NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441252 |
2kaj   |
16024 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kaj
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 4
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 90.727
_Distance_constraint_stats_list.Viol_max 0.235
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2268
_Distance_constraint_stats_list.Viol_average_violations_only 0.2268
_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 39 CYS 2.317 0.235 3 0 "[ . 1]"
1 44 CYS 2.202 0.224 10 0 "[ . 1]"
1 47 CYS 2.306 0.235 9 0 "[ . 1]"
1 77 CYS 2.248 0.228 1 0 "[ . 1]"
2 1 GA 9.073 0.235 3 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 39 CYS SG 2 1 GA GA . . 2.200 2.432 2.428 2.435 0.235 3 0 "[ . 1]" 1
2 1 44 CYS SG 2 1 GA GA . . 2.200 2.420 2.415 2.424 0.224 10 0 "[ . 1]" 1
3 1 47 CYS SG 2 1 GA GA . . 2.200 2.431 2.424 2.435 0.235 9 0 "[ . 1]" 1
4 1 77 CYS SG 2 1 GA GA . . 2.200 2.425 2.422 2.428 0.228 1 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2116
_Distance_constraint_stats_list.Viol_count 1002
_Distance_constraint_stats_list.Viol_total 176.303
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0176
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.120 0.115 9 0 "[ . 1]"
1 2 SER 0.001 0.001 6 0 "[ . 1]"
1 3 TYR 0.788 0.173 9 0 "[ . 1]"
1 4 THR 0.368 0.173 9 0 "[ . 1]"
1 5 VAL 0.032 0.007 6 0 "[ . 1]"
1 6 LYS 0.000 0.000 . 0 "[ . 1]"
1 7 LEU 0.066 0.010 9 0 "[ . 1]"
1 8 ILE 0.412 0.029 2 0 "[ . 1]"
1 9 THR 0.478 0.029 2 0 "[ . 1]"
1 10 PRO 0.038 0.012 10 0 "[ . 1]"
1 11 ASP 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.153 0.026 9 0 "[ . 1]"
1 13 GLU 0.213 0.026 9 0 "[ . 1]"
1 14 SER 0.041 0.006 5 0 "[ . 1]"
1 15 SER 0.017 0.013 5 0 "[ . 1]"
1 16 ILE 0.084 0.013 5 0 "[ . 1]"
1 17 GLU 0.007 0.007 7 0 "[ . 1]"
1 18 CYS 0.083 0.013 9 0 "[ . 1]"
1 19 SER 0.022 0.022 5 0 "[ . 1]"
1 20 ASP 0.004 0.001 8 0 "[ . 1]"
1 21 ASP 0.123 0.015 1 0 "[ . 1]"
1 22 THR 0.412 0.045 8 0 "[ . 1]"
1 23 TYR 0.046 0.011 5 0 "[ . 1]"
1 24 ILE 0.093 0.015 10 0 "[ . 1]"
1 25 LEU 0.292 0.055 5 0 "[ . 1]"
1 26 ASP 0.099 0.055 5 0 "[ . 1]"
1 27 ALA 0.106 0.013 9 0 "[ . 1]"
1 28 ALA 0.022 0.008 1 0 "[ . 1]"
1 29 GLU 0.045 0.011 8 0 "[ . 1]"
1 30 GLU 0.009 0.005 9 0 "[ . 1]"
1 31 ALA 0.029 0.007 5 0 "[ . 1]"
1 32 GLY 0.352 0.101 8 0 "[ . 1]"
1 33 LEU 0.363 0.054 8 0 "[ . 1]"
1 34 ASP 0.958 0.101 8 0 "[ . 1]"
1 35 LEU 0.515 0.087 9 0 "[ . 1]"
1 36 PRO 0.180 0.051 10 0 "[ . 1]"
1 37 TYR 0.738 0.092 1 0 "[ . 1]"
1 38 SER 1.213 0.114 10 0 "[ . 1]"
1 39 CYS 0.043 0.027 9 0 "[ . 1]"
1 40 ARG 1.018 0.061 10 0 "[ . 1]"
1 41 ALA 0.859 0.097 4 0 "[ . 1]"
1 42 GLY 1.907 0.126 10 0 "[ . 1]"
1 43 ALA 0.770 0.097 4 0 "[ . 1]"
1 44 CYS 0.603 0.093 5 0 "[ . 1]"
1 45 SER 0.399 0.067 5 0 "[ . 1]"
1 46 THR 1.445 0.114 10 0 "[ . 1]"
1 47 CYS 0.497 0.092 1 0 "[ . 1]"
1 48 ALA 1.891 0.119 10 0 "[ . 1]"
1 49 GLY 0.199 0.023 1 0 "[ . 1]"
1 50 LYS 0.278 0.061 6 0 "[ . 1]"
1 51 ILE 0.725 0.041 3 0 "[ . 1]"
1 52 THR 0.217 0.022 6 0 "[ . 1]"
1 53 ALA 0.263 0.033 6 0 "[ . 1]"
1 54 GLY 0.049 0.020 4 0 "[ . 1]"
1 55 SER 0.438 0.068 9 0 "[ . 1]"
1 56 VAL 1.531 0.080 4 0 "[ . 1]"
1 57 ASP 0.461 0.053 4 0 "[ . 1]"
1 58 GLN 0.673 0.066 10 0 "[ . 1]"
1 59 SER 0.063 0.014 5 0 "[ . 1]"
1 60 ASP 0.001 0.001 8 0 "[ . 1]"
1 61 GLN 0.152 0.042 6 0 "[ . 1]"
1 62 SER 0.192 0.048 10 0 "[ . 1]"
1 63 PHE 0.566 0.044 10 0 "[ . 1]"
1 64 LEU 0.271 0.031 9 0 "[ . 1]"
1 65 ASP 0.038 0.009 3 0 "[ . 1]"
1 66 ASP 0.010 0.006 10 0 "[ . 1]"
1 67 ASP 0.092 0.018 6 0 "[ . 1]"
1 68 GLN 0.246 0.034 10 0 "[ . 1]"
1 69 ILE 0.224 0.027 10 0 "[ . 1]"
1 70 GLU 0.147 0.020 5 0 "[ . 1]"
1 71 ALA 0.011 0.005 3 0 "[ . 1]"
1 72 GLY 0.116 0.026 5 0 "[ . 1]"
1 73 TYR 0.343 0.026 5 0 "[ . 1]"
1 74 VAL 0.909 0.061 6 0 "[ . 1]"
1 75 LEU 1.567 0.126 10 0 "[ . 1]"
1 76 THR 0.499 0.036 10 0 "[ . 1]"
1 77 CYS 0.909 0.119 10 0 "[ . 1]"
1 78 VAL 0.165 0.047 8 0 "[ . 1]"
1 79 ALA 1.082 0.080 4 0 "[ . 1]"
1 80 TYR 0.710 0.053 4 0 "[ . 1]"
1 81 PRO 0.000 0.000 . 0 "[ . 1]"
1 82 THR 0.000 0.000 . 0 "[ . 1]"
1 83 SER 0.136 0.026 6 0 "[ . 1]"
1 84 ASP 0.115 0.036 6 0 "[ . 1]"
1 85 CYS 0.205 0.029 8 0 "[ . 1]"
1 86 THR 0.166 0.022 6 0 "[ . 1]"
1 87 ILE 0.082 0.015 9 0 "[ . 1]"
1 88 GLU 0.463 0.040 8 0 "[ . 1]"
1 89 THR 0.104 0.023 10 0 "[ . 1]"
1 90 HIS 0.244 0.031 10 0 "[ . 1]"
1 91 LYS 0.122 0.023 5 0 "[ . 1]"
1 92 GLU 0.356 0.078 10 0 "[ . 1]"
1 93 GLU 0.141 0.037 10 0 "[ . 1]"
1 94 ASP 0.060 0.020 6 0 "[ . 1]"
1 95 LEU 0.461 0.037 10 0 "[ . 1]"
1 96 TYR 0.511 0.141 8 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 22 THR HA 1 80 TYR QE . . 4.500 3.272 3.209 3.398 . 0 0 "[ . 1]" 2
2 1 68 GLN HA 1 73 TYR QD . . 3.430 2.503 1.998 2.905 . 0 0 "[ . 1]" 2
3 1 50 LYS HB2 1 73 TYR QD . . 3.280 2.653 2.346 3.170 . 0 0 "[ . 1]" 2
4 1 71 ALA MB 1 73 TYR QD . . 3.520 2.604 2.361 2.859 . 0 0 "[ . 1]" 2
5 1 63 PHE QE 1 95 LEU MD2 . . 4.430 3.868 3.340 4.140 . 0 0 "[ . 1]" 2
6 1 63 PHE QE 1 95 LEU MD1 . . 4.430 1.994 1.885 2.359 . 0 0 "[ . 1]" 2
7 1 37 TYR QD 1 40 ARG HD2 . . 4.730 4.484 4.128 4.765 0.035 8 0 "[ . 1]" 2
8 1 37 TYR QD 1 40 ARG HB2 . . 4.460 3.762 3.666 3.864 . 0 0 "[ . 1]" 2
9 1 25 LEU HG 1 37 TYR QD . . 5.330 4.142 3.668 4.445 . 0 0 "[ . 1]" 2
10 1 25 LEU MD2 1 37 TYR QD . . 3.570 2.758 2.429 3.073 . 0 0 "[ . 1]" 2
11 1 25 LEU MD1 1 37 TYR QD . . 3.530 2.381 2.138 2.654 . 0 0 "[ . 1]" 2
12 1 29 GLU HG2 1 37 TYR QE . . 4.860 4.509 3.982 4.813 . 0 0 "[ . 1]" 2
13 1 1 ALA MB 1 3 TYR QE . . 3.660 3.110 2.357 3.775 0.115 9 0 "[ . 1]" 2
14 1 8 ILE HB 1 9 THR H . . 4.010 4.029 4.019 4.039 0.029 2 0 "[ . 1]" 2
15 1 37 TYR QD 1 40 ARG HB3 . . 4.100 2.055 1.969 2.190 . 0 0 "[ . 1]" 2
16 1 58 GLN HA 1 80 TYR QE . . 5.250 4.290 4.184 4.387 . 0 0 "[ . 1]" 2
17 1 8 ILE H 1 86 THR HA . . 5.500 4.783 4.663 5.030 . 0 0 "[ . 1]" 2
18 1 7 LEU HA 1 87 ILE H . . 4.150 3.779 3.512 3.907 . 0 0 "[ . 1]" 2
19 1 3 TYR H 1 84 ASP HA . . 5.500 5.508 5.478 5.536 0.036 6 0 "[ . 1]" 2
20 1 3 TYR QD 1 84 ASP HA . . 4.890 4.035 3.849 4.202 . 0 0 "[ . 1]" 2
21 1 79 ALA HA 1 80 TYR QE . . 5.370 5.313 5.217 5.390 0.020 8 0 "[ . 1]" 2
22 1 49 GLY H 1 73 TYR HA . . 5.000 3.634 3.194 3.896 . 0 0 "[ . 1]" 2
23 1 3 TYR HA 1 3 TYR QE . . 4.810 4.511 4.473 4.616 . 0 0 "[ . 1]" 2
24 1 50 LYS HA 1 73 TYR QD . . 4.960 2.736 2.572 2.849 . 0 0 "[ . 1]" 2
25 1 4 THR HA 1 18 CYS H . . 4.580 4.316 4.185 4.487 . 0 0 "[ . 1]" 2
26 1 89 THR HB 1 90 HIS HE1 . . 4.250 3.978 3.823 4.147 . 0 0 "[ . 1]" 2
27 1 75 LEU HA 1 77 CYS H . . 4.440 3.476 3.416 3.542 . 0 0 "[ . 1]" 2
28 1 48 ALA H 1 75 LEU HA . . 5.100 3.735 3.399 3.911 . 0 0 "[ . 1]" 2
29 1 23 TYR HA 1 26 ASP H . . 5.280 4.674 4.551 4.911 . 0 0 "[ . 1]" 2
30 1 23 TYR HA 1 23 TYR QD . . 3.570 2.706 2.565 2.988 . 0 0 "[ . 1]" 2
31 1 35 LEU HA 1 90 HIS HE1 . . 3.550 3.500 3.163 3.561 0.011 1 0 "[ . 1]" 2
32 1 35 LEU HA 1 90 HIS HD1 . . 5.260 4.693 4.375 4.881 . 0 0 "[ . 1]" 2
33 1 90 HIS HA 1 90 HIS HE1 . . 5.500 5.051 4.956 5.147 . 0 0 "[ . 1]" 2
34 1 90 HIS HA 1 90 HIS HD1 . . 3.830 3.262 3.094 3.427 . 0 0 "[ . 1]" 2
35 1 9 THR HB 1 90 HIS HD1 . . 5.500 4.291 4.011 4.466 . 0 0 "[ . 1]" 2
36 1 89 THR HA 1 90 HIS HD1 . . 5.500 3.947 3.892 4.058 . 0 0 "[ . 1]" 2
37 1 50 LYS H 1 89 THR HA . . 5.020 4.588 4.367 4.702 . 0 0 "[ . 1]" 2
38 1 82 THR HB 1 83 SER H . . 4.630 3.566 3.160 4.200 . 0 0 "[ . 1]" 2
39 1 67 ASP HA 1 71 ALA H . . 4.790 4.321 3.692 4.641 . 0 0 "[ . 1]" 2
40 1 96 TYR HA 1 96 TYR QD . . 3.690 3.034 2.005 3.664 . 0 0 "[ . 1]" 2
41 1 45 SER HA 1 48 ALA H . . 4.310 3.116 3.015 3.399 . 0 0 "[ . 1]" 2
42 1 45 SER HA 1 47 CYS H . . 3.890 3.602 3.526 3.705 . 0 0 "[ . 1]" 2
43 1 25 LEU H 1 77 CYS HA . . 3.710 3.526 3.323 3.700 . 0 0 "[ . 1]" 2
44 1 23 TYR QD 1 77 CYS HA . . 5.260 4.616 4.502 4.760 . 0 0 "[ . 1]" 2
45 1 3 TYR QD 1 82 THR HA . . 5.500 4.150 3.903 4.429 . 0 0 "[ . 1]" 2
