NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409669 |
1zr9   |
6682 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zr9
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 763
_Distance_constraint_stats_list.Viol_count 1515
_Distance_constraint_stats_list.Viol_total 2630.263
_Distance_constraint_stats_list.Viol_max 0.423
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0868
_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 36 ASP 1.150 0.325 15 0 "[ . 1 . 2]"
1 37 PRO 1.117 0.130 7 0 "[ . 1 . 2]"
1 38 ASN 4.733 0.271 12 0 "[ . 1 . 2]"
1 39 ALA 2.127 0.233 20 0 "[ . 1 . 2]"
1 40 GLU 5.278 0.201 12 0 "[ . 1 . 2]"
1 41 PHE 1.967 0.198 3 0 "[ . 1 . 2]"
1 42 ASP 0.489 0.155 5 0 "[ . 1 . 2]"
1 43 PRO 1.500 0.156 20 0 "[ . 1 . 2]"
1 44 ASP 0.538 0.080 16 0 "[ . 1 . 2]"
1 45 LEU 4.366 0.156 20 0 "[ . 1 . 2]"
1 46 PRO 2.159 0.241 7 0 "[ . 1 . 2]"
1 47 GLY 0.402 0.058 14 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 1.040 0.241 7 0 "[ . 1 . 2]"
1 50 LEU 3.125 0.327 20 0 "[ . 1 . 2]"
1 51 HIS 6.266 0.327 20 0 "[ . 1 . 2]"
1 52 ARG 5.497 0.189 11 0 "[ . 1 . 2]"
1 53 CYS 7.699 0.244 13 0 "[ . 1 . 2]"
1 54 LEU 4.223 0.138 13 0 "[ . 1 . 2]"
1 55 ALA 0.954 0.082 5 0 "[ . 1 . 2]"
1 56 CYS 5.978 0.325 17 0 "[ . 1 . 2]"
1 57 ALA 0.476 0.078 13 0 "[ . 1 . 2]"
1 58 ARG 1.038 0.129 16 0 "[ . 1 . 2]"
1 59 TYR 4.194 0.193 4 0 "[ . 1 . 2]"
1 60 PHE 1.645 0.087 13 0 "[ . 1 . 2]"
1 61 ILE 3.735 0.171 14 0 "[ . 1 . 2]"
1 62 ASP 1.420 0.103 6 0 "[ . 1 . 2]"
1 63 SER 3.306 0.154 9 0 "[ . 1 . 2]"
1 64 THR 3.017 0.248 19 0 "[ . 1 . 2]"
1 65 ASN 5.637 0.196 13 0 "[ . 1 . 2]"
1 66 LEU 16.579 0.312 9 0 "[ . 1 . 2]"
1 67 LYS 5.832 0.270 19 0 "[ . 1 . 2]"
1 68 THR 3.283 0.164 3 0 "[ . 1 . 2]"
1 69 HIS 13.469 0.404 13 0 "[ . 1 . 2]"
1 70 PHE 9.149 0.312 9 0 "[ . 1 . 2]"
1 71 ARG 1.046 0.141 11 0 "[ . 1 . 2]"
1 72 SER 0.013 0.013 14 0 "[ . 1 . 2]"
1 73 LYS 1.741 0.260 19 0 "[ . 1 . 2]"
1 74 ASP 1.787 0.165 17 0 "[ . 1 . 2]"
1 75 HIS 23.082 0.404 13 0 "[ . 1 . 2]"
1 76 LYS 7.926 0.220 2 0 "[ . 1 . 2]"
1 77 LYS 3.170 0.186 17 0 "[ . 1 . 2]"
1 78 ARG 3.783 0.199 11 0 "[ . 1 . 2]"
1 79 LEU 9.382 0.263 8 0 "[ . 1 . 2]"
1 80 LYS 0.857 0.074 4 0 "[ . 1 . 2]"
1 81 GLN 1.676 0.298 3 0 "[ . 1 . 2]"
1 82 LEU 4.030 0.179 16 0 "[ . 1 . 2]"
1 83 SER 0.367 0.118 11 0 "[ . 1 . 2]"
1 84 VAL 1.690 0.172 17 0 "[ . 1 . 2]"
1 85 GLU 0.340 0.076 12 0 "[ . 1 . 2]"
1 86 PRO 0.434 0.135 15 0 "[ . 1 . 2]"
1 87 TYR 1.397 0.240 6 0 "[ . 1 . 2]"
1 88 SER 2.916 0.240 6 0 "[ . 1 . 2]"
1 89 GLN 3.820 0.291 2 0 "[ . 1 . 2]"
1 90 GLU 1.440 0.291 2 0 "[ . 1 . 2]"
1 91 GLU 1.072 0.145 19 0 "[ . 1 . 2]"
1 92 ALA 1.980 0.423 6 0 "[ . 1 . 2]"
1 93 GLU 2.591 0.423 6 0 "[ . 1 . 2]"
1 94 ARG 0.290 0.063 3 0 "[ . 1 . 2]"
1 95 ALA 0.168 0.055 17 0 "[ . 1 . 2]"
1 96 ALA 1.116 0.151 4 0 "[ . 1 . 2]"
1 97 GLY 0.961 0.151 4 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.156 0.068 16 0 "[ . 1 . 2]"
1 100 SER 0.156 0.068 16 0 "[ . 1 . 2]"
1 101 TYR 2.552 0.210 18 0 "[ . 1 . 2]"
1 102 VAL 1.831 0.163 8 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 36 ASP H 1 36 ASP QB 0.000 . 3.140 2.671 2.307 3.465 0.325 15 0 "[ . 1 . 2]" 1
2 1 36 ASP HA 1 37 PRO QG 0.000 . 5.140 3.925 3.750 4.900 . 0 0 "[ . 1 . 2]" 1
3 1 36 ASP QB 1 37 PRO HD2 0.000 . 6.410 3.452 2.164 4.025 . 0 0 "[ . 1 . 2]" 1
4 1 36 ASP QB 1 37 PRO QD 0.000 . 5.470 3.201 2.112 3.640 . 0 0 "[ . 1 . 2]" 1
5 1 36 ASP QB 1 37 PRO HD3 0.000 . 6.410 3.923 2.945 4.517 . 0 0 "[ . 1 . 2]" 1
6 1 36 ASP QB 1 39 ALA MB 0.000 . 5.090 3.712 1.951 5.063 . 0 0 "[ . 1 . 2]" 1
7 1 37 PRO HA 1 38 ASN H 0.000 . 2.400 2.290 2.016 2.530 0.130 7 0 "[ . 1 . 2]" 1
8 1 37 PRO QB 1 38 ASN H 0.000 . 3.390 2.780 2.063 3.287 . 0 0 "[ . 1 . 2]" 1
9 1 37 PRO HB2 1 38 ASN H 0.000 . 3.640 3.166 2.082 3.755 0.115 19 0 "[ . 1 . 2]" 1
10 1 37 PRO HB3 1 38 ASN H 0.000 . 3.640 3.214 2.291 3.722 0.082 9 0 "[ . 1 . 2]" 1
11 1 37 PRO QD 1 38 ASN H 0.000 . 5.000 4.865 4.606 5.019 0.019 17 0 "[ . 1 . 2]" 1
12 1 38 ASN H 1 38 ASN HB2 0.000 . 3.170 2.849 2.216 3.441 0.271 12 0 "[ . 1 . 2]" 1
13 1 38 ASN H 1 38 ASN HB3 0.000 . 3.170 2.943 2.362 3.414 0.244 14 0 "[ . 1 . 2]" 1
14 1 38 ASN H 1 39 ALA H 0.000 . 3.240 2.867 2.419 3.473 0.233 20 0 "[ . 1 . 2]" 1
15 1 38 ASN HA 1 38 ASN HB2 0.000 . 2.930 2.450 2.341 2.970 0.040 10 0 "[ . 1 . 2]" 1
16 1 38 ASN HA 1 38 ASN HB3 0.000 . 2.930 2.899 2.434 3.010 0.080 7 0 "[ . 1 . 2]" 1
17 1 38 ASN HA 1 39 ALA H 0.000 . 3.480 3.080 2.102 3.500 0.020 13 0 "[ . 1 . 2]" 1
18 1 39 ALA H 1 40 GLU H 0.000 . 3.480 3.101 2.446 3.633 0.153 16 0 "[ . 1 . 2]" 1
19 1 39 ALA HA 1 40 GLU H 0.000 . 2.520 2.373 2.208 2.721 0.201 12 0 "[ . 1 . 2]" 1
20 1 39 ALA HA 1 41 PHE QD 0.000 . 6.570 3.533 2.946 5.111 . 0 0 "[ . 1 . 2]" 1
21 1 39 ALA HA 1 41 PHE QE 0.000 . 6.260 2.849 2.052 4.078 . 0 0 "[ . 1 . 2]" 1
22 1 39 ALA HA 1 41 PHE HZ 0.000 . 3.790 3.793 3.392 3.910 0.120 19 0 "[ . 1 . 2]" 1
23 1 39 ALA MB 1 40 GLU H 0.000 . 4.200 3.620 3.533 3.730 . 0 0 "[ . 1 . 2]" 1
24 1 40 GLU H 1 40 GLU HA 0.000 . 2.710 2.816 2.753 2.872 0.162 11 0 "[ . 1 . 2]" 1
25 1 40 GLU H 1 40 GLU HB2 0.000 . 3.450 2.745 2.346 3.528 0.078 1 0 "[ . 1 . 2]" 1
26 1 40 GLU H 1 40 GLU QB 0.000 . 3.210 2.383 2.113 2.719 . 0 0 "[ . 1 . 2]" 1
27 1 40 GLU H 1 40 GLU HB3 0.000 . 3.450 2.860 2.350 3.580 0.130 3 0 "[ . 1 . 2]" 1
28 1 40 GLU H 1 40 GLU QG 0.000 . 5.110 3.344 1.784 4.343 . 0 0 "[ . 1 . 2]" 1
29 1 40 GLU HB2 1 41 PHE H 0.000 . 3.890 3.569 2.498 4.088 0.198 3 0 "[ . 1 . 2]" 1
30 1 40 GLU HB3 1 41 PHE H 0.000 . 3.890 3.208 1.885 4.053 0.163 5 0 "[ . 1 . 2]" 1
31 1 41 PHE H 1 41 PHE QB 0.000 . 3.350 2.872 2.568 3.419 0.069 5 0 "[ . 1 . 2]" 1
32 1 41 PHE HA 1 41 PHE QB 0.000 . 2.780 2.258 2.171 2.364 . 0 0 "[ . 1 . 2]" 1
33 1 41 PHE HA 1 42 ASP H 0.000 . 2.900 2.467 2.148 2.878 . 0 0 "[ . 1 . 2]" 1
34 1 41 PHE QB 1 42 ASP H 0.000 . 4.490 2.426 1.798 3.106 . 0 0 "[ . 1 . 2]" 1
35 1 41 PHE QB 1 50 LEU MD1 0.000 . 6.420 3.239 2.039 4.766 . 0 0 "[ . 1 . 2]" 1
36 1 41 PHE QB 1 50 LEU MD2 0.000 . 6.140 4.629 2.502 6.219 0.079 20 0 "[ . 1 . 2]" 1
37 1 41 PHE QD 1 42 ASP H 0.000 . 7.620 3.731 2.987 4.119 . 0 0 "[ . 1 . 2]" 1
38 1 41 PHE QD 1 50 LEU MD1 0.000 . 7.040 3.546 2.319 5.894 . 0 0 "[ . 1 . 2]" 1
39 1 41 PHE QD 1 50 LEU MD2 0.000 . 8.650 5.217 3.244 7.602 . 0 0 "[ . 1 . 2]" 1
40 1 41 PHE QE 1 50 LEU MD1 0.000 . 7.810 4.564 2.204 7.663 . 0 0 "[ . 1 . 2]" 1
41 1 42 ASP H 1 42 ASP HB2 0.000 . 3.210 2.765 2.408 3.326 0.116 5 0 "[ . 1 . 2]" 1
42 1 42 ASP H 1 42 ASP HB3 0.000 . 3.210 2.633 2.517 3.257 0.047 5 0 "[ . 1 . 2]" 1
43 1 42 ASP H 1 45 LEU MD2 0.000 . 6.190 5.107 3.790 6.148 . 0 0 "[ . 1 . 2]" 1
44 1 42 ASP H 1 48 GLY HA2 0.000 . 4.230 2.572 1.811 3.561 . 0 0 "[ . 1 . 2]" 1
45 1 42 ASP H 1 48 GLY QA 0.000 . 4.000 2.421 1.787 3.318 . 0 0 "[ . 1 . 2]" 1
46 1 42 ASP H 1 48 GLY HA3 0.000 . 4.230 3.098 2.205 3.960 . 0 0 "[ . 1 . 2]" 1
47 1 42 ASP H 1 50 LEU MD1 0.000 . 6.530 4.830 3.754 6.194 . 0 0 "[ . 1 . 2]" 1
48 1 42 ASP H 1 50 LEU MD2 0.000 . 6.530 5.116 3.895 6.550 0.020 20 0 "[ . 1 . 2]" 1
49 1 42 ASP HA 1 43 PRO HD2 0.000 . 2.930 2.446 2.051 2.935 0.005 14 0 "[ . 1 . 2]" 1
50 1 42 ASP HA 1 43 PRO QD 0.000 . 2.530 1.981 1.859 2.109 . 0 0 "[ . 1 . 2]" 1
51 1 42 ASP HA 1 43 PRO HD3 0.000 . 2.930 2.169 1.881 2.471 . 0 0 "[ . 1 . 2]" 1
52 1 42 ASP QB 1 43 PRO QD 0.000 . 6.320 3.519 3.354 3.759 . 0 0 "[ . 1 . 2]" 1
53 1 42 ASP QB 1 45 LEU H 0.000 . 5.330 2.875 2.559 3.147 . 0 0 "[ . 1 . 2]" 1
54 1 42 ASP QB 1 45 LEU QB 0.000 . 5.060 2.266 1.950 2.518 . 0 0 "[ . 1 . 2]" 1
55 1 42 ASP QB 1 45 LEU MD2 0.000 . 4.910 3.043 2.368 4.047 . 0 0 "[ . 1 . 2]" 1
56 1 42 ASP QB 1 45 LEU HG 0.000 . 5.670 4.074 2.094 5.053 . 0 0 "[ . 1 . 2]" 1
57 1 42 ASP HB2 1 43 PRO HD2 0.000 . 7.250 4.256 3.902 4.867 . 0 0 "[ . 1 . 2]" 1
58 1 42 ASP HB2 1 43 PRO HD3 0.000 . 7.250 4.608 4.305 4.875 . 0 0 "[ . 1 . 2]" 1
59 1 42 ASP HB2 1 45 LEU HB2 0.000 . 5.500 3.785 2.544 4.194 . 0 0 "[ . 1 . 2]" 1
60 1 42 ASP HB2 1 45 LEU HB3 0.000 . 5.500 5.327 4.212 5.539 0.039 9 0 "[ . 1 . 2]" 1
61 1 42 ASP HB2 1 45 LEU MD2 0.000 . 5.230 3.840 3.095 5.116 . 0 0 "[ . 1 . 2]" 1
62 1 42 ASP HB3 1 43 PRO HD2 0.000 . 7.250 4.332 3.976 4.848 . 0 0 "[ . 1 . 2]" 1
63 1 42 ASP HB3 1 43 PRO HD3 0.000 . 7.250 4.810 4.519 5.083 . 0 0 "[ . 1 . 2]" 1
