NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373155 |
1dqb   |
4630 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dqb
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 672
_Distance_constraint_stats_list.Viol_count 1796
_Distance_constraint_stats_list.Viol_total 4267.213
_Distance_constraint_stats_list.Viol_max 1.880
_Distance_constraint_stats_list.Viol_rms 0.1547
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0441
_Distance_constraint_stats_list.Viol_average_violations_only 0.1980
_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 2 MET 1.667 0.477 1 0 "[ . 1 ]"
1 3 GLU 6.600 0.511 7 1 "[ . + 1 ]"
1 4 PRO 7.718 1.267 9 10 "[-***** *+1**]"
1 5 VAL 9.801 0.546 5 11 [****+*-**1**]
1 6 ASP 4.571 0.787 12 2 "[- . 1 +]"
1 7 PRO 1.888 0.658 5 2 "[ * + 1 ]"
1 8 CYS 6.200 0.658 5 3 "[- * + 1 ]"
1 9 PHE 12.561 1.267 9 4 "[- . +* *]"
1 10 ARG 9.101 0.981 9 4 "[* . +* -]"
1 11 ALA 11.891 1.250 1 8 "[+- *.***** ]"
1 12 ASN 2.701 0.407 11 0 "[ . 1 ]"
1 13 CYS 6.797 0.533 5 3 "[ * + - 1 ]"
1 14 GLU 3.259 0.448 4 0 "[ . 1 ]"
1 15 TYR 40.725 1.880 10 11 "[*********+ -]"
1 16 GLN 19.970 1.068 3 7 "[ *+ ***-*1 ]"
1 17 CYS 3.832 0.541 1 1 "[+ . 1 ]"
1 18 GLN 6.234 0.562 2 6 "[*+*-. * * ]"
1 19 PRO 24.785 1.621 9 12 [-*******+***]
1 20 LEU 7.758 0.373 4 0 "[ . 1 ]"
1 21 ASN 5.939 0.504 1 1 "[+ . 1 ]"
1 22 GLN 4.614 0.508 4 1 "[ +. 1 ]"
1 23 THR 3.473 0.287 3 0 "[ . 1 ]"
1 24 SER 13.843 1.688 7 3 "[ -. +* 1 ]"
1 25 TYR 65.995 1.712 4 12 [***+********]
1 26 LEU 10.024 0.456 7 0 "[ . 1 ]"
1 27 CYS 5.015 0.456 7 0 "[ . 1 ]"
1 28 VAL 4.620 0.380 11 0 "[ . 1 ]"
1 29 CYS 12.940 1.128 3 8 "[*-+ * * ***]"
1 30 ALA 24.273 1.880 10 11 "[*********+ *]"
1 31 GLU 2.074 0.450 1 0 "[ . 1 ]"
1 32 GLY 3.049 1.050 12 2 "[ - . 1 +]"
1 33 PHE 32.003 1.173 9 12 [********+***]
1 34 ALA 1.411 0.428 9 0 "[ . 1 ]"
1 35 PRO 2.528 0.569 6 2 "[ .+ - ]"
1 36 ILE 3.446 0.346 11 0 "[ . 1 ]"
1 37 PRO 0.080 0.080 11 0 "[ . 1 ]"
1 38 HIS 2.667 0.284 11 0 "[ . 1 ]"
1 39 GLU 6.321 0.609 8 2 "[ . + - ]"
1 40 PRO 5.609 0.569 6 2 "[ .+ - ]"
1 41 HIS 6.251 0.357 11 0 "[ . 1 ]"
1 42 ARG 5.805 0.264 6 0 "[ . 1 ]"
1 43 CYS 3.194 0.448 4 0 "[ . 1 ]"
1 44 GLN 3.147 0.346 11 0 "[ . 1 ]"
1 45 MET 19.985 1.173 9 11 "[*******-+* *]"
1 46 PHE 7.324 1.050 12 3 "[ * . -1 +]"
1 47 CYS 1.653 0.412 10 0 "[ . 1 ]"
1 48 ASN 2.465 0.494 6 0 "[ . 1 ]"
1 49 GLN 4.680 0.520 8 1 "[ . + 1 ]"
1 50 THR 0.000 0.000 . 0 "[ . 1 ]"
1 51 ALA 3.449 0.520 8 1 "[ . + 1 ]"
1 52 CYS 0.765 0.172 10 0 "[ . 1 ]"
1 53 PRO 9.671 0.666 12 10 "[*****-** 1*+]"
1 54 ALA 7.416 0.855 12 10 "[*****-** 1*+]"
1 55 ASP 2.509 0.324 12 0 "[ . 1 ]"
1 56 CYS 4.664 0.745 7 1 "[ . + 1 ]"
1 57 ASP 10.060 0.745 7 7 "[ *-*+**1 *]"
1 58 PRO 1.009 0.516 7 1 "[ . + 1 ]"
1 59 ASN 3.604 0.516 7 1 "[ . + 1 ]"
1 60 THR 4.781 0.507 5 1 "[ + 1 ]"
1 61 GLN 8.400 0.716 12 2 "[ . 1-+]"
1 62 ALA 6.042 0.716 12 2 "[ . 1-+]"
1 63 SER 13.595 0.572 12 7 "[ *.**-*1*+]"
1 64 CYS 4.175 0.529 11 1 "[ . 1+ ]"
1 65 GLU 14.097 0.792 7 10 "[***-**+ *** ]"
1 66 CYS 8.466 0.546 11 3 "[ -. *+ ]"
1 67 PRO 6.861 0.981 4 5 "[- *+.* 1 *]"
1 68 GLU 7.753 0.564 12 3 "[- *. 1 +]"
1 69 GLY 1.453 0.237 8 0 "[ . 1 ]"
1 70 TYR 12.371 1.163 4 6 "[* *+*- * ]"
1 71 ILE 7.872 1.163 4 6 "[* *+*- * ]"
1 72 LEU 0.342 0.147 12 0 "[ . 1 ]"
1 73 ASP 4.045 0.764 12 4 "[* * -1 +]"
1 74 ASP 5.825 0.764 12 4 "[* * -1 +]"
1 75 GLY 4.787 0.855 12 1 "[ . 1 +]"
1 76 PHE 4.853 0.488 8 0 "[ . 1 ]"
1 77 ILE 1.576 0.235 11 0 "[ . 1 ]"
1 78 CYS 6.292 0.526 8 1 "[ . + 1 ]"
1 79 THR 0.009 0.009 1 0 "[ . 1 ]"
1 80 ASP 3.526 0.427 1 0 "[ . 1 ]"
1 81 ILE 7.072 0.800 8 8 "[ * *-**+*1* ]"
1 82 ASP 8.509 0.849 3 9 "[ *+*****-1* ]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET H 1 2 MET HA 3.000 . 3.000 2.853 2.289 2.964 . 0 0 "[ . 1 ]" 1
2 1 2 MET HA 1 3 GLU H 3.000 . 3.000 2.813 2.337 3.055 0.055 4 0 "[ . 1 ]" 1
3 1 2 MET QB 1 3 GLU HA 4.000 . 4.000 3.577 2.165 3.907 . 0 0 "[ . 1 ]" 1
4 1 2 MET QB 1 3 GLU QG 3.000 . 3.000 2.815 2.010 3.477 0.477 1 0 "[ . 1 ]" 1
5 1 3 GLU H 1 3 GLU HA 3.000 . 3.000 2.670 2.268 2.969 . 0 0 "[ . 1 ]" 1
6 1 3 GLU H 1 3 GLU HB2 4.000 . 4.000 3.460 2.678 3.987 . 0 0 "[ . 1 ]" 1
7 1 3 GLU H 1 3 GLU HB3 4.000 . 4.000 3.540 2.926 3.970 . 0 0 "[ . 1 ]" 1
8 1 3 GLU H 1 3 GLU QG 5.000 . 5.000 3.040 1.684 4.287 0.116 11 0 "[ . 1 ]" 1
9 1 3 GLU HA 1 3 GLU QG 3.000 . 3.000 2.966 2.018 3.369 0.369 7 0 "[ . 1 ]" 1
10 1 3 GLU HA 1 4 PRO QD . . 3.000 1.960 1.883 2.148 . 0 0 "[ . 1 ]" 1
11 1 3 GLU HB2 1 10 ARG QG 4.000 . 4.000 2.822 2.014 4.095 0.095 2 0 "[ . 1 ]" 1
12 1 3 GLU QG 1 5 VAL HA 4.000 . 4.000 4.039 3.218 4.511 0.511 7 1 "[ . + 1 ]" 1
13 1 4 PRO HA 1 5 VAL H 3.000 . 3.000 2.781 2.466 3.069 0.069 10 0 "[ . 1 ]" 1
14 1 4 PRO HA 1 5 VAL QG 5.000 . 5.000 3.224 1.764 4.723 0.036 4 0 "[ . 1 ]" 1
15 1 4 PRO QB 1 5 VAL H 4.000 . 4.000 3.481 2.609 3.966 . 0 0 "[ . 1 ]" 1
16 1 4 PRO QD 1 9 PHE QD 5.000 . 5.000 4.258 2.641 6.267 1.267 9 1 "[ . +1 ]" 1
17 1 4 PRO QG 1 5 VAL H 4.000 . 4.000 4.493 4.129 4.546 0.546 5 10 "[-***+* **1**]" 1
18 1 5 VAL H 1 5 VAL HB 3.000 . 3.000 2.808 2.090 3.041 0.041 1 0 "[ . 1 ]" 1
19 1 5 VAL H 1 5 VAL QG 4.000 . 4.000 2.346 1.703 2.988 0.097 2 0 "[ . 1 ]" 1
20 1 5 VAL HA 1 5 VAL HB 3.000 . 3.000 2.723 2.121 3.021 0.021 6 0 "[ . 1 ]" 1
21 1 5 VAL HA 1 6 ASP H 3.000 . 3.000 2.444 1.923 3.074 0.074 12 0 "[ . 1 ]" 1
22 1 5 VAL HA 1 10 ARG QG 4.000 . 4.000 3.457 2.500 3.943 . 0 0 "[ . 1 ]" 1
23 1 5 VAL HB 1 6 ASP H 4.000 . 4.000 4.020 3.582 4.201 0.201 10 0 "[ . 1 ]" 1
24 1 5 VAL QG 1 6 ASP H 5.000 . 5.000 3.066 1.786 3.847 0.014 9 0 "[ . 1 ]" 1
25 1 5 VAL QG 1 9 PHE QB 5.000 . 5.000 4.104 3.652 4.490 . 0 0 "[ . 1 ]" 1
26 1 5 VAL QG 1 9 PHE QD 5.000 . 5.000 4.431 1.925 5.288 0.288 12 0 "[ . 1 ]" 1
27 1 6 ASP H 1 6 ASP HA 3.000 . 3.000 2.520 2.255 2.741 . 0 0 "[ . 1 ]" 1
28 1 6 ASP H 1 6 ASP HB2 4.000 . 4.000 3.137 2.253 4.009 0.009 4 0 "[ . 1 ]" 1
29 1 6 ASP H 1 6 ASP HB3 4.000 . 4.000 2.921 2.120 3.754 . 0 0 "[ . 1 ]" 1
30 1 6 ASP H 1 9 PHE H 4.000 . 4.000 3.886 2.905 4.029 0.029 6 0 "[ . 1 ]" 1
31 1 6 ASP HA 1 6 ASP HB3 3.000 . 3.000 2.733 2.366 3.014 0.014 7 0 "[ . 1 ]" 1
32 1 6 ASP HA 1 8 CYS H 4.000 . 4.000 3.567 2.584 4.112 0.112 12 0 "[ . 1 ]" 1
33 1 6 ASP HB2 1 8 CYS H 5.000 . 5.000 3.178 2.040 3.929 . 0 0 "[ . 1 ]" 1
34 1 6 ASP HB2 1 8 CYS HA 5.000 . 5.000 3.765 2.552 5.174 0.174 7 0 "[ . 1 ]" 1
35 1 6 ASP HB2 1 9 PHE H 4.000 . 4.000 2.315 1.772 3.453 0.028 12 0 "[ . 1 ]" 1
36 1 6 ASP HB2 1 9 PHE QB 4.000 . 4.000 2.549 1.816 3.324 . 0 0 "[ . 1 ]" 1
37 1 6 ASP HB3 1 8 CYS H 5.000 . 5.000 3.605 1.741 5.028 0.059 12 0 "[ . 1 ]" 1
38 1 6 ASP HB3 1 8 CYS HA 5.000 . 5.000 4.506 3.733 5.055 0.055 8 0 "[ . 1 ]" 1
39 1 6 ASP HB3 1 9 PHE H 4.000 . 4.000 3.013 1.781 3.774 0.019 7 0 "[ . 1 ]" 1
40 1 6 ASP HB3 1 9 PHE QB 3.000 . 3.000 2.688 1.922 3.787 0.787 12 2 "[- . 1 +]" 1
41 1 6 ASP HB3 1 9 PHE QD 5.000 . 5.000 4.337 2.103 5.726 0.726 12 1 "[ . 1 +]" 1
42 1 7 PRO HA 1 8 CYS H 4.000 . 4.000 3.297 1.773 3.610 0.027 5 0 "[ . 1 ]" 1
43 1 7 PRO QB 1 8 CYS H 4.000 . 4.000 2.555 1.849 3.754 . 0 0 "[ . 1 ]" 1
44 1 7 PRO QD 1 8 CYS H 4.000 . 4.000 2.974 2.133 4.563 0.563 5 1 "[ + 1 ]" 1
45 1 7 PRO QG 1 8 CYS H 4.000 . 4.000 3.051 2.440 4.658 0.658 5 2 "[ - + 1 ]" 1