46 1 63 PHE QD 1 64 LEU HA . . 4.100 2.704 2.563 2.837 . 0 0 "[ . 1]" 2
47 1 37 TYR HA 1 46 THR H . . 5.490 5.332 5.163 5.507 0.017 6 0 "[ . 1]" 2
48 1 71 ALA HA 1 73 TYR H . . 5.170 4.799 4.778 4.825 . 0 0 "[ . 1]" 2
49 1 37 TYR QE 1 38 SER HA . . 4.770 4.327 4.171 4.546 . 0 0 "[ . 1]" 2
50 1 71 ALA HA 1 73 TYR QE . . 5.500 5.083 4.872 5.264 . 0 0 "[ . 1]" 2
51 1 68 GLN HA 1 71 ALA H . . 4.090 3.680 3.509 3.856 . 0 0 "[ . 1]" 2
52 1 68 GLN HA 1 73 TYR QE . . 4.410 3.749 3.230 4.276 . 0 0 "[ . 1]" 2
53 1 22 THR HB 1 80 TYR QE . . 5.500 5.510 5.503 5.528 0.028 5 0 "[ . 1]" 2
54 1 38 SER H 1 40 ARG HA . . 4.750 4.598 4.495 4.665 . 0 0 "[ . 1]" 2
55 1 40 ARG HA 1 77 CYS H . . 5.500 5.017 4.869 5.147 . 0 0 "[ . 1]" 2
56 1 37 TYR QD 1 40 ARG HA . . 4.710 3.927 3.865 4.073 . 0 0 "[ . 1]" 2
57 1 70 GLU HA 1 72 GLY H . . 4.700 4.187 4.030 4.311 . 0 0 "[ . 1]" 2
58 1 46 THR HA 1 48 ALA H . . 5.070 3.968 3.686 4.100 . 0 0 "[ . 1]" 2
59 1 44 CYS HA 1 46 THR H . . 5.250 4.188 4.136 4.290 . 0 0 "[ . 1]" 2
60 1 44 CYS HA 1 63 PHE QD . . 3.920 2.921 2.270 3.764 . 0 0 "[ . 1]" 2
61 1 69 ILE HA 1 72 GLY H . . 4.560 3.497 3.210 3.664 . 0 0 "[ . 1]" 2
62 1 44 CYS HA 1 63 PHE QE . . 4.930 4.049 3.613 4.578 . 0 0 "[ . 1]" 2
63 1 86 THR HB 1 87 ILE H . . 4.710 4.479 4.467 4.489 . 0 0 "[ . 1]" 2
64 1 95 LEU HA 1 96 TYR QD . . 5.260 4.956 4.259 5.262 0.002 4 0 "[ . 1]" 2
65 1 42 GLY HA2 1 44 CYS H . . 5.220 3.841 3.789 3.964 . 0 0 "[ . 1]" 2
66 1 24 ILE H 1 76 THR HB . . 5.070 4.487 4.172 4.677 . 0 0 "[ . 1]" 2
67 1 25 LEU H 1 76 THR HB . . 3.830 3.095 2.815 3.350 . 0 0 "[ . 1]" 2
68 1 76 THR H 1 76 THR HB . . 4.130 3.618 3.614 3.625 . 0 0 "[ . 1]" 2
69 1 25 LEU HA 1 27 ALA H . . 5.040 4.514 4.115 4.921 . 0 0 "[ . 1]" 2
70 1 93 GLU HA 1 96 TYR QD . . 3.980 3.236 2.499 3.570 . 0 0 "[ . 1]" 2
71 1 4 THR HB 1 5 VAL H . . 4.960 4.203 4.086 4.324 . 0 0 "[ . 1]" 2
72 1 38 SER H 1 38 SER HB2 . . 4.080 3.243 2.811 3.572 . 0 0 "[ . 1]" 2
73 1 46 THR HB 1 47 CYS H . . 4.260 3.977 3.776 4.143 . 0 0 "[ . 1]" 2
74 1 92 GLU HA 1 96 TYR QD . . 5.500 4.926 4.223 5.530 0.030 5 0 "[ . 1]" 2
75 1 15 SER HB3 1 16 ILE H . . 4.790 4.192 3.665 4.358 . 0 0 "[ . 1]" 2
76 1 47 CYS HB3 1 48 ALA H . . 5.150 4.256 4.169 4.359 . 0 0 "[ . 1]" 2
77 1 24 ILE H 1 76 THR HA . . 5.000 4.045 3.909 4.266 . 0 0 "[ . 1]" 2
78 1 25 LEU H 1 76 THR HA . . 4.500 4.012 3.829 4.109 . 0 0 "[ . 1]" 2
79 1 10 PRO HD3 1 90 HIS HE1 . . 4.450 4.438 4.351 4.462 0.012 10 0 "[ . 1]" 2
80 1 3 TYR H 1 83 SER HA . . 5.500 5.370 4.854 5.504 0.004 2 0 "[ . 1]" 2
81 1 82 THR H 1 83 SER HA . . 5.500 5.313 5.291 5.327 . 0 0 "[ . 1]" 2
82 1 45 SER HB2 1 96 TYR QE . . 5.500 4.141 3.422 5.160 . 0 0 "[ . 1]" 2
83 1 45 SER HB3 1 96 TYR QE . . 5.500 3.520 2.163 4.448 . 0 0 "[ . 1]" 2
84 1 45 SER HB2 1 63 PHE QE . . 4.940 2.992 2.534 3.854 . 0 0 "[ . 1]" 2
85 1 45 SER HB3 1 63 PHE QE . . 4.940 3.221 2.811 3.819 . 0 0 "[ . 1]" 2
86 1 45 SER HB2 1 63 PHE HZ . . 5.440 3.574 2.948 3.989 . 0 0 "[ . 1]" 2
87 1 45 SER HB3 1 63 PHE HZ . . 5.440 3.302 2.861 3.985 . 0 0 "[ . 1]" 2
88 1 36 PRO HD3 1 90 HIS HE1 . . 3.960 2.399 2.226 2.535 . 0 0 "[ . 1]" 2
89 1 36 PRO HD3 1 90 HIS HD1 . . 4.520 3.010 2.660 3.152 . 0 0 "[ . 1]" 2
90 1 23 TYR QD 1 78 VAL HA . . 3.640 2.044 1.991 2.275 . 0 0 "[ . 1]" 2
91 1 10 PRO HD2 1 90 HIS HE1 . . 4.450 3.394 3.301 3.461 . 0 0 "[ . 1]" 2
92 1 57 ASP HB3 1 80 TYR H . . 5.080 3.575 3.366 3.816 . 0 0 "[ . 1]" 2
93 1 57 ASP HB3 1 80 TYR QD . . 5.250 2.067 2.053 2.079 . 0 0 "[ . 1]" 2
94 1 26 ASP H 1 26 ASP HB3 . . 3.550 3.113 2.748 3.509 . 0 0 "[ . 1]" 2
95 1 73 TYR QD 1 94 ASP HB3 . . 5.480 4.605 4.216 4.904 . 0 0 "[ . 1]" 2
96 1 36 PRO HD2 1 90 HIS HD1 . . 4.150 3.670 3.557 3.805 . 0 0 "[ . 1]" 2
97 1 44 CYS H 1 63 PHE HB3 . . 4.890 3.912 3.677 4.108 . 0 0 "[ . 1]" 2
98 1 40 ARG H 1 77 CYS HB3 . . 4.830 3.511 3.356 3.632 . 0 0 "[ . 1]" 2
99 1 73 TYR QD 1 94 ASP HB2 . . 5.480 4.437 4.192 4.749 . 0 0 "[ . 1]" 2
100 1 68 GLN HG3 1 73 TYR QE . . 5.240 4.284 3.744 5.031 . 0 0 "[ . 1]" 2
101 1 23 TYR H 1 23 TYR HB2 . . 4.060 2.689 2.667 2.716 . 0 0 "[ . 1]" 2
102 1 50 LYS HE2 1 73 TYR QE . . 5.360 4.969 4.404 5.289 . 0 0 "[ . 1]" 2
103 1 68 GLN HB2 1 73 TYR QD . . 5.500 4.604 4.082 4.994 . 0 0 "[ . 1]" 2
104 1 68 GLN HB3 1 73 TYR QD . . 5.500 3.338 2.728 3.677 . 0 0 "[ . 1]" 2
105 1 58 GLN HB3 1 58 GLN HE22 . . 5.120 4.390 4.022 4.570 . 0 0 "[ . 1]" 2
106 1 23 TYR QD 1 78 VAL HB . . 4.990 4.336 4.261 4.504 . 0 0 "[ . 1]" 2
107 1 78 VAL HB 1 79 ALA H . . 5.290 4.371 4.355 4.382 . 0 0 "[ . 1]" 2
108 1 28 ALA H 1 30 GLU HB3 . . 5.270 4.689 4.541 4.854 . 0 0 "[ . 1]" 2
109 1 3 TYR HB2 1 85 CYS H . . 5.500 5.395 5.076 5.509 0.009 7 0 "[ . 1]" 2
110 1 3 TYR HB2 1 83 SER H . . 5.330 4.463 4.329 4.575 . 0 0 "[ . 1]" 2
111 1 13 GLU HG3 1 14 SER H . . 5.290 4.780 4.531 4.893 . 0 0 "[ . 1]" 2
112 1 63 PHE QE 1 68 GLN HG2 . . 4.910 3.319 3.124 3.642 . 0 0 "[ . 1]" 2
113 1 68 GLN HG2 1 73 TYR QD . . 5.500 4.356 3.756 5.122 . 0 0 "[ . 1]" 2
114 1 88 GLU HB3 1 89 THR H . . 4.030 3.786 3.720 3.935 . 0 0 "[ . 1]" 2
115 1 13 GLU HG2 1 14 SER H . . 5.290 4.335 4.034 4.880 . 0 0 "[ . 1]" 2
116 1 5 VAL HB 1 16 ILE H . . 4.670 3.475 3.202 3.865 . 0 0 "[ . 1]" 2
117 1 24 ILE HG13 1 25 LEU H . . 5.270 4.377 4.300 4.474 . 0 0 "[ . 1]" 2
118 1 3 TYR QD 1 81 PRO HB2 . . 5.450 5.192 4.896 5.404 . 0 0 "[ . 1]" 2
119 1 13 GLU HB2 1 14 SER H . . 4.600 4.402 4.297 4.550 . 0 0 "[ . 1]" 2
120 1 6 LYS HB3 1 7 LEU H . . 5.000 4.085 3.967 4.330 . 0 0 "[ . 1]" 2
121 1 36 PRO HG3 1 90 HIS HD1 . . 4.270 2.962 2.764 3.134 . 0 0 "[ . 1]" 2
122 1 63 PHE QD 1 64 LEU HG . . 3.920 3.107 2.141 3.629 . 0 0 "[ . 1]" 2
123 1 10 PRO HG3 1 90 HIS HD1 . . 4.930 4.718 4.561 4.926 . 0 0 "[ . 1]" 2
124 1 50 LYS HB2 1 73 TYR QE . . 3.300 2.634 2.316 3.185 . 0 0 "[ . 1]" 2
125 1 71 ALA MB 1 73 TYR QE . . 3.520 2.432 2.275 2.620 . 0 0 "[ . 1]" 2
126 1 27 ALA MB 1 29 GLU H . . 5.290 5.155 5.034 5.301 0.011 8 0 "[ . 1]" 2
127 1 71 ALA H 1 71 ALA MB . . 2.890 2.181 2.060 2.235 . 0 0 "[ . 1]" 2
128 1 74 VAL HB 1 75 LEU H . . 4.250 3.197 3.109 3.354 . 0 0 "[ . 1]" 2
129 1 95 LEU HB3 1 96 TYR QD . . 5.210 4.197 3.885 4.525 . 0 0 "[ . 1]" 2
130 1 63 PHE HZ 1 95 LEU HB3 . . 5.470 3.881 3.276 4.650 . 0 0 "[ . 1]" 2
131 1 35 LEU HG 1 90 HIS HD1 . . 5.500 4.231 4.046 4.435 . 0 0 "[ . 1]" 2
132 1 95 LEU HB3 1 96 TYR QE . . 5.140 4.580 3.833 5.132 . 0 0 "[ . 1]" 2
133 1 31 ALA MB 1 33 LEU H . . 3.740 3.244 2.925 3.740 . 0 0 "[ . 1]" 2
134 1 33 LEU H 1 33 LEU HG . . 4.080 3.670 2.253 4.101 0.021 4 0 "[ . 1]" 2
135 1 35 LEU HG 1 90 HIS HE1 . . 4.860 4.497 4.276 4.724 . 0 0 "[ . 1]" 2
136 1 36 PRO HG2 1 90 HIS HD1 . . 4.270 4.251 4.102 4.301 0.031 10 0 "[ . 1]" 2
137 1 28 ALA H 1 33 LEU HB2 . . 5.500 4.902 4.639 5.261 . 0 0 "[ . 1]" 2
138 1 75 LEU MD2 1 77 CYS H . . 5.500 3.992 3.852 4.141 . 0 0 "[ . 1]" 2
139 1 44 CYS H 1 75 LEU MD2 . . 5.070 3.583 3.368 3.722 . 0 0 "[ . 1]" 2
140 1 28 ALA H 1 28 ALA MB . . 2.900 2.180 2.075 2.318 . 0 0 "[ . 1]" 2
141 1 28 ALA MB 1 29 GLU H . . 3.260 2.201 2.076 2.367 . 0 0 "[ . 1]" 2
142 1 28 ALA MB 1 31 ALA H . . 5.100 4.507 4.399 4.572 . 0 0 "[ . 1]" 2
143 1 28 ALA MB 1 33 LEU H . . 4.580 3.735 3.636 3.858 . 0 0 "[ . 1]" 2
144 1 25 LEU H 1 28 ALA MB . . 4.840 4.361 4.061 4.536 . 0 0 "[ . 1]" 2
145 1 22 THR MG 1 23 TYR H . . 3.240 1.978 1.893 2.157 . 0 0 "[ . 1]" 2
146 1 22 THR H 1 22 THR MG . . 4.000 4.017 3.962 4.045 0.045 8 0 "[ . 1]" 2
147 1 22 THR MG 1 80 TYR QE . . 5.150 4.798 4.707 4.925 . 0 0 "[ . 1]" 2
148 1 22 THR MG 1 26 ASP H . . 5.130 4.594 4.286 4.888 . 0 0 "[ . 1]" 2
149 1 26 ASP H 1 28 ALA MB . . 5.410 4.600 4.234 4.773 . 0 0 "[ . 1]" 2
150 1 22 THR MG 1 23 TYR QD . . 4.610 3.581 3.169 3.778 . 0 0 "[ . 1]" 2
151 1 8 ILE HG13 1 9 THR H . . 5.500 5.381 5.351 5.410 . 0 0 "[ . 1]" 2
152 1 25 LEU HG 1 26 ASP H . . 4.620 3.698 3.449 3.889 . 0 0 "[ . 1]" 2
153 1 10 PRO HG2 1 90 HIS HE1 . . 5.130 4.499 4.422 4.631 . 0 0 "[ . 1]" 2