64 1 42 ASP HB3 1 45 LEU HB2 0.000 . 5.500 2.379 1.978 4.115 . 0 0 "[ . 1 . 2]" 1
65 1 42 ASP HB3 1 45 LEU HB3 0.000 . 5.500 3.988 3.470 5.655 0.155 5 0 "[ . 1 . 2]" 1
66 1 42 ASP HB3 1 45 LEU MD2 0.000 . 5.230 3.221 2.424 4.242 . 0 0 "[ . 1 . 2]" 1
67 1 43 PRO HA 1 45 LEU H 0.000 . 4.140 4.203 3.898 4.296 0.156 20 0 "[ . 1 . 2]" 1
68 1 43 PRO QB 1 44 ASP H 0.000 . 4.210 3.533 3.141 3.837 . 0 0 "[ . 1 . 2]" 1
69 1 43 PRO QD 1 44 ASP H 0.000 . 5.200 2.709 2.329 3.032 . 0 0 "[ . 1 . 2]" 1
70 1 43 PRO HD2 1 44 ASP H 0.000 . 5.500 2.761 2.353 3.113 . 0 0 "[ . 1 . 2]" 1
71 1 43 PRO HD3 1 44 ASP H 0.000 . 5.500 3.944 3.701 4.183 . 0 0 "[ . 1 . 2]" 1
72 1 43 PRO QG 1 44 ASP H 0.000 . 4.600 3.260 2.806 4.164 . 0 0 "[ . 1 . 2]" 1
73 1 43 PRO HG2 1 44 ASP H 0.000 . 4.850 3.385 2.843 4.575 . 0 0 "[ . 1 . 2]" 1
74 1 43 PRO HG3 1 44 ASP H 0.000 . 4.850 4.487 4.230 4.821 . 0 0 "[ . 1 . 2]" 1
75 1 44 ASP H 1 44 ASP HB2 0.000 . 3.330 2.797 2.621 2.967 . 0 0 "[ . 1 . 2]" 1
76 1 44 ASP H 1 44 ASP QB 0.000 . 3.070 2.338 2.220 2.429 . 0 0 "[ . 1 . 2]" 1
77 1 44 ASP H 1 44 ASP HB3 0.000 . 3.330 2.509 2.355 2.596 . 0 0 "[ . 1 . 2]" 1
78 1 44 ASP H 1 45 LEU H 0.000 . 3.140 2.096 1.848 2.359 . 0 0 "[ . 1 . 2]" 1
79 1 44 ASP QB 1 45 LEU H 0.000 . 3.720 2.762 2.620 2.922 . 0 0 "[ . 1 . 2]" 1
80 1 44 ASP HB2 1 45 LEU H 0.000 . 3.920 3.942 3.873 4.000 0.080 16 0 "[ . 1 . 2]" 1
81 1 44 ASP HB3 1 45 LEU H 0.000 . 3.920 2.821 2.661 3.003 . 0 0 "[ . 1 . 2]" 1
82 1 45 LEU H 1 45 LEU HB2 0.000 . 3.580 2.398 2.223 2.550 . 0 0 "[ . 1 . 2]" 1
83 1 45 LEU H 1 45 LEU QB 0.000 . 3.290 2.366 2.202 2.506 . 0 0 "[ . 1 . 2]" 1
84 1 45 LEU H 1 45 LEU HB3 0.000 . 3.580 3.619 3.543 3.692 0.112 20 0 "[ . 1 . 2]" 1
85 1 45 LEU H 1 45 LEU MD1 0.000 . 5.690 3.106 2.238 3.904 . 0 0 "[ . 1 . 2]" 1
86 1 45 LEU H 1 45 LEU HG 0.000 . 4.570 3.897 2.531 4.395 . 0 0 "[ . 1 . 2]" 1
87 1 45 LEU H 1 46 PRO HD2 0.000 . 5.500 5.207 4.950 5.381 . 0 0 "[ . 1 . 2]" 1
88 1 45 LEU H 1 46 PRO QD 0.000 . 5.140 4.255 3.888 4.442 . 0 0 "[ . 1 . 2]" 1
89 1 45 LEU H 1 46 PRO HD3 0.000 . 5.500 4.519 4.065 4.770 . 0 0 "[ . 1 . 2]" 1
90 1 45 LEU HA 1 45 LEU MD1 0.000 . 4.080 2.666 2.009 3.840 . 0 0 "[ . 1 . 2]" 1
91 1 45 LEU HA 1 46 PRO QD 0.000 . 3.490 1.872 1.775 1.970 . 0 0 "[ . 1 . 2]" 1
92 1 45 LEU HA 1 59 TYR QB 0.000 . 6.100 4.563 3.782 5.287 . 0 0 "[ . 1 . 2]" 1
93 1 45 LEU QB 1 45 LEU HG 0.000 . 2.660 2.303 2.157 2.445 . 0 0 "[ . 1 . 2]" 1
94 1 45 LEU QB 1 46 PRO QD 0.000 . 4.120 2.821 2.465 3.178 . 0 0 "[ . 1 . 2]" 1
95 1 45 LEU QB 1 49 GLY H 0.000 . 4.190 2.804 2.419 3.095 . 0 0 "[ . 1 . 2]" 1
96 1 45 LEU QB 1 49 GLY QA 0.000 . 4.500 2.414 1.865 3.444 . 0 0 "[ . 1 . 2]" 1
97 1 45 LEU QB 1 59 TYR QD 0.000 . 6.280 3.889 2.665 4.940 . 0 0 "[ . 1 . 2]" 1
98 1 45 LEU HB2 1 46 PRO HD2 0.000 . 4.600 4.430 4.131 4.661 0.061 11 0 "[ . 1 . 2]" 1
99 1 45 LEU HB2 1 46 PRO HD3 0.000 . 4.600 4.609 4.464 4.693 0.093 8 0 "[ . 1 . 2]" 1
100 1 45 LEU HB2 1 49 GLY H 0.000 . 4.450 3.540 2.950 3.857 . 0 0 "[ . 1 . 2]" 1
101 1 45 LEU HB2 1 49 GLY HA2 0.000 . 5.920 4.024 2.387 5.345 . 0 0 "[ . 1 . 2]" 1
102 1 45 LEU HB2 1 49 GLY HA3 0.000 . 5.920 3.461 2.426 4.875 . 0 0 "[ . 1 . 2]" 1
103 1 45 LEU HB2 1 59 TYR QD 0.000 . 6.460 5.418 4.122 6.500 0.040 14 0 "[ . 1 . 2]" 1
104 1 45 LEU HB3 1 46 PRO HD2 0.000 . 4.600 3.012 2.572 3.472 . 0 0 "[ . 1 . 2]" 1
105 1 45 LEU HB3 1 46 PRO HD3 0.000 . 4.600 3.714 3.299 4.129 . 0 0 "[ . 1 . 2]" 1
106 1 45 LEU HB3 1 49 GLY H 0.000 . 4.450 2.966 2.523 3.339 . 0 0 "[ . 1 . 2]" 1
107 1 45 LEU HB3 1 49 GLY HA2 0.000 . 5.920 2.828 2.074 4.162 . 0 0 "[ . 1 . 2]" 1
108 1 45 LEU HB3 1 49 GLY HA3 0.000 . 5.920 2.894 2.343 3.888 . 0 0 "[ . 1 . 2]" 1
109 1 45 LEU HB3 1 59 TYR QD 0.000 . 6.460 3.991 2.688 5.119 . 0 0 "[ . 1 . 2]" 1
110 1 45 LEU MD1 1 46 PRO HD2 0.000 . 4.790 4.067 2.723 4.846 0.056 14 0 "[ . 1 . 2]" 1
111 1 45 LEU MD1 1 46 PRO QD 0.000 . 4.600 3.567 2.495 4.209 . 0 0 "[ . 1 . 2]" 1
112 1 45 LEU MD1 1 46 PRO HD3 0.000 . 4.790 3.991 2.815 4.887 0.097 16 0 "[ . 1 . 2]" 1
113 1 45 LEU MD1 1 59 TYR QD 0.000 . 8.670 4.637 2.684 6.717 . 0 0 "[ . 1 . 2]" 1
114 1 45 LEU MD1 1 59 TYR QE 0.000 . 8.660 4.350 2.473 6.746 . 0 0 "[ . 1 . 2]" 1
115 1 45 LEU MD2 1 46 PRO HD2 0.000 . 6.530 4.296 2.953 4.972 . 0 0 "[ . 1 . 2]" 1
116 1 45 LEU MD2 1 46 PRO QD 0.000 . 6.410 3.856 2.623 4.380 . 0 0 "[ . 1 . 2]" 1
117 1 45 LEU MD2 1 46 PRO HD3 0.000 . 6.530 4.465 2.936 5.199 . 0 0 "[ . 1 . 2]" 1
118 1 45 LEU MD2 1 49 GLY H 0.000 . 6.530 4.651 3.806 5.342 . 0 0 "[ . 1 . 2]" 1
119 1 45 LEU MD2 1 49 GLY HA2 0.000 . 5.410 4.048 2.692 5.437 0.027 19 0 "[ . 1 . 2]" 1
120 1 45 LEU MD2 1 49 GLY QA 0.000 . 5.170 3.197 2.094 4.507 . 0 0 "[ . 1 . 2]" 1
121 1 45 LEU MD2 1 49 GLY HA3 0.000 . 5.410 3.394 2.132 4.812 . 0 0 "[ . 1 . 2]" 1
122 1 45 LEU MD2 1 59 TYR QD 0.000 . 7.090 4.497 3.171 5.933 . 0 0 "[ . 1 . 2]" 1
123 1 45 LEU MD2 1 59 TYR QE 0.000 . 6.580 4.013 1.971 5.284 . 0 0 "[ . 1 . 2]" 1
124 1 46 PRO HA 1 47 GLY H 0.000 . 3.520 2.270 2.054 3.535 0.015 7 0 "[ . 1 . 2]" 1
125 1 46 PRO HA 1 47 GLY QA 0.000 . 4.640 3.931 3.843 4.267 . 0 0 "[ . 1 . 2]" 1
126 1 46 PRO HA 1 48 GLY H 0.000 . 4.170 3.596 3.362 4.068 . 0 0 "[ . 1 . 2]" 1
127 1 46 PRO HA 1 49 GLY H 0.000 . 4.480 4.524 4.395 4.721 0.241 7 0 "[ . 1 . 2]" 1
128 1 46 PRO HA 1 61 ILE MG 0.000 . 5.880 3.003 2.147 4.359 . 0 0 "[ . 1 . 2]" 1
129 1 46 PRO QB 1 47 GLY H 0.000 . 4.400 3.283 1.784 3.642 . 0 0 "[ . 1 . 2]" 1
130 1 46 PRO QB 1 59 TYR QB 0.000 . 5.190 2.306 1.906 3.141 . 0 0 "[ . 1 . 2]" 1
131 1 46 PRO QB 1 61 ILE MG 0.000 . 5.900 2.568 2.021 4.440 . 0 0 "[ . 1 . 2]" 1
132 1 46 PRO HB2 1 59 TYR HB2 0.000 . 5.500 2.778 2.035 4.220 . 0 0 "[ . 1 . 2]" 1
133 1 46 PRO HB2 1 59 TYR HB3 0.000 . 5.500 2.572 2.065 3.315 . 0 0 "[ . 1 . 2]" 1
134 1 46 PRO HB2 1 61 ILE MG 0.000 . 6.530 3.715 3.041 5.562 . 0 0 "[ . 1 . 2]" 1
135 1 46 PRO HB3 1 59 TYR HB2 0.000 . 5.500 4.178 3.508 5.446 . 0 0 "[ . 1 . 2]" 1
136 1 46 PRO HB3 1 59 TYR HB3 0.000 . 5.500 4.278 3.806 4.894 . 0 0 "[ . 1 . 2]" 1
137 1 46 PRO HB3 1 61 ILE MG 0.000 . 6.530 2.630 2.037 4.667 . 0 0 "[ . 1 . 2]" 1
138 1 46 PRO QD 1 59 TYR QB 0.000 . 6.320 2.299 1.907 2.981 . 0 0 "[ . 1 . 2]" 1
139 1 46 PRO HD2 1 59 TYR HB2 0.000 . 7.250 2.546 1.980 3.413 . 0 0 "[ . 1 . 2]" 1
140 1 46 PRO HD2 1 59 TYR HB3 0.000 . 7.250 2.878 2.242 3.793 . 0 0 "[ . 1 . 2]" 1
141 1 46 PRO HD3 1 59 TYR HB2 0.000 . 7.250 3.983 3.521 4.684 . 0 0 "[ . 1 . 2]" 1
142 1 46 PRO HD3 1 59 TYR HB3 0.000 . 7.250 4.533 3.795 5.294 . 0 0 "[ . 1 . 2]" 1
143 1 46 PRO QG 1 59 TYR QB 0.000 . 5.350 2.364 1.994 2.860 . 0 0 "[ . 1 . 2]" 1
144 1 46 PRO HG2 1 59 TYR HB2 0.000 . 6.350 2.454 2.069 3.186 . 0 0 "[ . 1 . 2]" 1
145 1 46 PRO HG2 1 59 TYR HB3 0.000 . 6.350 3.467 2.351 4.084 . 0 0 "[ . 1 . 2]" 1
146 1 46 PRO HG3 1 59 TYR HB2 0.000 . 6.350 4.050 3.835 4.520 . 0 0 "[ . 1 . 2]" 1
147 1 46 PRO HG3 1 59 TYR HB3 0.000 . 6.350 4.752 4.005 5.185 . 0 0 "[ . 1 . 2]" 1
148 1 47 GLY H 1 48 GLY H 0.000 . 3.760 2.585 2.362 3.440 . 0 0 "[ . 1 . 2]" 1
149 1 47 GLY QA 1 51 HIS HD2 0.000 . 2.680 2.222 1.884 2.559 . 0 0 "[ . 1 . 2]" 1
150 1 47 GLY HA2 1 51 HIS HD2 0.000 . 2.960 2.946 2.633 3.018 0.058 14 0 "[ . 1 . 2]" 1
151 1 47 GLY HA2 1 61 ILE HA 0.000 . 3.330 2.875 2.319 3.334 0.004 18 0 "[ . 1 . 2]" 1
152 1 47 GLY HA3 1 51 HIS HD2 0.000 . 2.960 2.318 1.919 2.789 . 0 0 "[ . 1 . 2]" 1
153 1 47 GLY HA3 1 61 ILE HA 0.000 . 3.330 2.829 2.485 3.377 0.047 18 0 "[ . 1 . 2]" 1
154 1 48 GLY H 1 49 GLY H 0.000 . 3.420 2.537 2.105 2.668 . 0 0 "[ . 1 . 2]" 1
155 1 49 GLY H 1 50 LEU H 0.000 . 3.610 2.579 2.275 2.882 . 0 0 "[ . 1 . 2]" 1
156 1 49 GLY H 1 59 TYR QE 0.000 . 7.630 5.294 4.165 5.850 . 0 0 "[ . 1 . 2]" 1
157 1 49 GLY QA 1 59 TYR QD 0.000 . 5.710 2.116 1.872 2.635 . 0 0 "[ . 1 . 2]" 1
158 1 49 GLY QA 1 59 TYR QE 0.000 . 5.830 2.938 2.036 3.402 . 0 0 "[ . 1 . 2]" 1
159 1 49 GLY HA2 1 59 TYR QD 0.000 . 6.090 2.136 1.883 2.676 . 0 0 "[ . 1 . 2]" 1
160 1 49 GLY HA2 1 59 TYR QE 0.000 . 5.960 3.206 2.109 3.850 . 0 0 "[ . 1 . 2]" 1
161 1 49 GLY HA3 1 59 TYR QD 0.000 . 6.090 3.478 3.119 4.034 . 0 0 "[ . 1 . 2]" 1
162 1 49 GLY HA3 1 59 TYR QE 0.000 . 5.960 3.477 2.643 3.869 . 0 0 "[ . 1 . 2]" 1
163 1 50 LEU H 1 50 LEU HB2 0.000 . 3.450 2.384 2.339 2.442 . 0 0 "[ . 1 . 2]" 1
164 1 50 LEU H 1 50 LEU HB3 0.000 . 3.450 3.534 3.492 3.559 0.109 7 0 "[ . 1 . 2]" 1
