H 1 90 HIS HB3 5.500 . 5.500 5.326 4.651 5.552 0.052 11 0 "[ . 1 . 2]" 1
1007 1 38 ASP H 1 90 HIS H 5.280 . 5.280 3.044 2.479 3.225 . 0 0 "[ . 1 . 2]" 1
1008 1 37 ILE HG12 1 39 GLN H 5.200 . 5.200 5.321 5.151 5.561 0.361 10 0 "[ . 1 . 2]" 1
1009 1 36 GLY H 1 39 GLN H 5.500 . 5.500 3.794 3.625 4.417 . 0 0 "[ . 1 . 2]" 1
1010 1 37 ILE HA 1 39 GLN H 4.920 . 4.920 3.820 3.598 3.984 . 0 0 "[ . 1 . 2]" 1
1011 1 38 ASP HA 1 39 GLN H 4.240 . 4.240 3.519 3.468 3.552 . 0 0 "[ . 1 . 2]" 1
1012 1 38 ASP HB2 1 39 GLN H 5.020 . 5.020 4.002 3.793 4.139 . 0 0 "[ . 1 . 2]" 1
1013 1 38 ASP HB3 1 39 GLN H 4.970 . 4.970 2.839 2.420 3.987 . 0 0 "[ . 1 . 2]" 1
1014 1 39 GLN H 1 39 GLN HE21 5.500 . 5.500 3.050 1.842 4.010 . 0 0 "[ . 1 . 2]" 1
1015 1 39 GLN H 1 39 GLN HE22 5.500 . 5.500 4.601 3.060 4.942 . 0 0 "[ . 1 . 2]" 1
1016 1 39 GLN H 1 90 HIS HB2 5.500 . 5.500 3.998 3.645 4.448 . 0 0 "[ . 1 . 2]" 1
1017 1 39 GLN H 1 90 HIS HB3 5.500 . 5.500 4.845 4.422 5.112 . 0 0 "[ . 1 . 2]" 1
1018 1 39 GLN H 1 90 HIS H 5.500 . 5.500 3.623 3.297 3.946 . 0 0 "[ . 1 . 2]" 1
1019 1 39 GLN HE22 1 91 ASP H 5.500 . 5.500 5.474 5.184 5.611 0.111 12 0 "[ . 1 . 2]" 1
1020 1 39 GLN HE21 1 90 HIS HA 5.500 . 5.500 4.774 4.632 4.905 . 0 0 "[ . 1 . 2]" 1
1021 1 39 GLN HE22 1 90 HIS HA 5.500 . 5.500 5.376 4.381 5.607 0.107 15 0 "[ . 1 . 2]" 1
1022 1 36 GLY QA 1 39 GLN HE21 5.500 . 5.500 3.551 2.835 5.134 . 0 0 "[ . 1 . 2]" 1
1023 1 36 GLY QA 1 39 GLN HE22 5.500 . 5.500 4.682 2.987 5.103 . 0 0 "[ . 1 . 2]" 1
1024 1 38 ASP HB3 1 39 GLN HE22 5.500 . 5.500 4.790 3.743 5.384 . 0 0 "[ . 1 . 2]" 1
1025 1 39 GLN HA 1 39 GLN HE22 5.120 . 5.120 3.560 3.129 5.475 0.355 19 0 "[ . 1 . 2]" 1
1026 1 39 GLN HE21 1 90 HIS HB2 5.150 . 5.150 2.476 2.179 2.720 . 0 0 "[ . 1 . 2]" 1
1027 1 39 GLN HE22 1 90 HIS HB2 5.270 . 5.270 3.105 2.239 3.309 . 0 0 "[ . 1 . 2]" 1
1028 1 39 GLN HE21 1 90 HIS HB3 5.190 . 5.190 2.730 2.410 3.553 . 0 0 "[ . 1 . 2]" 1
1029 1 39 GLN HE22 1 90 HIS HB3 5.330 . 5.330 3.194 2.828 4.167 . 0 0 "[ . 1 . 2]" 1
1030 1 39 GLN HE21 1 90 HIS H 5.500 . 5.500 3.352 2.844 3.858 . 0 0 "[ . 1 . 2]" 1
1031 1 39 GLN HE22 1 90 HIS H 5.500 . 5.500 4.598 3.363 4.880 . 0 0 "[ . 1 . 2]" 1
1032 1 39 GLN HE21 1 91 ASP H 5.500 . 5.500 4.732 4.629 4.894 . 0 0 "[ . 1 . 2]" 1
1033 1 39 GLN HE21 1 40 ASP H 5.500 . 5.500 5.169 3.931 5.844 0.344 19 0 "[ . 1 . 2]" 1
1034 1 39 GLN QG 1 40 ASP H 4.270 . 4.270 3.913 3.694 4.165 . 0 0 "[ . 1 . 2]" 1
1035 1 39 GLN H 1 40 ASP H 5.310 . 5.310 3.030 2.331 4.401 . 0 0 "[ . 1 . 2]" 1
1036 1 39 GLN QB 1 40 ASP H 4.800 . 4.800 2.143 1.773 2.547 0.027 1 0 "[ . 1 . 2]" 1
1037 1 40 ASP H 1 40 ASP HB3 4.170 . 4.170 3.277 2.656 3.933 . 0 0 "[ . 1 . 2]" 1
1038 1 40 ASP H 1 41 PRO HD3 5.030 . 5.030 3.699 3.192 4.295 . 0 0 "[ . 1 . 2]" 1
1039 1 40 ASP HA 1 42 SER H 4.660 . 4.660 3.413 3.047 3.748 . 0 0 "[ . 1 . 2]" 1
1040 1 40 ASP HB3 1 42 SER H 5.430 . 5.430 3.813 2.432 4.701 . 0 0 "[ . 1 . 2]" 1
1041 1 40 ASP HB2 1 42 SER H 5.120 . 5.120 4.073 2.969 4.862 . 0 0 "[ . 1 . 2]" 1
1042 1 41 PRO HB3 1 42 SER H 4.570 . 4.570 4.487 4.019 4.634 0.064 14 0 "[ . 1 . 2]" 1
1043 1 42 SER H 1 43 GLN H 3.850 . 3.850 2.541 2.116 3.112 . 0 0 "[ . 1 . 2]" 1
1044 1 42 SER H 1 44 ASN H 5.070 . 5.070 4.585 3.410 5.095 0.025 17 0 "[ . 1 . 2]" 1
1045 1 43 GLN H 1 43 GLN QG 4.620 . 4.620 3.035 1.993 3.704 . 0 0 "[ . 1 . 2]" 1
1046 1 43 GLN H 1 44 ASN HA 5.500 . 5.500 4.686 4.187 5.466 . 0 0 "[ . 1 . 2]" 1
1047 1 43 GLN H 1 44 ASN HB2 5.050 . 5.050 4.643 3.378 5.118 0.068 9 0 "[ . 1 . 2]" 1
1048 1 43 GLN H 1 44 ASN H 3.860 . 3.860 2.545 1.771 3.604 0.029 7 0 "[ . 1 . 2]" 1
1049 1 40 ASP HB3 1 43 GLN HE22 5.500 . 5.500 4.078 2.524 5.492 . 0 0 "[ . 1 . 2]" 1
1050 1 40 ASP HB3 1 43 GLN HE21 5.500 . 5.500 3.454 1.769 4.612 0.031 17 0 "[ . 1 . 2]" 1
1051 1 40 ASP HB2 1 43 GLN HE21 5.500 . 5.500 3.856 2.419 4.874 . 0 0 "[ . 1 . 2]" 1
1052 1 40 ASP HB2 1 43 GLN HE22 5.500 . 5.500 4.354 2.102 5.609 0.109 6 0 "[ . 1 . 2]" 1
1053 1 42 SER QB 1 43 GLN HE21 5.000 . 5.000 3.445 2.154 4.215 . 0 0 "[ . 1 . 2]" 1
1054 1 42 SER QB 1 43 GLN HE22 5.210 . 5.210 4.202 2.225 5.112 . 0 0 "[ . 1 . 2]" 1
1055 1 43 GLN HA 1 43 GLN HE21 5.500 . 5.500 4.208 3.773 4.783 . 0 0 "[ . 1 . 2]" 1
1056 1 43 GLN HA 1 43 GLN HE22 5.180 . 5.180 5.156 3.948 5.770 0.590 13 2 "[- . 1 + . 2]" 1
1057 1 43 GLN HB2 1 43 GLN HE22 5.500 . 5.500 4.010 3.124 5.360 . 0 0 "[ . 1 . 2]" 1
1058 1 41 PRO HA 1 44 ASN H 4.910 . 4.910 4.676 3.710 5.083 0.173 11 0 "[ . 1 . 2]" 1
1059 1 43 GLN HB2 1 44 ASN H 4.590 . 4.590 4.064 2.402 4.518 . 0 0 "[ . 1 . 2]" 1
1060 1 43 GLN QG 1 44 ASN H 4.590 . 4.590 4.363 3.365 4.640 0.050 6 0 "[ . 1 . 2]" 1
1061 1 44 ASN HB3 1 46 PHE H 5.500 . 5.500 4.891 3.408 5.682 0.182 8 0 "[ . 1 . 2]" 1
1062 1 45 PRO HB2 1 46 PHE H 5.500 . 5.500 3.701 2.761 4.253 . 0 0 "[ . 1 . 2]" 1
1063 1 46 PHE H 1 46 PHE QR 4.860 . 4.860 3.787 2.669 4.501 . 0 0 "[ . 1 . 2]" 1
1064 1 46 PHE H 1 47 SER H 4.540 . 4.540 2.016 1.768 2.762 0.032 10 0 "[ . 1 . 2]" 1
1065 1 44 ASN HA 1 47 SER H 5.440 . 5.440 3.633 2.812 5.380 . 0 0 "[ . 1 . 2]" 1
1066 1 44 ASN HB3 1 47 SER H 5.140 . 5.140 4.962 3.127 5.781 0.641 8 1 "[ . + 1 . 2]" 1
1067 1 46 PHE HA 1 47 SER H 4.470 . 4.470 3.192 2.445 3.546 . 0 0 "[ . 1 . 2]" 1
1068 1 47 SER H 1 48 GLU H 5.000 . 5.000 4.181 3.399 4.472 . 0 0 "[ . 1 . 2]" 1
1069 1 46 PHE HB2 1 47 SER H 4.340 . 4.340 3.678 2.170 4.536 0.196 18 0 "[ . 1 . 2]" 1
1070 1 48 GLU H 1 49 ASP H . . 4.370 2.501 1.798 3.581 0.002 16 0 "[ . 1 . 2]" 1
1071 1 48 GLU H 1 52 ASP QB 5.500 . 5.500 3.465 2.475 4.926 . 0 0 "[ . 1 . 2]" 1
1072 1 48 GLU HG3 1 49 ASP H 5.420 . 5.420 4.790 4.333 5.220 . 0 0 "[ . 1 . 2]" 1
1073 1 49 ASP H 1 50 LYS QD 5.500 . 5.500 5.420 4.807 5.793 0.293 15 0 "[ . 1 . 2]" 1
1074 1 49 ASP H 1 50 LYS H 4.970 . 4.970 4.028 3.455 4.347 . 0 0 "[ . 1 . 2]" 1
1075 1 49 ASP H 1 52 ASP H . . 5.340 2.649 1.750 3.458 0.050 4 0 "[ . 1 . 2]" 1
1076 1 79 GLN HB3 1 80 VAL H 4.410 . 4.410 4.040 2.352 4.200 . 0 0 "[ . 1 . 2]" 1
1077 1 49 ASP HA 1 50 LYS H 3.580 . 3.580 3.110 2.834 3.476 . 0 0 "[ . 1 . 2]" 1
1078 1 50 LYS H 1 52 ASP H 5.500 . 5.500 4.479 3.738 5.220 . 0 0 "[ . 1 . 2]" 1
1079 1 49 ASP HA 1 51 THR H 4.940 . 4.940 4.178 3.959 4.656 . 0 0 "[ . 1 . 2]" 1
1080 1 49 ASP H 1 51 THR H 5.500 . 5.500 3.228 2.568 3.791 . 0 0 "[ . 1 . 2]" 1
1081 1 50 LYS HA 1 51 THR H 4.970 . 4.970 3.257 2.621 3.472 . 0 0 "[ . 1 . 2]" 1
1082 1 50 LYS QD 1 51 THR H 5.430 . 5.430 3.555 2.151 4.351 . 0 0 "[ . 1 . 2]" 1
1083 1 50 LYS QB 1 51 THR H 5.210 . 5.210 3.350 2.608 3.896 . 0 0 "[ . 1 . 2]" 1
1084 1 51 THR H 1 52 ASP QB . . 5.190 4.245 3.618 4.565 . 0 0 "[ . 1 . 2]" 1
1085 1 51 THR H 1 52 ASP H . . 3.620 2.511 2.079 2.891 . 0 0 "[ . 1 . 2]" 1
1086 1 50 LYS HA 1 52 ASP H 4.710 . 4.710 4.309 3.658 4.796 0.086 18 0 "[ . 1 . 2]" 1
1087 1 53 LYS H 1 54 GLY HA3 5.500 . 5.500 4.616 3.635 5.427 . 0 0 "[ . 1 . 2]" 1
1088 1 52 ASP H 1 53 LYS H 5.310 . 5.310 4.258 2.782 4.645 . 0 0 "[ . 1 . 2]" 1
1089 1 53 LYS H 1 53 LYS QD 4.170 . 4.170 3.272 1.847 4.316 0.146 3 0 "[ . 1 . 2]" 1
1090 1 53 LYS H 1 53 LYS QG 4.970 . 4.970 2.644 1.739 4.364 0.061 9 0 "[ . 1 . 2]" 1
1091 1 53 LYS H 1 54 GLY HA2 5.050 . 5.050 4.583 3.826 5.163 0.113 9 0 "[ . 1 . 2]" 1
1092 1 53 LYS HA 1 54 GLY H 4.510 . 4.510 2.949 2.268 3.545 . 0 0 "[ . 1 . 2]" 1
1093 1 53 LYS QD 1 54 GLY H 4.880 . 4.880 3.753 1.707 4.876 0.093 17 0 "[ . 1 . 2]" 1
1094 1 53 LYS QG 1 54 GLY H 5.410 . 5.410 4.172 1.888 4.900 . 0 0 "[ . 1 . 2]" 1
1095 1 54 GLY H 1 55 ILE H . . 4.780 4.370 3.971 4.662 . 0 0 "[ . 1 . 2]" 1
1096 1 55 ILE H 1 55 ILE HG12 5.500 . 5.500 4.466 4.203 4.597 . 0 0 "[ . 1 . 2]" 1
1097 1 55 ILE H 1 55 ILE HG13 4.950 . 4.950 4.165 3.853 4.257 . 0 0 "[ . 1 . 2]" 1
1098 1 55 ILE H 1 55 ILE MD 4.860 . 4.860 2.698 2.278 2.847 . 0 0 "[ . 1 . 2]" 1
1099 1 55 ILE H 1 56 TYR QE 5.500 . 5.500 5.004 4.072 5.680 0.180 5 0 "[ . 1 . 2]" 1
1100 1 34 GLY HA2 1 56 TYR H 5.500 . 5.500 4.620 4.487 4.800 . 0 0 "[ . 1 . 2]" 1
1101 1 34 GLY H 1 56 TYR H 5.290 . 5.290 3.674 2.873 4.008 . 0 0 "[ . 1 . 2]" 1
1102 1 35 GLY H 1 56 TYR H 5.500 . 5.500 3.768 3.454 4.873 . 0 0 "[ . 1 . 2]" 1
1103 1 55 ILE HA 1 56 TYR H 4.330 . 4.330 2.334 2.108 2.420 . 0 0 "[ . 1 . 2]" 1
1104 1 55 ILE HG13 1 56 TYR H 5.500 . 5.500 3.891 3.741 4.050 . 0 0 "[ . 1 . 2]" 1
1105 1 56 TYR H 1 56 TYR QE 5.470 . 5.470 4.177 3.886 4.404 . 0 0 "[ . 1 . 2]" 1
1106 1 56 TYR H 1 57 VAL HA 5.500 . 5.500 4.630 4.463 5.004 . 0 0 "[ . 1 . 2]" 1
1107 1 33 ILE HA 1 57 VAL H 5.500 . 5.500 4.808 4.342 5.009 . 0 0 "[ . 1 . 2]" 1
1108 1 56 TYR QD 1 57 VAL H 4.720 . 4.720 4.415 4.062 4.691 . 0 0 "[ . 1 . 2]" 1