154 1 73 TYR QD 1 91 LYS HG3 . . 5.500 4.164 3.824 4.498 . 0 0 "[ . 1]" 2
155 1 9 THR H 1 9 THR MG . . 3.270 2.836 2.815 2.855 . 0 0 "[ . 1]" 2
156 1 9 THR MG 1 90 HIS HE1 . . 4.420 3.873 3.721 3.985 . 0 0 "[ . 1]" 2
157 1 50 LYS HD2 1 73 TYR QE . . 4.200 2.748 2.196 3.151 . 0 0 "[ . 1]" 2
158 1 50 LYS HD3 1 73 TYR QE . . 4.500 2.754 2.127 3.138 . 0 0 "[ . 1]" 2
159 1 63 PHE QD 1 64 LEU HB2 . . 4.960 4.523 4.095 4.769 . 0 0 "[ . 1]" 2
160 1 75 LEU HB2 1 76 THR H . . 5.350 4.399 4.349 4.430 . 0 0 "[ . 1]" 2
161 1 50 LYS H 1 91 LYS HG2 . . 4.800 3.537 3.168 3.875 . 0 0 "[ . 1]" 2
162 1 48 ALA H 1 48 ALA MB . . 2.840 2.130 2.060 2.220 . 0 0 "[ . 1]" 2
163 1 48 ALA MB 1 76 THR H . . 4.500 4.320 4.195 4.484 . 0 0 "[ . 1]" 2
164 1 63 PHE HZ 1 95 LEU HB2 . . 5.470 3.931 3.399 4.289 . 0 0 "[ . 1]" 2
165 1 95 LEU HB2 1 96 TYR QD . . 5.210 3.127 2.604 3.914 . 0 0 "[ . 1]" 2
166 1 95 LEU HB2 1 96 TYR QE . . 5.140 3.606 3.157 3.964 . 0 0 "[ . 1]" 2
167 1 1 ALA MB 1 3 TYR QD . . 4.730 3.931 3.599 4.374 . 0 0 "[ . 1]" 2
168 1 49 GLY H 1 76 THR MG . . 4.060 3.337 3.218 3.512 . 0 0 "[ . 1]" 2
169 1 76 THR MG 1 77 CYS H . . 4.360 4.015 3.946 4.093 . 0 0 "[ . 1]" 2
170 1 76 THR H 1 76 THR MG . . 3.060 2.202 2.030 2.404 . 0 0 "[ . 1]" 2
171 1 63 PHE QE 1 95 LEU HG . . 5.470 4.638 4.464 4.808 . 0 0 "[ . 1]" 2
172 1 82 THR MG 1 83 SER H . . 4.350 3.706 2.235 4.347 . 0 0 "[ . 1]" 2
173 1 82 THR H 1 82 THR MG . . 3.600 2.938 1.984 3.573 . 0 0 "[ . 1]" 2
174 1 89 THR MG 1 90 HIS HE1 . . 4.820 4.534 4.435 4.668 . 0 0 "[ . 1]" 2
175 1 25 LEU H 1 79 ALA MB . . 5.060 4.721 4.547 4.834 . 0 0 "[ . 1]" 2
176 1 76 THR H 1 79 ALA MB . . 4.730 4.199 4.104 4.267 . 0 0 "[ . 1]" 2
177 1 58 GLN HE21 1 69 ILE MG . . 4.370 3.078 2.253 4.372 0.002 4 0 "[ . 1]" 2
178 1 79 ALA H 1 79 ALA MB . . 3.220 2.414 2.394 2.440 . 0 0 "[ . 1]" 2
179 1 69 ILE H 1 69 ILE MG . . 3.850 3.763 3.755 3.765 . 0 0 "[ . 1]" 2
180 1 58 GLN HE22 1 69 ILE MG . . 4.370 3.086 2.738 3.828 . 0 0 "[ . 1]" 2
181 1 46 THR H 1 46 THR MG . . 4.200 2.363 2.144 2.684 . 0 0 "[ . 1]" 2
182 1 37 TYR QD 1 46 THR MG . . 4.840 4.781 4.525 4.866 0.026 10 0 "[ . 1]" 2
183 1 8 ILE MG 1 9 THR H . . 3.650 2.475 2.229 2.578 . 0 0 "[ . 1]" 2
184 1 15 SER H 1 33 LEU MD1 . . 5.500 4.357 3.826 4.551 . 0 0 "[ . 1]" 2
185 1 15 SER H 1 33 LEU MD2 . . 5.500 3.975 3.410 4.701 . 0 0 "[ . 1]" 2
186 1 50 LYS HG3 1 73 TYR QD . . 4.010 3.489 3.055 3.697 . 0 0 "[ . 1]" 2
187 1 8 ILE MD 1 9 THR H . . 5.080 3.733 3.600 3.811 . 0 0 "[ . 1]" 2
188 1 63 PHE QD 1 64 LEU MD2 . . 3.180 1.979 1.898 2.106 . 0 0 "[ . 1]" 2
189 1 63 PHE QE 1 64 LEU MD2 . . 4.410 2.955 2.324 3.332 . 0 0 "[ . 1]" 2
190 1 51 ILE H 1 51 ILE HG12 . . 5.500 4.289 4.253 4.328 . 0 0 "[ . 1]" 2
191 1 24 ILE H 1 24 ILE MG . . 4.330 3.765 3.763 3.766 . 0 0 "[ . 1]" 2
192 1 64 LEU MD1 1 75 LEU H . . 4.020 2.716 2.341 2.933 . 0 0 "[ . 1]" 2
193 1 73 TYR QD 1 74 VAL MG2 . . 5.500 5.448 5.371 5.505 0.005 9 0 "[ . 1]" 2
194 1 78 VAL MG2 1 79 ALA H . . 4.610 3.893 3.818 3.933 . 0 0 "[ . 1]" 2
195 1 58 GLN HE21 1 74 VAL MG1 . . 4.510 2.094 1.917 3.098 . 0 0 "[ . 1]" 2
196 1 58 GLN HE22 1 74 VAL MG1 . . 4.510 2.927 2.634 3.453 . 0 0 "[ . 1]" 2
197 1 25 LEU MD1 1 28 ALA H . . 5.060 4.485 4.086 4.896 . 0 0 "[ . 1]" 2
198 1 42 GLY H 1 78 VAL MG1 . . 4.190 3.453 3.378 3.558 . 0 0 "[ . 1]" 2
199 1 78 VAL H 1 78 VAL MG1 . . 3.920 3.391 3.351 3.509 . 0 0 "[ . 1]" 2
200 1 23 TYR QD 1 78 VAL MG1 . . 5.470 3.524 3.341 3.823 . 0 0 "[ . 1]" 2
201 1 37 TYR QD 1 40 ARG H . . 4.650 3.284 3.153 3.475 . 0 0 "[ . 1]" 2
202 1 48 ALA H 1 49 GLY H . . 4.870 4.627 4.611 4.638 . 0 0 "[ . 1]" 2
203 1 50 LYS H 1 51 ILE H . . 5.190 4.392 4.357 4.434 . 0 0 "[ . 1]" 2
204 1 50 LYS H 1 88 GLU H . . 3.950 3.465 3.346 3.706 . 0 0 "[ . 1]" 2
205 1 87 ILE H 1 88 GLU H . . 4.690 4.552 4.521 4.582 . 0 0 "[ . 1]" 2
206 1 7 LEU H 1 87 ILE H . . 5.500 5.324 5.030 5.449 . 0 0 "[ . 1]" 2
207 1 3 TYR H 1 18 CYS H . . 4.390 3.196 3.023 3.701 . 0 0 "[ . 1]" 2
208 1 23 TYR H 1 24 ILE H . . 4.920 4.508 4.465 4.570 . 0 0 "[ . 1]" 2
209 1 7 LEU H 1 14 SER H . . 4.260 3.877 3.640 4.230 . 0 0 "[ . 1]" 2
210 1 37 TYR QE 1 38 SER H . . 5.500 5.212 5.057 5.417 . 0 0 "[ . 1]" 2
211 1 26 ASP H 1 28 ALA H . . 4.400 3.910 3.782 4.000 . 0 0 "[ . 1]" 2
212 1 73 TYR H 1 74 VAL H . . 4.660 4.446 4.331 4.541 . 0 0 "[ . 1]" 2
213 1 25 LEU H 1 77 CYS H . . 4.940 4.918 4.813 4.954 0.014 10 0 "[ . 1]" 2
214 1 52 THR H 1 54 GLY H . . 4.820 4.692 4.125 4.840 0.020 4 0 "[ . 1]" 2
215 1 32 GLY H 1 34 ASP H . . 5.500 4.634 3.786 5.601 0.101 8 0 "[ . 1]" 2
216 1 23 TYR H 1 80 TYR QE . . 4.780 4.352 4.022 4.537 . 0 0 "[ . 1]" 2
217 1 27 ALA H 1 29 GLU H . . 5.200 4.729 4.493 5.094 . 0 0 "[ . 1]" 2
218 1 26 ASP H 1 29 GLU H . . 5.500 4.965 4.855 5.117 . 0 0 "[ . 1]" 2
219 1 57 ASP H 1 82 THR H . . 4.830 4.163 3.780 4.244 . 0 0 "[ . 1]" 2
220 1 25 LEU H 1 27 ALA H . . 4.820 4.223 4.070 4.599 . 0 0 "[ . 1]" 2
221 1 26 ASP H 1 27 ALA H . . 3.240 2.806 2.646 2.986 . 0 0 "[ . 1]" 2
222 1 73 TYR H 1 73 TYR QE . . 4.490 4.230 4.152 4.318 . 0 0 "[ . 1]" 2
223 1 42 GLY H 1 44 CYS H . . 4.500 4.556 4.533 4.593 0.093 5 0 "[ . 1]" 2
224 1 22 THR H 1 80 TYR QE . . 4.610 3.550 3.374 3.838 . 0 0 "[ . 1]" 2
225 1 22 THR H 1 80 TYR QD . . 4.490 2.373 2.254 2.623 . 0 0 "[ . 1]" 2
226 1 44 CYS H 1 63 PHE QD . . 4.890 4.315 3.951 4.675 . 0 0 "[ . 1]" 2
227 1 71 ALA H 1 72 GLY H . . 3.470 2.761 2.641 2.813 . 0 0 "[ . 1]" 2
228 1 71 ALA H 1 73 TYR QD . . 4.540 4.336 4.031 4.543 0.003 5 0 "[ . 1]" 2
229 1 55 SER H 1 83 SER H . . 4.730 4.593 4.527 4.720 . 0 0 "[ . 1]" 2
230 1 47 CYS H 1 48 ALA H . . 3.410 2.218 2.134 2.386 . 0 0 "[ . 1]" 2
231 1 49 GLY H 1 73 TYR QD . . 5.220 4.815 4.630 5.047 . 0 0 "[ . 1]" 2
232 1 73 TYR QD 1 74 VAL H . . 4.270 4.233 4.148 4.286 0.016 1 0 "[ . 1]" 2
233 1 73 TYR H 1 73 TYR QD . . 3.280 2.928 2.824 3.026 . 0 0 "[ . 1]" 2
234 1 24 ILE H 1 25 LEU H . . 3.970 2.739 2.649 2.812 . 0 0 "[ . 1]" 2
235 1 63 PHE QE 1 96 TYR QE . . 4.250 3.626 3.156 4.256 0.006 6 0 "[ . 1]" 2
236 1 25 LEU H 1 79 ALA H . . 5.220 4.606 4.394 4.828 . 0 0 "[ . 1]" 2
237 1 63 PHE HZ 1 96 TYR QD . . 4.520 4.380 3.425 4.533 0.013 6 0 "[ . 1]" 2
238 1 96 TYR H 1 96 TYR QD . . 4.370 2.641 1.953 3.741 . 0 0 "[ . 1]" 2
239 1 49 GLY H 1 76 THR H . . 4.610 3.870 3.770 4.058 . 0 0 "[ . 1]" 2
240 1 76 THR H 1 77 CYS H . . 3.560 2.590 2.514 2.623 . 0 0 "[ . 1]" 2
241 1 75 LEU H 1 76 THR H . . 4.730 4.403 4.362 4.456 . 0 0 "[ . 1]" 2
242 1 48 ALA H 1 76 THR H . . 5.300 4.308 4.141 4.408 . 0 0 "[ . 1]" 2
243 1 24 ILE H 1 26 ASP H . . 5.180 4.485 4.337 4.645 . 0 0 "[ . 1]" 2
244 1 23 TYR QD 1 26 ASP H . . 4.880 4.103 3.938 4.267 . 0 0 "[ . 1]" 2
245 1 23 TYR QD 1 24 ILE H . . 4.460 4.275 4.206 4.374 . 0 0 "[ . 1]" 2
246 1 79 ALA H 1 80 TYR H . . 4.850 4.374 4.341 4.419 . 0 0 "[ . 1]" 2
247 1 77 CYS H 1 79 ALA H . . 4.570 4.591 4.571 4.614 0.044 5 0 "[ . 1]" 2
248 1 37 TYR HA 1 40 ARG H . . 5.080 4.374 4.333 4.404 . 0 0 "[ . 1]" 2
249 1 38 SER HA 1 40 ARG H . . 5.500 4.668 4.552 4.731 . 0 0 "[ . 1]" 2
250 1 37 TYR HB2 1 40 ARG H . . 5.100 3.216 3.146 3.349 . 0 0 "[ . 1]" 2
251 1 39 CYS HA 1 41 ALA H . . 4.990 4.464 4.397 4.738 . 0 0 "[ . 1]" 2
252 1 41 ALA H 1 42 GLY HA3 . . 5.160 4.437 4.418 4.476 . 0 0 "[ . 1]" 2
253 1 50 LYS HA 1 51 ILE H . . 3.500 2.150 2.143 2.156 . 0 0 "[ . 1]" 2
254 1 50 LYS H 1 87 ILE HA . . 5.500 5.217 5.108 5.459 . 0 0 "[ . 1]" 2
255 1 2 SER HA 1 18 CYS H . . 5.000 4.297 3.414 4.741 . 0 0 "[ . 1]" 2
256 1 4 THR H 1 84 ASP HA . . 4.030 3.698 3.137 3.900 . 0 0 "[ . 1]" 2
257 1 23 TYR HB3 1 24 ILE H . . 4.700 3.120 2.971 3.244 . 0 0 "[ . 1]" 2
258 1 7 LEU H 1 13 GLU HA . . 5.500 5.395 5.263 5.510 0.010 9 0 "[ . 1]" 2
259 1 7 LEU H 1 86 THR HA . . 5.500 5.063 5.012 5.140 . 0 0 "[ . 1]" 2
260 1 58 GLN HA 1 80 TYR H . . 4.700 3.955 3.879 4.028 . 0 0 "[ . 1]" 2