165 1 50 LEU H 1 50 LEU MD1 0.000 . 5.780 3.719 3.601 3.895 . 0 0 "[ . 1 . 2]" 1
166 1 50 LEU H 1 50 LEU HG 0.000 . 3.550 2.494 2.296 2.950 . 0 0 "[ . 1 . 2]" 1
167 1 50 LEU H 1 51 HIS H 0.000 . 3.420 2.370 2.097 3.747 0.327 20 0 "[ . 1 . 2]" 1
168 1 50 LEU HA 1 50 LEU MD1 0.000 . 4.450 3.847 3.826 3.910 . 0 0 "[ . 1 . 2]" 1
169 1 50 LEU HA 1 50 LEU MD2 0.000 . 3.520 2.080 2.004 2.288 . 0 0 "[ . 1 . 2]" 1
170 1 50 LEU HA 1 50 LEU HG 0.000 . 3.920 3.185 3.034 3.437 . 0 0 "[ . 1 . 2]" 1
171 1 50 LEU HA 1 51 HIS H 0.000 . 3.360 3.334 2.562 3.444 0.084 10 0 "[ . 1 . 2]" 1
172 1 50 LEU HB2 1 51 HIS H 0.000 . 4.070 3.043 2.486 3.518 . 0 0 "[ . 1 . 2]" 1
173 1 50 LEU HB3 1 51 HIS H 0.000 . 4.070 3.857 1.819 4.165 0.095 5 0 "[ . 1 . 2]" 1
174 1 50 LEU MD1 1 51 HIS H 0.000 . 6.340 4.833 3.794 5.221 . 0 0 "[ . 1 . 2]" 1
175 1 50 LEU MD2 1 51 HIS H 0.000 . 6.220 4.600 3.735 4.771 . 0 0 "[ . 1 . 2]" 1
176 1 50 LEU HG 1 51 HIS H 0.000 . 5.500 4.467 4.280 4.842 . 0 0 "[ . 1 . 2]" 1
177 1 51 HIS H 1 51 HIS HB2 0.000 . 3.920 2.836 2.613 3.601 . 0 0 "[ . 1 . 2]" 1
178 1 51 HIS H 1 51 HIS QB 0.000 . 3.690 2.757 2.561 3.341 . 0 0 "[ . 1 . 2]" 1
179 1 51 HIS H 1 51 HIS HB3 0.000 . 3.920 3.799 3.682 3.956 0.036 20 0 "[ . 1 . 2]" 1
180 1 51 HIS H 1 51 HIS HD2 0.000 . 3.760 3.328 2.847 3.773 0.013 20 0 "[ . 1 . 2]" 1
181 1 51 HIS H 1 52 ARG H 0.000 . 3.790 3.847 3.277 3.927 0.137 15 0 "[ . 1 . 2]" 1
182 1 51 HIS H 1 60 PHE QB 0.000 . 6.380 5.289 4.839 5.798 . 0 0 "[ . 1 . 2]" 1
183 1 51 HIS HA 1 52 ARG H 0.000 . 3.420 2.148 2.035 2.389 . 0 0 "[ . 1 . 2]" 1
184 1 51 HIS HA 1 66 LEU HG 0.000 . 3.730 3.590 3.248 3.800 0.070 7 0 "[ . 1 . 2]" 1
185 1 51 HIS QB 1 52 ARG H 0.000 . 4.120 3.594 3.463 3.820 . 0 0 "[ . 1 . 2]" 1
186 1 51 HIS QB 1 66 LEU QB 0.000 . 5.930 2.770 2.422 3.639 . 0 0 "[ . 1 . 2]" 1
187 1 51 HIS QB 1 66 LEU MD1 0.000 . 7.410 3.772 3.580 3.918 . 0 0 "[ . 1 . 2]" 1
188 1 51 HIS QB 1 66 LEU HG 0.000 . 3.930 3.040 2.940 3.190 . 0 0 "[ . 1 . 2]" 1
189 1 51 HIS HB2 1 52 ARG H 0.000 . 4.450 4.327 4.269 4.389 . 0 0 "[ . 1 . 2]" 1
190 1 51 HIS HB2 1 66 LEU HB2 0.000 . 7.060 4.072 3.657 5.260 . 0 0 "[ . 1 . 2]" 1
191 1 51 HIS HB2 1 66 LEU HB3 0.000 . 7.060 4.875 4.317 6.381 . 0 0 "[ . 1 . 2]" 1
192 1 51 HIS HB2 1 66 LEU HG 0.000 . 4.380 4.450 4.397 4.514 0.134 7 0 "[ . 1 . 2]" 1
193 1 51 HIS HB3 1 52 ARG H 0.000 . 4.450 3.843 3.661 4.201 . 0 0 "[ . 1 . 2]" 1
194 1 51 HIS HB3 1 66 LEU HB2 0.000 . 7.060 3.044 2.662 3.867 . 0 0 "[ . 1 . 2]" 1
195 1 51 HIS HB3 1 66 LEU HB3 0.000 . 7.060 3.443 2.927 4.935 . 0 0 "[ . 1 . 2]" 1
196 1 51 HIS HB3 1 66 LEU HG 0.000 . 4.380 3.096 2.984 3.269 . 0 0 "[ . 1 . 2]" 1
197 1 51 HIS HD2 1 62 ASP HA 0.000 . 4.170 3.420 2.658 4.082 . 0 0 "[ . 1 . 2]" 1
198 1 51 HIS HE1 1 63 SER HB2 0.000 . 3.420 2.383 2.067 3.509 0.089 18 0 "[ . 1 . 2]" 1
199 1 51 HIS HE1 1 63 SER QB 0.000 . 3.150 2.296 2.052 2.501 . 0 0 "[ . 1 . 2]" 1
200 1 51 HIS HE1 1 63 SER HB3 0.000 . 3.420 3.429 2.473 3.511 0.091 4 0 "[ . 1 . 2]" 1
201 1 52 ARG H 1 52 ARG HB2 0.000 . 3.730 3.582 2.660 3.852 0.122 15 0 "[ . 1 . 2]" 1
202 1 52 ARG H 1 52 ARG QB 0.000 . 3.500 3.061 2.607 3.214 . 0 0 "[ . 1 . 2]" 1
203 1 52 ARG H 1 52 ARG HB3 0.000 . 3.730 3.460 3.292 3.794 0.064 17 0 "[ . 1 . 2]" 1
204 1 52 ARG H 1 59 TYR QD 0.000 . 7.640 5.189 4.632 6.523 . 0 0 "[ . 1 . 2]" 1
205 1 52 ARG H 1 59 TYR QE 0.000 . 7.630 6.184 4.947 7.430 . 0 0 "[ . 1 . 2]" 1
206 1 52 ARG H 1 66 LEU HG 0.000 . 3.860 3.487 3.050 3.835 . 0 0 "[ . 1 . 2]" 1
207 1 52 ARG HA 1 53 CYS H 0.000 . 3.080 2.086 2.003 2.220 . 0 0 "[ . 1 . 2]" 1
208 1 52 ARG HA 1 60 PHE H 0.000 . 3.890 3.231 2.983 3.911 0.021 11 0 "[ . 1 . 2]" 1
209 1 52 ARG HA 1 60 PHE QD 0.000 . 6.600 2.323 2.071 2.875 . 0 0 "[ . 1 . 2]" 1
210 1 52 ARG QB 1 53 CYS H 0.000 . 3.340 2.521 2.241 2.734 . 0 0 "[ . 1 . 2]" 1
211 1 52 ARG QB 1 59 TYR QD 0.000 . 5.710 2.861 1.995 4.822 . 0 0 "[ . 1 . 2]" 1
212 1 52 ARG QB 1 59 TYR QE 0.000 . 6.020 3.731 3.056 5.186 . 0 0 "[ . 1 . 2]" 1
213 1 52 ARG HB2 1 52 ARG HD2 0.000 . 3.890 3.030 2.362 3.753 . 0 0 "[ . 1 . 2]" 1
214 1 52 ARG HB2 1 52 ARG HD3 0.000 . 3.890 3.349 2.505 3.800 . 0 0 "[ . 1 . 2]" 1
215 1 52 ARG HB2 1 53 CYS H 0.000 . 3.520 2.762 2.264 3.709 0.189 11 0 "[ . 1 . 2]" 1
216 1 52 ARG HB2 1 59 TYR QD 0.000 . 5.840 4.215 3.474 5.746 . 0 0 "[ . 1 . 2]" 1
217 1 52 ARG HB2 1 59 TYR QE 0.000 . 6.270 4.687 3.973 6.044 . 0 0 "[ . 1 . 2]" 1
218 1 52 ARG HB3 1 52 ARG HD2 0.000 . 3.890 2.876 2.450 3.825 . 0 0 "[ . 1 . 2]" 1
219 1 52 ARG HB3 1 52 ARG HD3 0.000 . 3.890 2.969 2.425 3.736 . 0 0 "[ . 1 . 2]" 1
220 1 52 ARG HB3 1 53 CYS H 0.000 . 3.520 3.452 2.608 3.679 0.159 7 0 "[ . 1 . 2]" 1
221 1 52 ARG HB3 1 59 TYR QD 0.000 . 5.840 2.948 2.007 5.264 . 0 0 "[ . 1 . 2]" 1
222 1 52 ARG HB3 1 59 TYR QE 0.000 . 6.270 3.933 3.158 5.645 . 0 0 "[ . 1 . 2]" 1
223 1 52 ARG QD 1 54 LEU QD 0.000 . 6.570 3.347 2.629 4.029 . 0 0 "[ . 1 . 2]" 1
224 1 52 ARG QD 1 59 TYR QE 0.000 . 5.580 2.546 1.936 4.563 . 0 0 "[ . 1 . 2]" 1
225 1 52 ARG HD2 1 54 LEU MD1 0.000 . 8.210 5.920 4.036 7.063 . 0 0 "[ . 1 . 2]" 1
226 1 52 ARG HD2 1 54 LEU MD2 0.000 . 8.210 4.083 2.774 6.245 . 0 0 "[ . 1 . 2]" 1
227 1 52 ARG HD2 1 59 TYR QE 0.000 . 5.740 3.236 2.037 5.447 . 0 0 "[ . 1 . 2]" 1
228 1 52 ARG HD3 1 54 LEU MD1 0.000 . 8.210 6.086 3.434 7.833 . 0 0 "[ . 1 . 2]" 1
229 1 52 ARG HD3 1 54 LEU MD2 0.000 . 8.210 4.433 2.817 7.527 . 0 0 "[ . 1 . 2]" 1
230 1 52 ARG HD3 1 59 TYR QE 0.000 . 5.740 3.219 1.948 4.897 . 0 0 "[ . 1 . 2]" 1
231 1 52 ARG HG2 1 53 CYS H 0.000 . 4.880 4.461 3.674 4.903 0.023 16 0 "[ . 1 . 2]" 1
232 1 52 ARG HG3 1 53 CYS H 0.000 . 4.880 4.468 3.794 4.961 0.081 1 0 "[ . 1 . 2]" 1
233 1 53 CYS H 1 53 CYS HB2 0.000 . 3.520 3.027 2.917 3.168 . 0 0 "[ . 1 . 2]" 1
234 1 53 CYS H 1 53 CYS HB3 0.000 . 3.520 2.465 2.389 2.563 . 0 0 "[ . 1 . 2]" 1
235 1 53 CYS H 1 58 ARG H 0.000 . 3.890 3.572 3.371 3.802 . 0 0 "[ . 1 . 2]" 1
236 1 53 CYS H 1 60 PHE QD 0.000 . 7.620 3.116 2.923 3.419 . 0 0 "[ . 1 . 2]" 1
237 1 53 CYS H 1 60 PHE QE 0.000 . 7.620 2.317 2.110 2.618 . 0 0 "[ . 1 . 2]" 1
238 1 53 CYS H 1 66 LEU MD1 0.000 . 5.630 4.524 2.392 5.131 . 0 0 "[ . 1 . 2]" 1
239 1 53 CYS HA 1 54 LEU H 0.000 . 3.550 2.139 2.102 2.169 . 0 0 "[ . 1 . 2]" 1
240 1 53 CYS HA 1 55 ALA H 0.000 . 4.070 3.857 3.755 4.075 0.005 10 0 "[ . 1 . 2]" 1
241 1 53 CYS HA 1 66 LEU MD1 0.000 . 5.630 3.907 2.936 4.324 . 0 0 "[ . 1 . 2]" 1
242 1 53 CYS HA 1 70 PHE QE 0.000 . 6.570 3.387 3.108 3.635 . 0 0 "[ . 1 . 2]" 1
243 1 53 CYS QB 1 54 LEU H 0.000 . 5.140 3.848 3.795 3.880 . 0 0 "[ . 1 . 2]" 1
244 1 53 CYS QB 1 56 CYS H 0.000 . 4.190 3.287 3.061 3.392 . 0 0 "[ . 1 . 2]" 1
245 1 53 CYS QB 1 57 ALA H 0.000 . 5.110 4.154 3.926 4.481 . 0 0 "[ . 1 . 2]" 1
246 1 53 CYS QB 1 58 ARG H 0.000 . 5.230 3.708 3.524 3.873 . 0 0 "[ . 1 . 2]" 1
247 1 53 CYS QB 1 60 PHE QE 0.000 . 5.540 2.251 2.096 2.405 . 0 0 "[ . 1 . 2]" 1
248 1 53 CYS QB 1 60 PHE HZ 0.000 . 3.930 3.322 3.149 3.519 . 0 0 "[ . 1 . 2]" 1
249 1 53 CYS QB 1 66 LEU MD1 0.000 . 5.310 3.529 2.007 3.940 . 0 0 "[ . 1 . 2]" 1
250 1 53 CYS QB 1 66 LEU HG 0.000 . 5.150 4.257 4.167 4.347 . 0 0 "[ . 1 . 2]" 1
251 1 53 CYS QB 1 69 HIS HD2 0.000 . 3.120 2.390 2.229 2.513 . 0 0 "[ . 1 . 2]" 1
252 1 53 CYS QB 1 70 PHE QD 0.000 . 7.420 4.145 3.997 4.320 . 0 0 "[ . 1 . 2]" 1
253 1 53 CYS QB 1 70 PHE QE 0.000 . 6.970 2.303 2.106 2.494 . 0 0 "[ . 1 . 2]" 1
254 1 53 CYS HB2 1 56 CYS H 0.000 . 4.540 4.520 4.349 4.628 0.088 16 0 "[ . 1 . 2]" 1
255 1 53 CYS HB2 1 56 CYS HB2 0.000 . 5.790 4.037 3.847 4.207 . 0 0 "[ . 1 . 2]" 1
256 1 53 CYS HB2 1 58 ARG H 0.000 . 5.500 5.390 5.194 5.530 0.030 20 0 "[ . 1 . 2]" 1
257 1 53 CYS HB2 1 60 PHE QE 0.000 . 5.670 2.996 2.730 3.283 . 0 0 "[ . 1 . 2]" 1
258 1 53 CYS HB2 1 60 PHE HZ 0.000 . 4.100 4.141 4.110 4.187 0.087 13 0 "[ . 1 . 2]" 1
259 1 53 CYS HB2 1 66 LEU MD1 0.000 . 5.630 3.626 2.044 4.051 . 0 0 "[ . 1 . 2]" 1
260 1 53 CYS HB2 1 66 LEU HG 0.000 . 5.340 4.430 4.317 4.549 . 0 0 "[ . 1 . 2]" 1
261 1 53 CYS HB2 1 69 HIS HD2 0.000 . 3.330 2.448 2.264 2.598 . 0 0 "[ . 1 . 2]" 1
262 1 53 CYS HB2 1 70 PHE QE 0.000 . 7.620 2.333 2.127 2.535 . 0 0 "[ . 1 . 2]" 1
263 1 53 CYS HB3 1 56 CYS H 0.000 . 4.540 3.377 3.126 3.488 . 0 0 "[ . 1 . 2]" 1
264 1 53 CYS HB3 1 56 CYS HB2 0.000 . 5.790 2.488 2.343 2.664 . 0 0 "[ . 1 . 2]" 1