46 1 8 CYS H 1 8 CYS HA 3.000 . 3.000 2.805 2.336 2.938 . 0 0 "[ . 1 ]" 1
47 1 8 CYS H 1 8 CYS HB2 3.000 . 3.000 2.727 2.332 3.037 0.037 3 0 "[ . 1 ]" 1
48 1 8 CYS H 1 8 CYS HB3 3.000 . 3.000 2.585 2.159 3.141 0.141 5 0 "[ . 1 ]" 1
49 1 8 CYS H 1 9 PHE H 3.000 . 3.000 2.759 2.274 3.055 0.055 5 0 "[ . 1 ]" 1
50 1 8 CYS H 1 11 ALA MB 5.500 . 5.500 4.685 4.061 4.868 . 0 0 "[ . 1 ]" 1
51 1 8 CYS H 1 25 TYR QB 5.000 . 5.000 4.460 4.242 4.598 . 0 0 "[ . 1 ]" 1
52 1 8 CYS HA 1 8 CYS HB2 3.000 . 3.000 2.464 2.274 2.712 . 0 0 "[ . 1 ]" 1
53 1 8 CYS HA 1 8 CYS HB3 3.000 . 3.000 3.017 2.998 3.049 0.049 6 0 "[ . 1 ]" 1
54 1 8 CYS HA 1 9 PHE H 4.000 . 4.000 3.346 2.109 3.565 . 0 0 "[ . 1 ]" 1
55 1 8 CYS HA 1 11 ALA MB 3.000 . 3.000 2.494 2.280 2.774 . 0 0 "[ . 1 ]" 1
56 1 8 CYS HA 1 17 CYS QB 4.000 . 4.000 3.757 2.368 4.541 0.541 1 1 "[+ . 1 ]" 1
57 1 8 CYS HA 1 25 TYR QD 4.000 . 4.000 3.336 2.633 4.117 0.117 10 0 "[ . 1 ]" 1
58 1 8 CYS HA 1 25 TYR QE 5.000 . 5.000 3.749 2.576 5.036 0.036 6 0 "[ . 1 ]" 1
59 1 8 CYS HB2 1 9 PHE H 4.000 . 4.000 3.825 3.175 4.160 0.160 3 0 "[ . 1 ]" 1
60 1 8 CYS HB2 1 11 ALA MB 5.000 . 5.000 3.928 2.994 4.417 . 0 0 "[ . 1 ]" 1
61 1 8 CYS HB3 1 9 PHE H 4.000 . 4.000 2.758 1.760 4.062 0.062 9 0 "[ . 1 ]" 1
62 1 8 CYS HB3 1 11 ALA MB 5.000 . 5.000 4.127 3.706 4.490 . 0 0 "[ . 1 ]" 1
63 1 9 PHE H 1 9 PHE HA 3.000 . 3.000 2.607 2.384 2.700 . 0 0 "[ . 1 ]" 1
64 1 9 PHE H 1 9 PHE QB 3.000 . 3.000 2.205 1.944 2.462 . 0 0 "[ . 1 ]" 1
65 1 9 PHE H 1 9 PHE QD 5.000 . 5.000 3.984 3.600 4.316 . 0 0 "[ . 1 ]" 1
66 1 9 PHE HA 1 9 PHE QD 3.000 . 3.000 2.547 1.983 3.149 0.149 3 0 "[ . 1 ]" 1
67 1 9 PHE HA 1 9 PHE QE 5.000 . 5.000 4.486 4.219 4.766 . 0 0 "[ . 1 ]" 1
68 1 9 PHE HA 1 10 ARG H 3.000 . 3.000 2.802 2.364 3.228 0.228 12 0 "[ . 1 ]" 1
69 1 9 PHE HA 1 11 ALA H 4.000 . 4.000 3.502 2.450 4.048 0.048 2 0 "[ . 1 ]" 1
70 1 9 PHE QB 1 9 PHE QD . . 3.000 2.205 2.173 2.305 . 0 0 "[ . 1 ]" 1
71 1 9 PHE QB 1 9 PHE QE 4.000 . 4.000 4.025 4.011 4.067 0.067 1 0 "[ . 1 ]" 1
72 1 9 PHE QB 1 10 ARG H 4.000 . 4.000 2.635 1.758 3.620 0.042 2 0 "[ . 1 ]" 1
73 1 9 PHE QD 1 10 ARG HA 5.000 . 5.000 3.607 2.258 4.614 . 0 0 "[ . 1 ]" 1
74 1 9 PHE QD 1 10 ARG QB 5.000 . 5.000 3.291 2.223 4.603 . 0 0 "[ . 1 ]" 1
75 1 9 PHE QD 1 10 ARG QG 4.000 . 4.000 3.555 2.317 4.981 0.981 9 2 "[ . +- ]" 1
76 1 9 PHE QE 1 10 ARG QB 5.000 . 5.000 4.914 3.773 5.897 0.897 1 2 "[+ . 1 -]" 1
77 1 9 PHE QE 1 10 ARG QG 5.000 . 5.000 4.389 3.243 5.335 0.335 9 0 "[ . 1 ]" 1
78 1 10 ARG H 1 10 ARG HA 3.000 . 3.000 2.555 2.186 2.997 . 0 0 "[ . 1 ]" 1
79 1 10 ARG H 1 10 ARG QG 5.000 . 5.000 3.664 3.245 4.036 . 0 0 "[ . 1 ]" 1
80 1 10 ARG H 1 11 ALA H 3.000 . 3.000 2.642 1.794 3.054 0.054 5 0 "[ . 1 ]" 1
81 1 10 ARG HA 1 10 ARG QD 4.000 . 4.000 3.007 1.879 3.986 . 0 0 "[ . 1 ]" 1
82 1 10 ARG HA 1 10 ARG QG 3.000 . 3.000 2.188 1.921 2.805 . 0 0 "[ . 1 ]" 1
83 1 10 ARG HA 1 11 ALA H 3.000 . 3.000 3.116 3.030 3.219 0.219 6 0 "[ . 1 ]" 1
84 1 10 ARG QB 1 10 ARG QD 3.000 . 3.000 2.440 2.013 3.125 0.125 2 0 "[ . 1 ]" 1
85 1 10 ARG QB 1 11 ALA H 4.000 . 4.000 3.213 2.084 3.583 . 0 0 "[ . 1 ]" 1
86 1 10 ARG QD 1 11 ALA H 5.000 . 5.000 4.828 4.340 5.255 0.255 8 0 "[ . 1 ]" 1
87 1 11 ALA H 1 11 ALA HA 3.000 . 3.000 2.667 2.483 2.733 . 0 0 "[ . 1 ]" 1
88 1 11 ALA H 1 11 ALA MB 3.000 . 3.000 2.282 2.114 2.620 . 0 0 "[ . 1 ]" 1
89 1 11 ALA HA 1 12 ASN H 4.000 . 4.000 2.927 2.159 3.799 . 0 0 "[ . 1 ]" 1
90 1 11 ALA HA 1 12 ASN QB 5.000 . 5.000 4.699 4.302 5.407 0.407 11 0 "[ . 1 ]" 1
91 1 11 ALA HA 1 25 TYR QD 4.000 . 4.000 4.674 4.320 5.250 1.250 1 8 "[+- *.***** ]" 1
92 1 11 ALA HA 1 25 TYR QE 4.000 . 4.000 2.946 1.993 3.813 . 0 0 "[ . 1 ]" 1
93 1 11 ALA MB 1 12 ASN H 4.000 . 4.000 2.938 1.724 3.775 0.076 5 0 "[ . 1 ]" 1
94 1 11 ALA MB 1 13 CYS H 4.000 . 4.000 2.439 1.567 3.026 0.233 8 0 "[ . 1 ]" 1
95 1 11 ALA MB 1 17 CYS QB 5.000 . 5.000 3.331 1.939 4.157 . 0 0 "[ . 1 ]" 1
96 1 11 ALA MB 1 25 TYR QD 4.000 . 4.000 3.191 2.538 4.087 0.087 10 0 "[ . 1 ]" 1
97 1 11 ALA MB 1 25 TYR QE 4.000 . 4.000 2.722 1.931 4.007 0.007 10 0 "[ . 1 ]" 1
98 1 12 ASN H 1 12 ASN HA 3.000 . 3.000 2.869 2.695 2.965 . 0 0 "[ . 1 ]" 1
99 1 12 ASN H 1 13 CYS H 5.000 . 5.000 2.931 1.838 4.446 . 0 0 "[ . 1 ]" 1
100 1 12 ASN HA 1 13 CYS H 3.000 . 3.000 2.938 2.574 3.070 0.070 10 0 "[ . 1 ]" 1
101 1 12 ASN QB 1 13 CYS H 4.000 . 4.000 3.990 3.590 4.210 0.210 3 0 "[ . 1 ]" 1
102 1 12 ASN QB 1 41 HIS HD2 5.000 . 5.000 4.758 3.376 5.357 0.357 11 0 "[ . 1 ]" 1
103 1 13 CYS H 1 13 CYS HA 3.000 . 3.000 2.536 2.435 2.638 . 0 0 "[ . 1 ]" 1
104 1 13 CYS H 1 13 CYS QB . . 3.000 2.777 2.351 2.895 . 0 0 "[ . 1 ]" 1
105 1 13 CYS H 1 14 GLU H 4.000 . 4.000 4.037 4.016 4.062 0.062 7 0 "[ . 1 ]" 1
106 1 13 CYS H 1 27 CYS HB2 5.000 . 5.000 4.584 4.250 4.921 . 0 0 "[ . 1 ]" 1
107 1 13 CYS HA 1 14 GLU H 3.000 . 3.000 2.068 1.826 2.164 . 0 0 "[ . 1 ]" 1
108 1 13 CYS HA 1 27 CYS HB2 3.000 . 3.000 2.997 2.754 3.095 0.095 7 0 "[ . 1 ]" 1
109 1 13 CYS HA 1 41 HIS HB2 4.000 . 4.000 2.631 2.163 3.384 . 0 0 "[ . 1 ]" 1
110 1 13 CYS QB 1 14 GLU H 4.000 . 4.000 3.614 3.100 3.749 . 0 0 "[ . 1 ]" 1
111 1 13 CYS QB 1 16 GLN HA 3.000 . 3.000 1.951 1.884 1.995 . 0 0 "[ . 1 ]" 1
112 1 13 CYS QB 1 16 GLN QG 3.000 . 3.000 3.399 3.163 3.533 0.533 5 3 "[ * + - 1 ]" 1
113 1 13 CYS QB 1 17 CYS H 5.000 . 5.000 3.712 3.401 3.844 . 0 0 "[ . 1 ]" 1
114 1 13 CYS QB 1 17 CYS QB 5.000 . 5.000 4.119 3.593 4.687 . 0 0 "[ . 1 ]" 1
115 1 13 CYS QB 1 27 CYS HA 4.000 . 4.000 3.603 2.842 3.869 . 0 0 "[ . 1 ]" 1
116 1 14 GLU H 1 14 GLU HA 3.000 . 3.000 2.717 2.587 2.973 . 0 0 "[ . 1 ]" 1
117 1 14 GLU H 1 14 GLU HB2 3.000 . 3.000 2.573 2.239 2.963 . 0 0 "[ . 1 ]" 1
118 1 14 GLU H 1 14 GLU HB3 3.000 . 3.000 2.734 2.374 3.021 0.021 4 0 "[ . 1 ]" 1
119 1 14 GLU H 1 14 GLU QG 4.000 . 4.000 4.077 3.848 4.225 0.225 10 0 "[ . 1 ]" 1
120 1 14 GLU H 1 41 HIS HB2 4.000 . 4.000 2.566 1.587 3.539 0.213 4 0 "[ . 1 ]" 1
121 1 14 GLU HA 1 14 GLU HB2 3.000 . 3.000 2.482 2.295 2.671 . 0 0 "[ . 1 ]" 1
122 1 14 GLU HA 1 14 GLU HB3 3.000 . 3.000 3.026 3.013 3.038 0.038 6 0 "[ . 1 ]" 1
123 1 14 GLU HA 1 15 TYR H 4.000 . 4.000 3.576 3.391 3.766 . 0 0 "[ . 1 ]" 1
124 1 14 GLU HA 1 41 HIS HD2 5.000 . 5.000 3.781 2.652 4.985 . 0 0 "[ . 1 ]" 1
125 1 14 GLU HB2 1 15 TYR H 4.000 . 4.000 3.489 3.256 4.007 0.007 7 0 "[ . 1 ]" 1
126 1 14 GLU HB2 1 41 HIS HD2 4.000 . 4.000 2.538 1.990 4.013 0.013 2 0 "[ . 1 ]" 1
127 1 14 GLU HB3 1 15 TYR H 4.000 . 4.000 2.014 1.777 2.548 0.023 1 0 "[ . 1 ]" 1
128 1 14 GLU HB3 1 41 HIS HD2 4.000 . 4.000 3.621 2.911 4.198 0.198 2 0 "[ . 1 ]" 1
129 1 14 GLU HB3 1 43 CYS H 4.000 . 4.000 3.819 2.925 4.448 0.448 4 0 "[ . 1 ]" 1
130 1 14 GLU QG 1 15 TYR H 4.000 . 4.000 2.797 1.963 3.852 . 0 0 "[ . 1 ]" 1
131 1 15 TYR H 1 15 TYR HA 3.000 . 3.000 2.843 2.718 2.903 . 0 0 "[ . 1 ]" 1
132 1 15 TYR H 1 15 TYR HB2 3.000 . 3.000 2.241 2.142 2.368 . 0 0 "[ . 1 ]" 1
133 1 15 TYR H 1 15 TYR HB3 3.000 . 3.000 2.874 2.692 2.972 . 0 0 "[ . 1 ]" 1
134 1 15 TYR H 1 15 TYR QD 4.000 . 4.000 3.997 3.855 4.165 0.165 11 0 "[ . 1 ]" 1
135 1 15 TYR H 1 16 GLN H 4.000 . 4.000 3.968 3.735 4.018 0.018 7 0 "[ . 1 ]" 1
136 1 15 TYR HA 1 15 TYR HB2 3.000 . 3.000 2.656 2.581 2.706 . 0 0 "[ . 1 ]" 1