261 1 57 ASP HA 1 80 TYR H . . 5.460 4.094 4.024 4.183 . 0 0 "[ . 1]" 2
262 1 37 TYR HB3 1 38 SER H . . 4.180 4.010 3.972 4.061 . 0 0 "[ . 1]" 2
263 1 38 SER H 1 40 ARG HB3 . . 4.240 4.274 4.205 4.301 0.061 10 0 "[ . 1]" 2
264 1 49 GLY HA3 1 74 VAL H . . 5.040 3.947 3.732 4.100 . 0 0 "[ . 1]" 2
265 1 50 LYS HA 1 74 VAL H . . 5.200 3.632 3.521 3.788 . 0 0 "[ . 1]" 2
266 1 85 CYS HB3 1 86 THR H . . 4.070 3.789 3.573 4.072 0.002 9 0 "[ . 1]" 2
267 1 64 LEU HA 1 69 ILE H . . 5.110 4.863 4.472 5.045 . 0 0 "[ . 1]" 2
268 1 66 ASP HA 1 69 ILE H . . 4.540 3.964 3.700 4.413 . 0 0 "[ . 1]" 2
269 1 56 VAL HA 1 82 THR H . . 4.210 2.893 2.836 2.913 . 0 0 "[ . 1]" 2
270 1 9 THR HA 1 89 THR H . . 4.340 4.274 4.135 4.363 0.023 10 0 "[ . 1]" 2
271 1 8 ILE HB 1 89 THR H . . 3.810 3.198 2.978 3.343 . 0 0 "[ . 1]" 2
272 1 69 ILE HA 1 73 TYR H . . 4.100 3.835 3.628 4.053 . 0 0 "[ . 1]" 2
273 1 20 ASP HA 1 22 THR H . . 5.260 3.771 3.641 3.874 . 0 0 "[ . 1]" 2
274 1 9 THR HA 1 90 HIS HE1 . . 4.830 4.726 4.640 4.808 . 0 0 "[ . 1]" 2
275 1 9 THR HB 1 90 HIS HE1 . . 3.700 3.653 3.419 3.711 0.011 10 0 "[ . 1]" 2
276 1 36 PRO HD2 1 90 HIS HE1 . . 4.010 3.888 3.762 3.994 . 0 0 "[ . 1]" 2
277 1 12 GLY H 1 13 GLU HG3 . . 5.500 4.654 4.574 4.715 . 0 0 "[ . 1]" 2
278 1 47 CYS HB2 1 48 ALA H . . 5.150 3.930 3.316 4.180 . 0 0 "[ . 1]" 2
279 1 73 TYR HA 1 73 TYR QD . . 3.540 2.409 2.290 2.492 . 0 0 "[ . 1]" 2
280 1 68 GLN HG3 1 73 TYR QD . . 4.800 3.024 2.602 3.578 . 0 0 "[ . 1]" 2
281 1 23 TYR HA 1 25 LEU H . . 5.100 4.014 3.815 4.250 . 0 0 "[ . 1]" 2
282 1 23 TYR HB2 1 25 LEU H . . 4.370 3.489 3.273 3.693 . 0 0 "[ . 1]" 2
283 1 23 TYR HA 1 80 TYR QE . . 4.530 4.271 4.060 4.428 . 0 0 "[ . 1]" 2
284 1 21 ASP HA 1 80 TYR QE . . 3.710 3.721 3.718 3.725 0.015 1 0 "[ . 1]" 2
285 1 36 PRO HA 1 37 TYR QD . . 4.640 4.477 3.948 4.691 0.051 10 0 "[ . 1]" 2
286 1 37 TYR HA 1 37 TYR QD . . 3.990 3.705 3.690 3.733 . 0 0 "[ . 1]" 2
287 1 37 TYR QD 1 38 SER HA . . 4.270 3.341 3.234 3.568 . 0 0 "[ . 1]" 2
288 1 37 TYR QD 1 40 ARG HD3 . . 4.730 3.576 3.213 3.923 . 0 0 "[ . 1]" 2
289 1 3 TYR HA 1 3 TYR QD . . 3.730 2.873 2.753 3.107 . 0 0 "[ . 1]" 2
290 1 2 SER HA 1 3 TYR QD . . 5.500 3.872 3.699 4.205 . 0 0 "[ . 1]" 2
291 1 3 TYR QD 1 83 SER HA . . 4.130 2.896 2.839 2.957 . 0 0 "[ . 1]" 2
292 1 63 PHE HA 1 63 PHE QD . . 3.510 3.084 3.021 3.132 . 0 0 "[ . 1]" 2
293 1 43 ALA HA 1 63 PHE QD . . 4.650 4.629 4.504 4.694 0.044 10 0 "[ . 1]" 2
294 1 78 VAL H 1 79 ALA HA . . 5.370 4.444 4.404 4.471 . 0 0 "[ . 1]" 2
295 1 76 THR HA 1 78 VAL H . . 4.260 3.557 3.454 3.614 . 0 0 "[ . 1]" 2
296 1 77 CYS HB2 1 78 VAL H . . 5.500 4.261 4.161 4.303 . 0 0 "[ . 1]" 2
297 1 26 ASP H 1 27 ALA HA . . 5.500 5.389 5.269 5.501 0.001 8 0 "[ . 1]" 2
298 1 26 ASP H 1 77 CYS HA . . 4.790 4.351 4.116 4.615 . 0 0 "[ . 1]" 2
299 1 96 TYR HA 1 96 TYR QE . . 5.440 4.867 4.317 5.581 0.141 8 0 "[ . 1]" 2
300 1 73 TYR HA 1 73 TYR QE . . 4.810 4.570 4.523 4.632 . 0 0 "[ . 1]" 2
301 1 73 TYR QE 1 91 LYS HA . . 5.390 4.897 4.534 5.259 . 0 0 "[ . 1]" 2
302 1 73 TYR QE 1 94 ASP HA . . 5.500 5.262 4.920 5.502 0.002 4 0 "[ . 1]" 2
303 1 73 TYR QE 1 94 ASP HB3 . . 3.910 3.120 2.816 3.352 . 0 0 "[ . 1]" 2
304 1 73 TYR QE 1 94 ASP HB2 . . 3.910 3.292 2.994 3.495 . 0 0 "[ . 1]" 2
305 1 50 LYS HE3 1 73 TYR QE . . 5.360 5.041 4.614 5.316 . 0 0 "[ . 1]" 2
306 1 3 TYR QE 1 83 SER HA . . 3.590 3.513 3.430 3.581 . 0 0 "[ . 1]" 2
307 1 22 THR HA 1 23 TYR QD . . 4.870 4.090 3.800 4.234 . 0 0 "[ . 1]" 2
308 1 22 THR HA 1 80 TYR QD . . 5.050 4.004 3.909 4.136 . 0 0 "[ . 1]" 2
309 1 21 ASP HA 1 80 TYR QD . . 3.790 3.351 3.261 3.486 . 0 0 "[ . 1]" 2
310 1 57 ASP HB2 1 80 TYR QD . . 5.250 3.382 3.370 3.394 . 0 0 "[ . 1]" 2
311 1 58 GLN HA 1 79 ALA H . . 5.330 5.328 5.226 5.360 0.030 8 0 "[ . 1]" 2
312 1 77 CYS HA 1 79 ALA H . . 5.290 4.514 4.454 4.540 . 0 0 "[ . 1]" 2
313 1 76 THR HA 1 79 ALA H . . 4.050 3.675 3.593 3.764 . 0 0 "[ . 1]" 2
314 1 27 ALA MB 1 28 ALA H . . 3.360 2.981 2.862 3.278 . 0 0 "[ . 1]" 2
315 1 28 ALA H 1 31 ALA MB . . 5.500 4.888 4.579 5.079 . 0 0 "[ . 1]" 2
316 1 16 ILE MD 1 28 ALA H . . 3.820 2.904 2.548 3.186 . 0 0 "[ . 1]" 2
317 1 25 LEU MD1 1 77 CYS H . . 5.500 4.706 3.797 5.343 . 0 0 "[ . 1]" 2
318 1 25 LEU HB3 1 77 CYS H . . 4.920 4.791 4.601 4.932 0.012 1 0 "[ . 1]" 2
319 1 74 VAL H 1 87 ILE MG . . 4.460 4.026 3.939 4.101 . 0 0 "[ . 1]" 2
320 1 64 LEU MD1 1 74 VAL H . . 4.760 4.351 3.843 4.590 . 0 0 "[ . 1]" 2
321 1 29 GLU H 1 31 ALA MB . . 5.330 5.139 4.884 5.303 . 0 0 "[ . 1]" 2
322 1 25 LEU HG 1 29 GLU H . . 5.080 4.056 3.747 4.309 . 0 0 "[ . 1]" 2
323 1 16 ILE MG 1 29 GLU H . . 5.500 5.476 5.297 5.507 0.007 6 0 "[ . 1]" 2
324 1 25 LEU MD2 1 29 GLU H . . 5.500 5.349 5.071 5.500 . 0 0 "[ . 1]" 2
325 1 51 ILE MG 1 86 THR H . . 5.500 4.941 4.850 5.034 . 0 0 "[ . 1]" 2
326 1 64 LEU HB3 1 69 ILE H . . 4.180 2.926 2.794 3.088 . 0 0 "[ . 1]" 2
327 1 69 ILE H 1 69 ILE HG12 . . 3.880 3.513 3.141 3.697 . 0 0 "[ . 1]" 2
328 1 69 ILE H 1 69 ILE MD . . 3.970 2.974 1.925 3.552 . 0 0 "[ . 1]" 2
329 1 66 ASP H 1 69 ILE MD . . 4.410 3.939 3.040 4.411 0.001 4 0 "[ . 1]" 2
330 1 8 ILE HG13 1 89 THR H . . 5.500 5.422 5.247 5.512 0.012 1 0 "[ . 1]" 2
331 1 9 THR MG 1 89 THR H . . 3.790 3.666 3.470 3.793 0.003 4 0 "[ . 1]" 2
332 1 8 ILE MD 1 89 THR H . . 5.500 5.400 5.280 5.500 . 0 0 "[ . 1]" 2
333 1 35 LEU MD1 1 89 THR H . . 5.500 5.255 5.048 5.512 0.012 10 0 "[ . 1]" 2
334 1 75 LEU H 1 75 LEU MD2 . . 4.290 3.262 2.988 3.402 . 0 0 "[ . 1]" 2
335 1 58 GLN HB2 1 75 LEU H . . 5.290 4.262 4.135 4.359 . 0 0 "[ . 1]" 2
336 1 75 LEU H 1 76 THR MG . . 5.220 5.214 5.183 5.240 0.020 10 0 "[ . 1]" 2
337 1 75 LEU H 1 79 ALA MB . . 4.880 3.856 3.695 4.117 . 0 0 "[ . 1]" 2
338 1 74 VAL MG1 1 75 LEU H . . 4.000 3.980 3.947 4.007 0.007 5 0 "[ . 1]" 2
339 1 64 LEU MD2 1 75 LEU H . . 5.500 4.766 4.613 4.965 . 0 0 "[ . 1]" 2
340 1 33 LEU H 1 33 LEU MD2 . . 4.310 2.756 2.084 4.181 . 0 0 "[ . 1]" 2
341 1 50 LYS HD2 1 73 TYR H . . 5.500 5.384 5.134 5.511 0.011 8 0 "[ . 1]" 2
342 1 50 LYS HG3 1 73 TYR H . . 5.200 4.046 3.770 4.247 . 0 0 "[ . 1]" 2
343 1 63 PHE H 1 64 LEU MD2 . . 5.500 4.918 4.695 5.165 . 0 0 "[ . 1]" 2
344 1 63 PHE QE 1 95 LEU HB3 . . 5.500 3.373 2.513 4.104 . 0 0 "[ . 1]" 2
345 1 50 LYS HD2 1 73 TYR QD . . 5.260 4.214 3.805 4.494 . 0 0 "[ . 1]" 2
346 1 50 LYS HD3 1 73 TYR QD . . 5.500 4.217 3.801 4.538 . 0 0 "[ . 1]" 2
347 1 48 ALA MB 1 73 TYR QD . . 5.010 3.926 3.703 4.155 . 0 0 "[ . 1]" 2
348 1 73 TYR QD 1 91 LYS HG2 . . 5.500 5.419 5.107 5.509 0.009 1 0 "[ . 1]" 2
349 1 25 LEU H 1 76 THR MG . . 5.270 4.579 4.375 4.793 . 0 0 "[ . 1]" 2
350 1 63 PHE QE 1 95 LEU HB2 . . 5.500 4.001 3.557 4.441 . 0 0 "[ . 1]" 2
351 1 73 TYR QD 1 95 LEU HG . . 5.500 4.773 4.555 5.184 . 0 0 "[ . 1]" 2
352 1 16 ILE MD 1 25 LEU H . . 5.500 5.090 4.725 5.268 . 0 0 "[ . 1]" 2
353 1 64 LEU MD1 1 73 TYR QD . . 5.500 4.549 4.344 4.689 . 0 0 "[ . 1]" 2
354 1 25 LEU H 1 25 LEU MD1 . . 4.230 4.001 3.775 4.128 . 0 0 "[ . 1]" 2
355 1 63 PHE HZ 1 64 LEU MD2 . . 5.110 4.861 4.390 5.095 . 0 0 "[ . 1]" 2
356 1 63 PHE HZ 1 95 LEU HG . . 5.500 5.515 5.506 5.537 0.037 10 0 "[ . 1]" 2
357 1 61 GLN HE21 1 75 LEU MD2 . . 6.720 5.215 4.837 6.762 0.042 6 0 "[ . 1]" 2
358 1 25 LEU MD2 1 37 TYR QE . . 4.560 3.947 3.762 4.053 . 0 0 "[ . 1]" 2
359 1 25 LEU MD1 1 37 TYR QE . . 4.530 3.698 3.296 4.066 . 0 0 "[ . 1]" 2
360 1 43 ALA MB 1 63 PHE QD . . 5.250 4.994 4.873 5.141 . 0 0 "[ . 1]" 2
361 1 63 PHE QD 1 75 LEU MD1 . . 4.670 3.992 3.614 4.198 . 0 0 "[ . 1]" 2
362 1 25 LEU HB2 1 76 THR H . . 5.500 5.076 4.924 5.168 . 0 0 "[ . 1]" 2
363 1 63 PHE QD 1 64 LEU MD1 . . 5.500 4.260 3.718 4.601 . 0 0 "[ . 1]" 2
364 1 63 PHE QD 1 75 LEU MD2 . . 4.670 3.986 3.588 4.253 . 0 0 "[ . 1]" 2
365 1 76 THR MG 1 78 VAL H . . 5.500 5.036 4.991 5.077 . 0 0 "[ . 1]" 2
366 1 26 ASP H 1 27 ALA MB . . 4.550 4.439 4.294 4.527 . 0 0 "[ . 1]" 2
367 1 25 LEU MD2 1 26 ASP H . . 4.820 4.116 3.924 4.288 . 0 0 "[ . 1]" 2