1109 1 56 TYR QB 1 57 VAL H 4.330 . 4.330 2.726 2.424 2.934 . 0 0 "[ . 1 . 2]" 1
1110 1 32 SER QB 1 58 THR H 5.500 . 5.500 3.645 3.172 3.915 . 0 0 "[ . 1 . 2]" 1
1111 1 33 ILE HA 1 58 THR H 4.660 . 4.660 2.055 1.774 2.297 0.026 6 0 "[ . 1 . 2]" 1
1112 1 57 VAL HB 1 58 THR H 5.500 . 5.500 4.175 4.085 4.322 . 0 0 "[ . 1 . 2]" 1
1113 1 58 THR H 1 59 ARG HG3 5.500 . 5.500 5.140 4.772 5.430 . 0 0 "[ . 1 . 2]" 1
1114 1 58 THR H 1 59 ARG H . . 3.890 2.491 1.979 3.144 . 0 0 "[ . 1 . 2]" 1
1115 1 31 PHE HA 1 59 ARG H 5.110 . 5.110 4.710 4.433 5.071 . 0 0 "[ . 1 . 2]" 1
1116 1 59 ARG H 1 60 VAL QG 4.990 . 4.990 4.068 3.719 4.805 . 0 0 "[ . 1 . 2]" 1
1117 1 31 PHE HA 1 60 VAL H 5.500 . 5.500 3.706 3.526 4.012 . 0 0 "[ . 1 . 2]" 1
1118 1 59 ARG H 1 60 VAL H 5.050 . 5.050 4.312 4.238 4.394 . 0 0 "[ . 1 . 2]" 1
1119 1 60 VAL H 1 61 SER H . . 4.980 4.037 3.709 4.259 . 0 0 "[ . 1 . 2]" 1
1120 1 31 PHE HA 1 61 SER H 4.510 . 4.510 2.780 2.042 3.362 . 0 0 "[ . 1 . 2]" 1
1121 1 31 PHE HB3 1 61 SER H 5.500 . 5.500 3.900 3.570 4.240 . 0 0 "[ . 1 . 2]" 1
1122 1 31 PHE H 1 61 SER H 5.500 . 5.500 4.203 3.660 4.620 . 0 0 "[ . 1 . 2]" 1
1123 1 60 VAL HA 1 61 SER H 3.630 . 3.630 2.236 2.122 2.402 . 0 0 "[ . 1 . 2]" 1
1124 1 61 SER H 1 62 GLU H 5.460 . 5.460 4.418 4.314 4.562 . 0 0 "[ . 1 . 2]" 1
1125 1 61 SER H 1 66 ALA MB 4.800 . 4.800 3.497 3.076 3.915 . 0 0 "[ . 1 . 2]" 1
1126 1 60 VAL QG 1 62 GLU H 5.500 . 5.500 4.194 3.911 4.770 . 0 0 "[ . 1 . 2]" 1
1127 1 62 GLU H 1 62 GLU QB 3.780 . 3.780 2.188 2.019 2.505 . 0 0 "[ . 1 . 2]" 1
1128 1 62 GLU H 1 63 GLY H 5.500 . 5.500 4.378 4.235 4.498 . 0 0 "[ . 1 . 2]" 1
1129 1 62 GLU H 1 64 GLY H 5.500 . 5.500 4.382 3.960 4.595 . 0 0 "[ . 1 . 2]" 1
1130 1 60 VAL QG 1 63 GLY H 5.360 . 5.360 4.415 3.856 5.065 . 0 0 "[ . 1 . 2]" 1
1131 1 63 GLY H 1 64 GLY HA3 5.500 . 5.500 4.739 4.373 5.043 . 0 0 "[ . 1 . 2]" 1
1132 1 63 GLY H 1 64 GLY H . . 4.230 2.493 2.224 2.766 . 0 0 "[ . 1 . 2]" 1
1133 1 62 GLU QB 1 63 GLY H 4.010 . 4.010 3.463 3.240 3.671 . 0 0 "[ . 1 . 2]" 1
1134 1 63 GLY H 1 67 GLU H 5.500 . 5.500 4.833 4.156 5.014 . 0 0 "[ . 1 . 2]" 1
1135 1 63 GLY H 1 68 ILE H 5.500 . 5.500 5.620 5.278 5.737 0.237 11 0 "[ . 1 . 2]" 1
1136 1 60 VAL QG 1 64 GLY H 4.930 . 4.930 4.160 3.593 4.729 . 0 0 "[ . 1 . 2]" 1
1137 1 64 GLY H 1 65 PRO HD3 4.760 . 4.760 4.758 4.141 5.048 0.288 14 0 "[ . 1 . 2]" 1
1138 1 64 GLY H 1 66 ALA H 5.500 . 5.500 5.036 4.634 5.402 . 0 0 "[ . 1 . 2]" 1
1139 1 64 GLY H 1 66 ALA MB 5.500 . 5.500 5.178 4.922 5.484 . 0 0 "[ . 1 . 2]" 1
1140 1 64 GLY H 1 67 GLU HB3 4.200 . 4.200 3.681 3.307 4.128 . 0 0 "[ . 1 . 2]" 1
1141 1 18 ILE MG 1 66 ALA H 4.100 . 4.100 3.625 3.194 3.942 . 0 0 "[ . 1 . 2]" 1
1142 1 64 GLY HA3 1 66 ALA H 5.310 . 5.310 3.639 3.405 4.101 . 0 0 "[ . 1 . 2]" 1
1143 1 65 PRO HD2 1 66 ALA H 4.850 . 4.850 2.329 1.744 3.071 0.056 18 0 "[ . 1 . 2]" 1
1144 1 66 ALA H 1 67 GLU H 4.220 . 4.220 2.627 2.507 2.934 . 0 0 "[ . 1 . 2]" 1
1145 1 66 ALA H 1 68 ILE HB 5.500 . 5.500 5.107 4.964 5.273 . 0 0 "[ . 1 . 2]" 1
1146 1 66 ALA H 1 68 ILE H 5.150 . 5.150 4.055 3.933 4.267 . 0 0 "[ . 1 . 2]" 1
1147 1 66 ALA H 1 69 ALA H 5.500 . 5.500 4.774 4.641 4.958 . 0 0 "[ . 1 . 2]" 1
1148 1 60 VAL QG 1 67 GLU H 4.280 . 4.280 2.885 2.688 3.040 . 0 0 "[ . 1 . 2]" 1
1149 1 64 GLY H 1 67 GLU H 5.470 . 5.470 4.244 3.939 4.555 . 0 0 "[ . 1 . 2]" 1
1150 1 67 GLU H 1 67 GLU HB3 4.230 . 4.230 2.390 2.156 2.582 . 0 0 "[ . 1 . 2]" 1
1151 1 67 GLU H 1 68 ILE HB 5.500 . 5.500 4.410 4.319 4.741 . 0 0 "[ . 1 . 2]" 1
1152 1 67 GLU H 1 68 ILE HG12 5.500 . 5.500 5.676 5.594 5.926 0.426 12 0 "[ . 1 . 2]" 1
1153 1 67 GLU H 1 68 ILE H . . 4.620 2.345 2.285 2.499 . 0 0 "[ . 1 . 2]" 1
1154 1 67 GLU H 1 69 ALA H 5.500 . 5.500 3.975 3.821 4.116 . 0 0 "[ . 1 . 2]" 1
1155 1 67 GLU HB3 1 68 ILE H 4.030 . 4.030 2.758 2.548 2.985 . 0 0 "[ . 1 . 2]" 1
1156 1 68 ILE H 1 69 ALA H . . 4.190 2.530 2.281 2.729 . 0 0 "[ . 1 . 2]" 1
1157 1 68 ILE H 1 70 GLY H 5.310 . 5.310 3.658 3.540 3.768 . 0 0 "[ . 1 . 2]" 1
1158 1 65 PRO HB2 1 69 ALA H 5.500 . 5.500 4.931 4.663 5.268 . 0 0 "[ . 1 . 2]" 1
1159 1 67 GLU HB3 1 69 ALA H 5.130 . 5.130 5.122 4.967 5.185 0.055 15 0 "[ . 1 . 2]" 1
1160 1 68 ILE HA 1 69 ALA H 4.250 . 4.250 3.530 3.483 3.564 . 0 0 "[ . 1 . 2]" 1
1161 1 68 ILE HG12 1 69 ALA H 5.100 . 5.100 5.026 4.936 5.102 0.002 19 0 "[ . 1 . 2]" 1
1162 1 68 ILE MD 1 69 ALA H 5.310 . 5.310 3.880 3.673 3.966 . 0 0 "[ . 1 . 2]" 1
1163 1 69 ALA H 1 70 GLY H 3.990 . 3.990 2.461 2.371 2.580 . 0 0 "[ . 1 . 2]" 1
1164 1 67 GLU HB3 1 70 GLY H 5.500 . 5.500 5.308 5.153 5.511 0.011 7 0 "[ . 1 . 2]" 1
1165 1 67 GLU HG3 1 70 GLY H 5.500 . 5.500 5.277 4.655 5.749 0.249 5 0 "[ . 1 . 2]" 1
1166 1 68 ILE HB 1 70 GLY H 5.380 . 5.380 4.788 4.592 4.902 . 0 0 "[ . 1 . 2]" 1
1167 1 70 GLY H 1 71 LEU H . . 3.990 2.551 2.180 2.807 . 0 0 "[ . 1 . 2]" 1
1168 1 70 GLY H 1 71 LEU QB 5.360 . 5.360 4.049 3.901 4.341 . 0 0 "[ . 1 . 2]" 1
1169 1 70 GLY H 1 71 LEU QD 5.500 . 5.500 5.021 3.904 5.239 . 0 0 "[ . 1 . 2]" 1
1170 1 71 LEU H 1 71 LEU QB 3.900 . 3.900 2.353 2.124 2.462 . 0 0 "[ . 1 . 2]" 1
1171 1 71 LEU H 1 71 LEU QD 4.610 . 4.610 3.729 2.983 3.889 . 0 0 "[ . 1 . 2]" 1
1172 1 71 LEU H 1 72 GLN H 5.120 . 5.120 4.576 4.537 4.630 . 0 0 "[ . 1 . 2]" 1
1173 1 71 LEU HA 1 72 GLN H 4.120 . 4.120 2.450 2.379 2.526 . 0 0 "[ . 1 . 2]" 1
1174 1 71 LEU HG 1 72 GLN H . . 3.930 2.536 2.112 4.028 0.098 10 0 "[ . 1 . 2]" 1
1175 1 71 LEU QB 1 72 GLN H 4.320 . 4.320 3.244 2.336 3.478 . 0 0 "[ . 1 . 2]" 1
1176 1 71 LEU QD 1 72 GLN H 4.990 . 4.990 2.220 1.818 2.941 . 0 0 "[ . 1 . 2]" 1
1177 1 72 GLN H 1 72 GLN QE . . 4.930 3.285 2.191 4.724 . 0 0 "[ . 1 . 2]" 1
1178 1 71 LEU HA 1 72 GLN QE 5.500 . 5.500 3.928 2.960 4.951 . 0 0 "[ . 1 . 2]" 1
1179 1 72 GLN HA 1 72 GLN QE 5.500 . 5.500 4.254 3.626 4.587 . 0 0 "[ . 1 . 2]" 1
1180 1 91 ASP QB 1 95 LYS H . . 5.080 4.348 4.234 4.426 . 0 0 "[ . 1 . 2]" 1
1181 1 72 GLN QG 1 73 ILE H 4.310 . 4.310 4.422 3.678 4.552 0.242 2 0 "[ . 1 . 2]" 1
1182 1 73 ILE H 1 74 GLY H 5.270 . 5.270 2.886 2.643 3.268 . 0 0 "[ . 1 . 2]" 1
1183 1 73 ILE HB 1 74 GLY H 5.200 . 5.200 3.708 3.395 3.958 . 0 0 "[ . 1 . 2]" 1
1184 1 73 ILE HG12 1 74 GLY H 5.500 . 5.500 5.515 5.260 5.888 0.388 13 0 "[ . 1 . 2]" 1
1185 1 74 GLY H 1 75 ASP H . . 4.130 2.615 2.408 2.920 . 0 0 "[ . 1 . 2]" 1
1186 1 74 GLY HA3 1 75 ASP H 4.410 . 4.410 3.532 3.518 3.545 . 0 0 "[ . 1 . 2]" 1
1187 1 75 ASP HA 1 76 LYS H 3.850 . 3.850 2.286 2.161 2.406 . 0 0 "[ . 1 . 2]" 1
1188 1 75 ASP H 1 76 LYS H 5.210 . 5.210 4.444 4.393 4.482 . 0 0 "[ . 1 . 2]" 1
1189 1 76 LYS H 1 76 LYS QD 4.510 . 4.510 2.822 2.026 3.952 . 0 0 "[ . 1 . 2]" 1
1190 1 111 ARG H 1 111 ARG HG3 4.450 . 4.450 4.447 4.044 4.580 0.130 18 0 "[ . 1 . 2]" 1
1191 1 77 ILE H 1 78 MET ME 5.500 . 5.500 4.140 3.680 7.442 1.942 20 1 "[ . 1 . +]" 1
1192 1 77 ILE HA 1 78 MET H 4.430 . 4.430 2.058 2.022 2.174 . 0 0 "[ . 1 . 2]" 1
1193 1 77 ILE HB 1 78 MET H 5.250 . 5.250 4.229 4.089 4.337 . 0 0 "[ . 1 . 2]" 1
1194 1 77 ILE H 1 78 MET H 5.500 . 5.500 4.422 4.348 4.514 . 0 0 "[ . 1 . 2]" 1
1195 1 78 MET H 1 79 GLN HA 5.500 . 5.500 4.985 4.885 5.061 . 0 0 "[ . 1 . 2]" 1
1196 1 78 MET H 1 79 GLN H . . 4.160 2.327 2.222 2.425 . 0 0 "[ . 1 . 2]" 1
1197 1 78 MET HA 1 79 GLN H 4.740 . 4.740 3.397 3.218 3.480 . 0 0 "[ . 1 . 2]" 1
1198 1 78 MET HB3 1 79 GLN H 4.450 . 4.450 4.157 3.997 4.543 0.093 20 0 "[ . 1 . 2]" 1
1199 1 79 GLN H 1 80 VAL HA 5.500 . 5.500 4.780 4.736 4.919 . 0 0 "[ . 1 . 2]" 1
1200 1 79 GLN H 1 80 VAL H 5.400 . 5.400 4.302 4.257 4.368 . 0 0 "[ . 1 . 2]" 1
1201 1 79 GLN HA 1 79 GLN HE22 5.500 . 5.500 5.486 5.364 5.644 0.144 15 0 "[ . 1 . 2]" 1
1202 1 79 GLN HA 1 79 GLN HE21 5.500 . 5.500 3.931 3.735 4.248 . 0 0 "[ . 1 . 2]" 1
1203 1 79 GLN HB2 1 79 GLN HE22 5.400 . 5.400 3.489 3.307 4.447 . 0 0 "[ . 1 . 2]" 1
1204 1 79 GLN HE21 1 80 VAL H 5.500 . 5.500 4.243 3.989 4.383 . 0 0 "[ . 1 . 2]" 1
1205 1 79 GLN HB2 1 80 VAL H 4.370 . 4.370 3.429 3.250 3.679 . 0 0 "[ . 1 . 2]" 1
1206 1 79 GLN HE22 1 80 VAL H 5.500 . 5.500 5.579 5.508 5.637 0.137 7 0 "[ . 1 . 2]" 1
1207 1 80 VAL H 1 81 ASN H 5.500 . 5.500 4.093 3.914 4.161 . 0 0 "[ . 1 . 2]" 1
1208 1 80 VAL HA 1 81 ASN H 3.840 . 3.840 2.116 2.079 2.174 . 0 0 "[ . 1 . 2]" 1
1209 1 80 VAL QG 1 81 ASN H 4.100 . 4.100 2.805 2.524 3.574 . 0 0 "[ . 1 . 2]" 1
1210 1 81 ASN H 1 81 ASN QD 5.500 . 5.500 3.235 1.988 4.435 . 0 0 "[ . 1 . 2]" 1
1211 1 81 ASN H 1 82 GLY HA3 5.500 . 5.500 5.384 5.246 5.459 . 0 0 "[ . 1 . 2]" 1
1212 1 81 ASN H 1 82 GLY H 4.580 . 4.580 2.807 2.681 2.897 . 0 0 "[ . 1 . 2]" 1
1213 1 81 ASN QB 1 82 GLY H 4.740 . 4.740 3.774 3.564 3.900 . 0 0 "[ . 1 . 2]" 1
1214 1 82 GLY HA3 1 83 TRP H 4.820 . 4.820 3.179 3.098 3.324 . 0 0 "[ . 1 . 2]" 1