265 1 53 CYS HB3 1 58 ARG H 0.000 . 5.500 3.778 3.585 3.958 . 0 0 "[ . 1 . 2]" 1
266 1 53 CYS HB3 1 60 PHE QE 0.000 . 5.670 2.334 2.132 2.549 . 0 0 "[ . 1 . 2]" 1
267 1 53 CYS HB3 1 60 PHE HZ 0.000 . 4.100 3.504 3.261 3.810 . 0 0 "[ . 1 . 2]" 1
268 1 53 CYS HB3 1 66 LEU MD1 0.000 . 5.630 4.848 2.928 5.387 . 0 0 "[ . 1 . 2]" 1
269 1 53 CYS HB3 1 66 LEU HG 0.000 . 5.340 5.514 5.469 5.584 0.244 13 0 "[ . 1 . 2]" 1
270 1 53 CYS HB3 1 69 HIS HD2 0.000 . 3.330 3.344 3.227 3.385 0.055 7 0 "[ . 1 . 2]" 1
271 1 53 CYS HB3 1 70 PHE QE 0.000 . 7.620 3.569 3.389 3.741 . 0 0 "[ . 1 . 2]" 1
272 1 54 LEU H 1 54 LEU HB2 0.000 . 3.670 2.483 2.343 2.542 . 0 0 "[ . 1 . 2]" 1
273 1 54 LEU H 1 54 LEU HB3 0.000 . 3.670 3.464 2.397 3.633 . 0 0 "[ . 1 . 2]" 1
274 1 54 LEU H 1 54 LEU HG 0.000 . 4.200 2.492 2.085 4.288 0.088 18 0 "[ . 1 . 2]" 1
275 1 54 LEU H 1 55 ALA H 0.000 . 3.640 2.549 2.403 2.681 . 0 0 "[ . 1 . 2]" 1
276 1 54 LEU HA 1 54 LEU QB 0.000 . 2.700 2.358 2.344 2.405 . 0 0 "[ . 1 . 2]" 1
277 1 54 LEU HA 1 54 LEU MD1 0.000 . 4.540 3.631 2.072 3.879 . 0 0 "[ . 1 . 2]" 1
278 1 54 LEU HA 1 54 LEU QD 0.000 . 3.880 2.090 1.978 2.911 . 0 0 "[ . 1 . 2]" 1
279 1 54 LEU HA 1 54 LEU MD2 0.000 . 4.540 2.317 1.985 3.874 . 0 0 "[ . 1 . 2]" 1
280 1 54 LEU HA 1 54 LEU HG 0.000 . 3.640 3.078 2.434 3.175 . 0 0 "[ . 1 . 2]" 1
281 1 54 LEU HA 1 57 ALA HA 0.000 . 3.330 3.329 3.140 3.408 0.078 13 0 "[ . 1 . 2]" 1
282 1 54 LEU HA 1 57 ALA MB 0.000 . 5.130 4.350 4.200 4.497 . 0 0 "[ . 1 . 2]" 1
283 1 54 LEU HB2 1 54 LEU HG 0.000 . 2.830 2.474 2.350 2.937 0.107 18 0 "[ . 1 . 2]" 1
284 1 54 LEU HB2 1 55 ALA H 0.000 . 3.640 2.781 2.551 3.709 0.069 19 0 "[ . 1 . 2]" 1
285 1 54 LEU HB3 1 54 LEU HG 0.000 . 2.830 2.882 2.356 2.968 0.138 13 0 "[ . 1 . 2]" 1
286 1 54 LEU HB3 1 55 ALA H 0.000 . 3.640 3.559 2.435 3.722 0.082 5 0 "[ . 1 . 2]" 1
287 1 54 LEU QD 1 55 ALA H 0.000 . 8.100 4.033 3.637 4.165 . 0 0 "[ . 1 . 2]" 1
288 1 54 LEU QD 1 57 ALA H 0.000 . 8.000 4.518 4.138 4.997 . 0 0 "[ . 1 . 2]" 1
289 1 54 LEU HG 1 55 ALA H 0.000 . 4.790 4.203 3.655 4.846 0.056 7 0 "[ . 1 . 2]" 1
290 1 55 ALA H 1 56 CYS H 0.000 . 3.390 2.663 2.618 2.734 . 0 0 "[ . 1 . 2]" 1
291 1 55 ALA H 1 57 ALA H 0.000 . 4.200 3.980 3.868 4.066 . 0 0 "[ . 1 . 2]" 1
292 1 55 ALA MB 1 75 HIS HE1 0.000 . 3.680 2.622 2.300 2.938 . 0 0 "[ . 1 . 2]" 1
293 1 56 CYS H 1 56 CYS HB2 0.000 . 3.520 2.783 2.670 2.851 . 0 0 "[ . 1 . 2]" 1
294 1 56 CYS H 1 57 ALA H 0.000 . 3.270 2.053 1.958 2.249 . 0 0 "[ . 1 . 2]" 1
295 1 56 CYS HA 1 57 ALA H 0.000 . 3.480 3.344 3.246 3.422 . 0 0 "[ . 1 . 2]" 1
296 1 56 CYS HB2 1 57 ALA H 0.000 . 4.140 3.606 3.427 3.851 . 0 0 "[ . 1 . 2]" 1
297 1 56 CYS HB2 1 58 ARG H 0.000 . 4.350 3.158 2.985 3.511 . 0 0 "[ . 1 . 2]" 1
298 1 56 CYS HB2 1 58 ARG HB2 0.000 . 5.310 3.439 2.983 5.321 0.011 7 0 "[ . 1 . 2]" 1
299 1 56 CYS HB2 1 58 ARG HB3 0.000 . 5.310 4.912 2.899 5.377 0.067 2 0 "[ . 1 . 2]" 1
300 1 56 CYS HB2 1 58 ARG HG2 0.000 . 6.600 4.649 2.388 5.904 . 0 0 "[ . 1 . 2]" 1
301 1 56 CYS HB2 1 58 ARG HG3 0.000 . 6.600 4.236 3.371 6.255 . 0 0 "[ . 1 . 2]" 1
302 1 56 CYS HB2 1 69 HIS HE1 0.000 . 3.730 4.011 3.942 4.055 0.325 17 0 "[ . 1 . 2]" 1
303 1 57 ALA H 1 57 ALA HA 0.000 . 2.710 2.230 2.200 2.261 . 0 0 "[ . 1 . 2]" 1
304 1 57 ALA H 1 58 ARG H 0.000 . 3.360 2.649 2.557 2.763 . 0 0 "[ . 1 . 2]" 1
305 1 57 ALA HA 1 58 ARG H 0.000 . 3.140 2.983 2.848 3.098 . 0 0 "[ . 1 . 2]" 1
306 1 58 ARG H 1 58 ARG HB2 0.000 . 3.980 2.630 2.407 3.832 . 0 0 "[ . 1 . 2]" 1
307 1 58 ARG H 1 58 ARG QB 0.000 . 3.810 2.528 2.337 3.081 . 0 0 "[ . 1 . 2]" 1
308 1 58 ARG H 1 58 ARG HB3 0.000 . 3.980 3.621 2.482 3.784 . 0 0 "[ . 1 . 2]" 1
309 1 58 ARG H 1 58 ARG QD 0.000 . 5.540 3.978 2.754 4.674 . 0 0 "[ . 1 . 2]" 1
310 1 58 ARG H 1 58 ARG HG2 0.000 . 5.310 3.588 2.327 4.717 . 0 0 "[ . 1 . 2]" 1
311 1 58 ARG H 1 58 ARG QG 0.000 . 4.770 2.920 2.267 4.055 . 0 0 "[ . 1 . 2]" 1
312 1 58 ARG H 1 58 ARG HG3 0.000 . 5.310 3.459 2.672 4.421 . 0 0 "[ . 1 . 2]" 1
313 1 58 ARG HA 1 59 TYR H 0.000 . 2.860 2.268 2.161 2.542 . 0 0 "[ . 1 . 2]" 1
314 1 58 ARG QB 1 59 TYR H 0.000 . 3.510 2.668 2.218 3.497 . 0 0 "[ . 1 . 2]" 1
315 1 58 ARG QB 1 60 PHE HZ 0.000 . 5.200 3.409 2.814 4.777 . 0 0 "[ . 1 . 2]" 1
316 1 58 ARG HB2 1 59 TYR H 0.000 . 3.860 3.762 2.571 3.959 0.099 15 0 "[ . 1 . 2]" 1
317 1 58 ARG HB2 1 60 PHE QE 0.000 . 6.230 3.345 2.617 4.690 . 0 0 "[ . 1 . 2]" 1
318 1 58 ARG HB3 1 59 TYR H 0.000 . 3.860 2.797 2.243 3.894 0.034 15 0 "[ . 1 . 2]" 1
319 1 58 ARG HB3 1 60 PHE QE 0.000 . 6.230 4.148 3.088 5.116 . 0 0 "[ . 1 . 2]" 1
320 1 58 ARG QD 1 59 TYR H 0.000 . 4.980 4.320 2.148 5.109 0.129 16 0 "[ . 1 . 2]" 1
321 1 58 ARG QG 1 59 TYR H 0.000 . 4.460 3.950 2.560 4.497 0.037 10 0 "[ . 1 . 2]" 1
322 1 58 ARG HG2 1 59 TYR H 0.000 . 5.040 4.443 3.772 5.044 0.004 10 0 "[ . 1 . 2]" 1
323 1 58 ARG HG3 1 59 TYR H 0.000 . 5.040 4.647 2.588 5.066 0.026 18 0 "[ . 1 . 2]" 1
324 1 59 TYR H 1 59 TYR HB2 0.000 . 3.330 2.313 2.197 2.409 . 0 0 "[ . 1 . 2]" 1
325 1 59 TYR H 1 59 TYR HB3 0.000 . 3.330 3.493 3.455 3.523 0.193 4 0 "[ . 1 . 2]" 1
326 1 59 TYR HA 1 60 PHE H 0.000 . 3.420 2.221 2.146 2.312 . 0 0 "[ . 1 . 2]" 1
327 1 60 PHE H 1 60 PHE HB2 0.000 . 3.890 2.612 2.519 2.727 . 0 0 "[ . 1 . 2]" 1
328 1 60 PHE H 1 60 PHE QB 0.000 . 3.590 2.565 2.478 2.671 . 0 0 "[ . 1 . 2]" 1
329 1 60 PHE H 1 60 PHE HB3 0.000 . 3.890 3.744 3.683 3.815 . 0 0 "[ . 1 . 2]" 1
330 1 60 PHE HA 1 61 ILE H 0.000 . 3.520 2.292 2.193 2.469 . 0 0 "[ . 1 . 2]" 1
331 1 60 PHE HA 1 61 ILE QG 0.000 . 6.380 4.060 3.675 5.151 . 0 0 "[ . 1 . 2]" 1
332 1 60 PHE HA 1 61 ILE MG 0.000 . 5.660 3.717 3.535 5.531 . 0 0 "[ . 1 . 2]" 1
333 1 60 PHE HA 1 62 ASP H 0.000 . 4.420 4.176 3.877 4.430 0.010 7 0 "[ . 1 . 2]" 1
334 1 60 PHE QB 1 61 ILE H 0.000 . 3.630 2.726 2.535 2.821 . 0 0 "[ . 1 . 2]" 1
335 1 60 PHE QB 1 62 ASP H 0.000 . 3.800 2.753 2.462 2.940 . 0 0 "[ . 1 . 2]" 1
336 1 60 PHE QB 1 66 LEU H 0.000 . 6.380 3.148 2.847 3.616 . 0 0 "[ . 1 . 2]" 1
337 1 60 PHE QB 1 66 LEU MD1 0.000 . 5.400 4.375 3.168 4.785 . 0 0 "[ . 1 . 2]" 1
338 1 60 PHE QB 1 66 LEU HG 0.000 . 6.380 4.016 3.659 4.387 . 0 0 "[ . 1 . 2]" 1
339 1 60 PHE HB2 1 61 ILE H 0.000 . 3.830 3.821 3.551 3.910 0.080 17 0 "[ . 1 . 2]" 1
340 1 60 PHE HB2 1 62 ASP H 0.000 . 4.070 3.477 3.137 3.901 . 0 0 "[ . 1 . 2]" 1
341 1 60 PHE HB2 1 66 LEU MD1 0.000 . 5.850 4.600 3.277 5.074 . 0 0 "[ . 1 . 2]" 1
342 1 60 PHE HB3 1 61 ILE H 0.000 . 3.830 2.791 2.595 2.896 . 0 0 "[ . 1 . 2]" 1
343 1 60 PHE HB3 1 62 ASP H 0.000 . 4.070 2.895 2.535 3.091 . 0 0 "[ . 1 . 2]" 1
344 1 60 PHE HB3 1 66 LEU MD1 0.000 . 5.850 5.484 4.196 5.861 0.011 15 0 "[ . 1 . 2]" 1
345 1 60 PHE QD 1 61 ILE H 0.000 . 7.620 4.103 3.954 4.288 . 0 0 "[ . 1 . 2]" 1
346 1 60 PHE QD 1 62 ASP H 0.000 . 7.620 4.749 4.402 4.936 . 0 0 "[ . 1 . 2]" 1
347 1 60 PHE QD 1 65 ASN H 0.000 . 6.130 5.518 5.234 5.809 . 0 0 "[ . 1 . 2]" 1
348 1 60 PHE QD 1 65 ASN HB2 0.000 . 5.640 3.853 3.551 4.185 . 0 0 "[ . 1 . 2]" 1
349 1 60 PHE QD 1 65 ASN HB3 0.000 . 5.640 2.580 2.206 3.021 . 0 0 "[ . 1 . 2]" 1
350 1 60 PHE QD 1 66 LEU HB2 0.000 . 6.780 3.348 2.614 5.326 . 0 0 "[ . 1 . 2]" 1
351 1 60 PHE QD 1 66 LEU QB 0.000 . 6.360 3.229 2.590 4.871 . 0 0 "[ . 1 . 2]" 1
352 1 60 PHE QD 1 66 LEU HB3 0.000 . 6.780 4.639 4.234 5.641 . 0 0 "[ . 1 . 2]" 1
353 1 60 PHE QD 1 66 LEU MD1 0.000 . 6.260 4.203 2.431 4.777 . 0 0 "[ . 1 . 2]" 1
354 1 60 PHE QD 1 66 LEU HG 0.000 . 6.510 3.722 3.438 4.376 . 0 0 "[ . 1 . 2]" 1
355 1 60 PHE QE 1 66 LEU H 0.000 . 5.700 5.566 5.218 5.743 0.043 6 0 "[ . 1 . 2]" 1
356 1 60 PHE QE 1 66 LEU MD1 0.000 . 6.880 4.491 2.446 5.125 . 0 0 "[ . 1 . 2]" 1
357 1 60 PHE QE 1 66 LEU HG 0.000 . 5.890 4.715 4.502 5.267 . 0 0 "[ . 1 . 2]" 1
358 1 60 PHE QE 1 69 HIS HB2 0.000 . 7.620 2.730 2.397 3.290 . 0 0 "[ . 1 . 2]" 1
359 1 60 PHE QE 1 69 HIS QB 0.000 . 6.850 2.671 2.361 3.190 . 0 0 "[ . 1 . 2]" 1
360 1 60 PHE QE 1 69 HIS HB3 0.000 . 7.620 3.806 3.544 4.291 . 0 0 "[ . 1 . 2]" 1
361 1 60 PHE HZ 1 69 HIS HE1 0.000 . 4.230 3.925 3.487 4.281 0.051 13 0 "[ . 1 . 2]" 1
362 1 61 ILE H 1 61 ILE HB 0.000 . 3.420 3.496 2.452 3.591 0.171 14 0 "[ . 1 . 2]" 1
363 1 61 ILE H 1 61 ILE MD 0.000 . 5.010 3.335 1.700 3.634 . 0 0 "[ . 1 . 2]" 1
364 1 61 ILE H 1 61 ILE HG12 0.000 . 3.890 2.276 1.904 3.485 . 0 0 "[ . 1 . 2]" 1