137 1 15 TYR HA 1 15 TYR QD 3.000 . 3.000 2.627 1.989 3.119 0.119 5 0 "[ . 1 ]" 1
138 1 15 TYR HA 1 15 TYR QE 4.000 . 4.000 4.441 4.217 4.728 0.728 5 4 "[ +** 1 -]" 1
139 1 15 TYR HA 1 16 GLN H 3.000 . 3.000 3.048 3.015 3.096 0.096 1 0 "[ . 1 ]" 1
140 1 15 TYR HB2 1 16 GLN H 3.000 . 3.000 3.156 3.135 3.181 0.181 10 0 "[ . 1 ]" 1
141 1 15 TYR HB3 1 15 TYR QD 3.000 . 3.000 2.479 2.336 2.815 . 0 0 "[ . 1 ]" 1
142 1 15 TYR HB3 1 16 GLN H 3.000 . 3.000 1.728 1.696 1.756 0.104 7 0 "[ . 1 ]" 1
143 1 15 TYR HB3 1 29 CYS H 5.000 . 5.000 3.898 2.601 4.743 . 0 0 "[ . 1 ]" 1
144 1 15 TYR QD 1 16 GLN H 4.000 . 4.000 1.826 1.586 2.482 0.214 12 0 "[ . 1 ]" 1
145 1 15 TYR QD 1 16 GLN HA 5.000 . 5.000 4.202 3.370 4.988 . 0 0 "[ . 1 ]" 1
146 1 15 TYR QD 1 16 GLN QB . . 3.000 2.604 2.017 3.683 0.683 9 2 "[ - . +1 ]" 1
147 1 15 TYR QD 1 16 GLN QG 5.000 . 5.000 4.537 3.682 5.394 0.394 3 0 "[ . 1 ]" 1
148 1 15 TYR QD 1 28 VAL HB 4.000 . 4.000 2.549 1.982 4.380 0.380 11 0 "[ . 1 ]" 1
149 1 15 TYR QD 1 28 VAL QG . . 4.000 2.341 1.791 3.824 0.009 5 0 "[ . 1 ]" 1
150 1 15 TYR QD 1 30 ALA H 4.000 . 4.000 4.085 2.185 5.000 1.000 5 4 "[ * +* - ]" 1
151 1 15 TYR QD 1 30 ALA MB 5.000 . 5.000 3.970 2.913 5.118 0.118 4 0 "[ . 1 ]" 1
152 1 15 TYR QE 1 16 GLN H 5.000 . 5.000 3.993 3.822 4.209 . 0 0 "[ . 1 ]" 1
153 1 15 TYR QE 1 16 GLN QB 4.000 . 4.000 3.391 2.681 4.224 0.224 9 0 "[ . 1 ]" 1
154 1 15 TYR QE 1 16 GLN QG 5.000 . 5.000 5.284 4.108 6.068 1.068 3 4 "[ + .-* *1 ]" 1
155 1 15 TYR QE 1 28 VAL HB 5.000 . 5.000 3.957 2.927 5.103 0.103 5 0 "[ . 1 ]" 1
156 1 15 TYR QE 1 28 VAL QG 5.000 . 5.000 3.210 2.657 4.343 . 0 0 "[ . 1 ]" 1
157 1 15 TYR QE 1 30 ALA HA 3.000 . 3.000 4.288 2.808 4.880 1.880 10 11 "[*******-*+ *]" 1
158 1 15 TYR QE 1 30 ALA MB 4.000 . 4.000 3.639 2.311 4.920 0.920 4 2 "[ - +. 1 ]" 1
159 1 16 GLN H 1 16 GLN QG 4.000 . 4.000 4.054 3.783 4.171 0.171 7 0 "[ . 1 ]" 1
160 1 16 GLN H 1 17 CYS H 5.000 . 5.000 4.109 4.055 4.172 . 0 0 "[ . 1 ]" 1
161 1 16 GLN H 1 28 VAL H 4.000 . 4.000 3.429 2.575 4.041 0.041 1 0 "[ . 1 ]" 1
162 1 16 GLN H 1 28 VAL HB 5.000 . 5.000 3.116 2.112 4.457 . 0 0 "[ . 1 ]" 1
163 1 16 GLN H 1 28 VAL QG 5.000 . 5.000 2.515 1.565 2.960 0.235 5 0 "[ . 1 ]" 1
164 1 16 GLN HA 1 16 GLN QG 3.000 . 3.000 2.199 2.076 2.290 . 0 0 "[ . 1 ]" 1
165 1 16 GLN HA 1 17 CYS H 3.000 . 3.000 2.734 2.480 2.934 . 0 0 "[ . 1 ]" 1
166 1 16 GLN HA 1 28 VAL QG 4.000 . 4.000 3.538 3.252 3.637 . 0 0 "[ . 1 ]" 1
167 1 16 GLN QB 1 16 GLN HE21 4.000 . 4.000 2.596 1.806 3.722 . 0 0 "[ . 1 ]" 1
168 1 16 GLN QB 1 16 GLN HE22 4.000 . 4.000 3.099 2.372 3.729 . 0 0 "[ . 1 ]" 1
169 1 16 GLN QB 1 17 CYS H 3.000 . 3.000 1.849 1.764 2.177 0.036 7 0 "[ . 1 ]" 1
170 1 16 GLN QB 1 28 VAL HB 4.000 . 4.000 3.740 3.359 3.963 . 0 0 "[ . 1 ]" 1
171 1 16 GLN QB 1 28 VAL QG 4.000 . 4.000 1.962 1.706 2.157 0.094 5 0 "[ . 1 ]" 1
172 1 16 GLN QG 1 17 CYS H 3.000 . 3.000 1.733 1.541 1.973 0.259 1 0 "[ . 1 ]" 1
173 1 17 CYS H 1 17 CYS QB 3.000 . 3.000 2.523 2.203 3.095 0.095 3 0 "[ . 1 ]" 1
174 1 17 CYS H 1 18 GLN H 5.000 . 5.000 4.497 4.140 4.730 . 0 0 "[ . 1 ]" 1
175 1 17 CYS H 1 28 VAL QG 5.000 . 5.000 2.575 2.320 2.883 . 0 0 "[ . 1 ]" 1
176 1 17 CYS HA 1 18 GLN H 3.000 . 3.000 2.424 2.082 2.630 . 0 0 "[ . 1 ]" 1
177 1 17 CYS HA 1 27 CYS HA 3.000 . 3.000 2.629 2.084 3.027 0.027 2 0 "[ . 1 ]" 1
178 1 17 CYS HA 1 28 VAL H 4.000 . 4.000 3.366 2.292 4.011 0.011 7 0 "[ . 1 ]" 1
179 1 17 CYS HA 1 28 VAL QG 4.000 . 4.000 2.777 2.235 3.276 . 0 0 "[ . 1 ]" 1
180 1 17 CYS QB 1 18 GLN H 4.000 . 4.000 3.666 2.905 4.159 0.159 4 0 "[ . 1 ]" 1
181 1 18 GLN H 1 18 GLN HA 3.000 . 3.000 2.879 2.666 2.933 . 0 0 "[ . 1 ]" 1
182 1 18 GLN H 1 18 GLN QB 3.000 . 3.000 2.234 1.905 2.763 . 0 0 "[ . 1 ]" 1
183 1 18 GLN H 1 19 PRO QD 5.000 . 5.000 4.204 3.631 4.990 . 0 0 "[ . 1 ]" 1
184 1 18 GLN H 1 25 TYR QB 5.000 . 5.000 4.543 3.305 4.913 . 0 0 "[ . 1 ]" 1
185 1 18 GLN H 1 26 LEU H 4.000 . 4.000 3.642 3.014 4.005 0.005 3 0 "[ . 1 ]" 1
186 1 18 GLN H 1 26 LEU HG 4.000 . 4.000 2.900 1.882 3.941 . 0 0 "[ . 1 ]" 1
187 1 18 GLN H 1 27 CYS HA 4.000 . 4.000 2.758 2.142 4.021 0.021 1 0 "[ . 1 ]" 1
188 1 18 GLN H 1 28 VAL H 4.000 . 4.000 3.509 2.389 4.036 0.036 1 0 "[ . 1 ]" 1
189 1 18 GLN H 1 28 VAL QG . . 4.000 2.557 2.039 3.304 . 0 0 "[ . 1 ]" 1
190 1 18 GLN HA 1 18 GLN QG 4.000 . 4.000 2.619 2.104 3.493 . 0 0 "[ . 1 ]" 1
191 1 18 GLN QB 1 26 LEU H . . 4.000 2.674 2.356 3.274 . 0 0 "[ . 1 ]" 1
192 1 18 GLN QB 1 26 LEU QB 4.000 . 4.000 3.067 2.360 3.890 . 0 0 "[ . 1 ]" 1
193 1 18 GLN HE21 1 28 VAL QG 4.000 . 4.000 2.657 1.847 3.409 . 0 0 "[ . 1 ]" 1
194 1 18 GLN HE22 1 28 VAL QG 4.000 . 4.000 2.836 2.313 3.358 . 0 0 "[ . 1 ]" 1
195 1 18 GLN QG 1 25 TYR HA 4.000 . 4.000 4.499 4.448 4.562 0.562 2 6 "[*+*-. * * ]" 1
196 1 18 GLN QG 1 26 LEU H 5.000 . 5.000 4.086 3.054 4.724 . 0 0 "[ . 1 ]" 1
197 1 19 PRO HA 1 25 TYR QB 4.000 . 4.000 1.990 1.753 2.929 0.047 3 0 "[ . 1 ]" 1
198 1 19 PRO HA 1 25 TYR QD 5.000 . 5.000 4.014 3.403 4.818 . 0 0 "[ . 1 ]" 1
199 1 19 PRO QB 1 20 LEU H 4.000 . 4.000 3.808 2.699 4.114 0.114 11 0 "[ . 1 ]" 1
200 1 19 PRO QB 1 21 ASN H 4.000 . 4.000 3.415 2.504 4.504 0.504 1 1 "[+ . 1 ]" 1
201 1 19 PRO QB 1 25 TYR QD 4.000 . 4.000 4.442 3.663 4.967 0.967 6 7 "[ ***+ -1**]" 1
202 1 19 PRO QG 1 20 LEU H 5.000 . 5.000 5.055 4.556 5.373 0.373 4 0 "[ . 1 ]" 1
203 1 19 PRO QG 1 25 TYR QB 4.000 . 4.000 3.864 3.028 4.179 0.179 12 0 "[ . 1 ]" 1
204 1 19 PRO QG 1 25 TYR QD 4.000 . 4.000 5.240 4.734 5.621 1.621 9 12 [******-*+***] 1
205 1 20 LEU H 1 20 LEU HA 3.000 . 3.000 2.487 2.215 2.910 . 0 0 "[ . 1 ]" 1
206 1 20 LEU H 1 20 LEU QD 4.000 . 4.000 3.698 1.857 4.261 0.261 5 0 "[ . 1 ]" 1
207 1 20 LEU H 1 21 ASN H 3.000 . 3.000 2.953 2.376 3.201 0.201 2 0 "[ . 1 ]" 1
208 1 20 LEU H 1 25 TYR HA 3.000 . 3.000 2.159 1.711 2.921 0.089 7 0 "[ . 1 ]" 1
209 1 20 LEU H 1 25 TYR QB 4.000 . 4.000 3.220 2.387 3.885 . 0 0 "[ . 1 ]" 1
210 1 20 LEU H 1 26 LEU H 4.000 . 4.000 2.705 2.050 3.375 . 0 0 "[ . 1 ]" 1
211 1 20 LEU HA 1 20 LEU HG 4.000 . 4.000 2.756 1.988 3.190 . 0 0 "[ . 1 ]" 1
212 1 20 LEU HA 1 26 LEU H 5.000 . 5.000 4.275 3.611 5.034 0.034 10 0 "[ . 1 ]" 1
213 1 20 LEU QB 1 21 ASN H 4.000 . 4.000 2.596 1.970 3.736 . 0 0 "[ . 1 ]" 1
214 1 20 LEU QB 1 24 SER H 5.000 . 5.000 3.343 1.970 4.339 . 0 0 "[ . 1 ]" 1
215 1 20 LEU QB 1 24 SER HA 4.000 . 4.000 3.185 1.969 4.373 0.373 10 0 "[ . 1 ]" 1
216 1 20 LEU QB 1 24 SER QB 4.000 . 4.000 3.099 1.777 3.958 0.023 7 0 "[ . 1 ]" 1
217 1 20 LEU QB 1 25 TYR HA 4.000 . 4.000 3.061 1.886 3.995 . 0 0 "[ . 1 ]" 1
218 1 20 LEU QD 1 21 ASN H 5.000 . 5.000 2.827 1.716 3.807 0.084 9 0 "[ . 1 ]" 1
219 1 20 LEU QD 1 24 SER H 5.000 . 5.000 3.064 1.569 3.847 0.231 10 0 "[ . 1 ]" 1
220 1 20 LEU QD 1 24 SER HA 5.000 . 5.000 2.980 1.940 4.072 . 0 0 "[ . 1 ]" 1
221 1 20 LEU QD 1 24 SER QB 4.000 . 4.000 2.164 1.628 3.182 0.172 8 0 "[ . 1 ]" 1
222 1 20 LEU QD 1 25 TYR H 5.000 . 5.000 3.281 2.394 4.947 . 0 0 "[ . 1 ]" 1
223 1 20 LEU QD 1 25 TYR HA 5.000 . 5.000 4.048 3.001 4.737 . 0 0 "[ . 1 ]" 1
224 1 20 LEU HG 1 21 ASN H 3.000 . 3.000 3.149 3.067 3.350 0.350 6 0 "[ . 1 ]" 1
225 1 20 LEU HG 1 24 SER QB 4.000 . 4.000 3.299 2.843 3.583 . 0 0 "[ . 1 ]" 1