1215 1 83 TRP HA 1 83 TRP HE1 5.170 . 5.170 5.315 5.209 5.480 0.310 2 0 "[ . 1 . 2]" 1
1216 1 83 TRP HD1 1 84 ASP H 5.500 . 5.500 5.655 5.434 5.810 0.310 15 0 "[ . 1 . 2]" 1
1217 1 83 TRP HE3 1 84 ASP H 4.970 . 4.970 3.510 2.822 4.758 . 0 0 "[ . 1 . 2]" 1
1218 1 83 TRP H 1 84 ASP H 5.100 . 5.100 4.502 4.376 4.550 . 0 0 "[ . 1 . 2]" 1
1219 1 84 ASP H 1 85 MET H 5.420 . 5.420 4.240 3.978 4.391 . 0 0 "[ . 1 . 2]" 1
1220 1 84 ASP QB 1 85 MET H 5.170 . 5.170 3.785 3.358 3.983 . 0 0 "[ . 1 . 2]" 1
1221 1 85 MET H 1 85 MET HG3 4.530 . 4.530 3.903 2.959 4.135 . 0 0 "[ . 1 . 2]" 1
1222 1 85 MET H 1 85 MET HG2 4.970 . 4.970 3.231 1.798 4.307 0.002 8 0 "[ . 1 . 2]" 1
1223 1 85 MET HA 1 86 THR H 5.210 . 5.210 2.117 2.043 2.182 . 0 0 "[ . 1 . 2]" 1
1224 1 85 MET HB2 1 86 THR H 5.230 . 5.230 4.272 3.781 4.504 . 0 0 "[ . 1 . 2]" 1
1225 1 85 MET HB3 1 86 THR H 5.500 . 5.500 3.932 3.494 4.331 . 0 0 "[ . 1 . 2]" 1
1226 1 85 MET HG2 1 86 THR H 5.500 . 5.500 5.321 4.856 5.654 0.154 11 0 "[ . 1 . 2]" 1
1227 1 85 MET H 1 86 THR H . . 4.230 3.991 3.912 4.274 0.044 19 0 "[ . 1 . 2]" 1
1228 1 86 THR H 1 86 THR HB 3.930 . 3.930 3.644 3.508 3.802 . 0 0 "[ . 1 . 2]" 1
1229 1 86 THR HA 1 87 MET H 3.760 . 3.760 3.315 2.103 3.525 . 0 0 "[ . 1 . 2]" 1
1230 1 87 MET H 1 88 VAL H . . 4.180 2.969 1.743 3.603 0.057 8 0 "[ . 1 . 2]" 1
1231 1 20 LYS H 1 105 VAL MG2 3.980 . 3.980 2.476 2.180 3.412 . 0 0 "[ . 1 . 2]" 1
1232 1 87 MET HA 1 88 VAL H 3.860 . 3.860 2.579 2.203 3.528 . 0 0 "[ . 1 . 2]" 1
1233 1 87 MET HB3 1 88 VAL H 4.810 . 4.810 4.340 3.952 4.519 . 0 0 "[ . 1 . 2]" 1
1234 1 87 MET HB2 1 88 VAL H 5.010 . 5.010 4.006 2.632 4.313 . 0 0 "[ . 1 . 2]" 1
1235 1 88 VAL HA 1 89 THR H 3.790 . 3.790 2.379 2.235 2.649 . 0 0 "[ . 1 . 2]" 1
1236 1 88 VAL H 1 89 THR H 5.020 . 5.020 4.422 4.275 4.686 . 0 0 "[ . 1 . 2]" 1
1237 1 37 ILE HG12 1 89 THR H 4.000 . 4.000 3.200 2.939 3.900 . 0 0 "[ . 1 . 2]" 1
1238 1 89 THR H 1 90 HIS H 5.500 . 5.500 4.616 4.594 4.647 . 0 0 "[ . 1 . 2]" 1
1239 1 89 THR H 1 92 GLN HE21 5.500 . 5.500 3.985 3.036 4.371 . 0 0 "[ . 1 . 2]" 1
1240 1 89 THR H 1 92 GLN H . . 5.140 4.150 3.958 4.263 . 0 0 "[ . 1 . 2]" 1
1241 1 36 GLY QA 1 90 HIS H 4.200 . 4.200 2.260 2.056 2.815 . 0 0 "[ . 1 . 2]" 1
1242 1 38 ASP HB2 1 90 HIS H 5.500 . 5.500 2.730 2.206 4.047 . 0 0 "[ . 1 . 2]" 1
1243 1 55 ILE MD 1 90 HIS H 5.500 . 5.500 4.341 3.257 4.616 . 0 0 "[ . 1 . 2]" 1
1244 1 90 HIS H 1 90 HIS HD2 5.500 . 5.500 5.008 4.925 5.073 . 0 0 "[ . 1 . 2]" 1
1245 1 90 HIS H 1 91 ASP QB 5.500 . 5.500 4.537 4.345 4.872 . 0 0 "[ . 1 . 2]" 1
1246 1 90 HIS H 1 91 ASP H . . 3.340 2.560 2.477 2.681 . 0 0 "[ . 1 . 2]" 1
1247 1 90 HIS H 1 92 GLN H 5.500 . 5.500 3.920 3.826 4.020 . 0 0 "[ . 1 . 2]" 1
1248 1 39 GLN QG 1 91 ASP H 5.500 . 5.500 5.344 5.240 5.431 . 0 0 "[ . 1 . 2]" 1
1249 1 38 ASP H 1 91 ASP H 5.500 . 5.500 5.283 4.546 5.516 0.016 11 0 "[ . 1 . 2]" 1
1250 1 55 ILE MD 1 91 ASP H 5.500 . 5.500 5.556 4.395 5.844 0.344 17 0 "[ . 1 . 2]" 1
1251 1 89 THR H 1 91 ASP H 5.460 . 5.460 5.338 5.180 5.487 0.027 20 0 "[ . 1 . 2]" 1
1252 1 90 HIS HA 1 91 ASP H 4.500 . 4.500 3.430 3.376 3.477 . 0 0 "[ . 1 . 2]" 1
1253 1 90 HIS HD2 1 91 ASP H 5.150 . 5.150 4.918 4.778 5.033 . 0 0 "[ . 1 . 2]" 1
1254 1 91 ASP H 1 92 GLN H 3.360 . 3.360 2.469 2.413 2.518 . 0 0 "[ . 1 . 2]" 1
1255 1 91 ASP H 1 93 ALA H 5.500 . 5.500 4.179 3.881 4.309 . 0 0 "[ . 1 . 2]" 1
1256 1 91 ASP H 1 94 ARG HB2 5.230 . 5.230 4.823 4.561 4.996 . 0 0 "[ . 1 . 2]" 1
1257 1 91 ASP H 1 94 ARG HB3 5.500 . 5.500 4.992 4.720 5.396 . 0 0 "[ . 1 . 2]" 1
1258 1 88 VAL QG 1 92 GLN H 4.870 . 4.870 3.621 3.480 4.171 . 0 0 "[ . 1 . 2]" 1
1259 1 92 GLN H 1 93 ALA MB 4.670 . 4.670 4.289 4.108 4.407 . 0 0 "[ . 1 . 2]" 1
1260 1 90 HIS HB3 1 92 GLN H 5.500 . 5.500 4.782 4.686 4.900 . 0 0 "[ . 1 . 2]" 1
1261 1 92 GLN H 1 93 ALA H . . 4.450 2.567 2.384 2.680 . 0 0 "[ . 1 . 2]" 1
1262 1 92 GLN H 1 94 ARG H . . 5.490 3.813 3.704 3.917 . 0 0 "[ . 1 . 2]" 1
1263 1 88 VAL QG 1 92 GLN HE21 5.500 . 5.500 2.100 1.505 2.966 0.295 3 0 "[ . 1 . 2]" 1
1264 1 92 GLN HA 1 92 GLN HE22 5.500 . 5.500 4.695 4.408 5.582 0.082 13 0 "[ . 1 . 2]" 1
1265 1 92 GLN HA 1 92 GLN HE21 5.500 . 5.500 4.562 4.351 5.058 . 0 0 "[ . 1 . 2]" 1
1266 1 92 GLN HB2 1 93 ALA H 4.320 . 4.320 3.795 3.715 3.941 . 0 0 "[ . 1 . 2]" 1
1267 1 33 ILE MD 1 93 ALA H 5.240 . 5.240 4.922 4.606 5.210 . 0 0 "[ . 1 . 2]" 1
1268 1 55 ILE MD 1 93 ALA H 5.050 . 5.050 3.897 3.313 4.508 . 0 0 "[ . 1 . 2]" 1
1269 1 55 ILE MG 1 93 ALA H 5.180 . 5.180 4.838 4.088 5.257 0.077 8 0 "[ . 1 . 2]" 1
1270 1 88 VAL QG 1 93 ALA H 4.270 . 4.270 2.918 2.534 3.203 . 0 0 "[ . 1 . 2]" 1
1271 1 91 ASP QB 1 93 ALA H 5.500 . 5.500 4.880 4.757 5.044 . 0 0 "[ . 1 . 2]" 1
1272 1 92 GLN HB3 1 93 ALA H 3.940 . 3.940 2.402 2.274 2.650 . 0 0 "[ . 1 . 2]" 1
1273 1 93 ALA H 1 94 ARG HA 5.500 . 5.500 5.091 5.013 5.179 . 0 0 "[ . 1 . 2]" 1
1274 1 93 ALA H 1 94 ARG HB3 4.910 . 4.910 4.875 4.624 5.010 0.100 8 0 "[ . 1 . 2]" 1
1275 1 93 ALA H 1 94 ARG H . . 4.270 2.448 2.338 2.545 . 0 0 "[ . 1 . 2]" 1
1276 1 88 VAL QG 1 94 ARG H 5.140 . 5.140 4.824 4.379 5.088 . 0 0 "[ . 1 . 2]" 1
1277 1 90 HIS HD2 1 94 ARG H 5.500 . 5.500 3.823 3.697 4.114 . 0 0 "[ . 1 . 2]" 1
1278 1 91 ASP QB 1 94 ARG H 5.500 . 5.500 4.756 4.670 4.831 . 0 0 "[ . 1 . 2]" 1
1279 1 94 ARG H 1 94 ARG QD 5.110 . 5.110 4.604 4.204 4.715 . 0 0 "[ . 1 . 2]" 1
1280 1 94 ARG H 1 95 LYS H 3.390 . 3.390 2.642 2.561 2.781 . 0 0 "[ . 1 . 2]" 1
1281 1 94 ARG H 1 96 ARG H 5.460 . 5.460 4.012 3.875 4.182 . 0 0 "[ . 1 . 2]" 1
1282 1 94 ARG H 1 97 LEU QD 5.500 . 5.500 4.565 3.791 5.377 . 0 0 "[ . 1 . 2]" 1
1283 1 91 ASP HA 1 95 LYS H 4.740 . 4.740 3.564 3.292 3.716 . 0 0 "[ . 1 . 2]" 1
1284 1 93 ALA H 1 95 LYS H 5.500 . 5.500 4.095 3.873 4.326 . 0 0 "[ . 1 . 2]" 1
1285 1 95 LYS H 1 95 LYS QE 5.500 . 5.500 5.378 4.706 5.700 0.200 1 0 "[ . 1 . 2]" 1
1286 1 95 LYS H 1 96 ARG H . . 3.200 2.508 2.463 2.566 . 0 0 "[ . 1 . 2]" 1
1287 1 96 ARG H 1 97 LEU H 3.380 . 3.380 2.541 2.386 2.734 . 0 0 "[ . 1 . 2]" 1
1288 1 96 ARG H 1 98 THR H 5.300 . 5.300 4.146 3.697 4.763 . 0 0 "[ . 1 . 2]" 1
1289 1 96 ARG HA 1 97 LEU H 4.880 . 4.880 3.470 3.399 3.561 . 0 0 "[ . 1 . 2]" 1
1290 1 95 LYS H 1 97 LEU H 5.370 . 5.370 3.988 3.716 4.434 . 0 0 "[ . 1 . 2]" 1
1291 1 96 ARG QB 1 97 LEU H 3.420 . 3.420 2.822 2.462 3.021 . 0 0 "[ . 1 . 2]" 1
1292 1 97 LEU H 1 98 THR H 4.200 . 4.200 2.558 2.285 3.013 . 0 0 "[ . 1 . 2]" 1
1293 1 95 LYS HA 1 98 THR H 5.170 . 5.170 3.513 3.210 4.037 . 0 0 "[ . 1 . 2]" 1
1294 1 97 LEU HA 1 98 THR H 4.990 . 4.990 3.473 3.271 3.590 . 0 0 "[ . 1 . 2]" 1
1295 1 97 LEU HG 1 98 THR H 4.700 . 4.700 3.746 2.804 4.826 0.126 19 0 "[ . 1 . 2]" 1
1296 1 97 LEU QD 1 98 THR H 4.210 . 4.210 3.082 2.266 3.809 . 0 0 "[ . 1 . 2]" 1
1297 1 98 THR H 1 99 LYS H . . 4.160 3.362 2.322 3.936 . 0 0 "[ . 1 . 2]" 1
1298 1 95 LYS QE 1 99 LYS H 5.500 . 5.500 5.269 3.039 5.666 0.166 19 0 "[ . 1 . 2]" 1
1299 1 99 LYS H 1 101 SER H 5.110 . 5.110 4.226 2.984 5.109 . 0 0 "[ . 1 . 2]" 1
1300 1 97 LEU QD 1 99 LYS H 4.810 . 4.810 4.691 4.061 5.053 0.243 17 0 "[ . 1 . 2]" 1
1301 1 98 THR HA 1 99 LYS H 4.060 . 4.060 2.535 2.037 3.524 . 0 0 "[ . 1 . 2]" 1
1302 1 99 LYS H 1 99 LYS HG2 4.550 . 4.550 3.877 2.103 4.723 0.173 4 0 "[ . 1 . 2]" 1
1303 1 99 LYS H 1 99 LYS QE 5.500 . 5.500 3.534 2.762 4.743 . 0 0 "[ . 1 . 2]" 1
1304 1 99 LYS H 1 100 ARG HA 5.080 . 5.080 4.644 3.993 5.276 0.196 5 0 "[ . 1 . 2]" 1
1305 1 99 LYS H 1 100 ARG H 4.760 . 4.760 3.359 1.887 4.399 . 0 0 "[ . 1 . 2]" 1
1306 1 98 THR HA 1 100 ARG H 5.170 . 5.170 4.425 2.893 5.428 0.258 14 0 "[ . 1 . 2]" 1
1307 1 99 LYS HG3 1 100 ARG H 4.830 . 4.830 4.504 3.656 5.391 0.561 1 1 "[+ . 1 . 2]" 1
1308 1 99 LYS HG2 1 100 ARG H 5.460 . 5.460 3.968 3.317 5.031 . 0 0 "[ . 1 . 2]" 1
1309 1 100 ARG H 1 101 SER H . . 4.940 2.879 1.762 3.784 0.038 3 0 "[ . 1 . 2]" 1
1310 1 100 ARG H 1 102 GLU H 5.500 . 5.500 4.531 2.608 5.476 . 0 0 "[ . 1 . 2]" 1
1311 1 99 LYS HG2 1 101 SER H 4.800 . 4.800 3.861 2.137 5.394 0.594 9 1 "[ . +1 . 2]" 1
1312 1 101 SER H 1 102 GLU HA 5.500 . 5.500 4.606 4.020 5.049 . 0 0 "[ . 1 . 2]" 1
1313 1 101 SER H 1 102 GLU H . . 4.150 2.200 1.739 3.339 0.061 16 0 "[ . 1 . 2]" 1
1314 1 99 LYS HG2 1 102 GLU H 4.990 . 4.990 4.729 3.332 5.673 0.683 9 2 "[- . +1 . 2]" 1
1315 1 101 SER HB3 1 102 GLU H 4.940 . 4.940 3.689 2.347 4.658 . 0 0 "[ . 1 . 2]" 1
1316 1 101 SER HB2 1 102 GLU H 5.110 . 5.110 3.810 2.517 4.507 . 0 0 "[ . 1 . 2]" 1
1317 1 102 GLU H 1 103 GLU H 4.990 . 4.990 4.311 1.988 4.651 . 0 0 "[ . 1 . 2]" 1
1318 1 102 GLU HA 1 103 GLU H 4.520 . 4.520 2.365 2.082 3.518 . 0 0 "[ . 1 . 2]" 1