365 1 61 ILE H 1 61 ILE HG13 0.000 . 3.890 3.082 1.956 3.805 . 0 0 "[ . 1 . 2]" 1
366 1 61 ILE H 1 61 ILE MG 0.000 . 4.020 2.324 2.115 3.776 . 0 0 "[ . 1 . 2]" 1
367 1 61 ILE H 1 62 ASP H 0.000 . 3.520 2.696 2.482 2.872 . 0 0 "[ . 1 . 2]" 1
368 1 61 ILE H 1 65 ASN QB 0.000 . 5.330 3.646 3.420 3.952 . 0 0 "[ . 1 . 2]" 1
369 1 61 ILE HA 1 61 ILE HB 0.000 . 2.860 2.461 2.379 2.979 0.119 13 0 "[ . 1 . 2]" 1
370 1 61 ILE HB 1 62 ASP H 0.000 . 3.980 3.851 2.912 4.027 0.047 6 0 "[ . 1 . 2]" 1
371 1 61 ILE MD 1 62 ASP H 0.000 . 6.400 3.791 2.296 4.624 . 0 0 "[ . 1 . 2]" 1
372 1 61 ILE MD 1 62 ASP HA 0.000 . 5.540 5.228 3.517 5.626 0.086 13 0 "[ . 1 . 2]" 1
373 1 61 ILE MD 1 62 ASP QB 0.000 . 6.600 3.685 1.958 5.100 . 0 0 "[ . 1 . 2]" 1
374 1 61 ILE MD 1 65 ASN HD21 0.000 . 5.500 3.343 2.404 5.542 0.042 13 0 "[ . 1 . 2]" 1
375 1 61 ILE MD 1 65 ASN QD 0.000 . 5.330 2.688 2.075 4.863 . 0 0 "[ . 1 . 2]" 1
376 1 61 ILE MD 1 65 ASN HD22 0.000 . 5.500 2.856 2.269 5.384 . 0 0 "[ . 1 . 2]" 1
377 1 61 ILE QG 1 62 ASP H 0.000 . 4.800 2.575 2.178 4.207 . 0 0 "[ . 1 . 2]" 1
378 1 61 ILE QG 1 62 ASP QB 0.000 . 6.630 2.989 2.487 4.946 . 0 0 "[ . 1 . 2]" 1
379 1 61 ILE QG 1 65 ASN QB 0.000 . 5.910 3.276 2.639 4.743 . 0 0 "[ . 1 . 2]" 1
380 1 61 ILE QG 1 65 ASN QD 0.000 . 5.150 2.680 1.883 3.947 . 0 0 "[ . 1 . 2]" 1
381 1 61 ILE HG12 1 62 ASP H 0.000 . 5.340 3.162 2.391 4.549 . 0 0 "[ . 1 . 2]" 1
382 1 61 ILE HG12 1 65 ASN HB2 0.000 . 7.030 4.002 3.080 5.573 . 0 0 "[ . 1 . 2]" 1
383 1 61 ILE HG12 1 65 ASN HB3 0.000 . 7.030 4.362 3.427 5.901 . 0 0 "[ . 1 . 2]" 1
384 1 61 ILE HG12 1 65 ASN HD21 0.000 . 5.500 3.646 2.249 5.136 . 0 0 "[ . 1 . 2]" 1
385 1 61 ILE HG12 1 65 ASN HD22 0.000 . 5.500 3.817 2.852 4.774 . 0 0 "[ . 1 . 2]" 1
386 1 61 ILE HG13 1 62 ASP H 0.000 . 5.340 2.896 2.268 5.233 . 0 0 "[ . 1 . 2]" 1
387 1 61 ILE HG13 1 65 ASN HB2 0.000 . 7.030 4.002 3.160 6.517 . 0 0 "[ . 1 . 2]" 1
388 1 61 ILE HG13 1 65 ASN HB3 0.000 . 7.030 4.807 4.243 6.732 . 0 0 "[ . 1 . 2]" 1
389 1 61 ILE HG13 1 65 ASN HD21 0.000 . 5.500 3.198 2.126 5.507 0.007 13 0 "[ . 1 . 2]" 1
390 1 61 ILE HG13 1 65 ASN HD22 0.000 . 5.500 3.503 2.635 4.728 . 0 0 "[ . 1 . 2]" 1
391 1 61 ILE MG 1 62 ASP H 0.000 . 4.920 4.090 3.577 4.217 . 0 0 "[ . 1 . 2]" 1
392 1 61 ILE MG 1 62 ASP HA 0.000 . 5.600 5.509 3.847 5.619 0.019 3 0 "[ . 1 . 2]" 1
393 1 61 ILE MG 1 65 ASN QB 0.000 . 5.950 4.887 4.444 5.249 . 0 0 "[ . 1 . 2]" 1
394 1 61 ILE MG 1 65 ASN HD21 0.000 . 5.750 5.219 3.753 5.752 0.002 8 0 "[ . 1 . 2]" 1
395 1 61 ILE MG 1 65 ASN QD 0.000 . 5.440 4.682 3.214 5.148 . 0 0 "[ . 1 . 2]" 1
396 1 61 ILE MG 1 65 ASN HD22 0.000 . 5.750 5.311 3.494 5.806 0.056 8 0 "[ . 1 . 2]" 1
397 1 62 ASP H 1 62 ASP QB 0.000 . 3.740 2.819 2.644 3.280 . 0 0 "[ . 1 . 2]" 1
398 1 62 ASP H 1 65 ASN HB2 0.000 . 3.760 2.565 2.368 2.759 . 0 0 "[ . 1 . 2]" 1
399 1 62 ASP H 1 65 ASN QB 0.000 . 3.500 2.526 2.345 2.693 . 0 0 "[ . 1 . 2]" 1
400 1 62 ASP H 1 65 ASN HB3 0.000 . 3.760 3.813 3.761 3.863 0.103 6 0 "[ . 1 . 2]" 1
401 1 62 ASP HA 1 63 SER H 0.000 . 3.050 2.361 2.228 2.579 . 0 0 "[ . 1 . 2]" 1
402 1 62 ASP QB 1 63 SER H 0.000 . 4.020 3.128 2.035 3.476 . 0 0 "[ . 1 . 2]" 1
403 1 62 ASP QB 1 64 THR H 0.000 . 4.150 3.117 2.214 3.435 . 0 0 "[ . 1 . 2]" 1
404 1 62 ASP QB 1 64 THR HB 0.000 . 4.980 3.555 2.519 4.538 . 0 0 "[ . 1 . 2]" 1
405 1 63 SER H 1 63 SER HB2 0.000 . 3.610 2.621 2.492 3.483 . 0 0 "[ . 1 . 2]" 1
406 1 63 SER H 1 63 SER HB3 0.000 . 3.610 2.449 2.389 2.532 . 0 0 "[ . 1 . 2]" 1
407 1 63 SER H 1 64 THR H 0.000 . 3.610 2.642 2.304 2.786 . 0 0 "[ . 1 . 2]" 1
408 1 63 SER HA 1 66 LEU H 0.000 . 3.550 3.192 2.848 3.367 . 0 0 "[ . 1 . 2]" 1
409 1 63 SER HA 1 66 LEU HB2 0.000 . 3.610 3.189 2.129 3.556 . 0 0 "[ . 1 . 2]" 1
410 1 63 SER HA 1 66 LEU QB 0.000 . 3.270 2.232 2.117 2.306 . 0 0 "[ . 1 . 2]" 1
411 1 63 SER HA 1 66 LEU HB3 0.000 . 3.610 2.567 2.179 3.762 0.152 6 0 "[ . 1 . 2]" 1
412 1 63 SER HA 1 66 LEU MD1 0.000 . 6.090 3.572 3.072 4.668 . 0 0 "[ . 1 . 2]" 1
413 1 63 SER HA 1 66 LEU MD2 0.000 . 6.530 4.395 2.170 4.982 . 0 0 "[ . 1 . 2]" 1
414 1 63 SER HA 1 66 LEU HG 0.000 . 3.950 3.948 3.434 4.104 0.154 9 0 "[ . 1 . 2]" 1
415 1 63 SER HA 1 67 LYS H 0.000 . 3.860 3.691 3.413 3.818 . 0 0 "[ . 1 . 2]" 1
416 1 63 SER QB 1 64 THR H 0.000 . 4.040 2.977 2.788 3.499 . 0 0 "[ . 1 . 2]" 1
417 1 63 SER HB2 1 64 THR H 0.000 . 4.260 4.123 3.830 4.268 0.008 19 0 "[ . 1 . 2]" 1
418 1 63 SER HB3 1 64 THR H 0.000 . 4.260 3.071 2.848 4.047 . 0 0 "[ . 1 . 2]" 1
419 1 63 SER HG 1 64 THR HA 0.000 . 4.600 4.301 3.888 4.631 0.031 4 0 "[ . 1 . 2]" 1
420 1 64 THR H 1 64 THR HB 0.000 . 3.080 2.589 2.466 3.328 0.248 19 0 "[ . 1 . 2]" 1
421 1 64 THR H 1 65 ASN H 0.000 . 3.420 2.643 2.499 2.731 . 0 0 "[ . 1 . 2]" 1
422 1 64 THR HA 1 64 THR HB 0.000 . 2.860 2.963 2.512 2.991 0.131 20 0 "[ . 1 . 2]" 1
423 1 64 THR HA 1 67 LYS QB 0.000 . 3.870 2.788 2.084 3.942 0.072 1 0 "[ . 1 . 2]" 1
424 1 64 THR HB 1 65 ASN H 0.000 . 3.140 2.659 2.383 3.212 0.072 19 0 "[ . 1 . 2]" 1
425 1 64 THR HB 1 65 ASN HD21 0.000 . 5.500 3.782 3.175 5.510 0.010 6 0 "[ . 1 . 2]" 1
426 1 64 THR HB 1 65 ASN HD22 0.000 . 5.500 4.521 3.935 5.248 . 0 0 "[ . 1 . 2]" 1
427 1 64 THR MG 1 65 ASN H 0.000 . 5.540 3.710 3.491 3.897 . 0 0 "[ . 1 . 2]" 1
428 1 65 ASN H 1 65 ASN HB2 0.000 . 3.270 2.122 2.073 2.234 . 0 0 "[ . 1 . 2]" 1
429 1 65 ASN H 1 65 ASN HB3 0.000 . 3.270 3.427 3.330 3.466 0.196 13 0 "[ . 1 . 2]" 1
430 1 65 ASN H 1 65 ASN HD21 0.000 . 4.570 2.620 2.185 3.716 . 0 0 "[ . 1 . 2]" 1
431 1 65 ASN H 1 65 ASN QD 0.000 . 4.320 2.572 2.166 3.500 . 0 0 "[ . 1 . 2]" 1
432 1 65 ASN H 1 65 ASN HD22 0.000 . 4.570 3.947 3.562 4.601 0.031 15 0 "[ . 1 . 2]" 1
433 1 65 ASN H 1 66 LEU H 0.000 . 3.420 2.538 2.405 2.736 . 0 0 "[ . 1 . 2]" 1
434 1 65 ASN HA 1 67 LYS H 0.000 . 4.600 4.655 4.575 4.697 0.097 19 0 "[ . 1 . 2]" 1
435 1 65 ASN HA 1 68 THR HB 0.000 . 3.050 2.726 2.525 2.979 . 0 0 "[ . 1 . 2]" 1
436 1 65 ASN QB 1 66 LEU H 0.000 . 3.550 2.554 2.399 2.717 . 0 0 "[ . 1 . 2]" 1
437 1 65 ASN QB 1 67 LYS H 0.000 . 5.170 4.754 4.647 4.870 . 0 0 "[ . 1 . 2]" 1
438 1 65 ASN HB2 1 66 LEU H 0.000 . 3.760 2.676 2.468 3.051 . 0 0 "[ . 1 . 2]" 1
439 1 65 ASN HB3 1 66 LEU H 0.000 . 3.760 3.288 2.978 3.493 . 0 0 "[ . 1 . 2]" 1
440 1 66 LEU H 1 66 LEU HB2 0.000 . 3.520 2.523 2.125 2.685 . 0 0 "[ . 1 . 2]" 1
441 1 66 LEU H 1 66 LEU QB 0.000 . 3.310 2.149 2.108 2.175 . 0 0 "[ . 1 . 2]" 1
442 1 66 LEU H 1 66 LEU HB3 0.000 . 3.520 2.534 2.265 3.518 . 0 0 "[ . 1 . 2]" 1
443 1 66 LEU H 1 66 LEU MD1 0.000 . 5.320 3.908 3.686 4.007 . 0 0 "[ . 1 . 2]" 1
444 1 66 LEU H 1 66 LEU HG 0.000 . 4.690 4.476 4.040 4.614 . 0 0 "[ . 1 . 2]" 1
445 1 66 LEU H 1 67 LYS H 0.000 . 3.390 2.676 2.582 2.729 . 0 0 "[ . 1 . 2]" 1
446 1 66 LEU HA 1 66 LEU MD1 0.000 . 4.110 3.121 1.870 3.485 . 0 0 "[ . 1 . 2]" 1
447 1 66 LEU HA 1 66 LEU HG 0.000 . 4.070 3.792 3.580 3.878 . 0 0 "[ . 1 . 2]" 1
448 1 66 LEU HA 1 69 HIS H 0.000 . 3.640 3.404 3.227 3.560 . 0 0 "[ . 1 . 2]" 1
449 1 66 LEU HA 1 69 HIS HB2 0.000 . 3.520 3.304 3.036 3.526 0.006 1 0 "[ . 1 . 2]" 1
450 1 66 LEU HA 1 69 HIS QB 0.000 . 3.280 2.373 2.043 2.561 . 0 0 "[ . 1 . 2]" 1
451 1 66 LEU HA 1 69 HIS HB3 0.000 . 3.520 2.438 2.067 2.638 . 0 0 "[ . 1 . 2]" 1
452 1 66 LEU QB 1 67 LYS H 0.000 . 3.710 2.404 2.209 2.504 . 0 0 "[ . 1 . 2]" 1
453 1 66 LEU HB2 1 67 LYS H 0.000 . 3.890 3.527 2.319 3.860 . 0 0 "[ . 1 . 2]" 1
454 1 66 LEU HB3 1 67 LYS H 0.000 . 3.890 2.539 2.436 2.794 . 0 0 "[ . 1 . 2]" 1
455 1 66 LEU MD1 1 67 LYS H 0.000 . 6.470 3.000 2.579 4.362 . 0 0 "[ . 1 . 2]" 1
456 1 66 LEU MD1 1 69 HIS H 0.000 . 4.920 4.702 4.539 4.839 . 0 0 "[ . 1 . 2]" 1
457 1 66 LEU MD1 1 69 HIS HD2 0.000 . 4.420 4.064 2.668 4.439 0.019 8 0 "[ . 1 . 2]" 1
458 1 66 LEU MD1 1 70 PHE QD 0.000 . 7.870 3.538 3.243 4.124 . 0 0 "[ . 1 . 2]" 1
459 1 66 LEU MD1 1 70 PHE QE 0.000 . 6.850 2.042 1.788 2.861 . 0 0 "[ . 1 . 2]" 1
460 1 66 LEU MD1 1 70 PHE HZ 0.000 . 4.300 2.195 2.026 2.399 . 0 0 "[ . 1 . 2]" 1
461 1 66 LEU MD2 1 67 LYS H 0.000 . 6.530 3.941 3.880 4.061 . 0 0 "[ . 1 . 2]" 1
462 1 66 LEU HG 1 67 LYS H 0.000 . 4.350 4.567 4.523 4.620 0.270 19 0 "[ . 1 . 2]" 1
463 1 66 LEU HG 1 70 PHE QD 0.000 . 6.720 5.937 5.111 6.239 . 0 0 "[ . 1 . 2]" 1
464 1 66 LEU HG 1 70 PHE QE 0.000 . 5.850 4.071 3.202 4.331 . 0 0 "[ . 1 . 2]" 1