368 1 25 LEU MD1 1 26 ASP H . . 4.740 4.419 4.226 4.577 . 0 0 "[ . 1]" 2
369 1 73 TYR QE 1 95 LEU HG . . 5.470 4.986 4.713 5.270 . 0 0 "[ . 1]" 2
370 1 50 LYS HG2 1 73 TYR QE . . 5.040 4.567 4.251 4.757 . 0 0 "[ . 1]" 2
371 1 3 TYR QE 1 4 THR MG . . 5.300 5.332 5.305 5.473 0.173 9 0 "[ . 1]" 2
372 1 3 TYR QE 1 82 THR MG . . 5.500 4.766 4.109 5.427 . 0 0 "[ . 1]" 2
373 1 78 VAL MG1 1 79 ALA H . . 4.610 4.368 4.364 4.374 . 0 0 "[ . 1]" 2
374 1 4 THR MG 1 5 VAL H . . 4.240 4.158 4.093 4.214 . 0 0 "[ . 1]" 2
375 1 50 LYS H 1 87 ILE MG . . 4.200 3.843 3.717 4.066 . 0 0 "[ . 1]" 2
376 1 8 ILE HG12 1 87 ILE H . . 5.280 4.790 4.689 4.867 . 0 0 "[ . 1]" 2
377 1 50 LYS HB2 1 51 ILE H . . 5.040 4.470 4.415 4.562 . 0 0 "[ . 1]" 2
378 1 50 LYS HB3 1 51 ILE H . . 5.500 4.275 4.050 4.359 . 0 0 "[ . 1]" 2
379 1 51 ILE H 1 51 ILE HG13 . . 5.500 4.807 4.775 4.835 . 0 0 "[ . 1]" 2
380 1 56 VAL MG2 1 57 ASP H . . 4.180 3.342 3.186 3.749 . 0 0 "[ . 1]" 2
381 1 49 GLY H 1 74 VAL MG1 . . 4.850 4.573 4.307 4.713 . 0 0 "[ . 1]" 2
382 1 49 GLY H 1 87 ILE MG . . 4.660 3.444 3.318 3.550 . 0 0 "[ . 1]" 2
383 1 5 VAL H 1 16 ILE HB . . 5.500 5.387 5.274 5.498 . 0 0 "[ . 1]" 2
384 1 5 VAL HB 1 6 LYS H . . 5.500 4.402 4.346 4.449 . 0 0 "[ . 1]" 2
385 1 37 TYR HB3 1 40 ARG H . . 5.470 4.955 4.871 5.084 . 0 0 "[ . 1]" 2
386 1 40 ARG H 1 41 ALA HA . . 5.500 5.523 5.512 5.557 0.057 5 0 "[ . 1]" 2
387 1 37 TYR QE 1 40 ARG H . . 5.500 5.335 5.186 5.519 0.019 6 0 "[ . 1]" 2
388 1 49 GLY H 1 51 ILE H . . 5.500 5.470 5.361 5.519 0.019 8 0 "[ . 1]" 2
389 1 51 ILE H 1 73 TYR QD . . 5.490 4.700 4.570 4.819 . 0 0 "[ . 1]" 2
390 1 50 LYS H 1 73 TYR QD . . 5.500 3.343 3.129 3.508 . 0 0 "[ . 1]" 2
391 1 50 LYS H 1 73 TYR QE . . 5.500 4.517 4.243 4.706 . 0 0 "[ . 1]" 2
392 1 49 GLY H 1 89 THR HA . . 5.500 5.399 5.092 5.513 0.013 7 0 "[ . 1]" 2
393 1 49 GLY H 1 76 THR HA . . 5.500 5.513 5.503 5.523 0.023 1 0 "[ . 1]" 2
394 1 50 LYS H 1 91 LYS HE3 . . 5.500 4.552 3.661 5.097 . 0 0 "[ . 1]" 2
395 1 50 LYS H 1 91 LYS HE2 . . 5.500 4.873 4.253 5.498 . 0 0 "[ . 1]" 2
396 1 8 ILE H 1 9 THR MG . . 5.370 4.129 4.079 4.157 . 0 0 "[ . 1]" 2
397 1 6 LYS HB2 1 7 LEU H . . 5.500 4.520 4.412 4.584 . 0 0 "[ . 1]" 2
398 1 8 ILE H 1 13 GLU HG2 . . 5.500 5.409 5.253 5.502 0.002 6 0 "[ . 1]" 2
399 1 8 ILE H 1 88 GLU HB3 . . 5.500 5.354 5.077 5.502 0.002 3 0 "[ . 1]" 2
400 1 49 GLY HA2 1 88 GLU H . . 5.500 4.215 4.065 4.327 . 0 0 "[ . 1]" 2
401 1 45 SER HB2 1 46 THR H . . 5.500 4.402 3.989 4.603 . 0 0 "[ . 1]" 2
402 1 45 SER HB3 1 46 THR H . . 5.500 4.035 3.635 4.529 . 0 0 "[ . 1]" 2
403 1 88 GLU H 1 89 THR HA . . 5.500 5.029 4.957 5.100 . 0 0 "[ . 1]" 2
404 1 6 LYS H 1 84 ASP HA . . 5.500 5.149 5.019 5.291 . 0 0 "[ . 1]" 2
405 1 6 LYS H 1 85 CYS HA . . 5.500 4.916 4.880 5.002 . 0 0 "[ . 1]" 2
406 1 85 CYS HA 1 87 ILE H . . 5.500 5.175 5.029 5.393 . 0 0 "[ . 1]" 2
407 1 16 ILE H 1 17 GLU HA . . 5.500 5.073 4.793 5.234 . 0 0 "[ . 1]" 2
408 1 75 LEU HB3 1 77 CYS H . . 5.400 2.874 2.788 3.093 . 0 0 "[ . 1]" 2
409 1 77 CYS H 1 78 VAL HA . . 5.500 5.138 5.096 5.196 . 0 0 "[ . 1]" 2
410 1 69 ILE H 1 73 TYR HB2 . . 5.500 4.872 4.637 5.082 . 0 0 "[ . 1]" 2
411 1 3 TYR HB2 1 84 ASP H . . 5.500 3.824 3.666 3.904 . 0 0 "[ . 1]" 2
412 1 29 GLU H 1 33 LEU HB2 . . 5.500 4.070 3.794 4.459 . 0 0 "[ . 1]" 2
413 1 35 LEU MD2 1 89 THR H . . 5.500 4.943 4.692 5.366 . 0 0 "[ . 1]" 2
414 1 77 CYS H 1 78 VAL MG1 . . 5.500 4.576 4.512 4.724 . 0 0 "[ . 1]" 2
415 1 75 LEU H 1 76 THR HA . . 5.500 5.392 5.368 5.441 . 0 0 "[ . 1]" 2
416 1 18 CYS HA 1 27 ALA H . . 5.500 5.373 5.024 5.502 0.002 9 0 "[ . 1]" 2
417 1 24 ILE H 1 27 ALA H . . 5.500 5.019 4.874 5.209 . 0 0 "[ . 1]" 2
418 1 51 ILE H 1 73 TYR H . . 5.500 4.364 4.167 4.650 . 0 0 "[ . 1]" 2
419 1 69 ILE H 1 73 TYR H . . 5.500 5.506 5.482 5.521 0.021 1 0 "[ . 1]" 2
420 1 29 GLU H 1 33 LEU H . . 5.350 4.637 4.418 4.873 . 0 0 "[ . 1]" 2
421 1 48 ALA H 1 77 CYS H . . 5.500 5.541 5.397 5.619 0.119 10 0 "[ . 1]" 2
422 1 28 ALA H 1 31 ALA H . . 5.500 4.625 4.351 4.763 . 0 0 "[ . 1]" 2
423 1 71 ALA H 1 73 TYR QE . . 5.500 4.849 4.641 5.202 . 0 0 "[ . 1]" 2
424 1 3 TYR H 1 3 TYR QE . . 5.500 5.263 4.538 5.415 . 0 0 "[ . 1]" 2
425 1 70 GLU HG3 1 71 ALA H . . 5.440 4.839 4.391 5.158 . 0 0 "[ . 1]" 2
426 1 70 GLU HB2 1 72 GLY H . . 5.500 5.282 5.065 5.520 0.020 5 0 "[ . 1]" 2
427 1 70 GLU HB3 1 72 GLY H . . 5.500 4.907 4.743 5.039 . 0 0 "[ . 1]" 2
428 1 27 ALA H 1 30 GLU HB2 . . 5.500 5.305 4.983 5.485 . 0 0 "[ . 1]" 2
429 1 27 ALA H 1 30 GLU HB3 . . 5.500 5.014 4.697 5.267 . 0 0 "[ . 1]" 2
430 1 45 SER HB2 1 48 ALA H . . 5.500 5.015 4.436 5.567 0.067 5 0 "[ . 1]" 2
431 1 45 SER HB3 1 48 ALA H . . 5.500 5.358 4.693 5.564 0.064 5 0 "[ . 1]" 2
432 1 1 ALA HA 1 3 TYR QE . . 5.500 4.800 2.325 5.476 . 0 0 "[ . 1]" 2
433 1 22 THR HB 1 23 TYR QD . . 5.500 5.488 5.403 5.511 0.011 5 0 "[ . 1]" 2
434 1 22 THR HB 1 80 TYR QD . . 5.500 4.919 4.818 4.993 . 0 0 "[ . 1]" 2
435 1 43 ALA H 1 44 CYS HA . . 5.400 4.482 4.462 4.512 . 0 0 "[ . 1]" 2
436 1 37 TYR QD 1 38 SER HB2 . . 5.500 5.169 5.039 5.342 . 0 0 "[ . 1]" 2
437 1 37 TYR QD 1 38 SER HB3 . . 5.500 5.263 5.124 5.481 . 0 0 "[ . 1]" 2
438 1 76 THR MG 1 79 ALA H . . 5.500 5.471 5.355 5.536 0.036 10 0 "[ . 1]" 2
439 1 24 ILE HB 1 79 ALA H . . 5.300 4.665 4.358 4.958 . 0 0 "[ . 1]" 2
440 1 24 ILE HG13 1 79 ALA H . . 5.500 4.741 4.255 5.253 . 0 0 "[ . 1]" 2
441 1 23 TYR QD 1 78 VAL MG2 . . 5.470 4.755 4.710 4.858 . 0 0 "[ . 1]" 2
442 1 51 ILE H 1 52 THR HA . . 5.500 5.136 5.052 5.310 . 0 0 "[ . 1]" 2
443 1 27 ALA H 1 28 ALA HA . . 5.420 5.139 4.997 5.281 . 0 0 "[ . 1]" 2
444 1 57 ASP H 1 79 ALA MB . . 4.610 3.732 3.547 4.217 . 0 0 "[ . 1]" 2
445 1 57 ASP H 1 58 GLN HA . . 5.450 4.867 4.740 5.113 . 0 0 "[ . 1]" 2
446 1 8 ILE HB 1 88 GLU H . . 5.500 4.836 4.733 4.963 . 0 0 "[ . 1]" 2
447 1 9 THR HA 1 10 PRO HD3 . . 3.630 2.296 2.295 2.297 . 0 0 "[ . 1]" 2
448 1 9 THR HA 1 10 PRO HD2 . . 3.630 2.389 2.387 2.391 . 0 0 "[ . 1]" 2
449 1 9 THR HA 1 9 THR MG . . 3.300 2.456 2.443 2.471 . 0 0 "[ . 1]" 2
450 1 58 GLN HA 1 79 ALA HA . . 3.380 3.203 3.118 3.317 . 0 0 "[ . 1]" 2
451 1 58 GLN HA 1 79 ALA MB . . 4.920 4.512 4.396 4.650 . 0 0 "[ . 1]" 2
452 1 8 ILE MG 1 13 GLU HA . . 4.130 4.109 4.052 4.141 0.011 10 0 "[ . 1]" 2
453 1 54 GLY HA3 1 85 CYS HA . . 4.130 2.274 1.992 2.428 . 0 0 "[ . 1]" 2
454 1 4 THR HA 1 17 GLU HA . . 3.550 2.963 2.766 3.179 . 0 0 "[ . 1]" 2
455 1 37 TYR HA 1 47 CYS HA . . 4.100 3.603 3.301 3.756 . 0 0 "[ . 1]" 2
456 1 48 ALA HA 1 49 GLY HA3 . . 4.440 4.323 4.319 4.330 . 0 0 "[ . 1]" 2
457 1 16 ILE HA 1 16 ILE MG . . 3.610 2.332 2.275 2.387 . 0 0 "[ . 1]" 2
458 1 35 LEU HA 1 89 THR HB . . 5.040 4.304 4.087 4.870 . 0 0 "[ . 1]" 2
459 1 55 SER HA 1 56 VAL MG2 . . 4.290 3.526 3.395 3.656 . 0 0 "[ . 1]" 2
460 1 48 ALA HA 1 75 LEU HA . . 3.820 2.008 1.990 2.061 . 0 0 "[ . 1]" 2
461 1 75 LEU HA 1 75 LEU MD2 . . 4.230 1.918 1.894 1.944 . 0 0 "[ . 1]" 2
462 1 50 LYS HA 1 51 ILE HA . . 4.620 4.400 4.396 4.406 . 0 0 "[ . 1]" 2
463 1 35 LEU HA 1 36 PRO HD3 . . 3.280 2.350 2.347 2.360 . 0 0 "[ . 1]" 2
464 1 35 LEU HA 1 36 PRO HD2 . . 3.210 2.512 2.505 2.533 . 0 0 "[ . 1]" 2
465 1 35 LEU HA 1 36 PRO HG2 . . 4.830 4.605 4.599 4.622 . 0 0 "[ . 1]" 2
466 1 35 LEU HA 1 35 LEU MD2 . . 4.210 3.799 3.790 3.819 . 0 0 "[ . 1]" 2
467 1 51 ILE HA 1 87 ILE MG . . 4.270 4.165 3.807 4.274 0.004 10 0 "[ . 1]" 2
468 1 36 PRO HG2 1 90 HIS HA . . 4.290 3.990 3.860 4.301 0.011 4 0 "[ . 1]" 2
469 1 9 THR HB 1 10 PRO HD3 . . 3.400 3.367 3.363 3.371 . 0 0 "[ . 1]" 2
470 1 9 THR HB 1 10 PRO HD2 . . 3.400 1.941 1.934 1.946 . 0 0 "[ . 1]" 2
471 1 49 GLY HA2 1 89 THR HA . . 4.130 3.199 2.953 3.338 . 0 0 "[ . 1]" 2
472 1 51 ILE MG 1 52 THR HA . . 5.020 3.180 3.008 3.253 . 0 0 "[ . 1]" 2
473 1 39 CYS HA 1 41 ALA MB . . 4.900 4.003 3.973 4.085 . 0 0 "[ . 1]" 2