1319 1 102 GLU QB 1 103 GLU H 5.020 . 5.020 2.907 2.353 3.684 . 0 0 "[ . 1 . 2]" 1
1320 1 103 GLU H 1 104 VAL H . . 3.970 2.362 1.878 3.257 . 0 0 "[ . 1 . 2]" 1
1321 1 103 GLU H 1 104 VAL MG1 5.500 . 5.500 3.675 3.178 4.850 . 0 0 "[ . 1 . 2]" 1
1322 1 104 VAL HA 1 105 VAL H 3.600 . 3.600 2.313 2.180 2.439 . 0 0 "[ . 1 . 2]" 1
1323 1 105 VAL H 1 105 VAL HB 4.320 . 4.320 2.575 2.463 2.730 . 0 0 "[ . 1 . 2]" 1
1324 1 105 VAL H 1 105 VAL MG1 4.040 . 4.040 3.742 3.484 3.814 . 0 0 "[ . 1 . 2]" 1
1325 1 105 VAL HA 1 106 ARG H 3.730 . 3.730 1.995 1.960 2.038 . 0 0 "[ . 1 . 2]" 1
1326 1 106 ARG H 1 106 ARG HB2 4.060 . 4.060 2.400 2.307 2.502 . 0 0 "[ . 1 . 2]" 1
1327 1 106 ARG H 1 107 LEU H . . 4.830 4.394 4.358 4.456 . 0 0 "[ . 1 . 2]" 1
1328 1 106 ARG HA 1 107 LEU H 5.020 . 5.020 2.130 2.107 2.172 . 0 0 "[ . 1 . 2]" 1
1329 1 107 LEU H 1 107 LEU HG 4.810 . 4.810 4.359 2.564 4.695 . 0 0 "[ . 1 . 2]" 1
1330 1 107 LEU H 1 107 LEU QD 5.190 . 5.190 3.775 2.202 3.994 . 0 0 "[ . 1 . 2]" 1
1331 1 107 LEU H 1 108 LEU H 5.500 . 5.500 4.299 4.169 4.367 . 0 0 "[ . 1 . 2]" 1
1332 1 107 LEU HA 1 108 LEU H 3.860 . 3.860 2.206 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
1333 1 108 LEU H 1 108 LEU QD 4.060 . 4.060 3.822 3.731 3.872 . 0 0 "[ . 1 . 2]" 1
1334 1 108 LEU HA 1 109 VAL H 3.590 . 3.590 2.181 2.148 2.231 . 0 0 "[ . 1 . 2]" 1
1335 1 108 LEU HG 1 109 VAL H 5.500 . 5.500 3.503 3.212 3.729 . 0 0 "[ . 1 . 2]" 1
1336 1 108 LEU H 1 109 VAL H 5.410 . 5.410 4.299 4.176 4.449 . 0 0 "[ . 1 . 2]" 1
1337 1 108 LEU QD 1 109 VAL H 3.980 . 3.980 2.341 1.953 3.294 . 0 0 "[ . 1 . 2]" 1
1338 1 50 LYS QG 1 110 THR H 5.000 . 5.000 4.865 4.275 5.258 0.258 11 0 "[ . 1 . 2]" 1
1339 1 109 VAL H 1 110 THR H 4.900 . 4.900 4.372 4.260 4.454 . 0 0 "[ . 1 . 2]" 1
1340 1 110 THR H 1 111 ARG H 5.300 . 5.300 4.359 4.289 4.477 . 0 0 "[ . 1 . 2]" 1
1341 1 111 ARG H 1 112 GLN HA 5.360 . 5.360 4.980 4.709 5.204 . 0 0 "[ . 1 . 2]" 1
1342 1 111 ARG HA 1 112 GLN H 3.850 . 3.850 2.226 2.122 2.385 . 0 0 "[ . 1 . 2]" 1
1343 1 111 ARG HG3 1 112 GLN H 4.210 . 4.210 3.105 2.543 3.846 . 0 0 "[ . 1 . 2]" 1
1344 1 111 ARG HG2 1 112 GLN H 4.150 . 4.150 3.375 1.936 4.180 0.030 1 0 "[ . 1 . 2]" 1
1345 1 112 GLN H 1 112 GLN HB3 3.720 . 3.720 3.311 2.680 3.562 . 0 0 "[ . 1 . 2]" 1
1346 1 112 GLN H 1 112 GLN QE 5.500 . 5.500 2.463 1.695 2.992 0.105 1 0 "[ . 1 . 2]" 1
1347 1 112 GLN H 1 113 SER H 4.550 . 4.550 2.775 1.852 4.068 . 0 0 "[ . 1 . 2]" 1
1348 1 112 GLN H 1 113 SER QB 5.500 . 5.500 4.944 4.183 5.664 0.164 18 0 "[ . 1 . 2]" 1
1349 1 112 GLN H 1 114 LEU H 5.500 . 5.500 3.628 2.935 5.597 0.097 15 0 "[ . 1 . 2]" 1
1350 1 112 GLN H 1 114 LEU MD2 5.410 . 5.410 3.401 2.125 4.929 . 0 0 "[ . 1 . 2]" 1
1351 1 112 GLN QE 1 114 LEU MD2 5.500 . 5.500 3.069 1.746 4.541 0.054 13 0 "[ . 1 . 2]" 1
1352 1 110 THR HB 1 112 GLN QE 5.500 . 5.500 3.825 3.520 4.269 . 0 0 "[ . 1 . 2]" 1
1353 1 112 GLN HA 1 112 GLN QE 5.500 . 5.500 4.219 3.140 4.750 . 0 0 "[ . 1 . 2]" 1
1354 1 111 ARG HG2 1 113 SER H 5.290 . 5.290 4.991 4.195 6.062 0.772 19 1 "[ . 1 . +2]" 1
1355 1 112 GLN HG2 1 113 SER H 4.760 . 4.760 2.043 1.713 3.152 0.087 1 0 "[ . 1 . 2]" 1
1356 1 113 SER H 1 114 LEU H 4.430 . 4.430 2.421 1.724 3.821 0.076 12 0 "[ . 1 . 2]" 1
1357 1 113 SER H 1 114 LEU QB 5.260 . 5.260 4.083 3.373 5.360 0.100 18 0 "[ . 1 . 2]" 1
1358 1 113 SER H 1 114 LEU MD2 4.830 . 4.830 2.380 1.694 3.377 0.106 15 0 "[ . 1 . 2]" 1
1359 1 112 GLN HB2 1 114 LEU H 5.440 . 5.440 4.976 4.254 5.500 0.060 12 0 "[ . 1 . 2]" 1
1360 1 112 GLN HG2 1 114 LEU H 5.440 . 5.440 3.671 2.969 5.040 . 0 0 "[ . 1 . 2]" 1
1361 1 114 LEU H 1 114 LEU QB 3.370 . 3.370 2.605 2.200 3.422 0.052 15 0 "[ . 1 . 2]" 1
1362 1 114 LEU H 1 114 LEU MD2 4.410 . 4.410 2.511 1.600 3.454 0.200 16 0 "[ . 1 . 2]" 1
1363 1 114 LEU H 1 115 GLN QG 5.490 . 5.490 4.186 2.762 5.495 0.005 12 0 "[ . 1 . 2]" 1
1364 1 114 LEU QB 1 115 GLN H 3.820 . 3.820 3.497 2.811 3.834 0.014 1 0 "[ . 1 . 2]" 1
1365 1 114 LEU MD1 1 115 GLN H 4.320 . 4.320 4.252 3.603 4.622 0.302 14 0 "[ . 1 . 2]" 1
1366 1 115 GLN H 1 115 GLN HE21 5.500 . 5.500 3.128 1.937 4.453 . 0 0 "[ . 1 . 2]" 1
1367 1 114 LEU MD1 1 115 GLN HE21 5.500 . 5.500 5.543 4.609 6.359 0.859 15 3 "[ - . 1 * + 2]" 1
1368 1 115 GLN QG 1 116 LYS H 4.780 . 4.780 3.872 2.585 4.603 . 0 0 "[ . 1 . 2]" 1
1369 1 116 LYS H 1 116 LYS QG 4.190 . 4.190 2.792 1.866 4.122 . 0 0 "[ . 1 . 2]" 1
1370 1 116 LYS H 1 118 VAL HB 4.330 . 4.330 4.100 3.222 4.431 0.101 4 0 "[ . 1 . 2]" 1
1371 1 116 LYS H 1 118 VAL QG 5.500 . 5.500 3.757 3.026 4.663 . 0 0 "[ . 1 . 2]" 1
1372 1 116 LYS HA 1 117 ALA H 3.120 . 3.120 2.612 2.140 3.481 0.361 6 0 "[ . 1 . 2]" 1
1373 1 117 ALA H 1 118 VAL HB 5.500 . 5.500 4.819 3.769 5.454 . 0 0 "[ . 1 . 2]" 1
1374 1 117 ALA MB 1 119 GLN H 5.500 . 5.500 4.894 3.912 5.570 0.070 9 0 "[ . 1 . 2]" 1
1375 1 118 VAL H 1 119 GLN H 4.480 . 4.480 2.995 1.789 4.562 0.082 19 0 "[ . 1 . 2]" 1
1376 1 118 VAL QG 1 119 GLN H 4.310 . 4.310 2.479 1.807 3.369 . 0 0 "[ . 1 . 2]" 1
1377 1 119 GLN H 1 119 GLN HB3 3.690 . 3.690 3.258 2.479 3.708 0.018 15 0 "[ . 1 . 2]" 1
1378 1 119 GLN H 1 119 GLN HB2 3.550 . 3.550 2.869 2.284 3.656 0.106 14 0 "[ . 1 . 2]" 1
1379 1 119 GLN H 1 119 GLN QG 4.360 . 4.360 2.966 1.847 4.210 . 0 0 "[ . 1 . 2]" 1
1380 1 118 VAL QG 1 119 GLN HE21 5.500 . 5.500 4.048 2.310 5.595 0.095 17 0 "[ . 1 . 2]" 1
1381 1 118 VAL QG 1 120 GLN H 5.500 . 5.500 4.191 3.532 4.780 . 0 0 "[ . 1 . 2]" 1
1382 1 120 GLN H 1 120 GLN HB2 4.050 . 4.050 3.227 2.408 3.987 . 0 0 "[ . 1 . 2]" 1
1383 1 120 GLN H 1 120 GLN QG 4.690 . 4.690 2.638 1.887 3.327 . 0 0 "[ . 1 . 2]" 1
1384 1 120 GLN HA 1 121 SER H 4.030 . 4.030 2.482 2.103 3.543 . 0 0 "[ . 1 . 2]" 1
1385 1 120 GLN HB3 1 121 SER H 5.090 . 5.090 3.622 1.621 4.430 0.179 18 0 "[ . 1 . 2]" 1
1386 1 120 GLN QG 1 121 SER H 5.500 . 5.500 4.069 2.348 4.531 . 0 0 "[ . 1 . 2]" 1
1387 1 121 SER HA 1 122 MET H 3.940 . 3.940 2.600 2.120 3.564 . 0 0 "[ . 1 . 2]" 1
1388 1 121 SER QB 1 122 MET H 5.440 . 5.440 3.147 1.789 3.963 0.011 8 0 "[ . 1 . 2]" 1
1389 1 122 MET H 1 122 MET HG2 4.890 . 4.890 3.439 2.193 4.665 . 0 0 "[ . 1 . 2]" 1
1390 1 122 MET HA 1 123 LEU H 3.490 . 3.490 2.651 2.117 3.522 0.032 15 0 "[ . 1 . 2]" 1
1391 1 123 LEU H 1 123 LEU QB 3.450 . 3.450 2.702 2.237 3.381 . 0 0 "[ . 1 . 2]" 1
1392 1 123 LEU HA 1 124 SER H 3.340 . 3.340 2.403 2.121 3.078 . 0 0 "[ . 1 . 2]" 1
1393 1 123 LEU QB 1 124 SER H 4.270 . 4.270 3.231 1.870 4.014 . 0 0 "[ . 1 . 2]" 1
1394 1 123 LEU QD 1 124 SER H 4.900 . 4.900 3.271 2.226 4.348 . 0 0 "[ . 1 . 2]" 1
1395 1 82 GLY H 1 106 ARG H 5.500 . 5.500 5.433 4.953 5.653 0.153 18 0 "[ . 1 . 2]" 1
1396 1 78 MET QG 1 108 LEU H 5.500 . 5.500 5.587 4.692 5.729 0.229 4 0 "[ . 1 . 2]" 1
1397 1 22 ARG H 1 28 ILE H 5.500 . 5.500 4.425 3.950 4.632 . 0 0 "[ . 1 . 2]" 1
1398 1 72 GLN QE 1 112 GLN H 5.500 . 5.500 3.433 2.389 4.405 . 0 0 "[ . 1 . 2]" 1
1399 1 79 GLN HE21 1 108 LEU QB 5.500 . 5.500 4.335 3.996 4.900 . 0 0 "[ . 1 . 2]" 1
1400 1 118 VAL QG 1 119 GLN HE22 5.150 . 5.150 4.821 3.224 5.656 0.506 2 1 "[ + . 1 . 2]" 1
1401 1 12 VAL H 1 110 THR HB 5.500 . 5.500 5.568 5.453 5.638 0.138 19 0 "[ . 1 . 2]" 1
1402 1 12 VAL H 1 111 ARG HA 5.400 . 5.400 4.999 4.806 5.339 . 0 0 "[ . 1 . 2]" 1
1403 1 12 VAL H 1 111 ARG H 4.500 . 4.500 3.577 3.330 3.841 . 0 0 "[ . 1 . 2]" 1
1404 1 13 VAL H 1 110 THR HA 5.500 . 5.500 4.441 4.011 4.853 . 0 0 "[ . 1 . 2]" 1
1405 1 14 GLN H 1 110 THR HB 5.500 . 5.500 5.681 5.546 5.767 0.267 1 0 "[ . 1 . 2]" 1
1406 1 14 GLN H 1 109 VAL HA 5.500 . 5.500 5.057 4.859 5.357 . 0 0 "[ . 1 . 2]" 1
1407 1 14 GLN H 1 109 VAL QG 4.320 . 4.320 2.873 2.563 3.185 . 0 0 "[ . 1 . 2]" 1
1408 1 15 ARG H 1 108 LEU QD 4.540 . 4.540 4.435 3.885 4.639 0.099 5 0 "[ . 1 . 2]" 1
1409 1 16 VAL H 1 107 LEU H 4.880 . 4.880 3.603 3.321 3.954 . 0 0 "[ . 1 . 2]" 1
1410 1 17 GLU H 1 107 LEU QD 5.500 . 5.500 5.371 4.151 5.594 0.094 18 0 "[ . 1 . 2]" 1
1411 1 18 ILE H 1 104 VAL MG2 4.630 . 4.630 3.422 3.114 3.704 . 0 0 "[ . 1 . 2]" 1
1412 1 18 ILE H 1 107 LEU H 5.310 . 5.310 4.940 4.798 5.103 . 0 0 "[ . 1 . 2]" 1
1413 1 19 HIS H 1 65 PRO HB2 5.500 . 5.500 4.819 4.419 5.444 . 0 0 "[ . 1 . 2]" 1
1414 1 19 HIS H 1 65 PRO HB3 5.250 . 5.250 5.200 4.000 5.395 0.145 15 0 "[ . 1 . 2]" 1
1415 1 19 HIS H 1 104 VAL HA 5.340 . 5.340 4.404 4.070 4.798 . 0 0 "[ . 1 . 2]" 1
1416 1 19 HIS H 1 104 VAL MG2 5.380 . 5.380 3.673 3.273 4.097 . 0 0 "[ . 1 . 2]" 1
1417 1 20 LYS H 1 104 VAL H 5.500 . 5.500 4.279 3.900 4.555 . 0 0 "[ . 1 . 2]" 1
1418 1 20 LYS H 1 104 VAL MG2 4.680 . 4.680 4.018 3.718 4.277 . 0 0 "[ . 1 . 2]" 1
1419 1 21 LEU H 1 28 ILE MG 4.590 . 4.590 4.295 3.750 4.619 0.029 12 0 "[ . 1 . 2]" 1