465 1 66 LEU HG 1 70 PHE HZ 0.000 . 3.480 3.723 3.558 3.792 0.312 9 0 "[ . 1 . 2]" 1
466 1 67 LYS H 1 67 LYS QB 0.000 . 3.500 2.427 2.226 2.609 . 0 0 "[ . 1 . 2]" 1
467 1 67 LYS H 1 67 LYS HG2 0.000 . 4.940 3.711 2.204 4.615 . 0 0 "[ . 1 . 2]" 1
468 1 67 LYS H 1 67 LYS QG 0.000 . 4.400 3.156 2.179 4.068 . 0 0 "[ . 1 . 2]" 1
469 1 67 LYS H 1 67 LYS HG3 0.000 . 4.940 3.744 2.258 4.614 . 0 0 "[ . 1 . 2]" 1
470 1 67 LYS H 1 68 THR H 0.000 . 3.360 2.849 2.765 2.984 . 0 0 "[ . 1 . 2]" 1
471 1 67 LYS H 1 70 PHE QD 0.000 . 7.620 4.806 3.924 5.206 . 0 0 "[ . 1 . 2]" 1
472 1 67 LYS H 1 70 PHE QE 0.000 . 7.620 4.430 4.145 4.741 . 0 0 "[ . 1 . 2]" 1
473 1 67 LYS HA 1 67 LYS QD 0.000 . 4.580 3.867 2.059 4.560 . 0 0 "[ . 1 . 2]" 1
474 1 67 LYS HA 1 67 LYS QE 0.000 . 6.260 4.378 1.788 5.043 . 0 0 "[ . 1 . 2]" 1
475 1 67 LYS HA 1 67 LYS HG2 0.000 . 3.890 3.023 2.419 3.737 . 0 0 "[ . 1 . 2]" 1
476 1 67 LYS HA 1 67 LYS QG 0.000 . 3.510 2.645 2.332 3.365 . 0 0 "[ . 1 . 2]" 1
477 1 67 LYS HA 1 67 LYS HG3 0.000 . 3.890 3.131 2.517 3.889 . 0 0 "[ . 1 . 2]" 1
478 1 67 LYS HA 1 70 PHE H 0.000 . 3.450 3.347 2.975 3.522 0.072 14 0 "[ . 1 . 2]" 1
479 1 67 LYS HA 1 70 PHE QB 0.000 . 4.210 3.738 2.895 4.179 . 0 0 "[ . 1 . 2]" 1
480 1 67 LYS HA 1 70 PHE QD 0.000 . 6.910 2.308 2.101 2.702 . 0 0 "[ . 1 . 2]" 1
481 1 67 LYS HA 1 70 PHE QE 0.000 . 7.620 3.083 2.528 4.119 . 0 0 "[ . 1 . 2]" 1
482 1 67 LYS QB 1 67 LYS QG 0.000 . 2.480 2.069 1.998 2.095 . 0 0 "[ . 1 . 2]" 1
483 1 67 LYS QB 1 68 THR H 0.000 . 4.360 2.785 2.502 3.578 . 0 0 "[ . 1 . 2]" 1
484 1 67 LYS QB 1 69 HIS H 0.000 . 5.050 4.640 4.476 4.958 . 0 0 "[ . 1 . 2]" 1
485 1 67 LYS HG2 1 68 THR H 0.000 . 5.500 4.131 2.571 5.164 . 0 0 "[ . 1 . 2]" 1
486 1 67 LYS HG3 1 68 THR H 0.000 . 5.500 4.413 2.592 5.076 . 0 0 "[ . 1 . 2]" 1
487 1 68 THR H 1 68 THR HB 0.000 . 2.960 2.501 2.368 2.655 . 0 0 "[ . 1 . 2]" 1
488 1 68 THR H 1 69 HIS H 0.000 . 3.300 2.550 2.455 2.667 . 0 0 "[ . 1 . 2]" 1
489 1 68 THR HA 1 68 THR HB 0.000 . 2.830 2.987 2.976 2.994 0.164 3 0 "[ . 1 . 2]" 1
490 1 68 THR HA 1 68 THR MG 0.000 . 3.710 2.414 2.322 2.487 . 0 0 "[ . 1 . 2]" 1
491 1 68 THR HA 1 69 HIS H 0.000 . 3.550 3.451 3.412 3.523 . 0 0 "[ . 1 . 2]" 1
492 1 68 THR HA 1 71 ARG H 0.000 . 3.860 3.549 3.052 3.866 0.006 3 0 "[ . 1 . 2]" 1
493 1 68 THR HA 1 71 ARG QB 0.000 . 4.980 3.351 2.156 4.104 . 0 0 "[ . 1 . 2]" 1
494 1 68 THR HA 1 71 ARG QD 0.000 . 4.980 3.022 1.919 5.121 0.141 11 0 "[ . 1 . 2]" 1
495 1 68 THR HA 1 71 ARG HG2 0.000 . 4.720 3.124 1.961 4.649 . 0 0 "[ . 1 . 2]" 1
496 1 68 THR HA 1 71 ARG QG 0.000 . 4.140 2.426 1.887 4.134 . 0 0 "[ . 1 . 2]" 1
497 1 68 THR HA 1 71 ARG HG3 0.000 . 4.720 2.934 2.088 4.631 . 0 0 "[ . 1 . 2]" 1
498 1 68 THR HB 1 69 HIS H 0.000 . 3.330 2.719 2.534 2.839 . 0 0 "[ . 1 . 2]" 1
499 1 68 THR MG 1 69 HIS H 0.000 . 5.600 3.638 3.418 3.760 . 0 0 "[ . 1 . 2]" 1
500 1 69 HIS H 1 69 HIS HB2 0.000 . 3.330 2.784 2.692 2.866 . 0 0 "[ . 1 . 2]" 1
501 1 69 HIS H 1 69 HIS HB3 0.000 . 3.330 2.295 2.253 2.341 . 0 0 "[ . 1 . 2]" 1
502 1 69 HIS H 1 70 PHE H 0.000 . 3.520 2.789 2.709 2.894 . 0 0 "[ . 1 . 2]" 1
503 1 69 HIS H 1 71 ARG H 0.000 . 4.100 4.091 3.889 4.200 0.100 3 0 "[ . 1 . 2]" 1
504 1 69 HIS QB 1 69 HIS HD2 0.000 . 3.480 2.654 2.615 2.686 . 0 0 "[ . 1 . 2]" 1
505 1 69 HIS QB 1 70 PHE H 0.000 . 5.300 3.105 2.860 3.206 . 0 0 "[ . 1 . 2]" 1
506 1 69 HIS HD2 1 70 PHE QD 0.000 . 5.640 3.014 2.809 3.187 . 0 0 "[ . 1 . 2]" 1
507 1 69 HIS HD2 1 70 PHE QE 0.000 . 6.380 2.531 2.290 2.822 . 0 0 "[ . 1 . 2]" 1
508 1 69 HIS HE1 1 75 HIS QB 0.000 . 4.300 4.640 4.576 4.704 0.404 13 0 "[ . 1 . 2]" 1
509 1 70 PHE H 1 70 PHE QB 0.000 . 3.560 2.754 2.699 2.852 . 0 0 "[ . 1 . 2]" 1
510 1 70 PHE H 1 70 PHE QE 0.000 . 7.370 4.532 4.417 4.688 . 0 0 "[ . 1 . 2]" 1
511 1 70 PHE H 1 71 ARG H 0.000 . 3.450 2.481 2.149 2.707 . 0 0 "[ . 1 . 2]" 1
512 1 70 PHE HA 1 71 ARG H 0.000 . 3.580 3.222 3.098 3.426 . 0 0 "[ . 1 . 2]" 1
513 1 70 PHE HA 1 75 HIS HB2 0.000 . 5.500 4.585 4.046 4.960 . 0 0 "[ . 1 . 2]" 1
514 1 70 PHE HA 1 75 HIS QB 0.000 . 5.020 3.464 2.975 3.727 . 0 0 "[ . 1 . 2]" 1
515 1 70 PHE HA 1 75 HIS HB3 0.000 . 5.500 3.587 3.061 3.856 . 0 0 "[ . 1 . 2]" 1
516 1 70 PHE HA 1 75 HIS HD2 0.000 . 3.050 2.599 2.249 2.783 . 0 0 "[ . 1 . 2]" 1
517 1 70 PHE QB 1 71 ARG H 0.000 . 4.490 3.534 2.881 3.694 . 0 0 "[ . 1 . 2]" 1
518 1 70 PHE QB 1 75 HIS HD2 0.000 . 3.620 3.727 3.670 3.774 0.154 17 0 "[ . 1 . 2]" 1
519 1 70 PHE QD 1 75 HIS HE1 0.000 . 6.100 5.535 5.333 5.674 . 0 0 "[ . 1 . 2]" 1
520 1 70 PHE QE 1 75 HIS HE1 0.000 . 5.480 5.576 5.510 5.636 0.156 17 0 "[ . 1 . 2]" 1
521 1 71 ARG H 1 71 ARG HB2 0.000 . 3.640 2.511 2.145 3.670 0.030 9 0 "[ . 1 . 2]" 1
522 1 71 ARG H 1 71 ARG QB 0.000 . 3.270 2.404 2.050 2.537 . 0 0 "[ . 1 . 2]" 1
523 1 71 ARG H 1 71 ARG HB3 0.000 . 3.640 3.475 2.402 3.664 0.024 4 0 "[ . 1 . 2]" 1
524 1 71 ARG H 1 71 ARG QD 0.000 . 6.260 3.869 2.346 4.546 . 0 0 "[ . 1 . 2]" 1
525 1 71 ARG H 1 71 ARG HG2 0.000 . 4.230 3.184 2.346 4.304 0.074 12 0 "[ . 1 . 2]" 1
526 1 71 ARG H 1 71 ARG HG3 0.000 . 4.230 3.337 2.277 4.330 0.100 11 0 "[ . 1 . 2]" 1
527 1 71 ARG H 1 72 SER H 0.000 . 3.170 2.518 2.372 2.630 . 0 0 "[ . 1 . 2]" 1
528 1 71 ARG HA 1 71 ARG HG2 0.000 . 3.980 2.869 2.420 3.820 . 0 0 "[ . 1 . 2]" 1
529 1 71 ARG HA 1 71 ARG QG 0.000 . 3.790 2.656 2.310 3.365 . 0 0 "[ . 1 . 2]" 1
530 1 71 ARG HA 1 71 ARG HG3 0.000 . 3.980 3.339 2.441 3.774 . 0 0 "[ . 1 . 2]" 1
531 1 71 ARG QB 1 72 SER H 0.000 . 3.910 3.185 2.639 3.718 . 0 0 "[ . 1 . 2]" 1
532 1 71 ARG HB2 1 72 SER H 0.000 . 4.290 3.438 2.831 4.199 . 0 0 "[ . 1 . 2]" 1
533 1 71 ARG HB3 1 72 SER H 0.000 . 4.290 3.961 2.711 4.303 0.013 14 0 "[ . 1 . 2]" 1
534 1 72 SER H 1 72 SER QB 0.000 . 3.720 2.427 2.198 2.754 . 0 0 "[ . 1 . 2]" 1
535 1 72 SER H 1 73 LYS H 0.000 . 4.450 4.250 4.119 4.431 . 0 0 "[ . 1 . 2]" 1
536 1 72 SER HA 1 73 LYS H 0.000 . 3.330 2.164 2.115 2.245 . 0 0 "[ . 1 . 2]" 1
537 1 72 SER QB 1 75 HIS H 0.000 . 5.110 3.088 2.796 3.584 . 0 0 "[ . 1 . 2]" 1
538 1 73 LYS H 1 73 LYS HB2 0.000 . 3.860 3.205 2.296 3.712 . 0 0 "[ . 1 . 2]" 1
539 1 73 LYS H 1 73 LYS QB 0.000 . 3.690 2.497 2.137 2.794 . 0 0 "[ . 1 . 2]" 1
540 1 73 LYS H 1 73 LYS HB3 0.000 . 3.860 2.791 2.375 3.602 . 0 0 "[ . 1 . 2]" 1
541 1 73 LYS H 1 74 ASP H 0.000 . 3.950 2.684 2.561 2.819 . 0 0 "[ . 1 . 2]" 1
542 1 73 LYS HA 1 73 LYS HB2 0.000 . 2.650 2.545 2.442 2.897 0.247 4 0 "[ . 1 . 2]" 1
543 1 73 LYS HA 1 73 LYS QB 0.000 . 2.400 2.233 2.158 2.367 . 0 0 "[ . 1 . 2]" 1
544 1 73 LYS HA 1 73 LYS HB3 0.000 . 2.650 2.514 2.321 2.910 0.260 19 0 "[ . 1 . 2]" 1
545 1 73 LYS HA 1 73 LYS QG 0.000 . 3.720 3.135 2.309 3.576 . 0 0 "[ . 1 . 2]" 1
546 1 73 LYS HA 1 76 LYS H 0.000 . 3.790 3.438 3.036 3.750 . 0 0 "[ . 1 . 2]" 1
547 1 73 LYS HA 1 76 LYS QB 0.000 . 3.590 3.213 2.682 3.597 0.007 12 0 "[ . 1 . 2]" 1
548 1 73 LYS HA 1 76 LYS QD 0.000 . 5.700 4.121 2.231 5.459 . 0 0 "[ . 1 . 2]" 1
549 1 73 LYS QB 1 74 ASP H 0.000 . 4.090 3.259 2.390 3.734 . 0 0 "[ . 1 . 2]" 1
550 1 74 ASP H 1 74 ASP HB2 0.000 . 3.300 2.469 2.266 2.588 . 0 0 "[ . 1 . 2]" 1
551 1 74 ASP H 1 74 ASP QB 0.000 . 3.080 2.244 2.196 2.405 . 0 0 "[ . 1 . 2]" 1
552 1 74 ASP H 1 74 ASP HB3 0.000 . 3.300 2.665 2.456 3.465 0.165 17 0 "[ . 1 . 2]" 1
553 1 74 ASP H 1 75 HIS H 0.000 . 3.550 2.564 2.324 2.734 . 0 0 "[ . 1 . 2]" 1
554 1 74 ASP HA 1 74 ASP HB2 0.000 . 2.990 2.543 2.399 3.006 0.016 6 0 "[ . 1 . 2]" 1
555 1 74 ASP HA 1 74 ASP HB3 0.000 . 2.990 2.925 2.404 3.018 0.028 10 0 "[ . 1 . 2]" 1
556 1 74 ASP HA 1 77 LYS H 0.000 . 3.890 3.626 3.337 3.849 . 0 0 "[ . 1 . 2]" 1
557 1 74 ASP HA 1 77 LYS QB 0.000 . 3.810 2.345 2.162 2.705 . 0 0 "[ . 1 . 2]" 1
558 1 74 ASP HA 1 77 LYS QD 0.000 . 4.830 3.514 1.978 4.856 0.026 15 0 "[ . 1 . 2]" 1
559 1 74 ASP QB 1 77 LYS QB 0.000 . 5.530 4.110 3.679 4.439 . 0 0 "[ . 1 . 2]" 1
560 1 74 ASP HB2 1 75 HIS H 0.000 . 3.760 3.661 2.689 3.869 0.109 16 0 "[ . 1 . 2]" 1
561 1 74 ASP HB2 1 77 LYS HB2 0.000 . 6.570 5.731 5.351 6.266 . 0 0 "[ . 1 . 2]" 1
562 1 74 ASP HB2 1 77 LYS HB3 0.000 . 6.570 4.847 4.644 5.194 . 0 0 "[ . 1 . 2]" 1
563 1 74 ASP HB3 1 75 HIS H 0.000 . 3.760 2.791 2.460 3.762 0.002 6 0 "[ . 1 . 2]" 1
564 1 74 ASP HB3 1 77 LYS HB2 0.000 . 6.570 6.026 5.204 6.577 0.007 8 0 "[ . 1 . 2]" 1