226 1 21 ASN H 1 21 ASN HA 3.000 . 3.000 2.615 2.351 2.795 . 0 0 "[ . 1 ]" 1
227 1 21 ASN H 1 21 ASN HB3 4.000 . 4.000 3.444 2.557 4.063 0.063 8 0 "[ . 1 ]" 1
228 1 21 ASN H 1 24 SER H 4.000 . 4.000 4.052 3.813 4.124 0.124 1 0 "[ . 1 ]" 1
229 1 21 ASN H 1 25 TYR HA 5.000 . 5.000 4.002 3.003 4.226 . 0 0 "[ . 1 ]" 1
230 1 21 ASN HA 1 21 ASN HB2 3.000 . 3.000 2.762 2.390 3.043 0.043 8 0 "[ . 1 ]" 1
231 1 21 ASN HA 1 21 ASN HB3 3.000 . 3.000 2.724 2.425 3.027 0.027 9 0 "[ . 1 ]" 1
232 1 21 ASN HA 1 22 GLN H 4.000 . 4.000 3.016 2.040 3.495 . 0 0 "[ . 1 ]" 1
233 1 21 ASN HA 1 23 THR H 4.000 . 4.000 3.697 2.285 4.079 0.079 11 0 "[ . 1 ]" 1
234 1 21 ASN HB3 1 22 GLN H 4.000 . 4.000 3.451 1.796 4.463 0.463 4 0 "[ . 1 ]" 1
235 1 22 GLN H 1 22 GLN QG 5.000 . 5.000 3.549 1.900 4.152 . 0 0 "[ . 1 ]" 1
236 1 22 GLN H 1 23 THR H 5.000 . 5.000 3.289 2.004 4.955 . 0 0 "[ . 1 ]" 1
237 1 22 GLN HA 1 22 GLN QG 4.000 . 4.000 2.465 2.066 3.378 . 0 0 "[ . 1 ]" 1
238 1 22 GLN HA 1 23 THR H 5.000 . 5.000 3.376 2.779 3.850 . 0 0 "[ . 1 ]" 1
239 1 22 GLN QB 1 23 THR H 4.000 . 4.000 3.441 2.590 4.279 0.279 2 0 "[ . 1 ]" 1
240 1 22 GLN QB 1 24 SER H 4.000 . 4.000 3.931 2.005 4.508 0.508 4 1 "[ +. 1 ]" 1
241 1 23 THR H 1 23 THR HA 3.000 . 3.000 2.835 2.658 2.913 . 0 0 "[ . 1 ]" 1
242 1 23 THR H 1 23 THR MG 4.000 . 4.000 2.974 1.593 3.850 0.207 10 0 "[ . 1 ]" 1
243 1 23 THR HA 1 24 SER H 3.000 . 3.000 2.808 2.065 3.287 0.287 3 0 "[ . 1 ]" 1
244 1 23 THR HB 1 25 TYR HA 3.000 . 3.000 3.026 2.866 3.277 0.277 2 0 "[ . 1 ]" 1
245 1 24 SER H 1 24 SER HA 3.000 . 3.000 2.496 2.168 2.934 . 0 0 "[ . 1 ]" 1
246 1 24 SER H 1 24 SER QB . . 3.000 2.658 2.043 2.982 . 0 0 "[ . 1 ]" 1
247 1 24 SER H 1 25 TYR H 4.000 . 4.000 3.360 1.986 4.149 0.149 1 0 "[ . 1 ]" 1
248 1 24 SER HA 1 25 TYR H 3.000 . 3.000 2.572 2.107 3.193 0.193 7 0 "[ . 1 ]" 1
249 1 24 SER HA 1 25 TYR QD 4.000 . 4.000 4.279 3.471 5.688 1.688 7 2 "[ . +- 1 ]" 1
250 1 24 SER QB 1 25 TYR H . . 3.000 2.816 2.572 2.955 . 0 0 "[ . 1 ]" 1
251 1 24 SER QB 1 25 TYR QD 5.000 . 5.000 4.363 3.765 5.110 0.110 8 0 "[ . 1 ]" 1
252 1 25 TYR H 1 25 TYR QB 3.000 . 3.000 2.546 2.096 2.960 . 0 0 "[ . 1 ]" 1
253 1 25 TYR H 1 25 TYR QD 4.000 . 4.000 2.656 1.789 3.935 0.011 12 0 "[ . 1 ]" 1
254 1 25 TYR H 1 26 LEU H 5.000 . 5.000 4.363 4.048 4.660 . 0 0 "[ . 1 ]" 1
255 1 25 TYR HA 1 25 TYR QD 4.000 . 4.000 3.761 3.726 3.792 . 0 0 "[ . 1 ]" 1
256 1 25 TYR HA 1 25 TYR QE 4.000 . 4.000 5.697 5.668 5.712 1.712 4 12 [***+******-*] 1
257 1 25 TYR HA 1 26 LEU H 3.000 . 3.000 2.063 1.898 2.565 . 0 0 "[ . 1 ]" 1
258 1 25 TYR HA 1 26 LEU QB 3.000 . 3.000 3.060 3.014 3.135 0.135 2 0 "[ . 1 ]" 1
259 1 25 TYR QB 1 25 TYR QD 3.000 . 3.000 2.186 2.163 2.204 . 0 0 "[ . 1 ]" 1
260 1 25 TYR QB 1 25 TYR QE 4.000 . 4.000 4.021 4.003 4.040 0.040 2 0 "[ . 1 ]" 1
261 1 25 TYR QB 1 26 LEU H 4.000 . 4.000 2.621 2.354 3.024 . 0 0 "[ . 1 ]" 1
262 1 25 TYR QD 1 26 LEU H 4.000 . 4.000 3.640 3.108 4.187 0.187 8 0 "[ . 1 ]" 1
263 1 25 TYR QD 1 26 LEU QB 5.000 . 5.000 5.111 4.835 5.375 0.375 6 0 "[ . 1 ]" 1
264 1 26 LEU H 1 26 LEU MD1 4.000 . 4.000 3.992 3.217 4.272 0.272 4 0 "[ . 1 ]" 1
265 1 26 LEU H 1 26 LEU MD2 5.000 . 5.000 2.791 1.488 3.686 0.312 1 0 "[ . 1 ]" 1
266 1 26 LEU H 1 26 LEU HG 3.000 . 3.000 2.875 1.869 3.276 0.276 2 0 "[ . 1 ]" 1
267 1 26 LEU H 1 27 CYS H 5.000 . 5.000 3.991 2.048 4.520 . 0 0 "[ . 1 ]" 1
268 1 26 LEU HA 1 26 LEU MD2 4.000 . 4.000 3.942 3.393 4.175 0.175 6 0 "[ . 1 ]" 1
269 1 26 LEU HA 1 26 LEU HG 4.000 . 4.000 3.612 3.537 3.782 . 0 0 "[ . 1 ]" 1
270 1 26 LEU HA 1 27 CYS H 3.000 . 3.000 2.939 2.605 3.163 0.163 3 0 "[ . 1 ]" 1
271 1 26 LEU QB 1 26 LEU MD1 3.000 . 3.000 2.093 1.923 2.215 . 0 0 "[ . 1 ]" 1
272 1 26 LEU QB 1 27 CYS H . . 4.000 2.751 1.950 3.529 . 0 0 "[ . 1 ]" 1
273 1 26 LEU MD1 1 27 CYS H 5.000 . 5.000 2.293 1.532 3.988 0.268 7 0 "[ . 1 ]" 1
274 1 26 LEU MD2 1 27 CYS H 4.000 . 4.000 3.831 3.061 4.315 0.315 6 0 "[ . 1 ]" 1
275 1 26 LEU MD2 1 27 CYS HA 5.000 . 5.000 4.301 1.857 5.456 0.456 7 0 "[ . 1 ]" 1
276 1 26 LEU HG 1 27 CYS H 3.000 . 3.000 2.763 2.306 3.028 0.028 7 0 "[ . 1 ]" 1
277 1 27 CYS H 1 27 CYS HB2 3.000 . 3.000 2.917 2.724 3.141 0.141 8 0 "[ . 1 ]" 1
278 1 27 CYS H 1 27 CYS HB3 4.000 . 4.000 3.937 3.831 4.017 0.017 3 0 "[ . 1 ]" 1
279 1 27 CYS HA 1 27 CYS HB2 3.000 . 3.000 3.009 2.987 3.025 0.025 9 0 "[ . 1 ]" 1
280 1 27 CYS HA 1 27 CYS HB3 3.000 . 3.000 2.584 2.429 2.719 . 0 0 "[ . 1 ]" 1
281 1 27 CYS HA 1 28 VAL H 3.000 . 3.000 2.207 1.955 2.645 . 0 0 "[ . 1 ]" 1
282 1 27 CYS HA 1 28 VAL QG 5.000 . 5.000 2.984 2.562 3.262 . 0 0 "[ . 1 ]" 1
283 1 27 CYS HA 1 41 HIS HA 5.000 . 5.000 4.970 4.488 5.073 0.073 4 0 "[ . 1 ]" 1
284 1 27 CYS HB2 1 28 VAL H 4.000 . 4.000 4.021 3.837 4.101 0.101 2 0 "[ . 1 ]" 1
285 1 27 CYS HB2 1 41 HIS HA 3.000 . 3.000 2.284 1.991 2.913 . 0 0 "[ . 1 ]" 1
286 1 27 CYS HB3 1 28 VAL H 4.000 . 4.000 2.858 2.427 3.046 . 0 0 "[ . 1 ]" 1
287 1 28 VAL H 1 28 VAL HA 3.000 . 3.000 2.866 2.800 2.929 . 0 0 "[ . 1 ]" 1
288 1 28 VAL H 1 28 VAL HB 4.000 . 4.000 2.996 2.265 3.545 . 0 0 "[ . 1 ]" 1
289 1 28 VAL H 1 28 VAL QG 4.000 . 4.000 1.935 1.593 2.440 0.207 5 0 "[ . 1 ]" 1
290 1 28 VAL HA 1 29 CYS H 3.000 . 3.000 2.679 2.229 3.241 0.241 3 0 "[ . 1 ]" 1
291 1 28 VAL HB 1 29 CYS H 3.000 . 3.000 3.081 3.008 3.158 0.158 1 0 "[ . 1 ]" 1
292 1 28 VAL QG 1 29 CYS H 4.000 . 4.000 2.978 1.582 3.447 0.218 6 0 "[ . 1 ]" 1
293 1 29 CYS H 1 29 CYS HA 3.000 . 3.000 2.820 2.614 2.944 . 0 0 "[ . 1 ]" 1
294 1 29 CYS H 1 29 CYS HB2 3.000 . 3.000 2.271 2.074 2.452 . 0 0 "[ . 1 ]" 1
295 1 29 CYS H 1 29 CYS HB3 4.000 . 4.000 3.538 3.411 3.682 . 0 0 "[ . 1 ]" 1
296 1 29 CYS H 1 30 ALA H 5.000 . 5.000 3.577 1.876 4.165 . 0 0 "[ . 1 ]" 1
297 1 29 CYS HA 1 29 CYS HB3 3.000 . 3.000 2.683 2.439 2.875 . 0 0 "[ . 1 ]" 1
298 1 29 CYS HA 1 30 ALA H 3.000 . 3.000 2.602 2.094 3.190 0.190 6 0 "[ . 1 ]" 1
299 1 29 CYS HA 1 33 PHE QD 5.000 . 5.000 5.268 3.704 6.128 1.128 3 6 "[*-+ . * 1**]" 1
300 1 29 CYS HB2 1 30 ALA H 3.000 . 3.000 2.888 2.234 3.134 0.134 12 0 "[ . 1 ]" 1
301 1 29 CYS HB2 1 33 PHE QD 5.000 . 5.000 4.855 3.980 5.887 0.887 10 2 "[ - + ]" 1
302 1 29 CYS HB3 1 30 ALA H 3.000 . 3.000 2.094 1.719 3.050 0.081 11 0 "[ . 1 ]" 1
303 1 29 CYS HB3 1 33 PHE H 4.000 . 4.000 4.014 3.674 4.097 0.097 11 0 "[ . 1 ]" 1
304 1 29 CYS HB3 1 33 PHE QD 4.000 . 4.000 3.823 2.932 4.462 0.462 10 0 "[ . 1 ]" 1
305 1 30 ALA H 1 30 ALA HA 3.000 . 3.000 2.650 2.405 2.751 . 0 0 "[ . 1 ]" 1
306 1 30 ALA H 1 30 ALA MB 3.000 . 3.000 2.402 2.145 2.778 . 0 0 "[ . 1 ]" 1
307 1 30 ALA H 1 31 GLU H 5.000 . 5.000 4.078 3.456 4.440 . 0 0 "[ . 1 ]" 1
308 1 30 ALA H 1 33 PHE HB2 4.000 . 4.000 3.095 2.381 4.067 0.067 5 0 "[ . 1 ]" 1
309 1 30 ALA HA 1 31 GLU H 3.000 . 3.000 2.543 2.125 3.040 0.040 2 0 "[ . 1 ]" 1
310 1 30 ALA MB 1 31 GLU H 4.000 . 4.000 3.662 3.131 3.860 . 0 0 "[ . 1 ]" 1
311 1 30 ALA MB 1 33 PHE QD 4.000 . 4.000 2.991 2.185 4.378 0.378 8 0 "[ . 1 ]" 1
312 1 30 ALA MB 1 33 PHE QE 5.000 . 5.000 3.949 2.126 5.318 0.318 8 0 "[ . 1 ]" 1
313 1 31 GLU H 1 31 GLU HA 3.000 . 3.000 2.598 2.553 2.623 . 0 0 "[ . 1 ]" 1
314 1 31 GLU H 1 31 GLU HB2 3.000 . 3.000 2.466 1.895 3.102 0.102 7 0 "[ . 1 ]" 1
315 1 31 GLU H 1 31 GLU HB3 3.000 . 3.000 2.591 1.878 3.065 0.065 6 0 "[ . 1 ]" 1