1420 1 21 LEU H 1 27 LEU HA 5.500 . 5.500 4.135 3.746 4.777 . 0 0 "[ . 1 . 2]" 1
1421 1 21 LEU H 1 27 LEU HG 4.110 . 4.110 4.238 4.169 4.436 0.326 8 0 "[ . 1 . 2]" 1
1422 1 21 LEU H 1 27 LEU QB 4.150 . 4.150 3.854 3.126 4.348 0.198 5 0 "[ . 1 . 2]" 1
1423 1 21 LEU H 1 27 LEU QD 5.070 . 5.070 3.819 1.798 4.463 0.002 14 0 "[ . 1 . 2]" 1
1424 1 21 LEU H 1 28 ILE H 4.200 . 4.200 3.032 2.436 3.507 . 0 0 "[ . 1 . 2]" 1
1425 1 20 LYS HA 1 22 ARG H 5.500 . 5.500 5.348 5.070 5.604 0.104 13 0 "[ . 1 . 2]" 1
1426 1 20 LYS QB 1 22 ARG H 5.500 . 5.500 4.669 3.930 5.220 . 0 0 "[ . 1 . 2]" 1
1427 1 20 LYS QE 1 22 ARG H 5.260 . 5.260 4.313 3.192 5.392 0.132 2 0 "[ . 1 . 2]" 1
1428 1 21 LEU HG 1 23 GLN H 5.500 . 5.500 5.390 4.962 5.536 0.036 20 0 "[ . 1 . 2]" 1
1429 1 23 GLN H 1 25 GLU HA 5.500 . 5.500 5.053 4.747 5.506 0.006 8 0 "[ . 1 . 2]" 1
1430 1 23 GLN H 1 26 ASN HB2 5.360 . 5.360 3.492 2.975 4.814 . 0 0 "[ . 1 . 2]" 1
1431 1 23 GLN H 1 26 ASN HB3 5.500 . 5.500 4.755 4.280 5.456 . 0 0 "[ . 1 . 2]" 1
1432 1 23 GLN H 1 26 ASN H . . 4.670 2.817 2.364 3.204 . 0 0 "[ . 1 . 2]" 1
1433 1 23 GLN H 1 27 LEU HA 4.420 . 4.420 3.239 2.311 3.825 . 0 0 "[ . 1 . 2]" 1
1434 1 23 GLN H 1 28 ILE H 5.210 . 5.210 4.277 3.856 4.602 . 0 0 "[ . 1 . 2]" 1
1435 1 23 GLN H 1 28 ILE MD 4.390 . 4.390 3.840 3.216 4.464 0.074 13 0 "[ . 1 . 2]" 1
1436 1 23 GLN HE22 1 28 ILE MG 4.630 . 4.630 4.658 4.150 5.186 0.556 10 1 "[ . + . 2]" 1
1437 1 23 GLN HE22 1 28 ILE MD 4.990 . 4.990 4.284 3.235 5.243 0.253 10 0 "[ . 1 . 2]" 1
1438 1 23 GLN HE21 1 28 ILE QG 5.370 . 5.370 3.433 2.067 4.742 . 0 0 "[ . 1 . 2]" 1
1439 1 23 GLN HE22 1 28 ILE QG 5.500 . 5.500 3.951 3.249 4.645 . 0 0 "[ . 1 . 2]" 1
1440 1 23 GLN HA 1 26 ASN H 5.500 . 5.500 4.549 4.330 4.729 . 0 0 "[ . 1 . 2]" 1
1441 1 23 GLN HB3 1 26 ASN HD21 5.500 . 5.500 2.836 2.238 4.131 . 0 0 "[ . 1 . 2]" 1
1442 1 23 GLN HB3 1 26 ASN HD22 5.500 . 5.500 3.998 2.817 5.594 0.094 18 0 "[ . 1 . 2]" 1
1443 1 23 GLN HB2 1 26 ASN HD21 5.500 . 5.500 4.037 2.383 5.657 0.157 1 0 "[ . 1 . 2]" 1
1444 1 23 GLN HB2 1 26 ASN HD22 5.500 . 5.500 5.253 3.927 5.685 0.185 17 0 "[ . 1 . 2]" 1
1445 1 24 GLY HA3 1 26 ASN HD21 5.500 . 5.500 3.982 3.694 4.952 . 0 0 "[ . 1 . 2]" 1
1446 1 20 LYS HA 1 28 ILE H 5.500 . 5.500 5.033 4.526 5.482 . 0 0 "[ . 1 . 2]" 1
1447 1 21 LEU HA 1 28 ILE H 5.500 . 5.500 4.339 3.969 4.646 . 0 0 "[ . 1 . 2]" 1
1448 1 21 LEU HG 1 28 ILE H 4.460 . 4.460 4.059 3.809 4.257 . 0 0 "[ . 1 . 2]" 1
1449 1 55 ILE H 1 77 ILE HB 5.500 . 5.500 3.792 3.468 4.297 . 0 0 "[ . 1 . 2]" 1
1450 1 57 VAL H 1 75 ASP H . . 4.300 2.707 2.428 2.930 . 0 0 "[ . 1 . 2]" 1
1451 1 59 ARG H 1 73 ILE HA 5.500 . 5.500 2.758 2.001 3.466 . 0 0 "[ . 1 . 2]" 1
1452 1 66 ALA H 1 71 LEU QD 5.500 . 5.500 5.080 4.252 5.267 . 0 0 "[ . 1 . 2]" 1
1453 1 67 GLU H 1 71 LEU QD 5.500 . 5.500 5.454 4.580 5.637 0.137 11 0 "[ . 1 . 2]" 1
1454 1 69 ALA H 1 71 LEU H . . 4.920 4.543 4.160 4.850 . 0 0 "[ . 1 . 2]" 1
1455 1 16 VAL QG 1 70 GLY H 4.780 . 4.780 3.572 3.358 3.852 . 0 0 "[ . 1 . 2]" 1
1456 1 60 VAL QG 1 71 LEU H 3.770 . 3.770 3.135 2.596 3.387 . 0 0 "[ . 1 . 2]" 1
1457 1 66 ALA HA 1 71 LEU H 5.280 . 5.280 4.278 3.935 4.626 . 0 0 "[ . 1 . 2]" 1
1458 1 67 GLU HB2 1 71 LEU H 5.400 . 5.400 5.198 4.676 5.468 0.068 20 0 "[ . 1 . 2]" 1
1459 1 72 GLN QE 1 109 VAL QG 5.500 . 5.500 3.437 2.965 3.837 . 0 0 "[ . 1 . 2]" 1
1460 1 72 GLN QE 1 114 LEU QB 5.500 . 5.500 3.164 2.223 4.356 . 0 0 "[ . 1 . 2]" 1
1461 1 72 GLN QE 1 111 ARG HG2 5.500 . 5.500 3.303 2.256 3.984 . 0 0 "[ . 1 . 2]" 1
1462 1 72 GLN QE 1 114 LEU MD1 5.500 . 5.500 4.428 2.140 5.471 . 0 0 "[ . 1 . 2]" 1
1463 1 60 VAL QG 1 73 ILE H 4.270 . 4.270 1.910 1.734 2.943 0.066 6 0 "[ . 1 . 2]" 1
1464 1 57 VAL HB 1 74 GLY H 4.860 . 4.860 5.001 3.271 5.209 0.349 16 0 "[ . 1 . 2]" 1
1465 1 57 VAL H 1 74 GLY H 5.500 . 5.500 5.079 4.890 5.528 0.028 5 0 "[ . 1 . 2]" 1
1466 1 58 THR HA 1 74 GLY H 5.220 . 5.220 4.921 4.454 5.262 0.042 8 0 "[ . 1 . 2]" 1
1467 1 59 ARG H 1 74 GLY H 5.500 . 5.500 4.874 4.018 5.514 0.014 1 0 "[ . 1 . 2]" 1
1468 1 56 TYR HA 1 75 ASP H 5.500 . 5.500 4.498 4.069 4.995 . 0 0 "[ . 1 . 2]" 1
1469 1 56 TYR QD 1 75 ASP H 5.390 . 5.390 5.149 4.550 5.720 0.330 20 0 "[ . 1 . 2]" 1
1470 1 56 TYR QB 1 75 ASP H 3.920 . 3.920 3.699 3.401 3.876 . 0 0 "[ . 1 . 2]" 1
1471 1 76 LYS H 1 109 VAL HA 5.500 . 5.500 4.749 4.337 5.152 . 0 0 "[ . 1 . 2]" 1
1472 1 76 LYS H 1 110 THR H 4.710 . 4.710 3.208 2.871 3.557 . 0 0 "[ . 1 . 2]" 1
1473 1 55 ILE HB 1 77 ILE H 5.460 . 5.460 4.276 3.728 4.778 . 0 0 "[ . 1 . 2]" 1
1474 1 56 TYR HA 1 77 ILE H 5.110 . 5.110 2.065 1.800 2.328 . 0 0 "[ . 1 . 2]" 1
1475 1 56 TYR QD 1 77 ILE H 5.500 . 5.500 4.041 3.395 4.724 . 0 0 "[ . 1 . 2]" 1
1476 1 56 TYR QB 1 77 ILE H 5.500 . 5.500 3.037 2.411 4.035 . 0 0 "[ . 1 . 2]" 1
1477 1 77 ILE H 1 109 VAL HA 5.500 . 5.500 4.321 4.125 4.594 . 0 0 "[ . 1 . 2]" 1
1478 1 78 MET H 1 108 LEU QB 5.480 . 5.480 3.337 2.835 3.682 . 0 0 "[ . 1 . 2]" 1
1479 1 78 MET H 1 108 LEU H . . 5.010 4.188 3.950 4.399 . 0 0 "[ . 1 . 2]" 1
1480 1 78 MET H 1 110 THR H 5.500 . 5.500 3.597 3.450 3.744 . 0 0 "[ . 1 . 2]" 1
1481 1 79 GLN H 1 85 MET HG3 5.500 . 5.500 5.045 3.531 6.268 0.768 11 2 "[ . 1+ .- 2]" 1
1482 1 79 GLN H 1 108 LEU HA 5.500 . 5.500 4.645 4.240 4.943 . 0 0 "[ . 1 . 2]" 1
1483 1 79 GLN H 1 108 LEU QB 4.370 . 4.370 2.381 1.984 2.818 . 0 0 "[ . 1 . 2]" 1
1484 1 79 GLN H 1 108 LEU H 4.650 . 4.650 2.912 2.544 3.230 . 0 0 "[ . 1 . 2]" 1
1485 1 79 GLN HE22 1 82 GLY HA2 5.500 . 5.500 3.135 2.780 3.566 . 0 0 "[ . 1 . 2]" 1
1486 1 79 GLN HE21 1 82 GLY HA2 5.500 . 5.500 3.636 2.762 4.242 . 0 0 "[ . 1 . 2]" 1
1487 1 79 GLN HE21 1 82 GLY HA3 5.500 . 5.500 5.045 4.118 5.614 0.114 7 0 "[ . 1 . 2]" 1
1488 1 79 GLN HE22 1 82 GLY H 5.500 . 5.500 4.457 4.014 4.709 . 0 0 "[ . 1 . 2]" 1
1489 1 79 GLN HE22 1 84 ASP HA 5.220 . 5.220 4.555 3.947 5.103 . 0 0 "[ . 1 . 2]" 1
1490 1 79 GLN HE21 1 84 ASP HA 5.500 . 5.500 3.003 2.338 3.748 . 0 0 "[ . 1 . 2]" 1
1491 1 79 GLN HE22 1 108 LEU QB 5.410 . 5.410 4.720 4.418 5.056 . 0 0 "[ . 1 . 2]" 1
1492 1 79 GLN HE22 1 108 LEU QD 4.680 . 4.680 3.870 3.570 4.255 . 0 0 "[ . 1 . 2]" 1
1493 1 79 GLN HE21 1 108 LEU QD 4.830 . 4.830 3.735 3.360 4.420 . 0 0 "[ . 1 . 2]" 1
1494 1 80 VAL H 1 83 TRP HB2 4.900 . 4.900 2.970 2.528 3.273 . 0 0 "[ . 1 . 2]" 1
1495 1 80 VAL H 1 85 MET HG3 4.790 . 4.790 4.546 3.874 5.147 0.357 17 0 "[ . 1 . 2]" 1
1496 1 80 VAL H 1 85 MET HG2 5.120 . 5.120 3.668 2.540 4.522 . 0 0 "[ . 1 . 2]" 1
1497 1 81 ASN H 1 106 ARG HB3 4.670 . 4.670 3.465 3.179 3.730 . 0 0 "[ . 1 . 2]" 1
1498 1 81 ASN H 1 106 ARG HG3 5.500 . 5.500 5.279 5.063 5.557 0.057 10 0 "[ . 1 . 2]" 1
1499 1 81 ASN H 1 106 ARG HG2 5.500 . 5.500 4.988 4.782 5.324 . 0 0 "[ . 1 . 2]" 1
1500 1 81 ASN H 1 106 ARG H 5.100 . 5.100 3.326 2.884 3.670 . 0 0 "[ . 1 . 2]" 1
1501 1 81 ASN QD 1 105 VAL HA . . 4.770 2.293 1.768 2.953 0.032 5 0 "[ . 1 . 2]" 1
1502 1 81 ASN QD 1 106 ARG HB2 5.150 . 5.150 3.441 3.110 3.756 . 0 0 "[ . 1 . 2]" 1
1503 1 81 ASN QD 1 106 ARG HB3 5.320 . 5.320 4.873 4.472 5.137 . 0 0 "[ . 1 . 2]" 1
1504 1 81 ASN QD 1 106 ARG H . . 4.870 2.411 2.228 2.704 . 0 0 "[ . 1 . 2]" 1
1505 1 79 GLN QG 1 82 GLY H 5.040 . 5.040 2.500 2.203 4.757 . 0 0 "[ . 1 . 2]" 1
1506 1 80 VAL QG 1 82 GLY H 5.450 . 5.450 4.174 3.926 4.549 . 0 0 "[ . 1 . 2]" 1
1507 1 82 GLY H 1 106 ARG HB3 4.950 . 4.950 4.047 3.580 4.505 . 0 0 "[ . 1 . 2]" 1
1508 1 82 GLY H 1 107 LEU HA 5.500 . 5.500 5.233 4.990 5.506 0.006 17 0 "[ . 1 . 2]" 1
1509 1 82 GLY H 1 108 LEU QD 5.500 . 5.500 5.634 5.517 5.730 0.230 9 0 "[ . 1 . 2]" 1
1510 1 79 GLN HA 1 83 TRP H 4.970 . 4.970 4.883 4.611 5.052 0.082 2 0 "[ . 1 . 2]" 1
1511 1 79 GLN HB2 1 83 TRP H 4.890 . 4.890 4.933 4.699 5.339 0.449 13 0 "[ . 1 . 2]" 1
1512 1 79 GLN QG 1 83 TRP H 4.620 . 4.620 3.129 2.853 4.605 . 0 0 "[ . 1 . 2]" 1
1513 1 80 VAL QG 1 83 TRP H 4.970 . 4.970 3.596 3.409 4.010 . 0 0 "[ . 1 . 2]" 1
1514 1 83 TRP HE1 1 96 ARG QD 4.830 . 4.830 2.679 2.269 3.304 . 0 0 "[ . 1 . 2]" 1
1515 1 83 TRP HE1 1 95 LYS QD 5.500 . 5.500 5.520 5.224 5.664 0.164 2 0 "[ . 1 . 2]" 1
1516 1 80 VAL QG 1 83 TRP HE1 4.810 . 4.810 4.968 4.855 5.102 0.292 3 0 "[ . 1 . 2]" 1
1517 1 81 ASN QB 1 83 TRP HE1 4.980 . 4.980 3.979 3.234 4.548 . 0 0 "[ . 1 . 2]" 1
1518 1 83 TRP HE1 1 85 MET ME 5.500 . 5.500 5.509 5.351 5.633 0.133 9 0 "[ . 1 . 2]" 1
1519 1 83 TRP HE1 1 96 ARG HA 5.500 . 5.500 4.530 4.107 5.315 . 0 0 "[ . 1 . 2]" 1
1520 1 83 TRP HE1 1 96 ARG QB 5.500 . 5.500 3.699 3.171 4.684 . 0 0 "[ . 1 . 2]" 1
1521 1 83 TRP HE1 1 96 ARG HG3 5.500 . 5.500 3.956 3.347 4.686 . 0 0 "[ . 1 . 2]" 1
1522 1 79 GLN HA 1 84 ASP H 5.500 . 5.500 4.779 4.477 5.051 . 0 0 "[ . 1 . 2]" 1