474 1 45 SER HA 1 64 LEU MD2 . . 4.020 3.670 3.405 3.941 . 0 0 "[ . 1]" 2
475 1 8 ILE HA 1 13 GLU HA . . 3.220 3.132 3.081 3.180 . 0 0 "[ . 1]" 2
476 1 8 ILE HA 1 9 THR MG . . 3.870 3.484 3.453 3.515 . 0 0 "[ . 1]" 2
477 1 8 ILE HA 1 8 ILE HG12 . . 3.680 3.223 3.202 3.233 . 0 0 "[ . 1]" 2
478 1 52 THR HA 1 52 THR HB . . 2.520 2.381 2.342 2.456 . 0 0 "[ . 1]" 2
479 1 25 LEU MD1 1 37 TYR HA . . 5.000 4.009 3.820 4.208 . 0 0 "[ . 1]" 2
480 1 50 LYS HG2 1 52 THR HB . . 5.300 4.159 4.033 4.355 . 0 0 "[ . 1]" 2
481 1 27 ALA HA 1 28 ALA HA . . 5.400 4.705 4.589 4.789 . 0 0 "[ . 1]" 2
482 1 28 ALA HA 1 29 GLU HA . . 5.500 4.778 4.738 4.805 . 0 0 "[ . 1]" 2
483 1 29 GLU HA 1 30 GLU HA . . 4.940 4.793 4.746 4.863 . 0 0 "[ . 1]" 2
484 1 26 ASP HA 1 29 GLU HG2 . . 3.810 2.789 2.387 3.323 . 0 0 "[ . 1]" 2
485 1 64 LEU MD2 1 68 GLN HA . . 4.410 4.103 3.966 4.233 . 0 0 "[ . 1]" 2
486 1 68 GLN HA 1 68 GLN HG2 . . 3.770 3.594 3.450 3.667 . 0 0 "[ . 1]" 2
487 1 19 SER HB3 1 22 THR HB . . 4.210 3.908 3.593 4.232 0.022 5 0 "[ . 1]" 2
488 1 19 SER HB2 1 22 THR HB . . 4.210 3.606 2.953 3.993 . 0 0 "[ . 1]" 2
489 1 40 ARG HA 1 40 ARG HG2 . . 4.160 3.856 3.781 3.881 . 0 0 "[ . 1]" 2
490 1 70 GLU HA 1 70 GLU HG3 . . 4.060 2.804 2.218 3.573 . 0 0 "[ . 1]" 2
491 1 42 GLY HA3 1 61 GLN HA . . 3.790 3.440 3.295 3.568 . 0 0 "[ . 1]" 2
492 1 69 ILE MG 1 70 GLU HA . . 3.960 3.615 3.514 3.800 . 0 0 "[ . 1]" 2
493 1 69 ILE HA 1 70 GLU HA . . 4.960 4.813 4.762 4.881 . 0 0 "[ . 1]" 2
494 1 27 ALA MB 1 28 ALA HA . . 4.160 3.909 3.820 4.071 . 0 0 "[ . 1]" 2
495 1 64 LEU HB3 1 69 ILE HA . . 4.600 4.388 3.957 4.605 0.005 9 0 "[ . 1]" 2
496 1 25 LEU HA 1 28 ALA HA . . 5.330 5.180 4.947 5.334 0.004 6 0 "[ . 1]" 2
497 1 42 GLY HA2 1 61 GLN HA . . 3.790 3.656 3.536 3.763 . 0 0 "[ . 1]" 2
498 1 74 VAL MG2 1 76 THR HB . . 5.500 5.339 5.276 5.380 . 0 0 "[ . 1]" 2
499 1 76 THR HA 1 76 THR HB . . 2.900 2.455 2.422 2.488 . 0 0 "[ . 1]" 2
500 1 24 ILE HB 1 76 THR HB . . 3.980 2.480 2.239 2.787 . 0 0 "[ . 1]" 2
501 1 25 LEU HA 1 77 CYS HA . . 5.500 4.880 4.674 5.211 . 0 0 "[ . 1]" 2
502 1 93 GLU HA 1 94 ASP HA . . 5.500 4.830 4.764 4.894 . 0 0 "[ . 1]" 2
503 1 25 LEU HA 1 25 LEU HG . . 3.980 3.103 2.825 3.289 . 0 0 "[ . 1]" 2
504 1 24 ILE MG 1 25 LEU HA . . 3.880 3.489 3.406 3.551 . 0 0 "[ . 1]" 2
505 1 25 LEU HA 1 25 LEU MD1 . . 4.040 2.008 1.949 2.094 . 0 0 "[ . 1]" 2
506 1 14 SER HB3 1 16 ILE MG . . 4.420 3.372 2.998 4.031 . 0 0 "[ . 1]" 2
507 1 9 THR MG 1 14 SER HB3 . . 4.970 4.961 4.913 4.975 0.005 5 0 "[ . 1]" 2
508 1 24 ILE HA 1 24 ILE HG13 . . 3.750 2.573 2.406 2.853 . 0 0 "[ . 1]" 2
509 1 24 ILE HA 1 24 ILE HG12 . . 3.690 2.985 2.641 3.248 . 0 0 "[ . 1]" 2
510 1 54 GLY HA2 1 85 CYS HA . . 4.130 3.311 3.055 3.497 . 0 0 "[ . 1]" 2
511 1 48 ALA MB 1 92 GLU HA . . 3.750 3.545 3.304 3.756 0.006 7 0 "[ . 1]" 2
512 1 24 ILE MG 1 76 THR HA . . 4.480 4.067 3.711 4.291 . 0 0 "[ . 1]" 2
513 1 3 TYR HB3 1 84 ASP HA . . 3.950 2.442 2.352 2.560 . 0 0 "[ . 1]" 2
514 1 88 GLU HB2 1 91 LYS HE3 . . 4.620 4.142 3.261 4.614 . 0 0 "[ . 1]" 2
515 1 88 GLU HB3 1 91 LYS HE3 . . 4.880 3.967 3.181 4.596 . 0 0 "[ . 1]" 2
516 1 22 THR MG 1 26 ASP HB3 . . 4.350 2.876 2.586 3.135 . 0 0 "[ . 1]" 2
517 1 36 PRO HD2 1 89 THR HB . . 3.930 2.710 2.540 3.264 . 0 0 "[ . 1]" 2
518 1 88 GLU HB2 1 91 LYS HE2 . . 4.620 4.089 3.239 4.620 0.000 6 0 "[ . 1]" 2
519 1 88 GLU HB3 1 91 LYS HE2 . . 4.880 3.254 2.583 3.698 . 0 0 "[ . 1]" 2
520 1 60 ASP HB3 1 78 VAL HB . . 3.880 3.527 3.115 3.815 . 0 0 "[ . 1]" 2
521 1 25 LEU MD2 1 40 ARG HD3 . . 4.440 4.125 3.466 4.443 0.003 1 0 "[ . 1]" 2
522 1 18 CYS HB3 1 27 ALA MB . . 4.030 3.833 3.002 4.043 0.013 9 0 "[ . 1]" 2
523 1 40 ARG HA 1 77 CYS HB3 . . 3.770 2.510 2.181 2.713 . 0 0 "[ . 1]" 2
524 1 58 GLN HG3 1 61 GLN HG2 . . 5.500 3.822 3.292 4.151 . 0 0 "[ . 1]" 2
525 1 58 GLN HG3 1 61 GLN HG3 . . 5.500 4.417 3.979 4.844 . 0 0 "[ . 1]" 2
526 1 40 ARG HB3 1 40 ARG HD3 . . 4.010 2.847 2.385 3.206 . 0 0 "[ . 1]" 2
527 1 40 ARG HB3 1 77 CYS HB3 . . 4.720 4.553 4.178 4.737 0.017 7 0 "[ . 1]" 2
528 1 25 LEU HB3 1 77 CYS HB3 . . 4.250 4.147 3.949 4.252 0.002 4 0 "[ . 1]" 2
529 1 6 LYS HE2 1 86 THR MG . . 4.580 3.030 2.034 4.574 . 0 0 "[ . 1]" 2
530 1 64 LEU MD1 1 73 TYR HB3 . . 3.980 3.729 3.396 3.958 . 0 0 "[ . 1]" 2
531 1 68 GLN HA 1 68 GLN HG3 . . 3.710 2.435 2.115 2.689 . 0 0 "[ . 1]" 2
532 1 64 LEU HB3 1 68 GLN HG3 . . 5.500 4.467 4.134 4.752 . 0 0 "[ . 1]" 2
533 1 68 GLN HG3 1 71 ALA MB . . 5.500 4.746 4.152 5.194 . 0 0 "[ . 1]" 2
534 1 37 TYR HB2 1 40 ARG HB2 . . 5.060 4.455 4.206 4.595 . 0 0 "[ . 1]" 2
535 1 25 LEU MD2 1 40 ARG HD2 . . 4.440 3.912 3.291 4.446 0.006 8 0 "[ . 1]" 2
536 1 40 ARG HB3 1 40 ARG HD2 . . 4.010 3.057 2.724 3.517 . 0 0 "[ . 1]" 2
537 1 71 ALA MB 1 73 TYR HB2 . . 4.080 3.999 3.872 4.067 . 0 0 "[ . 1]" 2
538 1 68 GLN HG3 1 73 TYR HB2 . . 4.230 3.978 3.202 4.234 0.004 1 0 "[ . 1]" 2
539 1 64 LEU MD1 1 73 TYR HB2 . . 3.840 3.178 2.973 3.322 . 0 0 "[ . 1]" 2
540 1 26 ASP HA 1 29 GLU HG3 . . 3.810 2.603 2.210 3.127 . 0 0 "[ . 1]" 2
541 1 64 LEU HB3 1 68 GLN HB2 . . 3.970 2.124 1.987 2.345 . 0 0 "[ . 1]" 2
542 1 64 LEU HB3 1 68 GLN HB3 . . 3.970 2.488 1.997 3.036 . 0 0 "[ . 1]" 2
543 1 30 GLU HA 1 30 GLU HG3 . . 3.870 2.612 2.401 3.231 . 0 0 "[ . 1]" 2
544 1 58 GLN HG3 1 64 LEU MD1 . . 5.030 4.726 4.198 5.035 0.005 2 0 "[ . 1]" 2
545 1 58 GLN HA 1 58 GLN HG3 . . 4.050 3.645 3.600 3.700 . 0 0 "[ . 1]" 2
546 1 58 GLN HG3 1 69 ILE MD . . 5.010 3.750 2.472 4.858 . 0 0 "[ . 1]" 2
547 1 88 GLU HA 1 88 GLU HG3 . . 4.240 3.138 2.787 3.580 . 0 0 "[ . 1]" 2
548 1 8 ILE MG 1 88 GLU HG3 . . 4.340 4.332 4.223 4.357 0.017 6 0 "[ . 1]" 2
549 1 8 ILE HG12 1 88 GLU HG3 . . 4.810 3.827 3.274 4.575 . 0 0 "[ . 1]" 2
550 1 86 THR MG 1 88 GLU HG3 . . 5.050 3.470 3.063 4.167 . 0 0 "[ . 1]" 2
551 1 30 GLU HA 1 30 GLU HG2 . . 3.870 3.479 2.948 3.801 . 0 0 "[ . 1]" 2
552 1 58 GLN HB3 1 64 LEU MD1 . . 5.330 4.866 4.596 5.287 . 0 0 "[ . 1]" 2
553 1 40 ARG HA 1 77 CYS HB2 . . 4.020 2.058 1.980 2.263 . 0 0 "[ . 1]" 2
554 1 70 GLU HA 1 70 GLU HG2 . . 4.060 2.732 2.038 3.567 . 0 0 "[ . 1]" 2
555 1 93 GLU HA 1 93 GLU HG3 . . 4.060 3.121 2.102 3.696 . 0 0 "[ . 1]" 2
556 1 93 GLU HA 1 93 GLU HG2 . . 4.060 3.012 2.070 3.945 . 0 0 "[ . 1]" 2
557 1 60 ASP HB2 1 78 VAL HB . . 3.880 3.125 2.876 3.341 . 0 0 "[ . 1]" 2
558 1 58 GLN HA 1 58 GLN HG2 . . 4.150 3.786 3.734 3.830 . 0 0 "[ . 1]" 2
559 1 3 TYR HB2 1 84 ASP HA . . 4.000 3.571 3.374 3.651 . 0 0 "[ . 1]" 2
560 1 27 ALA HA 1 30 GLU HB3 . . 3.250 2.765 2.310 3.099 . 0 0 "[ . 1]" 2
561 1 30 GLU HA 1 30 GLU HB2 . . 2.860 2.463 2.406 2.534 . 0 0 "[ . 1]" 2
562 1 13 GLU HA 1 13 GLU HG3 . . 4.140 2.687 2.341 2.875 . 0 0 "[ . 1]" 2
563 1 64 LEU HB3 1 68 GLN HG2 . . 3.800 3.476 3.230 3.653 . 0 0 "[ . 1]" 2
564 1 8 ILE MG 1 88 GLU HG2 . . 4.340 3.100 2.840 3.477 . 0 0 "[ . 1]" 2
565 1 88 GLU HA 1 88 GLU HG2 . . 4.240 2.393 2.201 2.752 . 0 0 "[ . 1]" 2
566 1 17 GLU HA 1 17 GLU HG3 . . 4.130 2.250 2.037 2.526 . 0 0 "[ . 1]" 2
567 1 50 LYS HB3 1 88 GLU HB2 . . 3.700 2.283 1.999 2.617 . 0 0 "[ . 1]" 2
568 1 17 GLU HA 1 17 GLU HG2 . . 4.130 3.250 2.535 3.585 . 0 0 "[ . 1]" 2
569 1 13 GLU HA 1 13 GLU HG2 . . 4.210 2.645 2.457 2.973 . 0 0 "[ . 1]" 2
570 1 8 ILE HA 1 13 GLU HG2 . . 4.300 2.969 2.679 3.261 . 0 0 "[ . 1]" 2
571 1 8 ILE HG12 1 13 GLU HG2 . . 5.420 5.011 4.883 5.072 . 0 0 "[ . 1]" 2
572 1 25 LEU MD2 1 29 GLU HG2 . . 4.870 4.155 3.800 4.594 . 0 0 "[ . 1]" 2
573 1 29 GLU HA 1 29 GLU HG2 . . 4.230 4.126 3.893 4.218 . 0 0 "[ . 1]" 2
574 1 5 VAL HB 1 24 ILE MG . . 4.150 3.472 3.121 3.728 . 0 0 "[ . 1]" 2
575 1 5 VAL HB 1 16 ILE MD . . 4.480 3.357 2.722 3.804 . 0 0 "[ . 1]" 2
576 1 64 LEU HB3 1 69 ILE HB . . 4.880 4.764 4.568 4.886 0.006 2 0 "[ . 1]" 2
577 1 66 ASP HA 1 69 ILE HB . . 3.590 3.267 3.068 3.437 . 0 0 "[ . 1]" 2
578 1 69 ILE HB 1 69 ILE MD . . 3.400 2.243 2.130 2.415 . 0 0 "[ . 1]" 2
579 1 56 VAL HB 1 58 GLN HG2 . . 4.540 4.551 4.540 4.561 0.021 2 0 "[ . 1]" 2