565 1 74 ASP HB3 1 77 LYS HB3 0.000 . 6.570 4.868 3.987 5.327 . 0 0 "[ . 1 . 2]" 1
566 1 75 HIS H 1 75 HIS HB2 0.000 . 3.330 2.669 2.564 2.753 . 0 0 "[ . 1 . 2]" 1
567 1 75 HIS H 1 75 HIS QB 0.000 . 3.150 2.339 2.251 2.406 . 0 0 "[ . 1 . 2]" 1
568 1 75 HIS H 1 75 HIS HB3 0.000 . 3.330 2.589 2.493 2.699 . 0 0 "[ . 1 . 2]" 1
569 1 75 HIS H 1 76 LYS H 0.000 . 3.270 2.623 2.499 2.786 . 0 0 "[ . 1 . 2]" 1
570 1 75 HIS HA 1 78 ARG H 0.000 . 3.140 3.271 3.173 3.339 0.199 11 0 "[ . 1 . 2]" 1
571 1 75 HIS HA 1 78 ARG HB2 0.000 . 3.420 3.068 2.159 3.449 0.029 1 0 "[ . 1 . 2]" 1
572 1 75 HIS HA 1 78 ARG QB 0.000 . 3.050 2.654 2.142 2.974 . 0 0 "[ . 1 . 2]" 1
573 1 75 HIS HA 1 78 ARG HB3 0.000 . 3.420 3.011 2.373 3.555 0.135 18 0 "[ . 1 . 2]" 1
574 1 75 HIS QB 1 75 HIS HD2 0.000 . 3.580 2.421 2.375 2.473 . 0 0 "[ . 1 . 2]" 1
575 1 75 HIS QB 1 76 LYS H 0.000 . 3.490 2.249 2.116 2.386 . 0 0 "[ . 1 . 2]" 1
576 1 75 HIS HB2 1 76 LYS H 0.000 . 3.670 3.655 3.540 3.732 0.062 19 0 "[ . 1 . 2]" 1
577 1 75 HIS HB3 1 76 LYS H 0.000 . 3.670 2.270 2.133 2.414 . 0 0 "[ . 1 . 2]" 1
578 1 75 HIS HD2 1 76 LYS HA 0.000 . 5.500 4.996 4.659 5.301 . 0 0 "[ . 1 . 2]" 1
579 1 75 HIS HD2 1 76 LYS HG2 0.000 . 3.670 3.860 3.820 3.890 0.220 2 0 "[ . 1 . 2]" 1
580 1 75 HIS HD2 1 76 LYS QG 0.000 . 3.380 3.414 3.381 3.451 0.071 16 0 "[ . 1 . 2]" 1
581 1 75 HIS HD2 1 76 LYS HG3 0.000 . 3.670 3.805 3.754 3.870 0.200 16 0 "[ . 1 . 2]" 1
582 1 75 HIS HD2 1 79 LEU MD1 0.000 . 4.700 4.186 3.349 4.829 0.129 8 0 "[ . 1 . 2]" 1
583 1 75 HIS HD2 1 79 LEU QD 0.000 . 4.360 3.881 3.280 4.256 . 0 0 "[ . 1 . 2]" 1
584 1 75 HIS HD2 1 79 LEU MD2 0.000 . 4.700 4.683 4.263 4.824 0.124 5 0 "[ . 1 . 2]" 1
585 1 75 HIS HE1 1 79 LEU MD1 0.000 . 4.760 3.574 2.701 4.819 0.059 19 0 "[ . 1 . 2]" 1
586 1 75 HIS HE1 1 79 LEU QD 0.000 . 4.240 3.017 2.669 3.489 . 0 0 "[ . 1 . 2]" 1
587 1 75 HIS HE1 1 79 LEU MD2 0.000 . 4.760 3.940 2.733 4.779 0.019 18 0 "[ . 1 . 2]" 1
588 1 76 LYS H 1 76 LYS QD 0.000 . 5.420 3.979 3.526 4.386 . 0 0 "[ . 1 . 2]" 1
589 1 76 LYS H 1 76 LYS HG2 0.000 . 4.350 3.217 3.117 3.334 . 0 0 "[ . 1 . 2]" 1
590 1 76 LYS H 1 76 LYS QG 0.000 . 4.110 2.155 1.959 2.428 . 0 0 "[ . 1 . 2]" 1
591 1 76 LYS H 1 76 LYS HG3 0.000 . 4.350 2.192 1.980 2.494 . 0 0 "[ . 1 . 2]" 1
592 1 76 LYS H 1 77 LYS H 0.000 . 3.390 2.482 2.386 2.579 . 0 0 "[ . 1 . 2]" 1
593 1 76 LYS HA 1 76 LYS HG2 0.000 . 3.550 2.550 2.406 2.614 . 0 0 "[ . 1 . 2]" 1
594 1 76 LYS HA 1 76 LYS HG3 0.000 . 3.550 3.178 3.064 3.252 . 0 0 "[ . 1 . 2]" 1
595 1 76 LYS HA 1 79 LEU H 0.000 . 3.760 3.027 2.743 3.350 . 0 0 "[ . 1 . 2]" 1
596 1 76 LYS HA 1 79 LEU HB2 0.000 . 3.920 2.392 2.115 2.709 . 0 0 "[ . 1 . 2]" 1
597 1 76 LYS HA 1 79 LEU QB 0.000 . 3.680 2.359 1.936 2.665 . 0 0 "[ . 1 . 2]" 1
598 1 76 LYS HA 1 79 LEU HB3 0.000 . 3.920 3.809 2.188 3.985 0.065 12 0 "[ . 1 . 2]" 1
599 1 76 LYS HA 1 79 LEU QD 0.000 . 6.520 2.177 1.929 2.764 . 0 0 "[ . 1 . 2]" 1
600 1 76 LYS QE 1 77 LYS H 0.000 . 5.260 4.856 4.072 5.341 0.081 16 0 "[ . 1 . 2]" 1
601 1 76 LYS QG 1 77 LYS H 0.000 . 5.080 4.049 3.881 4.286 . 0 0 "[ . 1 . 2]" 1
602 1 76 LYS HG2 1 77 LYS H 0.000 . 5.500 4.974 4.881 5.068 . 0 0 "[ . 1 . 2]" 1
603 1 76 LYS HG3 1 77 LYS H 0.000 . 5.500 4.292 4.074 4.625 . 0 0 "[ . 1 . 2]" 1
604 1 77 LYS H 1 77 LYS QB 0.000 . 3.400 2.187 2.018 2.277 . 0 0 "[ . 1 . 2]" 1
605 1 77 LYS H 1 77 LYS QD 0.000 . 5.510 4.378 3.939 4.763 . 0 0 "[ . 1 . 2]" 1
606 1 77 LYS H 1 77 LYS HG2 0.000 . 5.070 4.341 4.134 4.553 . 0 0 "[ . 1 . 2]" 1
607 1 77 LYS H 1 77 LYS QG 0.000 . 4.730 3.878 3.803 3.921 . 0 0 "[ . 1 . 2]" 1
608 1 77 LYS H 1 77 LYS HG3 0.000 . 5.070 4.386 4.181 4.512 . 0 0 "[ . 1 . 2]" 1
609 1 77 LYS H 1 78 ARG H 0.000 . 3.330 2.738 2.536 2.843 . 0 0 "[ . 1 . 2]" 1
610 1 77 LYS HA 1 77 LYS QB 0.000 . 2.650 2.307 2.246 2.344 . 0 0 "[ . 1 . 2]" 1
611 1 77 LYS HA 1 77 LYS QD 0.000 . 4.490 3.539 2.179 4.290 . 0 0 "[ . 1 . 2]" 1
612 1 77 LYS HA 1 77 LYS HG2 0.000 . 3.920 3.349 2.997 3.905 . 0 0 "[ . 1 . 2]" 1
613 1 77 LYS HA 1 77 LYS QG 0.000 . 3.720 2.639 2.404 3.008 . 0 0 "[ . 1 . 2]" 1
614 1 77 LYS HA 1 77 LYS HG3 0.000 . 3.920 2.766 2.518 3.127 . 0 0 "[ . 1 . 2]" 1
615 1 77 LYS HA 1 78 ARG H 0.000 . 3.610 3.598 3.551 3.655 0.045 14 0 "[ . 1 . 2]" 1
616 1 77 LYS HA 1 80 LYS H 0.000 . 3.670 3.329 3.079 3.656 . 0 0 "[ . 1 . 2]" 1
617 1 77 LYS QG 1 78 ARG H 0.000 . 5.760 3.285 2.914 3.525 . 0 0 "[ . 1 . 2]" 1
618 1 77 LYS QG 1 79 LEU H 0.000 . 4.670 4.813 4.779 4.856 0.186 17 0 "[ . 1 . 2]" 1
619 1 78 ARG H 1 78 ARG HB2 0.000 . 3.420 2.326 2.054 2.545 . 0 0 "[ . 1 . 2]" 1
620 1 78 ARG H 1 78 ARG QB 0.000 . 3.130 2.151 2.009 2.239 . 0 0 "[ . 1 . 2]" 1
621 1 78 ARG H 1 78 ARG HB3 0.000 . 3.420 2.622 2.316 3.455 0.035 18 0 "[ . 1 . 2]" 1
622 1 78 ARG H 1 78 ARG HD2 0.000 . 5.500 4.742 3.992 5.612 0.112 14 0 "[ . 1 . 2]" 1
623 1 78 ARG H 1 78 ARG HD3 0.000 . 5.500 4.587 3.837 4.949 . 0 0 "[ . 1 . 2]" 1
624 1 78 ARG H 1 78 ARG HG2 0.000 . 5.280 4.396 2.532 4.619 . 0 0 "[ . 1 . 2]" 1
625 1 78 ARG H 1 78 ARG QG 0.000 . 4.570 3.911 2.490 4.048 . 0 0 "[ . 1 . 2]" 1
626 1 78 ARG H 1 78 ARG HG3 0.000 . 5.280 4.421 3.686 4.632 . 0 0 "[ . 1 . 2]" 1
627 1 78 ARG H 1 79 LEU H 0.000 . 3.420 2.561 2.450 2.780 . 0 0 "[ . 1 . 2]" 1
628 1 78 ARG HA 1 78 ARG QB 0.000 . 2.640 2.419 2.286 2.506 . 0 0 "[ . 1 . 2]" 1
629 1 78 ARG HA 1 78 ARG HD2 0.000 . 3.670 2.748 1.968 3.816 0.146 17 0 "[ . 1 . 2]" 1
630 1 78 ARG HA 1 78 ARG HD3 0.000 . 3.670 2.829 1.995 3.657 . 0 0 "[ . 1 . 2]" 1
631 1 78 ARG QB 1 79 LEU H 0.000 . 3.600 2.658 2.428 2.778 . 0 0 "[ . 1 . 2]" 1
632 1 78 ARG HB2 1 79 LEU H 0.000 . 3.890 3.740 2.757 3.970 0.080 19 0 "[ . 1 . 2]" 1
633 1 78 ARG HB3 1 79 LEU H 0.000 . 3.890 2.751 2.467 3.397 . 0 0 "[ . 1 . 2]" 1
634 1 78 ARG QD 1 82 LEU QD 0.000 . 7.260 4.127 2.544 5.781 . 0 0 "[ . 1 . 2]" 1
635 1 78 ARG HD2 1 82 LEU MD1 0.000 . 9.020 4.837 2.654 7.424 . 0 0 "[ . 1 . 2]" 1
636 1 78 ARG HD2 1 82 LEU MD2 0.000 . 9.020 5.638 3.560 8.042 . 0 0 "[ . 1 . 2]" 1
637 1 78 ARG HD3 1 82 LEU MD1 0.000 . 9.020 5.509 3.007 8.627 . 0 0 "[ . 1 . 2]" 1
638 1 78 ARG HD3 1 82 LEU MD2 0.000 . 9.020 6.169 4.125 9.024 0.004 18 0 "[ . 1 . 2]" 1
639 1 78 ARG QG 1 79 LEU H 0.000 . 5.450 4.057 3.512 4.543 . 0 0 "[ . 1 . 2]" 1
640 1 78 ARG QG 1 82 LEU QD 0.000 . 8.140 3.747 2.246 5.780 . 0 0 "[ . 1 . 2]" 1
641 1 79 LEU H 1 79 LEU HB2 0.000 . 3.330 2.243 2.044 2.465 . 0 0 "[ . 1 . 2]" 1
642 1 79 LEU H 1 79 LEU HB3 0.000 . 3.330 3.412 2.311 3.522 0.192 20 0 "[ . 1 . 2]" 1
643 1 79 LEU H 1 79 LEU MD1 0.000 . 5.380 2.934 2.268 3.775 . 0 0 "[ . 1 . 2]" 1
644 1 79 LEU H 1 79 LEU MD2 0.000 . 5.380 3.585 2.954 3.981 . 0 0 "[ . 1 . 2]" 1
645 1 79 LEU H 1 79 LEU HG 0.000 . 3.830 3.272 2.141 4.093 0.263 8 0 "[ . 1 . 2]" 1
646 1 79 LEU H 1 80 LYS H 0.000 . 3.360 2.488 2.351 2.601 . 0 0 "[ . 1 . 2]" 1
647 1 79 LEU HA 1 79 LEU HG 0.000 . 4.170 2.794 2.384 3.313 . 0 0 "[ . 1 . 2]" 1
648 1 79 LEU HA 1 82 LEU H 0.000 . 3.610 3.310 2.902 3.621 0.011 8 0 "[ . 1 . 2]" 1
649 1 79 LEU HA 1 82 LEU HB2 0.000 . 3.790 2.928 2.212 3.809 0.019 1 0 "[ . 1 . 2]" 1
650 1 79 LEU HA 1 82 LEU QB 0.000 . 3.530 2.428 1.995 2.821 . 0 0 "[ . 1 . 2]" 1
651 1 79 LEU HA 1 82 LEU HB3 0.000 . 3.790 2.900 2.071 3.868 0.078 9 0 "[ . 1 . 2]" 1
652 1 79 LEU HA 1 82 LEU QD 0.000 . 6.450 2.860 2.032 4.067 . 0 0 "[ . 1 . 2]" 1
653 1 79 LEU HB2 1 80 LYS H 0.000 . 3.580 2.724 2.339 3.610 0.030 8 0 "[ . 1 . 2]" 1
654 1 79 LEU HB3 1 80 LYS H 0.000 . 3.580 3.413 2.408 3.621 0.041 10 0 "[ . 1 . 2]" 1
655 1 79 LEU QD 1 80 LYS H 0.000 . 6.070 3.952 3.816 4.127 . 0 0 "[ . 1 . 2]" 1
656 1 79 LEU MD1 1 80 LYS H 0.000 . 6.370 4.315 4.071 4.617 . 0 0 "[ . 1 . 2]" 1
657 1 79 LEU MD2 1 80 LYS H 0.000 . 6.370 4.635 4.101 4.902 . 0 0 "[ . 1 . 2]" 1
658 1 79 LEU HG 1 80 LYS H 0.000 . 5.000 4.657 3.856 5.074 0.074 4 0 "[ . 1 . 2]" 1
659 1 80 LYS H 1 80 LYS QB 0.000 . 3.500 2.355 2.178 2.645 . 0 0 "[ . 1 . 2]" 1
660 1 80 LYS H 1 80 LYS QD 0.000 . 5.980 4.171 2.222 4.852 . 0 0 "[ . 1 . 2]" 1
661 1 80 LYS H 1 80 LYS HG2 0.000 . 4.570 3.893 2.215 4.596 0.026 6 0 "[ . 1 . 2]" 1
662 1 80 LYS H 1 80 LYS QG 0.000 . 4.320 3.289 2.181 4.029 . 0 0 "[ . 1 . 2]" 1
663 1 80 LYS H 1 80 LYS HG3 0.000 . 4.570 3.765 2.224 4.516 . 0 0 "[ . 1 . 2]" 1
664 1 80 LYS H 1 81 GLN H 0.000 . 3.300 2.620 2.452 2.808 . 0 0 "[ . 1 . 2]" 1