1523 1 79 GLN HE21 1 84 ASP H 5.500 . 5.500 4.534 3.885 5.157 . 0 0 "[ . 1 . 2]" 1
1524 1 79 GLN QG 1 84 ASP H 5.210 . 5.210 5.043 4.494 5.213 0.003 5 0 "[ . 1 . 2]" 1
1525 1 80 VAL QG 1 84 ASP H 5.500 . 5.500 5.400 4.988 5.615 0.115 1 0 "[ . 1 . 2]" 1
1526 1 85 MET H 1 88 VAL QG 4.960 . 4.960 4.565 4.036 4.925 . 0 0 "[ . 1 . 2]" 1
1527 1 78 MET ME 1 86 THR H 5.500 . 5.500 5.115 4.850 5.409 . 0 0 "[ . 1 . 2]" 1
1528 1 86 THR H 1 88 VAL QG 4.800 . 4.800 3.599 2.802 4.642 . 0 0 "[ . 1 . 2]" 1
1529 1 18 ILE MG 1 20 LYS H 4.720 . 4.720 3.842 3.617 4.088 . 0 0 "[ . 1 . 2]" 1
1530 1 85 MET HB3 1 88 VAL H 5.500 . 5.500 4.460 3.849 5.037 . 0 0 "[ . 1 . 2]" 1
1531 1 86 THR HA 1 88 VAL H 5.300 . 5.300 4.978 4.377 5.339 0.039 11 0 "[ . 1 . 2]" 1
1532 1 88 VAL QG 1 92 GLN HE22 4.560 . 4.560 3.413 2.841 4.142 . 0 0 "[ . 1 . 2]" 1
1533 1 80 VAL QG 1 96 ARG H 4.680 . 4.680 3.695 3.525 3.996 . 0 0 "[ . 1 . 2]" 1
1534 1 20 LYS QB 1 104 VAL H 4.280 . 4.280 4.309 3.722 4.495 0.215 3 0 "[ . 1 . 2]" 1
1535 1 18 ILE HA 1 105 VAL H 5.500 . 5.500 4.476 4.239 4.634 . 0 0 "[ . 1 . 2]" 1
1536 1 20 LYS H 1 105 VAL H 5.130 . 5.130 2.991 2.760 3.360 . 0 0 "[ . 1 . 2]" 1
1537 1 17 GLU HA 1 106 ARG H 5.500 . 5.500 4.900 4.698 5.160 . 0 0 "[ . 1 . 2]" 1
1538 1 81 ASN QB 1 106 ARG H 5.500 . 5.500 4.010 3.561 4.529 . 0 0 "[ . 1 . 2]" 1
1539 1 16 VAL HA 1 107 LEU H 5.500 . 5.500 4.966 4.801 5.174 . 0 0 "[ . 1 . 2]" 1
1540 1 17 GLU H 1 107 LEU H 5.500 . 5.500 4.840 4.654 5.029 . 0 0 "[ . 1 . 2]" 1
1541 1 16 VAL H 1 108 LEU H 5.500 . 5.500 4.933 4.709 5.428 . 0 0 "[ . 1 . 2]" 1
1542 1 77 ILE HA 1 108 LEU H 5.500 . 5.500 4.704 4.445 5.146 . 0 0 "[ . 1 . 2]" 1
1543 1 79 GLN QG 1 108 LEU H 5.500 . 5.500 2.987 2.667 4.572 . 0 0 "[ . 1 . 2]" 1
1544 1 80 VAL HA 1 108 LEU H 5.240 . 5.240 3.387 3.029 3.703 . 0 0 "[ . 1 . 2]" 1
1545 1 13 VAL HA 1 109 VAL H 5.260 . 5.260 4.871 4.425 5.223 . 0 0 "[ . 1 . 2]" 1
1546 1 14 GLN HA 1 109 VAL H 5.500 . 5.500 4.976 4.689 5.312 . 0 0 "[ . 1 . 2]" 1
1547 1 16 VAL H 1 109 VAL H 5.220 . 5.220 3.881 3.448 4.240 . 0 0 "[ . 1 . 2]" 1
1548 1 77 ILE HA 1 109 VAL H 5.500 . 5.500 4.519 4.362 4.717 . 0 0 "[ . 1 . 2]" 1
1549 1 78 MET QG 1 109 VAL H 5.500 . 5.500 4.270 3.722 4.608 . 0 0 "[ . 1 . 2]" 1
1550 1 78 MET QG 1 110 THR H 4.810 . 4.810 2.976 2.752 3.394 . 0 0 "[ . 1 . 2]" 1
1551 1 12 VAL HA 1 111 ARG H 5.500 . 5.500 4.806 4.645 4.989 . 0 0 "[ . 1 . 2]" 1
1552 1 13 VAL QG 1 111 ARG H 4.710 . 4.710 3.885 3.635 4.079 . 0 0 "[ . 1 . 2]" 1
1553 1 13 VAL HA 1 111 ARG H 4.820 . 4.820 2.684 2.211 3.045 . 0 0 "[ . 1 . 2]" 1
1554 1 14 GLN H 1 111 ARG H 5.180 . 5.180 2.836 2.436 3.126 . 0 0 "[ . 1 . 2]" 1
1555 1 72 GLN QE 1 111 ARG H 5.500 . 5.500 5.014 4.469 5.324 . 0 0 "[ . 1 . 2]" 1
1556 1 11 ALA MB 1 112 GLN QE 5.500 . 5.500 4.002 3.240 4.544 . 0 0 "[ . 1 . 2]" 1
1557 1 36 GLY QA 1 91 ASP H 4.450 . 4.450 4.513 4.357 4.906 0.456 19 0 "[ . 1 . 2]" 1
1558 1 21 LEU H 1 28 ILE HA 5.180 . 5.180 4.982 4.417 5.232 0.052 6 0 "[ . 1 . 2]" 1
1559 1 22 ARG QG 1 24 GLY H 5.500 . 5.500 4.049 3.479 5.630 0.130 12 0 "[ . 1 . 2]" 1
1560 1 33 ILE HA 1 59 ARG H 5.030 . 5.030 4.388 3.622 5.199 0.169 12 0 "[ . 1 . 2]" 1
1561 1 78 MET H 1 110 THR MG 5.500 . 5.500 5.695 5.606 5.776 0.276 5 0 "[ . 1 . 2]" 1
1562 1 72 GLN QB 1 73 ILE H 3.690 . 3.690 3.753 3.065 4.046 0.356 5 0 "[ . 1 . 2]" 1
1563 1 97 LEU H 1 97 LEU HG 4.150 . 4.150 3.196 1.812 4.282 0.132 13 0 "[ . 1 . 2]" 1
1564 1 98 THR H 1 99 LYS QB 4.280 . 4.280 4.263 3.805 5.261 0.981 16 2 "[ . 1 -+ 2]" 1
1565 1 99 LYS QB 1 101 SER H 4.270 . 4.270 3.226 2.379 4.242 . 0 0 "[ . 1 . 2]" 1
1566 1 13 VAL QG 1 110 THR H 5.090 . 5.090 3.990 3.742 4.498 . 0 0 "[ . 1 . 2]" 1
1567 1 38 ASP HA 1 89 THR H 5.230 . 5.230 5.559 5.399 5.635 0.405 8 0 "[ . 1 . 2]" 1
1568 1 14 GLN QE 1 109 VAL H 4.450 . 4.450 3.161 2.368 4.291 . 0 0 "[ . 1 . 2]" 1
1569 1 50 LYS QD 1 110 THR H 5.360 . 5.360 5.276 4.840 5.528 0.168 15 0 "[ . 1 . 2]" 1
1570 1 32 SER H 1 61 SER H 5.500 . 5.500 4.967 4.201 5.542 0.042 18 0 "[ . 1 . 2]" 1
1571 1 37 ILE H 1 87 MET HB3 4.710 . 4.710 4.894 4.750 5.168 0.458 9 0 "[ . 1 . 2]" 1
1572 1 113 SER QB 1 115 GLN H 5.150 . 5.150 4.750 4.201 5.275 0.125 11 0 "[ . 1 . 2]" 1
1573 1 14 GLN H 1 14 GLN QE 5.500 . 5.500 3.900 3.454 4.822 . 0 0 "[ . 1 . 2]" 1
1574 1 72 GLN QE 1 113 SER H 5.500 . 5.500 4.852 4.095 5.388 . 0 0 "[ . 1 . 2]" 1
1575 1 4 ILE H 1 8 PRO HD3 5.390 . 5.390 5.174 3.367 5.626 0.236 12 0 "[ . 1 . 2]" 1
1576 1 14 GLN QE 1 107 LEU QD 4.440 . 4.440 3.604 2.984 3.955 . 0 0 "[ . 1 . 2]" 1
1577 1 31 PHE HB2 1 59 ARG H 5.500 . 5.500 3.557 3.127 3.910 . 0 0 "[ . 1 . 2]" 1
1578 1 18 ILE H 1 20 LYS H 4.970 . 4.970 5.166 5.063 5.214 0.244 17 0 "[ . 1 . 2]" 1
1579 1 22 ARG H 1 22 ARG HE 5.500 . 5.500 4.525 3.823 5.379 . 0 0 "[ . 1 . 2]" 1
1580 1 31 PHE H 1 60 VAL QG 4.430 . 4.430 4.392 4.090 4.548 0.118 7 0 "[ . 1 . 2]" 1
1581 1 36 GLY H 1 39 GLN HA 5.500 . 5.500 5.645 5.394 6.589 1.089 5 2 "[ + 1 - . 2]" 1
1582 1 37 ILE HG13 1 39 GLN H 5.260 . 5.260 4.839 4.516 5.225 . 0 0 "[ . 1 . 2]" 1
1583 1 47 SER H 1 49 ASP H 5.500 . 5.500 5.477 4.435 5.802 0.302 4 0 "[ . 1 . 2]" 1
1584 1 54 GLY H 1 55 ILE MD 5.500 . 5.500 4.690 4.247 4.959 . 0 0 "[ . 1 . 2]" 1
1585 1 56 TYR H 1 57 VAL HB 5.500 . 5.500 5.807 5.688 6.436 0.936 13 1 "[ . 1 + . 2]" 1
1586 1 16 VAL QG 1 66 ALA H 5.450 . 5.450 5.260 5.092 5.546 0.096 6 0 "[ . 1 . 2]" 1
1587 1 66 ALA H 1 71 LEU QB 5.500 . 5.500 5.137 4.949 5.351 . 0 0 "[ . 1 . 2]" 1
1588 1 76 LYS H 1 77 ILE QG 4.660 . 4.660 4.831 4.724 4.938 0.278 10 0 "[ . 1 . 2]" 1
1589 1 83 TRP HE1 1 95 LYS QE 5.500 . 5.500 5.569 5.531 5.620 0.120 5 0 "[ . 1 . 2]" 1
1590 1 83 TRP HB2 1 83 TRP HE1 5.140 . 5.140 4.752 4.707 4.817 . 0 0 "[ . 1 . 2]" 1
1591 1 79 GLN H 1 85 MET H 5.500 . 5.500 4.033 3.746 4.375 . 0 0 "[ . 1 . 2]" 1
1592 1 85 MET H 1 86 THR HA 5.240 . 5.240 5.120 4.850 5.274 0.034 17 0 "[ . 1 . 2]" 1
1593 1 36 GLY QA 1 92 GLN H 5.360 . 5.360 5.157 5.030 5.374 0.014 19 0 "[ . 1 . 2]" 1
1594 1 90 HIS HB2 1 92 GLN H 5.500 . 5.500 5.550 5.504 5.608 0.108 8 0 "[ . 1 . 2]" 1
1595 1 92 GLN H 1 92 GLN HE21 5.500 . 5.500 5.448 5.336 5.542 0.042 20 0 "[ . 1 . 2]" 1
1596 1 89 THR MG 1 92 GLN HE21 5.500 . 5.500 4.592 4.395 4.802 . 0 0 "[ . 1 . 2]" 1
1597 1 20 LYS QB 1 101 SER H 5.500 . 5.500 5.530 4.943 5.677 0.177 9 0 "[ . 1 . 2]" 1
1598 1 20 LYS QG 1 101 SER H 5.030 . 5.030 4.887 4.524 5.207 0.177 3 0 "[ . 1 . 2]" 1
1599 1 104 VAL H 1 105 VAL MG2 4.100 . 4.100 3.982 3.711 4.177 0.077 9 0 "[ . 1 . 2]" 1
1600 1 19 HIS HB3 1 105 VAL H 5.500 . 5.500 5.252 5.042 5.508 0.008 5 0 "[ . 1 . 2]" 1
1601 1 82 GLY H 1 108 LEU H 5.500 . 5.500 5.548 5.426 5.681 0.181 6 0 "[ . 1 . 2]" 1
1602 1 115 GLN QG 1 117 ALA H 5.500 . 5.500 5.162 4.430 5.798 0.298 12 0 "[ . 1 . 2]" 1
1603 1 47 SER H 1 48 GLU QB 5.250 . 5.250 5.269 5.039 5.969 0.719 8 1 "[ . + 1 . 2]" 1
1604 1 80 VAL H 1 80 VAL HB 3.570 . 3.570 3.130 2.600 3.843 0.273 11 0 "[ . 1 . 2]" 1
1605 1 32 SER QB 1 60 VAL H 5.500 . 5.500 4.681 4.390 4.946 . 0 0 "[ . 1 . 2]" 1
1606 1 79 GLN HE22 1 83 TRP H 5.100 . 5.100 5.144 4.750 5.532 0.432 2 0 "[ . 1 . 2]" 1
1607 1 78 MET HA 1 86 THR H 5.230 . 5.230 5.289 4.979 5.391 0.161 15 0 "[ . 1 . 2]" 1
1608 1 16 VAL H 1 69 ALA MB 4.710 . 4.710 4.903 4.694 5.085 0.375 8 0 "[ . 1 . 2]" 1
1609 1 90 HIS HB3 1 93 ALA H 5.500 . 5.500 5.626 5.430 5.693 0.193 2 0 "[ . 1 . 2]" 1
1610 1 35 GLY H 1 39 GLN QB 5.350 . 5.350 5.394 4.430 5.517 0.167 12 0 "[ . 1 . 2]" 1
1611 1 35 GLY H 1 39 GLN HE21 5.500 . 5.500 5.223 4.294 5.445 . 0 0 "[ . 1 . 2]" 1
1612 1 35 GLY H 1 39 GLN QG . . 4.820 3.701 3.485 4.632 . 0 0 "[ . 1 . 2]" 1
1613 1 35 GLY QA 1 39 GLN H 5.500 . 5.500 5.198 4.276 5.359 . 0 0 "[ . 1 . 2]" 1
1614 1 35 GLY H 1 39 GLN HE22 5.500 . 5.500 5.196 2.750 5.576 0.076 13 0 "[ . 1 . 2]" 1
1615 1 31 PHE HB3 1 66 ALA H 5.500 . 5.500 5.095 4.559 5.403 . 0 0 "[ . 1 . 2]" 1
1616 1 31 PHE QR 1 66 ALA H 5.470 . 5.470 3.797 3.385 4.125 . 0 0 "[ . 1 . 2]" 1
1617 1 81 ASN H 1 107 LEU HA 5.010 . 5.010 3.345 3.036 3.716 . 0 0 "[ . 1 . 2]" 1
1618 1 81 ASN H 1 107 LEU H 5.500 . 5.500 4.460 4.288 4.745 . 0 0 "[ . 1 . 2]" 1
1619 1 29 LEU HA 1 65 PRO HG2 . . 4.680 3.540 2.933 4.492 . 0 0 "[ . 1 . 2]" 1
1620 1 32 SER QB 1 57 VAL QG 4.720 . 4.720 4.129 3.918 4.361 . 0 0 "[ . 1 . 2]" 1
1621 1 35 GLY QA 1 39 GLN QG 4.970 . 4.970 3.097 2.920 3.299 . 0 0 "[ . 1 . 2]" 1
1622 1 32 SER H 1 57 VAL QG 4.260 . 4.260 3.144 2.871 3.522 . 0 0 "[ . 1 . 2]" 1
1623 1 29 LEU HA 1 65 PRO HD2 5.050 . 5.050 4.656 3.950 5.100 0.050 8 0 "[ . 1 . 2]" 1
1624 1 29 LEU HA 1 65 PRO HG3 4.220 . 4.220 4.075 3.593 4.697 0.477 19 0 "[ . 1 . 2]" 1
1625 1 31 PHE HA 1 66 ALA MB 4.340 . 4.340 3.858 3.623 4.096 . 0 0 "[ . 1 . 2]" 1