316 1 31 GLU H 1 31 GLU QG 4.000 . 4.000 3.642 3.575 3.698 . 0 0 "[ . 1 ]" 1
317 1 31 GLU H 1 32 GLY H 5.000 . 5.000 4.360 2.793 4.822 . 0 0 "[ . 1 ]" 1
318 1 31 GLU HA 1 31 GLU HB2 3.000 . 3.000 2.504 2.215 2.785 . 0 0 "[ . 1 ]" 1
319 1 31 GLU HA 1 31 GLU HB3 3.000 . 3.000 2.922 2.748 3.014 0.014 12 0 "[ . 1 ]" 1
320 1 31 GLU HA 1 32 GLY H 3.000 . 3.000 2.727 2.370 3.170 0.170 10 0 "[ . 1 ]" 1
321 1 31 GLU HA 1 33 PHE H 3.000 . 3.000 2.557 2.039 3.036 0.036 4 0 "[ . 1 ]" 1
322 1 31 GLU HB2 1 32 GLY H 4.000 . 4.000 3.639 2.849 4.066 0.066 10 0 "[ . 1 ]" 1
323 1 31 GLU HB3 1 32 GLY H 4.000 . 4.000 3.412 2.392 4.018 0.018 7 0 "[ . 1 ]" 1
324 1 31 GLU QG 1 32 GLY H 4.000 . 4.000 2.216 1.614 4.450 0.450 1 0 "[ . 1 ]" 1
325 1 32 GLY H 1 33 PHE H 3.000 . 3.000 2.621 2.161 3.016 0.016 4 0 "[ . 1 ]" 1
326 1 32 GLY QA 1 33 PHE H 3.000 . 3.000 2.781 2.384 2.902 . 0 0 "[ . 1 ]" 1
327 1 32 GLY QA 1 33 PHE QD 5.000 . 5.000 3.367 1.984 4.677 . 0 0 "[ . 1 ]" 1
328 1 32 GLY QA 1 46 PHE QD 5.000 . 5.000 4.168 2.055 6.050 1.050 12 2 "[ - . 1 +]" 1
329 1 33 PHE H 1 33 PHE HA 3.000 . 3.000 2.915 2.787 2.987 . 0 0 "[ . 1 ]" 1
330 1 33 PHE H 1 33 PHE HB2 3.000 . 3.000 2.629 1.998 3.018 0.018 9 0 "[ . 1 ]" 1
331 1 33 PHE H 1 33 PHE HB3 4.000 . 4.000 3.660 3.340 3.925 . 0 0 "[ . 1 ]" 1
332 1 33 PHE H 1 33 PHE QD 4.000 . 4.000 3.372 2.026 4.111 0.111 12 0 "[ . 1 ]" 1
333 1 33 PHE H 1 33 PHE QE 5.000 . 5.000 5.548 4.449 6.112 1.112 12 8 "[ ** **** 1-+]" 1
334 1 33 PHE H 1 46 PHE H 4.000 . 4.000 4.001 3.484 4.105 0.105 11 0 "[ . 1 ]" 1
335 1 33 PHE HA 1 33 PHE QD 4.000 . 4.000 2.896 2.087 3.322 . 0 0 "[ . 1 ]" 1
336 1 33 PHE HA 1 33 PHE QE 5.000 . 5.000 4.589 4.269 5.080 0.080 9 0 "[ . 1 ]" 1
337 1 33 PHE HA 1 34 ALA H 3.000 . 3.000 2.182 2.032 2.299 . 0 0 "[ . 1 ]" 1
338 1 33 PHE HA 1 34 ALA MB 5.000 . 5.000 3.821 3.326 4.119 . 0 0 "[ . 1 ]" 1
339 1 33 PHE HA 1 43 CYS HA 4.000 . 4.000 4.027 3.796 4.127 0.127 5 0 "[ . 1 ]" 1
340 1 33 PHE HA 1 43 CYS QB 4.000 . 4.000 2.958 2.072 3.697 . 0 0 "[ . 1 ]" 1
341 1 33 PHE HA 1 45 MET QB 4.000 . 4.000 3.469 2.275 4.066 0.066 4 0 "[ . 1 ]" 1
342 1 33 PHE HA 1 46 PHE H 3.000 . 3.000 1.958 1.746 2.601 0.054 1 0 "[ . 1 ]" 1
343 1 33 PHE HA 1 46 PHE QD 5.000 . 5.000 5.013 4.260 6.041 1.041 12 2 "[ . -1 +]" 1
344 1 33 PHE HB2 1 33 PHE QE 5.000 . 5.000 4.509 4.458 4.594 . 0 0 "[ . 1 ]" 1
345 1 33 PHE HB2 1 34 ALA H 5.000 . 5.000 4.521 4.242 4.692 . 0 0 "[ . 1 ]" 1
346 1 33 PHE HB3 1 34 ALA H 4.000 . 4.000 3.751 3.326 4.011 0.011 12 0 "[ . 1 ]" 1
347 1 33 PHE HB3 1 43 CYS QB 4.000 . 4.000 1.824 1.752 1.929 0.048 10 0 "[ . 1 ]" 1
348 1 33 PHE HB3 1 45 MET HA 4.000 . 4.000 3.804 2.697 4.161 0.161 5 0 "[ . 1 ]" 1
349 1 33 PHE QD 1 43 CYS HA 5.000 . 5.000 4.078 3.458 4.700 . 0 0 "[ . 1 ]" 1
350 1 33 PHE QD 1 43 CYS QB 4.000 . 4.000 2.199 1.945 2.833 . 0 0 "[ . 1 ]" 1
351 1 33 PHE QD 1 44 GLN H 5.000 . 5.000 3.564 2.867 4.413 . 0 0 "[ . 1 ]" 1
352 1 33 PHE QD 1 44 GLN HA 4.000 . 4.000 2.973 2.101 4.164 0.164 8 0 "[ . 1 ]" 1
353 1 33 PHE QD 1 45 MET H 4.000 . 4.000 3.585 2.393 4.613 0.613 4 2 "[ +. - 1 ]" 1
354 1 33 PHE QD 1 45 MET HA 4.000 . 4.000 2.623 1.997 3.009 . 0 0 "[ . 1 ]" 1
355 1 33 PHE QD 1 45 MET QB 5.000 . 5.000 3.330 2.604 4.285 . 0 0 "[ . 1 ]" 1
356 1 33 PHE QD 1 45 MET QG 5.000 . 5.000 4.561 3.631 5.086 0.086 6 0 "[ . 1 ]" 1
357 1 33 PHE QE 1 43 CYS QB 5.000 . 5.000 4.206 3.191 4.708 . 0 0 "[ . 1 ]" 1
358 1 33 PHE QE 1 44 GLN HA 5.000 . 5.000 3.156 2.004 4.491 . 0 0 "[ . 1 ]" 1
359 1 33 PHE QE 1 45 MET H 4.000 . 4.000 2.981 1.712 4.055 0.088 12 0 "[ . 1 ]" 1
360 1 33 PHE QE 1 45 MET HA 5.000 . 5.000 3.491 3.228 3.979 . 0 0 "[ . 1 ]" 1
361 1 33 PHE QE 1 45 MET QB 4.000 . 4.000 3.049 2.070 5.173 1.173 9 2 "[ . +1 -]" 1
362 1 33 PHE QE 1 45 MET ME 5.000 . 5.000 5.369 4.644 5.763 0.763 6 5 "[ ** .+* - ]" 1
363 1 33 PHE QE 1 45 MET QG 4.000 . 4.000 3.830 3.449 4.423 0.423 6 0 "[ . 1 ]" 1
364 1 34 ALA H 1 43 CYS HA 5.000 . 5.000 2.979 1.945 3.890 . 0 0 "[ . 1 ]" 1
365 1 34 ALA H 1 45 MET HA 4.000 . 4.000 3.512 2.627 4.050 0.050 9 0 "[ . 1 ]" 1
366 1 34 ALA H 1 46 PHE H 4.000 . 4.000 2.323 1.798 3.486 0.002 3 0 "[ . 1 ]" 1
367 1 34 ALA H 1 46 PHE QB 4.000 . 4.000 2.354 1.665 3.391 0.135 6 0 "[ . 1 ]" 1
368 1 34 ALA MB 1 35 PRO HD2 4.000 . 4.000 2.375 1.755 3.643 0.045 8 0 "[ . 1 ]" 1
369 1 34 ALA MB 1 35 PRO HD3 4.000 . 4.000 2.738 2.022 3.301 . 0 0 "[ . 1 ]" 1
370 1 34 ALA MB 1 46 PHE QB 4.000 . 4.000 2.109 1.686 2.959 0.114 12 0 "[ . 1 ]" 1
371 1 34 ALA MB 1 46 PHE QD 5.000 . 5.000 3.075 2.303 3.837 . 0 0 "[ . 1 ]" 1
372 1 34 ALA MB 1 46 PHE QE 5.000 . 5.000 4.531 3.369 5.428 0.428 9 0 "[ . 1 ]" 1
373 1 35 PRO HA 1 36 ILE H 3.000 . 3.000 2.423 2.151 2.792 . 0 0 "[ . 1 ]" 1
374 1 35 PRO QB 1 36 ILE H 4.000 . 4.000 3.801 3.134 4.100 0.100 2 0 "[ . 1 ]" 1
375 1 35 PRO QG 1 40 PRO HA 4.000 . 4.000 4.024 3.189 4.569 0.569 6 2 "[ .+ - ]" 1
376 1 36 ILE H 1 36 ILE HB 3.000 . 3.000 2.522 2.259 2.808 . 0 0 "[ . 1 ]" 1
377 1 36 ILE H 1 36 ILE QG 4.000 . 4.000 4.008 3.891 4.153 0.153 10 0 "[ . 1 ]" 1
378 1 36 ILE H 1 42 ARG QB 4.000 . 4.000 3.599 3.324 3.985 . 0 0 "[ . 1 ]" 1
379 1 36 ILE H 1 43 CYS H 5.000 . 5.000 4.887 4.156 5.112 0.112 2 0 "[ . 1 ]" 1
380 1 36 ILE H 1 43 CYS HA 4.000 . 4.000 2.929 2.145 3.678 . 0 0 "[ . 1 ]" 1
381 1 36 ILE H 1 44 GLN H 4.000 . 4.000 2.769 2.106 4.028 0.028 8 0 "[ . 1 ]" 1
382 1 36 ILE H 1 44 GLN QB 4.000 . 4.000 3.662 3.436 3.903 . 0 0 "[ . 1 ]" 1
383 1 36 ILE H 1 46 PHE HA 4.000 . 4.000 4.053 4.021 4.110 0.110 10 0 "[ . 1 ]" 1
384 1 36 ILE HA 1 36 ILE MD 4.000 . 4.000 3.797 3.633 3.873 . 0 0 "[ . 1 ]" 1
385 1 36 ILE MD 1 37 PRO QB 4.000 . 4.000 2.785 1.720 3.551 0.080 11 0 "[ . 1 ]" 1
386 1 36 ILE MD 1 38 HIS HD2 5.000 . 5.000 2.788 1.846 4.568 . 0 0 "[ . 1 ]" 1
387 1 36 ILE MD 1 38 HIS HE1 5.000 . 5.000 4.206 1.822 4.676 . 0 0 "[ . 1 ]" 1
388 1 36 ILE MD 1 39 GLU H 4.000 . 4.000 3.647 3.456 3.740 . 0 0 "[ . 1 ]" 1
389 1 36 ILE MD 1 42 ARG QB 4.000 . 4.000 3.080 2.419 3.523 . 0 0 "[ . 1 ]" 1
390 1 36 ILE MD 1 44 GLN QB 4.000 . 4.000 2.940 2.361 3.223 . 0 0 "[ . 1 ]" 1
391 1 36 ILE QG 1 36 ILE MG 3.000 . 3.000 2.665 2.570 2.702 . 0 0 "[ . 1 ]" 1
392 1 36 ILE QG 1 37 PRO QB 4.000 . 4.000 2.920 2.456 3.373 . 0 0 "[ . 1 ]" 1
393 1 36 ILE QG 1 44 GLN H 5.000 . 5.000 4.821 4.189 5.346 0.346 11 0 "[ . 1 ]" 1
394 1 36 ILE MG 1 42 ARG H 5.000 . 5.000 4.055 3.199 4.756 . 0 0 "[ . 1 ]" 1
395 1 36 ILE MG 1 42 ARG QB 4.000 . 4.000 1.710 1.607 1.940 0.193 9 0 "[ . 1 ]" 1
396 1 36 ILE MG 1 42 ARG HD2 4.000 . 4.000 3.263 2.031 3.768 . 0 0 "[ . 1 ]" 1
397 1 36 ILE MG 1 42 ARG HD3 5.000 . 5.000 2.720 2.286 3.637 . 0 0 "[ . 1 ]" 1
398 1 36 ILE MG 1 43 CYS H 5.000 . 5.000 3.525 2.974 4.076 . 0 0 "[ . 1 ]" 1
399 1 36 ILE MG 1 44 GLN H 4.000 . 4.000 2.766 2.051 3.407 . 0 0 "[ . 1 ]" 1
400 1 36 ILE MG 1 44 GLN HA 5.000 . 5.000 4.106 3.536 4.500 . 0 0 "[ . 1 ]" 1
401 1 36 ILE MG 1 44 GLN QB 4.000 . 4.000 2.146 1.793 2.645 0.007 10 0 "[ . 1 ]" 1
402 1 36 ILE MG 1 44 GLN HE21 5.000 . 5.000 3.477 2.099 4.175 . 0 0 "[ . 1 ]" 1
403 1 36 ILE MG 1 44 GLN HE22 5.000 . 5.000 3.705 2.873 4.355 . 0 0 "[ . 1 ]" 1
404 1 36 ILE MG 1 44 GLN QG 5.000 . 5.000 3.893 3.316 4.547 . 0 0 "[ . 1 ]" 1