580 1 56 VAL HB 1 74 VAL MG2 . . 4.440 4.229 3.933 4.356 . 0 0 "[ . 1]" 2
581 1 8 ILE HB 1 88 GLU HA . . 3.440 2.075 1.993 2.202 . 0 0 "[ . 1]" 2
582 1 8 ILE HA 1 13 GLU HB3 . . 4.400 4.388 4.311 4.404 0.004 6 0 "[ . 1]" 2
583 1 56 VAL HB 1 74 VAL HB . . 4.970 4.211 4.076 4.309 . 0 0 "[ . 1]" 2
584 1 8 ILE HB 1 9 THR MG . . 4.540 4.550 4.534 4.559 0.019 8 0 "[ . 1]" 2
585 1 24 ILE HG13 1 87 ILE MD . . 5.220 3.902 3.693 4.125 . 0 0 "[ . 1]" 2
586 1 6 LYS HB3 1 86 THR MG . . 3.590 2.074 1.965 2.227 . 0 0 "[ . 1]" 2
587 1 6 LYS HB3 1 86 THR HA . . 3.620 2.011 1.994 2.051 . 0 0 "[ . 1]" 2
588 1 16 ILE HB 1 31 ALA MB . . 3.750 3.587 3.269 3.757 0.007 5 0 "[ . 1]" 2
589 1 7 LEU HB3 1 9 THR MG . . 3.720 3.009 2.910 3.071 . 0 0 "[ . 1]" 2
590 1 7 LEU HB3 1 33 LEU MD1 . . 4.970 2.938 2.700 3.433 . 0 0 "[ . 1]" 2
591 1 24 ILE HB 1 76 THR HA . . 3.930 2.840 2.527 3.113 . 0 0 "[ . 1]" 2
592 1 75 LEU HB3 1 75 LEU MD2 . . 3.630 2.449 2.414 2.494 . 0 0 "[ . 1]" 2
593 1 6 LYS HB2 1 86 THR HA . . 4.080 3.034 2.723 3.480 . 0 0 "[ . 1]" 2
594 1 6 LYS HB2 1 86 THR MG . . 3.810 3.406 3.293 3.620 . 0 0 "[ . 1]" 2
595 1 64 LEU HA 1 64 LEU HG . . 4.100 3.322 3.133 3.429 . 0 0 "[ . 1]" 2
596 1 25 LEU HB3 1 28 ALA MB . . 5.010 4.826 4.533 5.011 0.001 4 0 "[ . 1]" 2
597 1 25 LEU HB3 1 77 CYS HA . . 3.080 2.446 2.242 2.537 . 0 0 "[ . 1]" 2
598 1 51 ILE HA 1 51 ILE HG13 . . 3.880 3.535 3.532 3.539 . 0 0 "[ . 1]" 2
599 1 50 LYS HB2 1 91 LYS HB3 . . 4.330 2.947 2.445 3.147 . 0 0 "[ . 1]" 2
600 1 50 LYS HB2 1 91 LYS HB2 . . 4.330 3.555 2.926 3.825 . 0 0 "[ . 1]" 2
601 1 18 CYS HA 1 27 ALA MB . . 3.390 2.729 2.538 2.878 . 0 0 "[ . 1]" 2
602 1 24 ILE HA 1 27 ALA MB . . 3.430 2.835 2.525 3.218 . 0 0 "[ . 1]" 2
603 1 50 LYS HB3 1 50 LYS HE3 . . 4.640 4.002 3.474 4.342 . 0 0 "[ . 1]" 2
604 1 50 LYS HB3 1 50 LYS HE2 . . 4.640 3.412 2.765 4.278 . 0 0 "[ . 1]" 2
605 1 16 ILE HB 1 27 ALA MB . . 3.720 3.158 2.859 3.671 . 0 0 "[ . 1]" 2
606 1 18 CYS HB2 1 27 ALA MB . . 4.030 2.929 2.570 4.041 0.011 8 0 "[ . 1]" 2
607 1 74 VAL HB 1 79 ALA MB . . 3.950 2.795 2.714 3.038 . 0 0 "[ . 1]" 2
608 1 16 ILE MD 1 27 ALA MB . . 3.150 2.172 1.906 2.586 . 0 0 "[ . 1]" 2
609 1 64 LEU HB3 1 64 LEU MD1 . . 3.490 2.364 2.275 2.490 . 0 0 "[ . 1]" 2
610 1 51 ILE MG 1 74 VAL HB . . 4.730 4.721 4.641 4.754 0.024 5 0 "[ . 1]" 2
611 1 16 ILE MG 1 27 ALA MB . . 4.460 4.011 3.798 4.357 . 0 0 "[ . 1]" 2
612 1 27 ALA HA 1 31 ALA MB . . 4.720 4.447 4.145 4.721 0.001 5 0 "[ . 1]" 2
613 1 69 ILE HA 1 69 ILE HG13 . . 3.660 2.732 2.498 3.080 . 0 0 "[ . 1]" 2
614 1 30 GLU HB3 1 31 ALA MB . . 4.120 3.818 3.726 3.930 . 0 0 "[ . 1]" 2
615 1 28 ALA MB 1 33 LEU HG . . 3.590 2.976 2.445 3.556 . 0 0 "[ . 1]" 2
616 1 64 LEU HB2 1 69 ILE HG13 . . 4.170 2.783 2.616 2.953 . 0 0 "[ . 1]" 2
617 1 35 LEU HA 1 35 LEU HG . . 3.970 2.695 2.595 2.838 . 0 0 "[ . 1]" 2
618 1 7 LEU HA 1 7 LEU HG . . 3.960 2.847 2.332 3.023 . 0 0 "[ . 1]" 2
619 1 35 LEU HG 1 89 THR MG . . 3.840 2.003 1.911 2.398 . 0 0 "[ . 1]" 2
620 1 7 LEU HG 1 24 ILE MG . . 4.480 3.249 2.944 3.451 . 0 0 "[ . 1]" 2
621 1 24 ILE MG 1 87 ILE HB . . 4.410 3.632 3.473 3.827 . 0 0 "[ . 1]" 2
622 1 24 ILE MD 1 87 ILE HB . . 4.770 4.273 3.852 4.570 . 0 0 "[ . 1]" 2
623 1 7 LEU HG 1 16 ILE MD . . 4.380 3.451 3.096 4.260 . 0 0 "[ . 1]" 2
624 1 33 LEU HB2 1 35 LEU MD2 . . 4.250 3.998 3.232 4.265 0.015 10 0 "[ . 1]" 2
625 1 33 LEU HB2 1 35 LEU MD1 . . 4.250 3.254 2.942 3.624 . 0 0 "[ . 1]" 2
626 1 28 ALA HA 1 33 LEU HB2 . . 4.270 2.747 2.336 3.358 . 0 0 "[ . 1]" 2
627 1 16 ILE MG 1 33 LEU HB2 . . 4.040 3.507 3.025 4.044 0.004 5 0 "[ . 1]" 2
628 1 63 PHE HB3 1 75 LEU MD2 . . 4.180 3.449 3.181 3.745 . 0 0 "[ . 1]" 2
629 1 51 ILE HB 1 74 VAL MG2 . . 3.760 2.211 2.004 2.467 . 0 0 "[ . 1]" 2
630 1 25 LEU HB2 1 40 ARG HB2 . . 5.500 5.419 5.314 5.511 0.011 3 0 "[ . 1]" 2
631 1 40 ARG HB2 1 40 ARG HD3 . . 4.130 3.056 2.536 3.411 . 0 0 "[ . 1]" 2
632 1 40 ARG HB2 1 40 ARG HD2 . . 4.130 2.273 2.116 2.891 . 0 0 "[ . 1]" 2
633 1 16 ILE MD 1 28 ALA MB . . 3.740 2.084 1.906 2.339 . 0 0 "[ . 1]" 2
634 1 25 LEU HA 1 28 ALA MB . . 3.380 2.369 2.038 2.545 . 0 0 "[ . 1]" 2
635 1 28 ALA MB 1 33 LEU HB3 . . 3.450 2.632 2.274 2.981 . 0 0 "[ . 1]" 2
636 1 22 THR MG 1 24 ILE HA . . 5.430 5.088 4.631 5.252 . 0 0 "[ . 1]" 2
637 1 24 ILE HA 1 28 ALA MB . . 5.500 4.464 4.257 4.641 . 0 0 "[ . 1]" 2
638 1 25 LEU HB2 1 28 ALA MB . . 4.680 4.505 4.233 4.688 0.008 1 0 "[ . 1]" 2
639 1 18 CYS HA 1 22 THR MG . . 4.820 4.504 3.979 4.821 0.001 8 0 "[ . 1]" 2
640 1 22 THR MG 1 23 TYR HA . . 5.070 4.282 4.064 4.368 . 0 0 "[ . 1]" 2
641 1 22 THR HA 1 22 THR MG . . 3.220 2.076 2.014 2.176 . 0 0 "[ . 1]" 2
642 1 28 ALA MB 1 29 GLU HA . . 3.820 3.667 3.589 3.743 . 0 0 "[ . 1]" 2
643 1 22 THR MG 1 23 TYR HB3 . . 5.060 5.024 4.862 5.066 0.006 10 0 "[ . 1]" 2
644 1 22 THR MG 1 26 ASP HB2 . . 4.350 3.461 2.808 4.073 . 0 0 "[ . 1]" 2
645 1 22 THR MG 1 23 TYR HB2 . . 5.060 3.907 3.808 3.960 . 0 0 "[ . 1]" 2
646 1 8 ILE HA 1 8 ILE HG13 . . 4.050 3.767 3.755 3.786 . 0 0 "[ . 1]" 2
647 1 8 ILE HG13 1 8 ILE MG . . 3.470 2.267 2.231 2.308 . 0 0 "[ . 1]" 2
648 1 53 ALA MB 1 85 CYS HA . . 4.020 3.957 3.623 4.049 0.029 8 0 "[ . 1]" 2
649 1 52 THR HA 1 53 ALA MB . . 5.500 4.807 4.432 4.919 . 0 0 "[ . 1]" 2
650 1 25 LEU HG 1 26 ASP HA . . 4.040 3.770 3.480 4.095 0.055 5 0 "[ . 1]" 2
651 1 40 ARG HA 1 40 ARG HG3 . . 4.160 3.666 3.648 3.727 . 0 0 "[ . 1]" 2
652 1 53 ALA MB 1 86 THR HB . . 3.000 2.765 1.880 3.010 0.010 2 0 "[ . 1]" 2
653 1 52 THR MG 1 53 ALA MB . . 3.920 2.703 2.515 3.045 . 0 0 "[ . 1]" 2
654 1 6 LYS HG3 1 8 ILE MD . . 3.870 3.312 2.406 3.738 . 0 0 "[ . 1]" 2
655 1 9 THR HB 1 10 PRO HG2 . . 4.210 3.868 3.852 3.883 . 0 0 "[ . 1]" 2
656 1 25 LEU HG 1 77 CYS HA . . 4.790 4.406 4.267 4.609 . 0 0 "[ . 1]" 2
657 1 42 GLY HA3 1 43 ALA MB . . 5.220 4.188 4.074 4.232 . 0 0 "[ . 1]" 2
658 1 42 GLY HA2 1 43 ALA MB . . 5.220 4.258 4.201 4.299 . 0 0 "[ . 1]" 2
659 1 58 GLN HB2 1 79 ALA HA . . 4.570 4.344 4.172 4.472 . 0 0 "[ . 1]" 2
660 1 9 THR MG 1 89 THR HB . . 4.070 3.853 3.652 4.022 . 0 0 "[ . 1]" 2
661 1 9 THR MG 1 14 SER HB2 . . 4.970 3.759 3.454 4.019 . 0 0 "[ . 1]" 2
662 1 58 GLN HB2 1 78 VAL HB . . 4.460 4.226 3.908 4.466 0.006 1 0 "[ . 1]" 2
663 1 9 THR MG 1 13 GLU HA . . 4.140 3.774 3.671 3.854 . 0 0 "[ . 1]" 2
664 1 9 THR MG 1 89 THR MG . . 2.970 2.482 2.225 2.661 . 0 0 "[ . 1]" 2
665 1 8 ILE MG 1 9 THR MG . . 4.300 4.156 4.102 4.181 . 0 0 "[ . 1]" 2
666 1 64 LEU HB2 1 68 GLN HB2 . . 5.150 3.827 3.707 4.005 . 0 0 "[ . 1]" 2
667 1 64 LEU HB2 1 68 GLN HB3 . . 5.150 4.114 3.737 4.614 . 0 0 "[ . 1]" 2
668 1 33 LEU HB3 1 33 LEU MD2 . . 3.650 2.963 2.392 3.194 . 0 0 "[ . 1]" 2
669 1 5 VAL HB 1 16 ILE HG13 . . 3.840 2.228 2.038 2.696 . 0 0 "[ . 1]" 2
670 1 33 LEU HB3 1 35 LEU MD2 . . 4.850 3.367 2.887 4.015 . 0 0 "[ . 1]" 2
671 1 48 ALA MB 1 49 GLY HA3 . . 4.940 4.614 4.585 4.652 . 0 0 "[ . 1]" 2
672 1 48 ALA MB 1 75 LEU HA . . 4.150 3.126 2.998 3.260 . 0 0 "[ . 1]" 2
673 1 45 SER HA 1 48 ALA MB . . 3.580 2.430 2.299 2.733 . 0 0 "[ . 1]" 2
674 1 48 ALA MB 1 64 LEU MD2 . . 3.620 3.096 2.682 3.255 . 0 0 "[ . 1]" 2
675 1 48 ALA MB 1 74 VAL MG2 . . 4.600 4.466 4.336 4.550 . 0 0 "[ . 1]" 2
676 1 5 VAL MG2 1 24 ILE HG12 . . 3.760 2.733 2.352 2.967 . 0 0 "[ . 1]" 2
677 1 24 ILE HG12 1 87 ILE MD . . 4.040 2.711 2.395 3.075 . 0 0 "[ . 1]" 2
678 1 49 GLY HA3 1 76 THR MG . . 4.110 3.171 2.948 3.312 . 0 0 "[ . 1]" 2
679 1 68 GLN HG3 1 95 LEU HG . . 5.230 4.503 4.376 4.683 . 0 0 "[ . 1]" 2
680 1 48 ALA HA 1 76 THR MG . . 4.120 3.532 3.284 3.930 . 0 0 "[ . 1]" 2
681 1 75 LEU HA 1 76 THR MG . . 4.150 3.788 3.643 3.991 . 0 0 "[ . 1]" 2
682 1 76 THR MG 1 89 THR HA . . 4.800 4.087 3.864 4.190 . 0 0 "[ . 1]" 2
683 1 76 THR HA 1 76 THR MG . . 2.840 2.382 2.294 2.435 . 0 0 "[ . 1]" 2
684 1 24 ILE HB 1 76 THR MG . . 3.980 3.155 3.002 3.404 . 0 0 "[ . 1]" 2