1626 1 31 PHE HB3 1 66 ALA MB 3.800 . 3.800 2.472 2.211 2.699 . 0 0 "[ . 1 . 2]" 1
1627 1 31 PHE QR 1 66 ALA MB 3.190 . 3.190 1.570 1.327 1.823 0.473 3 0 "[ . 1 . 2]" 1
1628 1 77 ILE MG 1 79 GLN QG 4.620 . 4.620 4.308 4.203 4.443 . 0 0 "[ . 1 . 2]" 1
1629 1 77 ILE MG 1 85 MET HG3 4.940 . 4.940 3.458 2.155 4.525 . 0 0 "[ . 1 . 2]" 1
1630 1 77 ILE MG 1 85 MET HG2 4.440 . 4.440 3.032 2.133 3.727 . 0 0 "[ . 1 . 2]" 1
1631 1 30 GLY HA3 1 65 PRO HD3 4.740 . 4.740 3.334 2.733 3.797 . 0 0 "[ . 1 . 2]" 1
1632 1 30 GLY HA2 1 65 PRO HG2 4.380 . 4.380 4.415 4.151 4.592 0.212 5 0 "[ . 1 . 2]" 1
1633 1 30 GLY HA3 1 65 PRO HG3 4.510 . 4.510 4.051 3.590 4.583 0.073 19 0 "[ . 1 . 2]" 1
1634 1 30 GLY H 1 65 PRO HD2 5.500 . 5.500 3.489 2.733 4.376 . 0 0 "[ . 1 . 2]" 1
1635 1 30 GLY H 1 65 PRO HG2 5.500 . 5.500 3.837 2.093 5.050 . 0 0 "[ . 1 . 2]" 1
1636 1 52 ASP QB 1 54 GLY H . . 4.630 3.268 2.457 4.263 . 0 0 "[ . 1 . 2]" 1
1637 1 52 ASP H 1 54 GLY H 5.500 . 5.500 4.714 3.263 5.580 0.080 17 0 "[ . 1 . 2]" 1
1638 1 52 ASP HA 1 54 GLY H 4.660 . 4.660 4.567 4.134 4.823 0.163 19 0 "[ . 1 . 2]" 1
1639 1 52 ASP QB 1 54 GLY HA2 4.920 . 4.920 4.664 3.804 5.115 0.195 5 0 "[ . 1 . 2]" 1
1640 1 52 ASP QB 1 54 GLY HA3 4.630 . 4.630 4.368 3.639 4.761 0.131 7 0 "[ . 1 . 2]" 1
1641 1 81 ASN H 1 83 TRP H 5.450 . 5.450 4.225 4.076 4.368 . 0 0 "[ . 1 . 2]" 1
1642 1 74 GLY H 1 112 GLN QE 5.500 . 5.500 5.140 4.639 5.415 . 0 0 "[ . 1 . 2]" 1
1643 1 68 ILE MD 1 70 GLY H 4.630 . 4.630 4.834 4.757 4.888 0.258 7 0 "[ . 1 . 2]" 1
1644 1 79 GLN HA 1 108 LEU QD 5.040 . 5.040 4.261 3.949 4.668 . 0 0 "[ . 1 . 2]" 1
1645 1 56 TYR HA 1 77 ILE MG 4.840 . 4.840 4.675 4.214 5.010 0.170 20 0 "[ . 1 . 2]" 1
1646 1 88 VAL H 1 93 ALA MB 5.270 . 5.270 5.369 5.186 5.465 0.195 1 0 "[ . 1 . 2]" 1
1647 1 30 GLY HA2 1 66 ALA MB 5.500 . 5.500 3.956 3.484 4.443 . 0 0 "[ . 1 . 2]" 1
1648 1 47 SER QB 1 48 GLU QB 5.500 . 5.500 4.140 2.792 4.933 . 0 0 "[ . 1 . 2]" 1
1649 1 66 ALA MB 1 67 GLU HB3 5.290 . 5.290 4.657 4.446 4.848 . 0 0 "[ . 1 . 2]" 1
1650 1 18 ILE MD 1 68 ILE MG 5.500 . 5.500 2.259 1.961 3.096 . 0 0 "[ . 1 . 2]" 1
1651 1 18 ILE QG 1 65 PRO HD2 5.500 . 5.500 5.253 4.962 5.576 0.076 15 0 "[ . 1 . 2]" 1
1652 1 18 ILE QG 1 65 PRO HD3 5.500 . 5.500 5.211 4.980 5.596 0.096 13 0 "[ . 1 . 2]" 1
1653 1 18 ILE QG 1 65 PRO HG2 5.500 . 5.500 3.964 3.782 4.231 . 0 0 "[ . 1 . 2]" 1
1654 1 18 ILE QG 1 65 PRO HG3 5.450 . 5.450 4.208 3.623 4.804 . 0 0 "[ . 1 . 2]" 1
1655 1 4 ILE HA 1 8 PRO HD3 4.400 . 4.400 4.276 3.403 4.778 0.378 6 0 "[ . 1 . 2]" 1
1656 1 4 ILE MG 1 8 PRO HD3 5.310 . 5.310 3.404 1.916 5.128 . 0 0 "[ . 1 . 2]" 1
1657 1 24 GLY HA3 1 25 GLU QG 5.500 . 5.500 3.320 3.135 3.517 . 0 0 "[ . 1 . 2]" 1
1658 1 24 GLY HA2 1 25 GLU QG 5.500 . 5.500 3.802 3.670 4.420 . 0 0 "[ . 1 . 2]" 1
1659 1 24 GLY H 1 25 GLU QG 5.500 . 5.500 5.347 5.229 5.546 0.046 4 0 "[ . 1 . 2]" 1
1660 1 41 PRO HB2 1 42 SER HA 4.960 . 4.960 4.035 3.597 4.530 . 0 0 "[ . 1 . 2]" 1
1661 1 59 ARG HB3 1 60 VAL QG 5.500 . 5.500 4.138 3.961 4.238 . 0 0 "[ . 1 . 2]" 1
1662 1 105 VAL MG1 1 106 ARG HB2 4.350 . 4.350 4.472 4.420 4.518 0.168 3 0 "[ . 1 . 2]" 1
1663 1 78 MET HA 1 108 LEU QD 5.320 . 5.320 4.264 4.064 5.162 . 0 0 "[ . 1 . 2]" 1
1664 1 78 MET ME 1 108 LEU HG 4.290 . 4.290 4.585 4.195 4.712 0.422 18 0 "[ . 1 . 2]" 1
1665 1 46 PHE HB3 1 47 SER QB 5.500 . 5.500 4.874 3.955 5.763 0.263 14 0 "[ . 1 . 2]" 1
1666 1 89 THR H 1 92 GLN HA 5.500 . 5.500 5.522 5.165 5.651 0.151 8 0 "[ . 1 . 2]" 1
1667 1 35 GLY H 1 55 ILE HG13 5.500 . 5.500 3.575 3.095 5.321 . 0 0 "[ . 1 . 2]" 1
1668 1 35 GLY H 1 55 ILE MG 5.500 . 5.500 3.602 3.099 5.597 0.097 5 0 "[ . 1 . 2]" 1
1669 1 76 LYS H 1 111 ARG H 5.500 . 5.500 5.281 5.008 5.611 0.111 6 0 "[ . 1 . 2]" 1
1670 1 76 LYS H 1 111 ARG HA 5.500 . 5.500 4.243 3.596 4.619 . 0 0 "[ . 1 . 2]" 1
1671 1 56 TYR QD 1 76 LYS H 5.500 . 5.500 5.652 4.767 5.865 0.365 13 0 "[ . 1 . 2]" 1
1672 1 78 MET HA 1 108 LEU H 5.500 . 5.500 6.183 5.890 6.470 0.970 17 13 "[ ***. * -** *.*+***]" 1
1673 1 36 GLY H 1 53 LYS QD 5.500 . 5.500 4.759 3.406 5.655 0.155 18 0 "[ . 1 . 2]" 1
1674 1 37 ILE H 1 53 LYS QD 5.160 . 5.160 4.917 3.973 5.329 0.169 15 0 "[ . 1 . 2]" 1
1675 1 47 SER QB 1 52 ASP H 5.500 . 5.500 4.066 2.938 5.084 . 0 0 "[ . 1 . 2]" 1
1676 1 48 GLU QB 1 52 ASP H . . 3.990 3.213 1.793 4.453 0.463 16 0 "[ . 1 . 2]" 1
1677 1 37 ILE MG 1 53 LYS H 5.500 . 5.500 4.908 3.900 5.531 0.031 19 0 "[ . 1 . 2]" 1
1678 1 72 GLN QE 1 115 GLN HA 5.500 . 5.500 4.538 3.363 5.341 . 0 0 "[ . 1 . 2]" 1
1679 1 79 GLN HE22 1 84 ASP QB 5.500 . 5.500 4.532 3.302 5.391 . 0 0 "[ . 1 . 2]" 1
1680 1 79 GLN HE21 1 84 ASP QB 5.500 . 5.500 3.628 2.255 4.402 . 0 0 "[ . 1 . 2]" 1
1681 1 89 THR MG 1 92 GLN HE22 5.500 . 5.500 5.503 4.159 5.629 0.129 14 0 "[ . 1 . 2]" 1
1682 1 7 GLN HB3 1 8 PRO HD3 5.000 . 5.000 4.335 3.178 4.852 . 0 0 "[ . 1 . 2]" 1
1683 1 33 ILE QG 1 57 VAL HB 5.500 . 5.500 4.528 4.093 5.549 0.049 13 0 "[ . 1 . 2]" 1
1684 1 72 GLN QG 1 116 LYS QE 5.500 . 5.500 4.400 2.379 5.499 . 0 0 "[ . 1 . 2]" 1
1685 1 18 ILE MD 1 66 ALA HA 4.840 . 4.840 4.895 4.622 4.988 0.148 13 0 "[ . 1 . 2]" 1
1686 1 77 ILE MG 1 85 MET ME 3.280 . 3.280 4.300 3.603 4.828 1.548 2 14 "[*+ *.****1** -** * *]" 1
1687 1 36 GLY H 1 90 HIS HB2 5.500 . 5.500 3.804 1.641 4.411 0.159 12 0 "[ . 1 . 2]" 1
1688 1 79 GLN H 1 109 VAL HA 5.500 . 5.500 4.262 4.028 4.695 . 0 0 "[ . 1 . 2]" 1
1689 1 77 ILE HB 1 110 THR H 5.500 . 5.500 5.734 5.494 5.888 0.388 5 0 "[ . 1 . 2]" 1
1690 1 78 MET HA 1 110 THR H 5.270 . 5.270 5.487 5.418 5.573 0.303 4 0 "[ . 1 . 2]" 1
1691 1 38 ASP H 1 55 ILE MD 5.500 . 5.500 4.685 4.025 4.933 . 0 0 "[ . 1 . 2]" 1
1692 1 88 VAL QG 1 91 ASP H 5.500 . 5.500 5.021 4.849 5.454 . 0 0 "[ . 1 . 2]" 1
1693 1 14 GLN H 1 111 ARG HG2 5.500 . 5.500 5.432 4.085 6.250 0.750 4 2 "[ +. 1 - . 2]" 1
1694 1 31 PHE HB3 1 59 ARG H 5.500 . 5.500 5.042 4.763 5.370 . 0 0 "[ . 1 . 2]" 1
1695 1 37 ILE MG 1 53 LYS QD 5.500 . 5.500 3.750 2.224 5.023 . 0 0 "[ . 1 . 2]" 1
1696 1 29 LEU H 1 31 PHE H 5.500 . 5.500 4.327 3.653 5.027 . 0 0 "[ . 1 . 2]" 1
1697 1 29 LEU HA 1 31 PHE H 4.330 . 4.330 4.315 3.970 4.535 0.205 16 0 "[ . 1 . 2]" 1
1698 1 36 GLY H 1 54 GLY H 4.740 . 4.740 5.077 4.748 6.945 2.205 12 2 "[ . 1 + . -2]" 1
1699 1 57 VAL H 1 77 ILE HA 5.500 . 5.500 5.498 5.039 5.657 0.157 20 0 "[ . 1 . 2]" 1
1700 1 105 VAL H 1 106 ARG HG3 4.800 . 4.800 4.921 4.837 5.017 0.217 5 0 "[ . 1 . 2]" 1
1701 1 115 GLN HA 1 118 VAL QG 5.130 . 5.130 4.152 2.645 5.011 . 0 0 "[ . 1 . 2]" 1
1702 1 77 ILE MG 1 85 MET H 5.500 . 5.500 4.300 3.986 4.759 . 0 0 "[ . 1 . 2]" 1
1703 1 79 GLN H 1 109 VAL H 5.500 . 5.500 5.205 4.890 5.392 . 0 0 "[ . 1 . 2]" 1
1704 1 57 VAL QG 1 71 LEU QD 4.910 . 4.910 1.622 1.371 1.758 0.429 5 0 "[ . 1 . 2]" 1
1705 1 29 LEU QD 1 99 LYS H 5.410 . 5.410 5.443 5.127 5.634 0.224 8 0 "[ . 1 . 2]" 1
1706 1 29 LEU QD 1 98 THR H 4.920 . 4.920 4.438 3.927 4.911 . 0 0 "[ . 1 . 2]" 1
1707 1 27 LEU QB 1 98 THR MG 5.500 . 5.500 3.022 1.675 4.879 0.125 7 0 "[ . 1 . 2]" 1
1708 1 28 ILE MD 1 98 THR MG 4.720 . 4.720 4.811 4.620 4.982 0.262 8 0 "[ . 1 . 2]" 1
1709 1 32 SER HA 1 59 ARG H 5.500 . 5.500 5.030 4.310 5.774 0.274 11 0 "[ . 1 . 2]" 1
1710 1 32 SER H 1 59 ARG HA 5.500 . 5.500 3.962 3.790 4.220 . 0 0 "[ . 1 . 2]" 1
1711 1 36 GLY H 1 55 ILE H 5.500 . 5.500 5.553 5.398 5.788 0.288 12 0 "[ . 1 . 2]" 1
1712 1 36 GLY H 1 55 ILE HA 5.500 . 5.500 3.591 3.255 4.252 . 0 0 "[ . 1 . 2]" 1
1713 1 22 ARG H 1 27 LEU HA 5.500 . 5.500 4.314 3.893 4.649 . 0 0 "[ . 1 . 2]" 1
1714 1 31 PHE H 1 60 VAL HA 5.500 . 5.500 4.224 4.003 4.412 . 0 0 "[ . 1 . 2]" 1
1715 1 22 ARG H 1 23 GLN H 5.500 . 5.500 4.549 4.494 4.592 . 0 0 "[ . 1 . 2]" 1
1716 1 80 VAL H 1 83 TRP H 5.500 . 5.500 3.041 2.760 3.213 . 0 0 "[ . 1 . 2]" 1
1717 1 80 VAL HA 1 83 TRP H 5.500 . 5.500 4.540 4.360 4.672 . 0 0 "[ . 1 . 2]" 1
1718 1 34 GLY H 1 57 VAL H 5.500 . 5.500 5.055 4.411 5.282 . 0 0 "[ . 1 . 2]" 1
1719 1 95 LYS H 1 96 ARG HA 5.000 . 5.000 5.114 5.079 5.173 0.173 8 0 "[ . 1 . 2]" 1
1720 1 93 ALA HA 1 97 LEU H 5.500 . 5.500 4.205 3.988 4.552 . 0 0 "[ . 1 . 2]" 1
1721 1 94 ARG HA 1 95 LYS H 5.000 . 5.000 3.544 3.515 3.601 . 0 0 "[ . 1 . 2]" 1
1722 1 55 ILE MG 1 77 ILE HA 5.500 . 5.500 4.507 4.312 5.071 . 0 0 "[ . 1 . 2]" 1
1723 1 32 SER H 1 33 ILE H 5.500 . 5.500 4.504 4.449 4.531 . 0 0 "[ . 1 . 2]" 1
1724 1 55 ILE HB 1 56 TYR H 5.500 . 5.500 4.255 4.101 4.476 . 0 0 "[ . 1 . 2]" 1
1725 1 56 TYR H 1 57 VAL H 5.500 . 5.500 4.267 4.102 4.342 . 0 0 "[ . 1 . 2]" 1
1726 1 95 LYS H 1 98 THR H 5.500 . 5.500 4.815 4.497 5.267 . 0 0 "[ . 1 . 2]" 1
1727 1 33 ILE MD 1 94 ARG H 4.480 . 4.480 3.819 3.528 4.129 . 0 0 "[ . 1 . 2]" 1