405 1 37 PRO QB 1 38 HIS HD2 4.000 . 4.000 3.202 2.437 3.953 . 0 0 "[ . 1 ]" 1
406 1 38 HIS HA 1 39 GLU H 3.000 . 3.000 3.217 3.165 3.284 0.284 11 0 "[ . 1 ]" 1
407 1 38 HIS HB2 1 38 HIS HD2 4.000 . 4.000 3.581 2.727 3.931 . 0 0 "[ . 1 ]" 1
408 1 38 HIS HB2 1 39 GLU H 3.000 . 3.000 2.210 1.833 3.069 0.069 5 0 "[ . 1 ]" 1
409 1 38 HIS HB2 1 39 GLU HA 4.000 . 4.000 3.007 2.809 3.062 . 0 0 "[ . 1 ]" 1
410 1 38 HIS HD2 1 39 GLU QG 4.000 . 4.000 3.631 2.998 3.908 . 0 0 "[ . 1 ]" 1
411 1 39 GLU H 1 39 GLU HA 3.000 . 3.000 2.721 2.511 2.961 . 0 0 "[ . 1 ]" 1
412 1 39 GLU H 1 39 GLU HB2 3.000 . 3.000 2.887 2.359 3.609 0.609 8 1 "[ . + 1 ]" 1
413 1 39 GLU H 1 39 GLU HB3 4.000 . 4.000 3.647 3.052 3.781 . 0 0 "[ . 1 ]" 1
414 1 39 GLU H 1 39 GLU QG 4.000 . 4.000 2.117 1.778 3.590 0.022 10 0 "[ . 1 ]" 1
415 1 39 GLU H 1 40 PRO QD 4.000 . 4.000 4.117 3.380 4.567 0.567 10 1 "[ . + ]" 1
416 1 39 GLU HA 1 39 GLU HB2 3.000 . 3.000 3.007 2.816 3.043 0.043 9 0 "[ . 1 ]" 1
417 1 39 GLU HA 1 40 PRO QG 5.000 . 5.000 3.986 3.848 4.532 . 0 0 "[ . 1 ]" 1
418 1 39 GLU HA 1 41 HIS HE1 5.000 . 5.000 4.833 4.577 5.008 0.008 2 0 "[ . 1 ]" 1
419 1 39 GLU HB2 1 41 HIS H 4.000 . 4.000 3.101 2.408 4.026 0.026 11 0 "[ . 1 ]" 1
420 1 39 GLU HB2 1 41 HIS HE1 4.000 . 4.000 2.452 1.959 3.102 . 0 0 "[ . 1 ]" 1
421 1 39 GLU HB2 1 42 ARG HD3 4.000 . 4.000 3.323 2.553 4.002 0.002 11 0 "[ . 1 ]" 1
422 1 39 GLU HB3 1 41 HIS H 4.000 . 4.000 3.508 2.712 4.147 0.147 6 0 "[ . 1 ]" 1
423 1 39 GLU HB3 1 41 HIS HE1 4.000 . 4.000 2.782 2.151 3.673 . 0 0 "[ . 1 ]" 1
424 1 39 GLU QG 1 41 HIS HE1 4.000 . 4.000 2.828 1.952 3.599 . 0 0 "[ . 1 ]" 1
425 1 40 PRO HA 1 41 HIS H 3.000 . 3.000 2.824 2.414 3.020 0.020 9 0 "[ . 1 ]" 1
426 1 40 PRO QB 1 41 HIS H 4.000 . 4.000 4.020 3.612 4.130 0.130 11 0 "[ . 1 ]" 1
427 1 40 PRO QD 1 41 HIS H 5.000 . 5.000 4.186 3.705 4.859 . 0 0 "[ . 1 ]" 1
428 1 40 PRO QG 1 41 HIS H 5.000 . 5.000 4.945 4.671 5.142 0.142 11 0 "[ . 1 ]" 1
429 1 41 HIS H 1 41 HIS HA 3.000 . 3.000 2.906 2.804 2.971 . 0 0 "[ . 1 ]" 1
430 1 41 HIS H 1 41 HIS HB2 4.000 . 4.000 3.828 3.573 4.017 0.017 10 0 "[ . 1 ]" 1
431 1 41 HIS H 1 41 HIS HB3 4.000 . 4.000 3.476 2.991 3.790 . 0 0 "[ . 1 ]" 1
432 1 41 HIS H 1 42 ARG H 3.000 . 3.000 2.291 1.771 3.038 0.038 2 0 "[ . 1 ]" 1
433 1 41 HIS H 1 42 ARG QG 5.000 . 5.000 2.769 1.542 4.324 0.258 6 0 "[ . 1 ]" 1
434 1 41 HIS HA 1 41 HIS HB2 3.000 . 3.000 2.574 2.472 2.650 . 0 0 "[ . 1 ]" 1
435 1 41 HIS HA 1 41 HIS HB3 3.000 . 3.000 2.407 2.315 2.504 . 0 0 "[ . 1 ]" 1
436 1 41 HIS HA 1 42 ARG H 3.000 . 3.000 3.128 2.832 3.213 0.213 4 0 "[ . 1 ]" 1
437 1 41 HIS HB2 1 41 HIS HD2 4.000 . 4.000 2.687 2.570 3.577 . 0 0 "[ . 1 ]" 1
438 1 41 HIS HB2 1 42 ARG H 4.000 . 4.000 3.442 1.851 4.232 0.232 10 0 "[ . 1 ]" 1
439 1 41 HIS HB3 1 41 HIS HD2 4.000 . 4.000 3.522 2.354 3.862 . 0 0 "[ . 1 ]" 1
440 1 41 HIS HB3 1 42 ARG H 5.000 . 5.000 4.060 3.083 4.907 . 0 0 "[ . 1 ]" 1
441 1 41 HIS HD2 1 42 ARG QG 4.000 . 4.000 3.374 2.289 4.092 0.092 2 0 "[ . 1 ]" 1
442 1 41 HIS HE1 1 42 ARG HD2 5.000 . 5.000 3.617 2.385 5.030 0.030 6 0 "[ . 1 ]" 1
443 1 41 HIS HE1 1 42 ARG HD3 5.000 . 5.000 4.377 3.583 4.945 . 0 0 "[ . 1 ]" 1
444 1 41 HIS HE1 1 42 ARG QG 5.000 . 5.000 3.275 2.613 3.943 . 0 0 "[ . 1 ]" 1
445 1 42 ARG H 1 42 ARG HA 3.000 . 3.000 2.728 2.274 2.970 . 0 0 "[ . 1 ]" 1
446 1 42 ARG H 1 42 ARG QG 4.000 . 4.000 2.866 1.966 3.628 . 0 0 "[ . 1 ]" 1
447 1 42 ARG HA 1 43 CYS H 3.000 . 3.000 2.701 2.149 3.264 0.264 6 0 "[ . 1 ]" 1
448 1 42 ARG QB 1 42 ARG HD3 3.000 . 3.000 2.458 1.969 3.193 0.193 2 0 "[ . 1 ]" 1
449 1 42 ARG QB 1 43 CYS H 3.000 . 3.000 2.396 1.962 2.758 . 0 0 "[ . 1 ]" 1
450 1 42 ARG QG 1 43 CYS H 4.000 . 4.000 3.469 3.142 3.667 . 0 0 "[ . 1 ]" 1
451 1 43 CYS H 1 43 CYS QB 3.000 . 3.000 2.870 2.372 2.982 . 0 0 "[ . 1 ]" 1
452 1 43 CYS H 1 44 GLN H 5.000 . 5.000 4.081 2.002 4.629 . 0 0 "[ . 1 ]" 1
453 1 43 CYS HA 1 44 GLN H 3.000 . 3.000 2.317 1.994 3.217 0.217 11 0 "[ . 1 ]" 1
454 1 43 CYS QB 1 44 GLN H 4.000 . 4.000 2.965 1.884 3.458 . 0 0 "[ . 1 ]" 1
455 1 43 CYS QB 1 44 GLN HA 4.000 . 4.000 3.592 2.723 4.026 0.026 5 0 "[ . 1 ]" 1
456 1 44 GLN H 1 44 GLN HA 3.000 . 3.000 2.773 2.384 2.903 . 0 0 "[ . 1 ]" 1
457 1 44 GLN H 1 44 GLN QG 4.000 . 4.000 4.113 3.463 4.302 0.302 6 0 "[ . 1 ]" 1
458 1 44 GLN HA 1 44 GLN QG 4.000 . 4.000 2.313 1.975 2.655 . 0 0 "[ . 1 ]" 1
459 1 44 GLN HA 1 45 MET H 3.000 . 3.000 2.362 2.103 2.791 . 0 0 "[ . 1 ]" 1
460 1 44 GLN QB 1 45 MET H 4.000 . 4.000 3.745 3.438 3.896 . 0 0 "[ . 1 ]" 1
461 1 44 GLN QG 1 45 MET H 4.000 . 4.000 3.208 2.212 4.112 0.112 3 0 "[ . 1 ]" 1
462 1 45 MET H 1 45 MET QB 3.000 . 3.000 2.603 2.141 3.217 0.217 12 0 "[ . 1 ]" 1
463 1 45 MET HA 1 45 MET QG 4.000 . 4.000 3.330 2.567 3.549 . 0 0 "[ . 1 ]" 1
464 1 45 MET HA 1 46 PHE H 3.000 . 3.000 2.456 2.084 2.998 . 0 0 "[ . 1 ]" 1
465 1 45 MET QB 1 46 PHE H 4.000 . 4.000 2.946 2.346 3.823 . 0 0 "[ . 1 ]" 1
466 1 45 MET QB 1 65 GLU QG 4.000 . 4.000 4.495 3.755 4.792 0.792 7 7 "[**- **+ *1 ]" 1
467 1 45 MET ME 1 47 CYS HA 4.000 . 4.000 3.603 3.432 3.785 . 0 0 "[ . 1 ]" 1
468 1 45 MET ME 1 52 CYS QB 5.000 . 5.000 3.640 2.922 4.124 . 0 0 "[ . 1 ]" 1
469 1 45 MET ME 1 66 CYS HB2 4.000 . 4.000 3.522 3.325 3.742 . 0 0 "[ . 1 ]" 1
470 1 45 MET ME 1 77 ILE QG 4.000 . 4.000 3.340 2.343 3.747 . 0 0 "[ . 1 ]" 1
471 1 45 MET ME 1 78 CYS QB 5.000 . 5.000 2.967 1.730 4.653 0.070 1 0 "[ . 1 ]" 1
472 1 45 MET QG 1 66 CYS HB2 4.000 . 4.000 3.581 2.149 4.251 0.251 8 0 "[ . 1 ]" 1
473 1 45 MET QG 1 78 CYS HA 4.000 . 4.000 4.063 3.291 4.526 0.526 8 1 "[ . + 1 ]" 1
474 1 46 PHE H 1 46 PHE HA 3.000 . 3.000 2.754 2.489 2.977 . 0 0 "[ . 1 ]" 1
475 1 46 PHE H 1 46 PHE QB 3.000 . 3.000 2.190 1.838 2.642 . 0 0 "[ . 1 ]" 1
476 1 46 PHE HA 1 47 CYS H 3.000 . 3.000 2.551 2.130 3.212 0.212 10 0 "[ . 1 ]" 1
477 1 46 PHE QB 1 46 PHE QE 4.000 . 4.000 4.020 3.995 4.044 0.044 4 0 "[ . 1 ]" 1
478 1 47 CYS H 1 47 CYS HA 3.000 . 3.000 2.834 2.449 2.967 . 0 0 "[ . 1 ]" 1
479 1 47 CYS H 1 47 CYS QB 3.000 . 3.000 2.565 2.189 3.032 0.032 2 0 "[ . 1 ]" 1
480 1 47 CYS QB 1 52 CYS QB 4.000 . 4.000 3.122 1.935 4.050 0.050 9 0 "[ . 1 ]" 1
481 1 47 CYS QB 1 78 CYS H 5.000 . 5.000 4.964 4.400 5.412 0.412 10 0 "[ . 1 ]" 1
482 1 48 ASN H 1 48 ASN HA 3.000 . 3.000 2.730 2.277 2.967 . 0 0 "[ . 1 ]" 1
483 1 48 ASN H 1 48 ASN QB 3.000 . 3.000 2.878 2.243 3.494 0.494 6 0 "[ . 1 ]" 1
484 1 48 ASN QB 1 49 GLN H 4.000 . 4.000 3.420 1.851 4.227 0.227 2 0 "[ . 1 ]" 1
485 1 49 GLN H 1 49 GLN QG 4.000 . 4.000 3.230 1.857 4.239 0.239 6 0 "[ . 1 ]" 1
486 1 49 GLN HA 1 49 GLN QG 4.000 . 4.000 2.926 2.247 3.468 . 0 0 "[ . 1 ]" 1
487 1 49 GLN QB 1 51 ALA H 5.000 . 5.000 4.168 1.767 5.266 0.266 12 0 "[ . 1 ]" 1
488 1 49 GLN QG 1 51 ALA H 4.000 . 4.000 3.823 1.633 4.520 0.520 8 1 "[ . + 1 ]" 1
489 1 50 THR H 1 50 THR HA 3.000 . 3.000 2.746 2.275 2.962 . 0 0 "[ . 1 ]" 1
490 1 50 THR H 1 50 THR MG 4.000 . 4.000 3.052 1.920 3.805 . 0 0 "[ . 1 ]" 1
491 1 50 THR HA 1 51 ALA H 4.000 . 4.000 3.137 2.369 3.780 . 0 0 "[ . 1 ]" 1
492 1 51 ALA H 1 52 CYS H 5.000 . 5.000 4.542 3.932 5.000 . 0 0 "[ . 1 ]" 1
493 1 51 ALA HA 1 52 CYS H 3.000 . 3.000 2.726 2.080 3.074 0.074 6 0 "[ . 1 ]" 1
494 1 51 ALA MB 1 52 CYS H 4.000 . 4.000 2.541 1.628 3.860 0.172 10 0 "[ . 1 ]" 1