665 1 80 LYS HA 1 80 LYS QD 0.000 . 4.580 3.671 2.053 4.551 . 0 0 "[ . 1 . 2]" 1
666 1 80 LYS HA 1 80 LYS HG2 0.000 . 4.100 3.152 2.471 3.834 . 0 0 "[ . 1 . 2]" 1
667 1 80 LYS HA 1 80 LYS QG 0.000 . 3.940 2.657 2.313 3.375 . 0 0 "[ . 1 . 2]" 1
668 1 80 LYS HA 1 80 LYS HG3 0.000 . 4.100 2.989 2.437 3.828 . 0 0 "[ . 1 . 2]" 1
669 1 80 LYS QB 1 81 GLN H 0.000 . 4.460 2.693 2.263 3.650 . 0 0 "[ . 1 . 2]" 1
670 1 80 LYS QG 1 81 GLN H 0.000 . 6.260 3.702 2.008 4.726 . 0 0 "[ . 1 . 2]" 1
671 1 81 GLN H 1 81 GLN QB 0.000 . 3.640 2.424 2.012 2.662 . 0 0 "[ . 1 . 2]" 1
672 1 81 GLN H 1 81 GLN HG2 0.000 . 4.070 2.944 2.054 4.141 0.071 9 0 "[ . 1 . 2]" 1
673 1 81 GLN H 1 81 GLN QG 0.000 . 3.910 2.432 2.033 3.721 . 0 0 "[ . 1 . 2]" 1
674 1 81 GLN H 1 81 GLN HG3 0.000 . 4.070 3.185 2.080 4.221 0.151 5 0 "[ . 1 . 2]" 1
675 1 81 GLN HA 1 81 GLN QB 0.000 . 2.690 2.322 2.148 2.407 . 0 0 "[ . 1 . 2]" 1
676 1 81 GLN HA 1 81 GLN QE 0.000 . 4.880 4.211 2.422 5.178 0.298 3 0 "[ . 1 . 2]" 1
677 1 81 GLN HA 1 81 GLN HG2 0.000 . 3.700 3.018 2.449 3.725 0.025 16 0 "[ . 1 . 2]" 1
678 1 81 GLN HA 1 81 GLN QG 0.000 . 3.500 2.793 2.378 3.322 . 0 0 "[ . 1 . 2]" 1
679 1 81 GLN HA 1 81 GLN HG3 0.000 . 3.700 3.426 2.473 3.756 0.056 13 0 "[ . 1 . 2]" 1
680 1 81 GLN HA 1 83 SER H 0.000 . 4.100 3.953 3.541 4.218 0.118 11 0 "[ . 1 . 2]" 1
681 1 82 LEU H 1 82 LEU HB2 0.000 . 3.270 2.365 2.057 2.539 . 0 0 "[ . 1 . 2]" 1
682 1 82 LEU H 1 82 LEU HB3 0.000 . 3.270 2.670 2.347 3.449 0.179 16 0 "[ . 1 . 2]" 1
683 1 82 LEU HA 1 82 LEU HB2 0.000 . 2.800 2.599 2.442 2.936 0.136 16 0 "[ . 1 . 2]" 1
684 1 82 LEU HA 1 82 LEU QB 0.000 . 2.600 2.376 2.330 2.426 . 0 0 "[ . 1 . 2]" 1
685 1 82 LEU HA 1 82 LEU HB3 0.000 . 2.800 2.857 2.493 2.968 0.168 2 0 "[ . 1 . 2]" 1
686 1 82 LEU HA 1 83 SER H 0.000 . 3.610 3.438 3.350 3.533 . 0 0 "[ . 1 . 2]" 1
687 1 82 LEU QB 1 83 SER H 0.000 . 3.810 2.748 2.505 3.053 . 0 0 "[ . 1 . 2]" 1
688 1 82 LEU HB2 1 83 SER H 0.000 . 4.140 3.679 2.656 4.145 0.005 14 0 "[ . 1 . 2]" 1
689 1 82 LEU HB3 1 83 SER H 0.000 . 4.140 3.038 2.538 4.026 . 0 0 "[ . 1 . 2]" 1
690 1 82 LEU QD 1 83 SER H 0.000 . 7.790 3.884 3.328 4.305 . 0 0 "[ . 1 . 2]" 1
691 1 83 SER H 1 83 SER QB 0.000 . 3.580 2.843 2.414 3.482 . 0 0 "[ . 1 . 2]" 1
692 1 83 SER HA 1 83 SER QB 0.000 . 2.720 2.362 2.200 2.409 . 0 0 "[ . 1 . 2]" 1
693 1 83 SER HA 1 84 VAL H 0.000 . 3.580 2.705 2.057 3.541 . 0 0 "[ . 1 . 2]" 1
694 1 83 SER QB 1 84 VAL H 0.000 . 4.360 3.081 2.191 4.051 . 0 0 "[ . 1 . 2]" 1
695 1 84 VAL H 1 84 VAL HB 0.000 . 3.330 2.735 2.498 3.502 0.172 17 0 "[ . 1 . 2]" 1
696 1 84 VAL H 1 85 GLU H 0.000 . 3.730 2.448 1.973 3.252 . 0 0 "[ . 1 . 2]" 1
697 1 84 VAL HA 1 84 VAL HB 0.000 . 2.960 2.940 2.483 3.042 0.082 4 0 "[ . 1 . 2]" 1
698 1 84 VAL HB 1 85 GLU H 0.000 . 3.480 2.611 1.756 3.556 0.076 12 0 "[ . 1 . 2]" 1
699 1 84 VAL QG 1 85 GLU H 0.000 . 6.480 2.955 1.827 3.615 . 0 0 "[ . 1 . 2]" 1
700 1 85 GLU H 1 85 GLU HB2 0.000 . 3.730 2.994 2.442 3.796 0.066 1 0 "[ . 1 . 2]" 1
701 1 85 GLU H 1 85 GLU QB 0.000 . 3.480 2.720 2.243 3.208 . 0 0 "[ . 1 . 2]" 1
702 1 85 GLU H 1 85 GLU HB3 0.000 . 3.730 3.389 2.483 3.763 0.033 15 0 "[ . 1 . 2]" 1
703 1 86 PRO HA 1 87 TYR H 0.000 . 2.740 2.373 2.044 2.875 0.135 15 0 "[ . 1 . 2]" 1
704 1 86 PRO QB 1 87 TYR H 0.000 . 4.170 3.344 1.840 3.982 . 0 0 "[ . 1 . 2]" 1
705 1 86 PRO QG 1 87 TYR H 0.000 . 5.250 4.432 3.220 4.987 . 0 0 "[ . 1 . 2]" 1
706 1 87 TYR H 1 87 TYR QB 0.000 . 3.450 2.763 2.177 3.396 . 0 0 "[ . 1 . 2]" 1
707 1 87 TYR HA 1 87 TYR QB 0.000 . 2.740 2.364 2.178 2.505 . 0 0 "[ . 1 . 2]" 1
708 1 87 TYR HA 1 88 SER H 0.000 . 3.050 2.304 1.991 3.290 0.240 6 0 "[ . 1 . 2]" 1
709 1 87 TYR QB 1 88 SER H 0.000 . 3.650 3.155 2.214 3.790 0.140 20 0 "[ . 1 . 2]" 1
710 1 87 TYR QB 1 91 GLU QB 0.000 . 6.040 4.301 1.876 6.114 0.074 16 0 "[ . 1 . 2]" 1
711 1 87 TYR QB 1 92 ALA MB 0.000 . 7.130 4.859 1.842 7.152 0.022 12 0 "[ . 1 . 2]" 1
712 1 87 TYR QD 1 88 SER H 0.000 . 6.340 3.698 2.335 4.608 . 0 0 "[ . 1 . 2]" 1
713 1 87 TYR QD 1 91 GLU QB 0.000 . 6.940 3.663 2.032 5.719 . 0 0 "[ . 1 . 2]" 1
714 1 87 TYR QD 1 92 ALA MB 0.000 . 7.680 4.497 2.300 6.686 . 0 0 "[ . 1 . 2]" 1
715 1 87 TYR QE 1 91 GLU QB 0.000 . 7.020 4.179 1.904 7.028 0.008 3 0 "[ . 1 . 2]" 1
716 1 87 TYR QE 1 92 ALA MB 0.000 . 7.140 4.945 1.888 7.206 0.066 8 0 "[ . 1 . 2]" 1
717 1 88 SER H 1 88 SER QB 0.000 . 3.820 2.549 2.234 3.453 . 0 0 "[ . 1 . 2]" 1
718 1 88 SER H 1 89 GLN H 0.000 . 4.070 4.001 2.512 4.273 0.203 5 0 "[ . 1 . 2]" 1
719 1 88 SER H 1 91 GLU QB 0.000 . 4.580 3.927 2.742 4.641 0.061 10 0 "[ . 1 . 2]" 1
720 1 88 SER HA 1 89 GLN H 0.000 . 3.140 2.391 2.055 3.362 0.222 18 0 "[ . 1 . 2]" 1
721 1 89 GLN H 1 89 GLN QB 0.000 . 3.650 2.578 2.295 3.204 . 0 0 "[ . 1 . 2]" 1
722 1 89 GLN H 1 89 GLN QG 0.000 . 5.110 3.899 2.670 4.528 . 0 0 "[ . 1 . 2]" 1
723 1 89 GLN HA 1 89 GLN QG 0.000 . 3.750 2.678 2.323 3.582 . 0 0 "[ . 1 . 2]" 1
724 1 89 GLN HA 1 90 GLU H 0.000 . 2.930 2.497 2.009 3.221 0.291 2 0 "[ . 1 . 2]" 1
725 1 89 GLN HA 1 92 ALA MB 0.000 . 4.330 3.614 2.026 4.535 0.205 20 0 "[ . 1 . 2]" 1
726 1 89 GLN QG 1 90 GLU H 0.000 . 6.160 3.702 1.628 4.580 . 0 0 "[ . 1 . 2]" 1
727 1 89 GLN QG 1 93 GLU H 0.000 . 5.050 4.629 3.791 5.132 0.082 11 0 "[ . 1 . 2]" 1
728 1 90 GLU H 1 90 GLU QB 0.000 . 3.500 2.891 2.376 3.378 . 0 0 "[ . 1 . 2]" 1
729 1 90 GLU H 1 91 GLU H 0.000 . 3.270 2.467 1.681 3.415 0.145 19 0 "[ . 1 . 2]" 1
730 1 90 GLU HA 1 91 GLU H 0.000 . 3.390 3.147 2.157 3.495 0.105 13 0 "[ . 1 . 2]" 1
731 1 91 GLU H 1 91 GLU QB 0.000 . 3.340 2.578 2.175 3.037 . 0 0 "[ . 1 . 2]" 1
732 1 91 GLU HA 1 91 GLU QB 0.000 . 2.660 2.360 2.160 2.434 . 0 0 "[ . 1 . 2]" 1
733 1 91 GLU QB 1 92 ALA H 0.000 . 4.050 2.826 1.764 4.057 0.007 8 0 "[ . 1 . 2]" 1
734 1 92 ALA HA 1 93 GLU H 0.000 . 2.740 2.474 2.081 3.163 0.423 6 0 "[ . 1 . 2]" 1
735 1 92 ALA MB 1 94 ARG H 0.000 . 6.530 4.220 2.261 5.726 . 0 0 "[ . 1 . 2]" 1
736 1 93 GLU H 1 93 GLU HA 0.000 . 2.860 2.651 2.121 2.926 0.066 5 0 "[ . 1 . 2]" 1
737 1 93 GLU H 1 93 GLU QB 0.000 . 3.480 2.780 2.261 3.472 . 0 0 "[ . 1 . 2]" 1
738 1 93 GLU H 1 93 GLU QG 0.000 . 3.930 3.235 2.158 4.219 0.289 1 0 "[ . 1 . 2]" 1
739 1 93 GLU H 1 94 ARG H 0.000 . 3.170 2.667 1.832 3.233 0.063 3 0 "[ . 1 . 2]" 1
740 1 93 GLU HA 1 93 GLU QB 0.000 . 2.600 2.366 2.177 2.444 . 0 0 "[ . 1 . 2]" 1
741 1 93 GLU HA 1 93 GLU QG 0.000 . 3.590 2.543 2.201 3.371 . 0 0 "[ . 1 . 2]" 1
742 1 93 GLU QB 1 94 ARG H 0.000 . 4.300 3.281 1.880 3.992 . 0 0 "[ . 1 . 2]" 1
743 1 93 GLU QG 1 94 ARG H 0.000 . 6.380 3.939 2.307 4.740 . 0 0 "[ . 1 . 2]" 1
744 1 94 ARG H 1 94 ARG QB 0.000 . 3.550 2.703 2.223 3.365 . 0 0 "[ . 1 . 2]" 1
745 1 94 ARG QB 1 95 ALA H 0.000 . 4.330 3.501 2.456 4.048 . 0 0 "[ . 1 . 2]" 1
746 1 95 ALA H 1 95 ALA HA 0.000 . 2.930 2.815 2.230 2.938 0.008 1 0 "[ . 1 . 2]" 1
747 1 95 ALA H 1 96 ALA H 0.000 . 3.210 2.670 2.077 3.265 0.055 17 0 "[ . 1 . 2]" 1
748 1 96 ALA H 1 97 GLY H 0.000 . 3.170 2.829 1.708 3.321 0.151 4 0 "[ . 1 . 2]" 1
749 1 96 ALA HA 1 97 GLY H 0.000 . 3.390 2.656 2.009 3.484 0.094 19 0 "[ . 1 . 2]" 1
750 1 97 GLY H 1 97 GLY QA 0.000 . 2.590 2.341 2.202 2.479 . 0 0 "[ . 1 . 2]" 1
751 1 98 MET H 1 98 MET QB 0.000 . 3.830 2.772 2.195 3.377 . 0 0 "[ . 1 . 2]" 1
752 1 99 GLY H 1 100 SER H 0.000 . 3.760 2.911 1.854 3.828 0.068 16 0 "[ . 1 . 2]" 1
753 1 100 SER H 1 100 SER QB 0.000 . 3.760 2.755 2.371 3.388 . 0 0 "[ . 1 . 2]" 1
754 1 100 SER HA 1 100 SER QB 0.000 . 2.600 2.267 2.179 2.358 . 0 0 "[ . 1 . 2]" 1
755 1 100 SER HA 1 101 TYR H 0.000 . 3.050 2.213 2.102 2.601 . 0 0 "[ . 1 . 2]" 1
756 1 101 TYR H 1 101 TYR HB2 0.000 . 3.300 3.039 2.118 3.510 0.210 18 0 "[ . 1 . 2]" 1
757 1 101 TYR H 1 101 TYR QB 0.000 . 3.080 2.577 2.099 2.917 . 0 0 "[ . 1 . 2]" 1
758 1 101 TYR H 1 101 TYR HB3 0.000 . 3.300 2.911 2.361 3.463 0.163 15 0 "[ . 1 . 2]" 1
759 1 101 TYR HA 1 102 VAL H 0.000 . 2.860 2.173 1.908 2.517 . 0 0 "[ . 1 . 2]" 1
760 1 101 TYR QB 1 102 VAL H 0.000 . 3.640 3.441 2.113 3.724 0.084 14 0 "[ . 1 . 2]" 1
761 1 101 TYR HB2 1 102 VAL H 0.000 . 4.100 3.912 2.131 4.253 0.153 6 0 "[ . 1 . 2]" 1
762 1 101 TYR HB3 1 102 VAL H 0.000 . 4.100 3.931 2.984 4.171 0.071 2 0 "[ . 1 . 2]" 1
763 1 102 VAL H 1 102 VAL HB 0.000 . 3.140 2.910 2.551 3.303 0.163 8 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 10:10:55 AM GMT (wattos1)