1728 1 33 ILE H 1 57 VAL HA 5.500 . 5.500 4.841 4.502 5.033 . 0 0 "[ . 1 . 2]" 1
1729 1 33 ILE H 1 58 THR H 5.000 . 5.000 3.822 3.534 4.014 . 0 0 "[ . 1 . 2]" 1
1730 1 33 ILE HB 1 58 THR H 5.500 . 5.500 3.683 3.370 4.293 . 0 0 "[ . 1 . 2]" 1
1731 1 35 GLY QA 1 56 TYR QD 5.500 . 5.500 3.158 2.291 4.481 . 0 0 "[ . 1 . 2]" 1
1732 1 8 PRO HD2 1 10 THR H 5.500 . 5.500 4.251 3.197 5.364 . 0 0 "[ . 1 . 2]" 1
1733 1 9 VAL H 1 11 ALA H 5.120 . 5.120 5.230 4.844 5.457 0.337 16 0 "[ . 1 . 2]" 1
1734 1 9 VAL HA 1 11 ALA H 4.230 . 4.230 4.295 4.004 4.466 0.236 4 0 "[ . 1 . 2]" 1
1735 1 9 VAL QG 1 11 ALA H 4.480 . 4.480 3.865 2.576 4.374 . 0 0 "[ . 1 . 2]" 1
1736 1 9 VAL HB 1 11 ALA H 5.380 . 5.380 5.218 4.442 5.617 0.237 12 0 "[ . 1 . 2]" 1
1737 1 14 GLN HB3 1 109 VAL QG 3.800 . 3.800 3.740 2.211 3.993 0.193 3 0 "[ . 1 . 2]" 1
1738 1 14 GLN QG 1 109 VAL HB 3.840 . 3.840 3.843 3.639 3.934 0.094 14 0 "[ . 1 . 2]" 1
1739 1 15 ARG HA 1 109 VAL QG 4.330 . 4.330 4.000 3.296 4.460 0.130 7 0 "[ . 1 . 2]" 1
1740 1 18 ILE H 1 105 VAL MG2 4.490 . 4.490 4.698 4.612 4.799 0.309 9 0 "[ . 1 . 2]" 1
1741 1 44 ASN H 1 47 SER H 5.500 . 5.500 5.405 4.016 5.779 0.279 20 0 "[ . 1 . 2]" 1
1742 1 48 GLU H 1 52 ASP H 5.500 . 5.500 3.584 2.220 5.507 0.007 5 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 63
_Distance_constraint_stats_list.Viol_count 336
_Distance_constraint_stats_list.Viol_total 1906.066
_Distance_constraint_stats_list.Viol_max 2.233
_Distance_constraint_stats_list.Viol_rms 0.2696
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0756
_Distance_constraint_stats_list.Viol_average_violations_only 0.2836
_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 12 VAL 0.137 0.086 5 0 "[ . 1 . 2]"
1 14 GLN 0.245 0.107 9 0 "[ . 1 . 2]"
1 16 VAL 0.113 0.107 6 0 "[ . 1 . 2]"
1 18 ILE 0.058 0.040 19 0 "[ . 1 . 2]"
1 21 LEU 3.320 0.257 5 0 "[ . 1 . 2]"
1 23 GLN 0.139 0.087 2 0 "[ . 1 . 2]"
1 26 ASN 0.139 0.087 2 0 "[ . 1 . 2]"
1 28 ILE 3.320 0.257 5 0 "[ . 1 . 2]"
1 32 SER 0.041 0.037 13 0 "[ . 1 . 2]"
1 33 ILE 20.138 2.233 12 9 "[ * -*+ *.* ***]"
1 34 GLY 5.088 0.278 17 0 "[ . 1 . 2]"
1 36 GLY 9.123 1.887 19 3 "[ * 1 - . +2]"
1 54 GLY 9.123 1.887 19 3 "[ * 1 - . +2]"
1 55 ILE 17.683 1.948 19 2 "[ - 1 . +2]"
1 56 TYR 5.088 0.278 17 0 "[ . 1 . 2]"
1 57 VAL 4.429 0.246 13 0 "[ . 1 . 2]"
1 58 THR 0.041 0.037 13 0 "[ . 1 . 2]"
1 59 ARG 52.814 2.233 12 20 [***********+***-****]
1 65 PRO 0.017 0.017 18 0 "[ . 1 . 2]"
1 66 ALA 0.096 0.036 2 0 "[ . 1 . 2]"
1 69 ALA 0.017 0.017 18 0 "[ . 1 . 2]"
1 70 GLY 0.096 0.036 2 0 "[ . 1 . 2]"
1 73 ILE 32.676 1.733 6 15 "[****.+***1 ***-***2]"
1 75 ASP 4.429 0.246 13 0 "[ . 1 . 2]"
1 77 ILE 17.683 1.948 19 2 "[ - 1 . +2]"
1 80 VAL 0.480 0.074 3 0 "[ . 1 . 2]"
1 83 TRP 0.480 0.074 3 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.742 0.129 1 0 "[ . 1 . 2]"
1 93 ALA 0.080 0.058 17 0 "[ . 1 . 2]"
1 94 ARG 0.698 0.101 11 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.742 0.129 1 0 "[ . 1 . 2]"
1 97 LEU 0.080 0.058 17 0 "[ . 1 . 2]"
1 98 THR 0.698 0.101 11 0 "[ . 1 . 2]"
1 105 VAL 0.058 0.040 19 0 "[ . 1 . 2]"
1 107 LEU 0.113 0.107 6 0 "[ . 1 . 2]"
1 109 VAL 0.245 0.107 9 0 "[ . 1 . 2]"
1 111 ARG 0.137 0.086 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 VAL H 1 111 ARG O 2.300 . 2.300 1.952 1.691 2.386 0.086 5 0 "[ . 1 . 2]" 2
2 1 12 VAL O 1 111 ARG H 2.300 . 2.300 1.784 1.676 1.941 0.024 12 0 "[ . 1 . 2]" 2
3 1 14 GLN H 1 109 VAL O 2.300 . 2.300 1.977 1.707 2.269 . 0 0 "[ . 1 . 2]" 2
4 1 14 GLN O 1 109 VAL H 2.300 . 2.300 1.958 1.685 2.407 0.107 9 0 "[ . 1 . 2]" 2
5 1 16 VAL H 1 107 LEU O 2.300 . 2.300 2.011 1.748 2.407 0.107 6 0 "[ . 1 . 2]" 2
6 1 16 VAL O 1 107 LEU H 2.300 . 2.300 1.897 1.704 2.307 0.007 11 0 "[ . 1 . 2]" 2
7 1 18 ILE H 1 105 VAL O 2.300 . 2.300 2.037 1.939 2.143 . 0 0 "[ . 1 . 2]" 2
8 1 18 ILE O 1 105 VAL H 2.300 . 2.300 1.784 1.660 2.145 0.040 19 0 "[ . 1 . 2]" 2
9 1 21 LEU H 1 28 ILE O 2.300 . 2.300 2.425 2.316 2.557 0.257 5 0 "[ . 1 . 2]" 2
10 1 21 LEU O 1 28 ILE H 2.300 . 2.300 1.698 1.649 1.834 0.051 1 0 "[ . 1 . 2]" 2
11 1 23 GLN H 1 26 ASN O 2.300 . 2.300 1.802 1.613 2.021 0.087 2 0 "[ . 1 . 2]" 2
12 1 23 GLN O 1 26 ASN H 2.300 . 2.300 1.946 1.795 2.147 . 0 0 "[ . 1 . 2]" 2
13 1 90 HIS O 1 94 ARG H 2.300 . 2.300 1.867 1.786 1.937 . 0 0 "[ . 1 . 2]" 2
14 1 91 ASP O 1 95 LYS H 2.300 . 2.300 1.864 1.738 1.974 . 0 0 "[ . 1 . 2]" 2
15 1 92 GLN O 1 96 ARG H 2.300 . 2.300 2.238 1.935 2.429 0.129 1 0 "[ . 1 . 2]" 2
16 1 93 ALA O 1 97 LEU H 2.300 . 2.300 2.155 2.000 2.358 0.058 17 0 "[ . 1 . 2]" 2
17 1 94 ARG O 1 98 THR H 2.300 . 2.300 2.192 1.797 2.401 0.101 11 0 "[ . 1 . 2]" 2
18 1 65 PRO O 1 69 ALA H 2.300 . 2.300 2.079 1.942 2.317 0.017 18 0 "[ . 1 . 2]" 2
19 1 66 ALA O 1 70 GLY H 2.300 . 2.300 2.170 1.836 2.336 0.036 2 0 "[ . 1 . 2]" 2
20 1 34 GLY H 1 56 TYR O 2.300 . 2.300 2.129 1.658 2.313 0.042 12 0 "[ . 1 . 2]" 2
21 1 34 GLY O 1 56 TYR H 2.300 . 2.300 2.507 2.345 2.578 0.278 17 0 "[ . 1 . 2]" 2
22 1 36 GLY H 1 54 GLY O 2.300 . 2.300 2.749 2.443 4.187 1.887 19 3 "[ * 1 - . +2]" 2
23 1 57 VAL H 1 75 ASP O 2.300 . 2.300 1.779 1.623 2.004 0.077 17 0 "[ . 1 . 2]" 2
24 1 57 VAL O 1 75 ASP H 2.300 . 2.300 2.503 2.470 2.546 0.246 13 0 "[ . 1 . 2]" 2
25 1 80 VAL H 1 83 TRP O 2.300 . 2.300 2.170 1.696 2.374 0.074 3 0 "[ . 1 . 2]" 2
26 1 80 VAL O 1 83 TRP H 2.300 . 2.300 1.867 1.766 1.951 . 0 0 "[ . 1 . 2]" 2
27 1 80 VAL N 1 83 TRP O 3.300 2.400 3.300 3.037 2.653 3.259 . 0 0 "[ . 1 . 2]" 2
28 1 80 VAL O 1 83 TRP N 3.300 2.400 3.300 2.802 2.698 2.888 . 0 0 "[ . 1 . 2]" 2
29 1 12 VAL N 1 111 ARG O 3.300 2.400 3.300 2.877 2.631 3.313 0.013 5 0 "[ . 1 . 2]" 2
30 1 12 VAL O 1 111 ARG N 3.300 2.400 3.300 2.681 2.592 2.787 . 0 0 "[ . 1 . 2]" 2
31 1 14 GLN N 1 109 VAL O 3.300 2.400 3.300 2.695 2.539 2.932 . 0 0 "[ . 1 . 2]" 2
32 1 14 GLN O 1 109 VAL N 3.300 2.400 3.300 2.869 2.621 3.315 0.015 9 0 "[ . 1 . 2]" 2
33 1 16 VAL N 1 107 LEU O 3.300 2.400 3.300 2.844 2.638 3.173 . 0 0 "[ . 1 . 2]" 2
34 1 16 VAL O 1 107 LEU N 3.300 2.400 3.300 2.721 2.590 3.021 . 0 0 "[ . 1 . 2]" 2
35 1 18 ILE N 1 105 VAL O 3.300 2.400 3.300 2.968 2.841 3.087 . 0 0 "[ . 1 . 2]" 2
36 1 18 ILE O 1 105 VAL N 3.300 2.400 3.300 2.656 2.571 2.830 . 0 0 "[ . 1 . 2]" 2
37 1 21 LEU N 1 28 ILE O 3.300 2.400 3.300 3.306 3.159 3.428 0.128 11 0 "[ . 1 . 2]" 2
38 1 21 LEU O 1 28 ILE N 3.300 2.400 3.300 2.630 2.546 2.733 . 0 0 "[ . 1 . 2]" 2
39 1 23 GLN N 1 26 ASN O 3.300 2.400 3.300 2.729 2.556 2.922 . 0 0 "[ . 1 . 2]" 2
40 1 23 GLN O 1 26 ASN N 3.300 2.400 3.300 2.890 2.738 3.101 . 0 0 "[ . 1 . 2]" 2
41 1 90 HIS O 1 94 ARG N 3.300 2.400 3.300 2.758 2.687 2.827 . 0 0 "[ . 1 . 2]" 2
42 1 91 ASP O 1 95 LYS N 3.300 2.400 3.300 2.776 2.643 2.942 . 0 0 "[ . 1 . 2]" 2
43 1 92 GLN O 1 96 ARG N 3.300 2.400 3.300 3.121 2.875 3.329 0.029 1 0 "[ . 1 . 2]" 2
44 1 93 ALA O 1 97 LEU N 3.300 2.400 3.300 2.976 2.803 3.133 . 0 0 "[ . 1 . 2]" 2
45 1 94 ARG O 1 98 THR N 3.300 2.400 3.300 3.001 2.729 3.362 0.062 4 0 "[ . 1 . 2]" 2
46 1 65 PRO O 1 69 ALA N 3.300 2.400 3.300 3.009 2.890 3.235 . 0 0 "[ . 1 . 2]" 2
47 1 66 ALA O 1 70 GLY N 3.300 2.400 3.300 2.895 2.650 3.029 . 0 0 "[ . 1 . 2]" 2
48 1 34 GLY N 1 56 TYR O 3.300 2.400 3.300 2.915 2.615 3.094 . 0 0 "[ . 1 . 2]" 2
49 1 34 GLY O 1 56 TYR N 3.300 2.400 3.300 3.335 3.256 3.392 0.092 18 0 "[ . 1 . 2]" 2
50 1 36 GLY N 1 54 GLY O 3.300 2.400 3.300 2.907 2.738 3.377 0.077 5 0 "[ . 1 . 2]" 2
51 1 57 VAL N 1 75 ASP O 3.300 2.400 3.300 2.683 2.542 2.853 . 0 0 "[ . 1 . 2]" 2
52 1 57 VAL O 1 75 ASP N 3.300 2.400 3.300 3.280 3.219 3.334 0.034 16 0 "[ . 1 . 2]" 2
53 1 33 ILE MG 1 59 ARG H 4.690 . 4.690 5.697 4.906 6.923 2.233 12 9 "[ * -*+ *.* ***]" 2
54 1 32 SER O 1 58 THR H 2.300 . 2.300 1.767 1.663 1.867 0.037 13 0 "[ . 1 . 2]" 2
55 1 55 ILE H 1 77 ILE O 2.300 . 2.300 2.800 2.513 4.248 1.948 19 2 "[ - 1 . +2]" 2
56 1 55 ILE O 1 77 ILE H 2.300 . 2.300 1.747 1.548 1.976 0.152 6 0 "[ . 1 . 2]" 2
57 1 59 ARG H 1 73 ILE O 2.300 . 2.300 3.288 2.421 4.033 1.733 6 11 "[****.+-**1 * * * 2]" 2
58 1 59 ARG O 1 73 ILE H 2.300 . 2.300 2.834 2.527 3.133 0.833 8 9 "[ ** .* + 1 *.-***2]" 2
59 1 32 SER O 1 58 THR N 3.300 2.400 3.300 2.646 2.577 2.737 . 0 0 "[ . 1 . 2]" 2
60 1 55 ILE N 1 77 ILE O 3.300 2.400 3.300 3.662 3.391 4.971 1.671 19 2 "[ - 1 . +2]" 2
61 1 55 ILE O 1 77 ILE N 3.300 2.400 3.300 2.491 2.442 2.688 . 0 0 "[ . 1 . 2]" 2
62 1 59 ARG N 1 73 ILE O 3.300 2.400 3.300 3.157 2.812 3.455 0.155 4 0 "[ . 1 . 2]" 2
63 1 59 ARG O 1 73 ILE N 3.300 2.400 3.300 3.325 3.198 3.522 0.222 8 0 "[ . 1 . 2]" 2
stop_
save_
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