495 1 51 ALA MB 1 80 ASP H 5.000 . 5.000 4.853 4.705 5.021 0.021 8 0 "[ . 1 ]" 1
496 1 52 CYS H 1 52 CYS HA 3.000 . 3.000 2.870 2.724 2.929 . 0 0 "[ . 1 ]" 1
497 1 52 CYS H 1 80 ASP H 4.000 . 4.000 3.735 2.488 4.077 0.077 2 0 "[ . 1 ]" 1
498 1 52 CYS QB 1 80 ASP QB 3.000 . 3.000 2.294 1.929 2.934 . 0 0 "[ . 1 ]" 1
499 1 53 PRO HA 1 54 ALA H 3.000 . 3.000 2.400 1.896 3.241 0.241 10 0 "[ . 1 ]" 1
500 1 53 PRO HA 1 77 ILE QG 4.000 . 4.000 2.742 1.970 4.143 0.143 8 0 "[ . 1 ]" 1
501 1 53 PRO QB 1 54 ALA H 4.000 . 4.000 3.137 2.479 3.975 . 0 0 "[ . 1 ]" 1
502 1 53 PRO QG 1 54 ALA H 4.000 . 4.000 4.491 3.926 4.666 0.666 12 10 "[*****-** 1*+]" 1
503 1 53 PRO QG 1 80 ASP HA 4.000 . 4.000 4.276 4.093 4.427 0.427 1 0 "[ . 1 ]" 1
504 1 54 ALA H 1 54 ALA HA 3.000 . 3.000 2.547 2.355 2.679 . 0 0 "[ . 1 ]" 1
505 1 54 ALA H 1 54 ALA MB 3.000 . 3.000 2.317 2.051 2.740 . 0 0 "[ . 1 ]" 1
506 1 54 ALA H 1 77 ILE MG 4.000 . 4.000 3.737 3.423 3.962 . 0 0 "[ . 1 ]" 1
507 1 54 ALA HA 1 55 ASP H 3.000 . 3.000 2.761 1.872 3.070 0.070 6 0 "[ . 1 ]" 1
508 1 54 ALA MB 1 55 ASP H 3.000 . 3.000 2.269 1.717 3.032 0.083 5 0 "[ . 1 ]" 1
509 1 54 ALA MB 1 55 ASP HB3 5.000 . 5.000 3.937 3.190 4.663 . 0 0 "[ . 1 ]" 1
510 1 54 ALA MB 1 64 CYS QB 5.000 . 5.000 3.910 2.561 4.718 . 0 0 "[ . 1 ]" 1
511 1 54 ALA MB 1 75 GLY HA3 4.000 . 4.000 3.098 2.087 4.855 0.855 12 1 "[ . 1 +]" 1
512 1 54 ALA MB 1 76 PHE QB 5.000 . 5.000 2.949 1.908 4.896 . 0 0 "[ . 1 ]" 1
513 1 55 ASP H 1 55 ASP HA 3.000 . 3.000 2.531 2.194 2.935 . 0 0 "[ . 1 ]" 1
514 1 55 ASP H 1 55 ASP HB2 3.000 . 3.000 3.017 2.802 3.071 0.071 6 0 "[ . 1 ]" 1
515 1 55 ASP H 1 55 ASP HB3 3.000 . 3.000 3.008 2.675 3.092 0.092 5 0 "[ . 1 ]" 1
516 1 55 ASP H 1 56 CYS H 3.000 . 3.000 2.940 2.318 3.186 0.186 8 0 "[ . 1 ]" 1
517 1 55 ASP HA 1 56 CYS H 3.000 . 3.000 2.893 2.210 3.324 0.324 12 0 "[ . 1 ]" 1
518 1 56 CYS H 1 56 CYS HA 3.000 . 3.000 2.513 2.229 2.595 . 0 0 "[ . 1 ]" 1
519 1 56 CYS H 1 56 CYS HB2 3.000 . 3.000 3.032 2.700 3.213 0.213 8 0 "[ . 1 ]" 1
520 1 56 CYS H 1 56 CYS HB3 3.000 . 3.000 3.112 2.816 3.206 0.206 3 0 "[ . 1 ]" 1
521 1 56 CYS H 1 57 ASP H 5.000 . 5.000 4.408 2.797 4.801 . 0 0 "[ . 1 ]" 1
522 1 56 CYS HA 1 57 ASP H 3.000 . 3.000 2.793 2.319 3.243 0.243 12 0 "[ . 1 ]" 1
523 1 56 CYS HB3 1 57 ASP H 3.000 . 3.000 2.836 2.376 3.745 0.745 7 1 "[ . + 1 ]" 1
524 1 57 ASP H 1 57 ASP HA 3.000 . 3.000 2.710 2.337 2.945 . 0 0 "[ . 1 ]" 1
525 1 57 ASP H 1 57 ASP HB2 3.000 . 3.000 2.663 2.170 3.302 0.302 12 0 "[ . 1 ]" 1
526 1 57 ASP H 1 57 ASP HB3 3.000 . 3.000 2.764 1.920 3.038 0.038 6 0 "[ . 1 ]" 1
527 1 57 ASP H 1 63 SER QB 4.000 . 4.000 3.050 1.755 4.391 0.391 7 0 "[ . 1 ]" 1
528 1 57 ASP HA 1 63 SER QB 4.000 . 4.000 4.321 4.073 4.519 0.519 6 2 "[ .+ - 1 ]" 1
529 1 57 ASP HB2 1 63 SER QB 4.000 . 4.000 3.192 2.200 4.526 0.526 12 2 "[ . -1 +]" 1
530 1 57 ASP HB3 1 60 THR MG 5.000 . 5.000 3.696 2.605 5.507 0.507 5 1 "[ + 1 ]" 1
531 1 57 ASP HB3 1 63 SER QB 4.000 . 4.000 3.598 2.181 4.572 0.572 12 2 "[ -. 1 +]" 1
532 1 58 PRO HA 1 59 ASN H 4.000 . 4.000 3.634 3.508 3.767 . 0 0 "[ . 1 ]" 1
533 1 58 PRO QB 1 59 ASN H 3.000 . 3.000 2.719 2.047 3.516 0.516 7 1 "[ . + 1 ]" 1
534 1 58 PRO QD 1 59 ASN H 4.000 . 4.000 2.848 2.596 3.192 . 0 0 "[ . 1 ]" 1
535 1 59 ASN H 1 59 ASN HA 3.000 . 3.000 2.860 2.757 2.925 . 0 0 "[ . 1 ]" 1
536 1 59 ASN H 1 59 ASN QB 3.000 . 3.000 2.199 1.846 2.776 . 0 0 "[ . 1 ]" 1
537 1 59 ASN H 1 59 ASN HD21 5.000 . 5.000 3.868 2.437 4.107 . 0 0 "[ . 1 ]" 1
538 1 59 ASN H 1 60 THR H 3.000 . 3.000 2.155 1.803 2.538 . 0 0 "[ . 1 ]" 1
539 1 59 ASN HA 1 60 THR H 3.000 . 3.000 3.212 3.121 3.251 0.251 11 0 "[ . 1 ]" 1
540 1 59 ASN QB 1 59 ASN HD21 3.000 . 3.000 2.336 1.939 2.813 . 0 0 "[ . 1 ]" 1
541 1 59 ASN QB 1 60 THR H 3.000 . 3.000 2.269 1.760 2.903 0.040 12 0 "[ . 1 ]" 1
542 1 59 ASN QB 1 60 THR HA 4.000 . 4.000 3.460 2.357 3.909 . 0 0 "[ . 1 ]" 1
543 1 59 ASN QB 1 60 THR MG . . 4.000 2.576 1.911 3.522 . 0 0 "[ . 1 ]" 1
544 1 60 THR H 1 60 THR HA 3.000 . 3.000 2.913 2.643 2.965 . 0 0 "[ . 1 ]" 1
545 1 60 THR H 1 60 THR HB 4.000 . 4.000 3.350 2.519 3.816 . 0 0 "[ . 1 ]" 1
546 1 60 THR H 1 60 THR MG 4.000 . 4.000 2.120 1.825 3.218 . 0 0 "[ . 1 ]" 1
547 1 60 THR H 1 61 GLN H 3.000 . 3.000 2.917 2.291 3.154 0.154 7 0 "[ . 1 ]" 1
548 1 60 THR HA 1 60 THR HB 3.000 . 3.000 2.416 2.261 2.726 . 0 0 "[ . 1 ]" 1
549 1 60 THR HA 1 61 GLN H 3.000 . 3.000 3.079 2.967 3.225 0.225 9 0 "[ . 1 ]" 1
550 1 60 THR MG 1 61 GLN H 5.000 . 5.000 3.468 1.553 4.264 0.247 4 0 "[ . 1 ]" 1
551 1 60 THR MG 1 63 SER QB 5.000 . 5.000 4.065 2.138 4.785 . 0 0 "[ . 1 ]" 1
552 1 61 GLN H 1 61 GLN HA 3.000 . 3.000 2.624 2.303 3.000 . 0 0 "[ . 1 ]" 1
553 1 61 GLN H 1 61 GLN QB 3.000 . 3.000 2.632 2.154 3.292 0.292 12 0 "[ . 1 ]" 1
554 1 61 GLN H 1 61 GLN QG 4.000 . 4.000 3.668 2.511 4.396 0.396 12 0 "[ . 1 ]" 1
555 1 61 GLN HA 1 61 GLN QG 4.000 . 4.000 2.764 1.986 3.615 . 0 0 "[ . 1 ]" 1
556 1 61 GLN HA 1 62 ALA H 3.000 . 3.000 2.822 2.223 3.197 0.197 11 0 "[ . 1 ]" 1
557 1 61 GLN QB 1 62 ALA H 4.000 . 4.000 3.341 1.652 4.174 0.174 10 0 "[ . 1 ]" 1
558 1 61 GLN QG 1 62 ALA HA 4.000 . 4.000 4.291 3.573 4.716 0.716 12 2 "[ . 1-+]" 1
559 1 62 ALA H 1 62 ALA HA 3.000 . 3.000 2.468 2.225 2.649 . 0 0 "[ . 1 ]" 1
560 1 62 ALA H 1 62 ALA MB 3.000 . 3.000 2.456 2.059 2.771 . 0 0 "[ . 1 ]" 1
561 1 62 ALA H 1 63 SER H 4.000 . 4.000 3.786 3.034 4.057 0.057 12 0 "[ . 1 ]" 1
562 1 62 ALA HA 1 63 SER H 3.000 . 3.000 2.701 2.112 3.167 0.167 7 0 "[ . 1 ]" 1
563 1 62 ALA MB 1 63 SER H 4.000 . 4.000 3.183 1.663 3.827 0.137 7 0 "[ . 1 ]" 1
564 1 63 SER H 1 63 SER HA 3.000 . 3.000 2.785 2.412 2.965 . 0 0 "[ . 1 ]" 1
565 1 63 SER H 1 63 SER QB 3.000 . 3.000 2.872 2.264 3.558 0.558 7 1 "[ . + 1 ]" 1
566 1 63 SER H 1 64 CYS H 3.000 . 3.000 2.765 2.021 3.099 0.099 12 0 "[ . 1 ]" 1
567 1 63 SER HA 1 64 CYS H 3.000 . 3.000 2.915 2.379 3.219 0.219 9 0 "[ . 1 ]" 1
568 1 63 SER QB 1 64 CYS H 5.000 . 5.000 3.672 1.733 4.386 0.067 5 0 "[ . 1 ]" 1
569 1 63 SER QB 1 64 CYS HA 4.000 . 4.000 4.101 3.119 4.529 0.529 11 1 "[ . 1+ ]" 1
570 1 64 CYS H 1 64 CYS HA 3.000 . 3.000 2.894 2.711 2.997 . 0 0 "[ . 1 ]" 1
571 1 64 CYS H 1 64 CYS QB 3.000 . 3.000 2.862 2.317 3.135 0.135 8 0 "[ . 1 ]" 1
572 1 64 CYS HA 1 65 GLU H 3.000 . 3.000 2.463 2.111 2.824 . 0 0 "[ . 1 ]" 1
573 1 64 CYS QB 1 65 GLU H 4.000 . 4.000 3.446 2.055 4.162 0.162 2 0 "[ . 1 ]" 1
574 1 64 CYS QB 1 72 LEU QD 4.000 . 4.000 3.244 2.123 3.843 . 0 0 "[ . 1 ]" 1
575 1 65 GLU H 1 65 GLU HA 3.000 . 3.000 2.860 2.731 2.942 . 0 0 "[ . 1 ]" 1
576 1 65 GLU H 1 65 GLU HB2 3.000 . 3.000 2.439 1.982 3.015 0.015 8 0 "[ . 1 ]" 1
577 1 65 GLU H 1 65 GLU HB3 3.000 . 3.000 2.872 2.441 3.217 0.217 9 0 "[ . 1 ]" 1
578 1 65 GLU H 1 65 GLU QG 4.000 . 4.000 3.917 2.280 4.410 0.410 8 0 "[ . 1 ]" 1
579 1 65 GLU H 1 66 CYS H 3.000 . 3.000 2.417 1.786 2.865 0.014 6 0 "[ . 1 ]" 1
580 1 65 GLU HA 1 65 GLU HB2 3.000 . 3.000 2.688 2.422 3.033 0.033 9 0 "[ . 1 ]" 1
581 1 65 GLU HA 1 65 GLU QG 3.000 . 3.000 2.570 2.100 3.071 0.071 7 0 "[ . 1 ]" 1
582 1 65 GLU HA 1 66 CYS H 3.000 . 3.000 3.197 3.064 3.325 0.325 12 0 "[ . 1 ]" 1
583 1 65 GLU HB2 1 66 CYS H 4.000 . 4.000 3.539 1.746 4.105 0.105 10 0 "[ . 1 ]" 1
584 1 65 GLU HB3 1 66 CYS H 4.000 . 4.000 2.887 1.751 3.814 0.049 12 0 "[ . 1 ]" 1
585 1 65 GLU HB3 1 66 CYS HA 4.000 . 4.000 3.354 2.357 4.042 0.042 11 0 "[ . 1 ]" 1
586 1 65 GLU QG 1 66 CYS H 4.000 . 4.000 4.019 2.525 4.546 0.546 11 3 "[ -. *+ ]" 1
587 1 66 CYS H 1 66 CYS HA 3.000 . 3.000 2.715 2.664 2.785 . 0 0 "[ . 1 ]" 1
588 1 66 CYS H 1 66 CYS HB2 3.000 . 3.000 2.892 1.904 3.075 0.075 10 0 "[ . 1 ]" 1
589 1 66 CYS H 1 66 CYS HB3 4.000 . 4.000 3.191 3.145 3.266 . 0 0 "[ . 1 ]" 1
590 1 66 CYS HA 1 66 CYS HB3 3.000 . 3.000 2.322 2.244 2.875 . 0 0 "[ . 1 ]" 1
591 1 66 CYS HB2 1 70 TYR H 4.000 . 4.000 4.059 3.954 4.177 0.177 12 0 "[ . 1 ]" 1
592 1 67 PRO HA 1 67 PRO HB3 3.000 . 3.000 2.282 2.230 2.308 . 0 0 "[ . 1 ]" 1
593 1 67 PRO HA 1 68 GLU H 3.000 . 3.000 2.821 2.376 3.197 0.197 5 0 "[ . 1 ]" 1
594 1 67 PRO HB2 1 68 GLU H 3.000 . 3.000 2.523 1.751 3.030 0.049 5 0 "[ . 1 ]" 1
595 1 67 PRO QD 1 70 TYR QD 5.000 . 5.000 4.983 3.646 5.981 0.981 4 3 "[ *+.- 1 ]" 1
596 1 67 PRO QD 1 77 ILE MG 5.000 . 5.000 4.202 2.447 4.901 . 0 0 "[ . 1 ]" 1
597 1 67 PRO QG 1 68 GLU QG 5.000 . 5.000 4.624 2.554 5.564 0.564 12 3 "[- *. 1 +]" 1
598 1 68 GLU H 1 68 GLU HA 3.000 . 3.000 2.598 2.335 2.716 . 0 0 "[ . 1 ]" 1
599 1 68 GLU H 1 68 GLU QB 3.000 . 3.000 2.731 2.221 3.360 0.360 7 0 "[ . 1 ]" 1
600 1 68 GLU H 1 68 GLU QG 3.000 . 3.000 2.240 1.612 3.146 0.188 9 0 "[ . 1 ]" 1
601 1 68 GLU H 1 70 TYR H 4.000 . 4.000 3.982 3.587 4.067 0.067 12 0 "[ . 1 ]" 1
602 1 68 GLU HA 1 68 GLU QG 3.000 . 3.000 2.874 2.202 3.444 0.444 8 0 "[ . 1 ]" 1
603 1 68 GLU HA 1 69 GLY H 3.000 . 3.000 2.803 2.151 3.221 0.221 2 0 "[ . 1 ]" 1
604 1 68 GLU QB 1 69 GLY H 4.000 . 4.000 3.445 2.027 4.237 0.237 1 0 "[ . 1 ]" 1
605 1 68 GLU QG 1 69 GLY H 5.000 . 5.000 4.073 1.563 4.980 0.237 8 0 "[ . 1 ]" 1
606 1 69 GLY H 1 69 GLY HA2 3.000 . 3.000 2.682 2.322 3.002 0.002 8 0 "[ . 1 ]" 1
607 1 69 GLY H 1 69 GLY HA3 3.000 . 3.000 2.703 2.319 2.978 . 0 0 "[ . 1 ]" 1
608 1 69 GLY H 1 70 TYR H 4.000 . 4.000 3.093 1.907 4.021 0.021 8 0 "[ . 1 ]" 1
609 1 69 GLY HA2 1 70 TYR H 4.000 . 4.000 3.396 2.359 4.037 0.037 9 0 "[ . 1 ]" 1
610 1 69 GLY HA3 1 70 TYR H 4.000 . 4.000 3.468 2.695 4.012 0.012 8 0 "[ . 1 ]" 1
611 1 70 TYR H 1 70 TYR HA 3.000 . 3.000 2.439 2.267 2.666 . 0 0 "[ . 1 ]" 1
612 1 70 TYR H 1 70 TYR QB 3.000 . 3.000 2.528 2.088 2.884 . 0 0 "[ . 1 ]" 1
613 1 70 TYR QB 1 71 ILE QG 5.000 . 5.000 4.498 2.470 5.583 0.583 6 1 "[ .+ 1 ]" 1
614 1 70 TYR QD 1 71 ILE HB 5.000 . 5.000 4.442 3.072 5.032 0.032 3 0 "[ . 1 ]" 1
615 1 70 TYR QD 1 71 ILE QG 5.000 . 5.000 3.750 1.982 5.750 0.750 10 1 "[ . + ]" 1
616 1 70 TYR QE 1 71 ILE HB 5.000 . 5.000 5.372 4.002 6.163 1.163 4 5 "[* *+- * ]" 1
617 1 71 ILE H 1 71 ILE HB 3.000 . 3.000 2.713 2.039 3.043 0.043 8 0 "[ . 1 ]" 1
618 1 71 ILE HA 1 71 ILE QG 4.000 . 4.000 2.402 1.981 3.214 . 0 0 "[ . 1 ]" 1
619 1 72 LEU H 1 72 LEU HA 3.000 . 3.000 2.434 2.282 2.647 . 0 0 "[ . 1 ]" 1
620 1 72 LEU H 1 72 LEU HB2 3.000 . 3.000 2.658 2.203 3.019 0.019 2 0 "[ . 1 ]" 1
621 1 72 LEU H 1 72 LEU QD 5.000 . 5.000 3.287 2.040 4.016 . 0 0 "[ . 1 ]" 1
622 1 72 LEU H 1 73 ASP H 5.000 . 5.000 4.656 4.423 4.960 . 0 0 "[ . 1 ]" 1
623 1 72 LEU HA 1 72 LEU HB2 3.000 . 3.000 2.677 2.355 3.018 0.018 4 0 "[ . 1 ]" 1
624 1 72 LEU HA 1 72 LEU QD 4.000 . 4.000 2.236 1.812 3.177 . 0 0 "[ . 1 ]" 1
625 1 72 LEU HA 1 73 ASP H 3.000 . 3.000 2.676 2.227 3.061 0.061 6 0 "[ . 1 ]" 1
626 1 72 LEU HA 1 73 ASP QB 4.000 . 4.000 3.214 2.246 3.810 . 0 0 "[ . 1 ]" 1
627 1 72 LEU HB2 1 72 LEU QD 3.000 . 3.000 2.235 1.918 2.628 . 0 0 "[ . 1 ]" 1
628 1 72 LEU HB3 1 72 LEU QD 3.000 . 3.000 2.068 1.915 2.607 . 0 0 "[ . 1 ]" 1
629 1 72 LEU QD 1 73 ASP HA 5.000 . 5.000 3.545 1.939 4.257 . 0 0 "[ . 1 ]" 1
630 1 72 LEU QD 1 76 PHE QB 5.000 . 5.000 3.035 1.653 4.070 0.147 12 0 "[ . 1 ]" 1
631 1 72 LEU QD 1 76 PHE QD 5.000 . 5.000 2.658 1.875 3.332 . 0 0 "[ . 1 ]" 1
632 1 72 LEU QD 1 76 PHE QE 5.000 . 5.000 3.257 2.126 4.474 . 0 0 "[ . 1 ]" 1
633 1 73 ASP H 1 77 ILE MG 4.000 . 4.000 3.035 2.124 3.584 . 0 0 "[ . 1 ]" 1
634 1 73 ASP HA 1 74 ASP H 3.000 . 3.000 2.649 1.888 3.197 0.197 8 0 "[ . 1 ]" 1
635 1 73 ASP QB 1 74 ASP H 3.000 . 3.000 2.914 1.715 3.764 0.764 12 4 "[* * -1 +]" 1
636 1 74 ASP H 1 74 ASP HA 3.000 . 3.000 2.483 2.295 2.718 . 0 0 "[ . 1 ]" 1
637 1 74 ASP H 1 74 ASP QB 3.000 . 3.000 2.684 2.152 3.108 0.108 2 0 "[ . 1 ]" 1
638 1 74 ASP H 1 76 PHE H 5.000 . 5.000 4.839 4.139 5.055 0.055 12 0 "[ . 1 ]" 1
639 1 74 ASP H 1 77 ILE MG 5.000 . 5.000 3.942 3.597 4.097 . 0 0 "[ . 1 ]" 1
640 1 74 ASP HA 1 75 GLY H 3.000 . 3.000 2.864 2.409 3.076 0.076 4 0 "[ . 1 ]" 1
641 1 74 ASP QB 1 75 GLY H 4.000 . 4.000 3.629 1.573 4.326 0.326 4 0 "[ . 1 ]" 1
642 1 75 GLY H 1 75 GLY HA2 3.000 . 3.000 2.711 2.372 2.967 . 0 0 "[ . 1 ]" 1
643 1 75 GLY H 1 75 GLY HA3 3.000 . 3.000 2.695 2.326 2.980 . 0 0 "[ . 1 ]" 1
644 1 75 GLY H 1 76 PHE H 3.000 . 3.000 2.559 1.789 3.018 0.018 5 0 "[ . 1 ]" 1
645 1 75 GLY H 1 77 ILE MG 5.000 . 5.000 4.051 2.015 4.574 . 0 0 "[ . 1 ]" 1
646 1 75 GLY HA2 1 76 PHE H 3.000 . 3.000 2.893 1.842 3.242 0.242 3 0 "[ . 1 ]" 1
647 1 75 GLY HA3 1 76 PHE H 3.000 . 3.000 2.644 1.854 3.259 0.259 11 0 "[ . 1 ]" 1
648 1 76 PHE H 1 76 PHE HA 3.000 . 3.000 2.772 2.472 2.988 . 0 0 "[ . 1 ]" 1
649 1 76 PHE H 1 76 PHE QB 3.000 . 3.000 3.045 2.436 3.488 0.488 8 0 "[ . 1 ]" 1
650 1 76 PHE H 1 77 ILE H 3.000 . 3.000 2.141 1.862 2.850 . 0 0 "[ . 1 ]" 1
651 1 76 PHE H 1 77 ILE HA 3.000 . 3.000 2.878 1.947 3.124 0.124 9 0 "[ . 1 ]" 1
652 1 76 PHE H 1 77 ILE MG 5.000 . 5.000 3.512 2.801 3.845 . 0 0 "[ . 1 ]" 1
653 1 76 PHE HA 1 76 PHE QD 4.000 . 4.000 2.465 2.007 2.982 . 0 0 "[ . 1 ]" 1
654 1 76 PHE HA 1 77 ILE H 3.000 . 3.000 2.776 2.565 3.097 0.097 12 0 "[ . 1 ]" 1
655 1 77 ILE H 1 77 ILE HA 3.000 . 3.000 2.639 2.608 2.680 . 0 0 "[ . 1 ]" 1
656 1 77 ILE H 1 77 ILE HB 3.000 . 3.000 2.653 2.116 3.048 0.048 11 0 "[ . 1 ]" 1
657 1 77 ILE H 1 77 ILE MG 4.000 . 4.000 2.293 1.592 3.742 0.208 5 0 "[ . 1 ]" 1
658 1 77 ILE HA 1 77 ILE QG 3.000 . 3.000 2.629 2.083 2.960 . 0 0 "[ . 1 ]" 1
659 1 77 ILE HA 1 78 CYS H 3.000 . 3.000 2.661 2.256 3.235 0.235 11 0 "[ . 1 ]" 1
660 1 77 ILE HB 1 78 CYS H 4.000 . 4.000 3.248 1.775 4.032 0.032 3 0 "[ . 1 ]" 1
661 1 77 ILE MG 1 78 CYS H 4.000 . 4.000 3.521 2.944 3.910 . 0 0 "[ . 1 ]" 1
662 1 78 CYS H 1 78 CYS QB 3.000 . 3.000 3.066 2.460 3.492 0.492 8 0 "[ . 1 ]" 1
663 1 79 THR HA 1 80 ASP H 3.000 . 3.000 2.612 2.339 3.009 0.009 1 0 "[ . 1 ]" 1
664 1 81 ILE H 1 82 ASP H 4.000 . 4.000 4.471 3.431 4.800 0.800 8 8 "[ * *-**+*1* ]" 1
665 1 81 ILE HA 1 82 ASP H 3.000 . 3.000 2.543 2.134 3.063 0.063 1 0 "[ . 1 ]" 1
666 1 81 ILE MG 1 82 ASP H 5.000 . 5.000 2.665 1.513 4.223 0.287 11 0 "[ . 1 ]" 1
667 1 81 ILE MG 1 82 ASP HB2 5.000 . 5.000 3.802 2.572 5.089 0.089 12 0 "[ . 1 ]" 1
668 1 82 ASP H 1 82 ASP HA 3.000 . 3.000 2.813 2.283 2.940 . 0 0 "[ . 1 ]" 1
669 1 82 ASP H 1 82 ASP HB2 4.000 . 4.000 2.857 2.268 3.620 . 0 0 "[ . 1 ]" 1
670 1 82 ASP H 1 82 ASP HB3 3.000 . 3.000 3.017 2.716 3.849 0.849 3 2 "[ + . -1 ]" 1
671 1 82 ASP H 1 83 GLU H 5.000 . 5.000 3.534 3.046 4.932 . 0 0 "[ . 1 ]" 1
672 1 82 ASP HA 1 83 GLU H 4.000 . 4.000 3.303 2.261 3.777 . 0 0 "[ . 1 ]" 1
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