685 1 76 THR MG 1 79 ALA MB . . 3.810 3.682 3.570 3.734 . 0 0 "[ . 1]" 2
686 1 25 LEU HB2 1 76 THR MG . . 4.700 4.390 4.175 4.540 . 0 0 "[ . 1]" 2
687 1 24 ILE MG 1 76 THR MG . . 3.710 2.934 2.637 3.305 . 0 0 "[ . 1]" 2
688 1 24 ILE MD 1 76 THR MG . . 3.840 2.965 2.840 3.225 . 0 0 "[ . 1]" 2
689 1 74 VAL MG2 1 76 THR MG . . 3.440 3.134 2.991 3.212 . 0 0 "[ . 1]" 2
690 1 76 THR MG 1 87 ILE MD . . 3.820 3.286 2.979 3.481 . 0 0 "[ . 1]" 2
691 1 76 THR MG 1 87 ILE MG . . 3.180 2.143 1.994 2.344 . 0 0 "[ . 1]" 2
692 1 5 VAL HB 1 16 ILE HG12 . . 3.840 3.397 2.966 3.626 . 0 0 "[ . 1]" 2
693 1 95 LEU HA 1 95 LEU HG . . 3.850 3.448 3.278 3.527 . 0 0 "[ . 1]" 2
694 1 3 TYR HA 1 4 THR MG . . 4.290 3.849 3.736 3.973 . 0 0 "[ . 1]" 2
695 1 7 LEU HB2 1 15 SER HA . . 4.530 4.278 4.105 4.533 0.003 9 0 "[ . 1]" 2
696 1 7 LEU HA 1 89 THR MG . . 4.130 3.239 3.107 3.402 . 0 0 "[ . 1]" 2
697 1 4 THR HA 1 4 THR MG . . 3.350 3.190 3.182 3.202 . 0 0 "[ . 1]" 2
698 1 8 ILE HG12 1 8 ILE MG . . 3.280 3.192 3.182 3.199 . 0 0 "[ . 1]" 2
699 1 9 THR HA 1 89 THR MG . . 4.410 4.129 3.829 4.313 . 0 0 "[ . 1]" 2
700 1 86 THR HA 1 86 THR MG . . 3.130 2.319 2.296 2.347 . 0 0 "[ . 1]" 2
701 1 8 ILE HG12 1 88 GLU HA . . 3.930 3.118 3.031 3.214 . 0 0 "[ . 1]" 2
702 1 4 THR MG 1 5 VAL HA . . 4.960 4.216 4.066 4.299 . 0 0 "[ . 1]" 2
703 1 6 LYS HA 1 86 THR MG . . 5.500 4.402 4.147 4.524 . 0 0 "[ . 1]" 2
704 1 86 THR MG 1 87 ILE HA . . 5.460 4.331 4.172 4.408 . 0 0 "[ . 1]" 2
705 1 35 LEU HA 1 89 THR MG . . 5.010 4.061 3.847 4.532 . 0 0 "[ . 1]" 2
706 1 51 ILE HA 1 86 THR MG . . 5.500 5.003 4.902 5.122 . 0 0 "[ . 1]" 2
707 1 89 THR HA 1 89 THR MG . . 2.990 2.466 2.395 2.504 . 0 0 "[ . 1]" 2
708 1 6 LYS HE3 1 86 THR MG . . 4.580 3.951 3.071 4.458 . 0 0 "[ . 1]" 2
709 1 8 ILE HG12 1 88 GLU HG2 . . 4.810 2.964 2.475 3.457 . 0 0 "[ . 1]" 2
710 1 86 THR MG 1 88 GLU HG2 . . 5.050 3.523 3.044 3.797 . 0 0 "[ . 1]" 2
711 1 8 ILE HG12 1 88 GLU HB3 . . 5.500 5.044 4.843 5.226 . 0 0 "[ . 1]" 2
712 1 53 ALA MB 1 86 THR MG . . 4.490 3.902 3.096 4.159 . 0 0 "[ . 1]" 2
713 1 35 LEU MD2 1 89 THR MG . . 4.030 2.095 1.881 2.322 . 0 0 "[ . 1]" 2
714 1 7 LEU HB2 1 33 LEU MD2 . . 4.360 4.045 3.467 4.331 . 0 0 "[ . 1]" 2
715 1 8 ILE MD 1 86 THR MG . . 3.130 2.150 1.933 2.335 . 0 0 "[ . 1]" 2
716 1 35 LEU MD1 1 89 THR MG . . 4.030 2.325 2.111 2.618 . 0 0 "[ . 1]" 2
717 1 69 ILE HA 1 69 ILE HG12 . . 3.660 2.866 2.529 3.393 . 0 0 "[ . 1]" 2
718 1 64 LEU HB2 1 69 ILE HG12 . . 4.170 3.440 3.098 3.875 . 0 0 "[ . 1]" 2
719 1 64 LEU MD1 1 69 ILE HG12 . . 3.670 2.518 1.960 2.964 . 0 0 "[ . 1]" 2
720 1 51 ILE HA 1 52 THR MG . . 3.660 3.441 3.357 3.672 0.012 6 0 "[ . 1]" 2
721 1 35 LEU MD2 1 36 PRO HD2 . . 3.960 3.476 3.247 3.767 . 0 0 "[ . 1]" 2
722 1 52 THR HA 1 52 THR MG . . 3.260 3.189 3.171 3.193 . 0 0 "[ . 1]" 2
723 1 52 THR MG 1 86 THR HB . . 4.210 3.988 3.791 4.232 0.022 6 0 "[ . 1]" 2
724 1 50 LYS HE3 1 52 THR MG . . 5.230 4.452 4.024 5.239 0.009 8 0 "[ . 1]" 2
725 1 50 LYS HE2 1 52 THR MG . . 5.230 4.663 4.253 5.036 . 0 0 "[ . 1]" 2
726 1 58 GLN HB3 1 79 ALA MB . . 3.730 3.228 3.066 3.308 . 0 0 "[ . 1]" 2
727 1 50 LYS HG2 1 52 THR MG . . 4.060 3.981 3.639 4.067 0.007 10 0 "[ . 1]" 2
728 1 24 ILE HG12 1 79 ALA MB . . 4.260 4.132 4.011 4.264 0.004 9 0 "[ . 1]" 2
729 1 56 VAL HA 1 79 ALA MB . . 4.300 4.364 4.341 4.380 0.080 4 0 "[ . 1]" 2
730 1 76 THR HB 1 79 ALA MB . . 4.500 4.319 4.227 4.435 . 0 0 "[ . 1]" 2
731 1 56 VAL HB 1 79 ALA MB . . 3.710 2.254 2.159 2.338 . 0 0 "[ . 1]" 2
732 1 7 LEU HB3 1 35 LEU MD2 . . 4.230 3.247 2.713 4.237 0.007 5 0 "[ . 1]" 2
733 1 24 ILE HB 1 79 ALA MB . . 4.500 3.454 3.183 3.761 . 0 0 "[ . 1]" 2
734 1 24 ILE MD 1 79 ALA MB . . 3.170 1.780 1.724 1.854 . 0 0 "[ . 1]" 2
735 1 76 THR HA 1 79 ALA MB . . 3.030 2.341 2.262 2.416 . 0 0 "[ . 1]" 2
736 1 56 VAL MG2 1 79 ALA MB . . 3.620 2.736 2.573 2.990 . 0 0 "[ . 1]" 2
737 1 69 ILE HA 1 69 ILE MG . . 3.120 2.334 2.233 2.383 . 0 0 "[ . 1]" 2
738 1 69 ILE HG13 1 69 ILE MG . . 3.500 3.110 2.878 3.203 . 0 0 "[ . 1]" 2
739 1 69 ILE HG12 1 69 ILE MG . . 3.500 2.237 2.063 2.410 . 0 0 "[ . 1]" 2
740 1 64 LEU MD2 1 75 LEU MD1 . . 3.820 3.643 3.521 3.831 0.011 2 0 "[ . 1]" 2
741 1 69 ILE MD 1 69 ILE MG . . 3.190 2.377 1.949 2.950 . 0 0 "[ . 1]" 2
742 1 46 THR MG 1 47 CYS HA . . 4.130 3.363 3.106 3.437 . 0 0 "[ . 1]" 2
743 1 37 TYR HA 1 46 THR MG . . 2.970 2.296 1.912 2.416 . 0 0 "[ . 1]" 2
744 1 46 THR HA 1 46 THR MG . . 3.250 3.180 3.141 3.199 . 0 0 "[ . 1]" 2
745 1 38 SER HB2 1 46 THR MG . . 4.160 2.682 2.072 3.237 . 0 0 "[ . 1]" 2
746 1 38 SER HB3 1 46 THR MG . . 4.160 2.643 2.228 3.362 . 0 0 "[ . 1]" 2
747 1 37 TYR HB3 1 46 THR MG . . 4.510 4.384 3.956 4.516 0.006 3 0 "[ . 1]" 2
748 1 37 TYR HB2 1 46 THR MG . . 4.190 4.112 3.745 4.235 0.045 8 0 "[ . 1]" 2
749 1 58 GLN HG3 1 69 ILE MG . . 4.250 3.590 3.282 3.923 . 0 0 "[ . 1]" 2
750 1 46 THR MG 1 47 CYS HB2 . . 4.440 4.103 3.789 4.257 . 0 0 "[ . 1]" 2
751 1 25 LEU HB2 1 76 THR HB . . 4.030 3.013 2.893 3.189 . 0 0 "[ . 1]" 2
752 1 25 LEU HB2 1 76 THR HA . . 5.230 4.470 4.242 4.691 . 0 0 "[ . 1]" 2
753 1 63 PHE HB3 1 75 LEU MD1 . . 4.180 2.476 2.311 2.633 . 0 0 "[ . 1]" 2
754 1 75 LEU HB3 1 75 LEU MD1 . . 3.630 2.264 2.212 2.315 . 0 0 "[ . 1]" 2
755 1 75 LEU HA 1 75 LEU MD1 . . 4.230 3.794 3.766 3.829 . 0 0 "[ . 1]" 2
756 1 64 LEU MD1 1 75 LEU MD1 . . 3.660 3.336 2.975 3.636 . 0 0 "[ . 1]" 2
757 1 25 LEU HB2 1 25 LEU MD1 . . 3.450 2.390 2.311 2.442 . 0 0 "[ . 1]" 2
758 1 8 ILE MG 1 88 GLU HA . . 4.420 3.739 3.641 3.861 . 0 0 "[ . 1]" 2
759 1 8 ILE HA 1 8 ILE MG . . 3.280 2.232 2.188 2.296 . 0 0 "[ . 1]" 2
760 1 25 LEU HB2 1 77 CYS HA . . 3.740 2.589 2.254 3.164 . 0 0 "[ . 1]" 2
761 1 5 VAL MG2 1 24 ILE HA . . 5.160 4.095 3.811 4.217 . 0 0 "[ . 1]" 2
762 1 8 ILE MG 1 13 GLU HG3 . . 3.550 3.468 3.220 3.551 0.001 3 0 "[ . 1]" 2
763 1 8 ILE MG 1 88 GLU HB3 . . 4.660 4.108 3.805 4.405 . 0 0 "[ . 1]" 2
764 1 8 ILE MG 1 13 GLU HG2 . . 3.710 2.898 2.539 3.368 . 0 0 "[ . 1]" 2
765 1 5 VAL MG2 1 24 ILE MG . . 3.340 3.217 2.982 3.343 0.003 1 0 "[ . 1]" 2
766 1 5 VAL MG2 1 87 ILE MD . . 4.000 3.221 3.044 3.341 . 0 0 "[ . 1]" 2
767 1 8 ILE MD 1 8 ILE MG . . 3.110 2.053 1.964 2.154 . 0 0 "[ . 1]" 2
768 1 7 LEU HB3 1 33 LEU MD2 . . 4.970 4.790 3.549 4.977 0.007 8 0 "[ . 1]" 2
769 1 33 LEU HB3 1 33 LEU MD1 . . 3.650 2.211 2.152 2.289 . 0 0 "[ . 1]" 2
770 1 7 LEU HB2 1 33 LEU MD1 . . 4.360 2.475 2.248 2.801 . 0 0 "[ . 1]" 2
771 1 50 LYS HA 1 50 LYS HG3 . . 3.870 2.367 2.172 2.507 . 0 0 "[ . 1]" 2
772 1 25 LEU MD2 1 40 ARG HA . . 4.220 1.998 1.902 2.114 . 0 0 "[ . 1]" 2
773 1 50 LYS HG3 1 72 GLY HA3 . . 4.530 3.148 2.932 3.372 . 0 0 "[ . 1]" 2
774 1 51 ILE MG 1 72 GLY HA2 . . 3.680 3.001 2.660 3.432 . 0 0 "[ . 1]" 2
775 1 51 ILE MD 1 51 ILE MG . . 3.220 1.888 1.881 1.897 . 0 0 "[ . 1]" 2
776 1 51 ILE MG 1 74 VAL MG1 . . 3.390 2.473 2.383 2.536 . 0 0 "[ . 1]" 2
777 1 35 LEU HA 1 35 LEU MD1 . . 4.210 2.168 2.000 2.292 . 0 0 "[ . 1]" 2
778 1 25 LEU HB3 1 25 LEU MD2 . . 3.530 2.264 2.148 2.324 . 0 0 "[ . 1]" 2
779 1 25 LEU MD2 1 37 TYR HB3 . . 3.840 2.504 2.402 2.612 . 0 0 "[ . 1]" 2
780 1 25 LEU MD2 1 37 TYR HB2 . . 3.980 1.963 1.890 2.051 . 0 0 "[ . 1]" 2
781 1 25 LEU MD2 1 77 CYS HB2 . . 4.180 2.736 2.484 2.987 . 0 0 "[ . 1]" 2
782 1 5 VAL MG1 1 24 ILE HG12 . . 3.760 2.354 2.094 2.619 . 0 0 "[ . 1]" 2
783 1 51 ILE MG 1 55 SER HA . . 4.000 3.492 3.194 3.763 . 0 0 "[ . 1]" 2
784 1 25 LEU MD2 1 77 CYS HA . . 3.660 2.438 2.171 2.720 . 0 0 "[ . 1]" 2
785 1 25 LEU MD2 1 26 ASP HA . . 4.960 4.694 4.456 4.962 0.002 2 0 "[ . 1]" 2
786 1 25 LEU MD2 1 37 TYR HA . . 5.150 3.798 3.604 4.051 . 0 0 "[ . 1]" 2
787 1 5 VAL MG1 1 24 ILE HA . . 5.160 4.164 4.028 4.332 . 0 0 "[ . 1]" 2
788 1 35 LEU MD1 1 36 PRO HD2 . . 3.960 3.395 3.326 3.492 . 0 0 "[ . 1]" 2
789 1 25 LEU MD2 1 77 CYS HB3 . . 4.080 2.291 1.903 2.577 . 0 0 "[ . 1]" 2
790 1 25 LEU MD2 1 40 ARG HB3 . . 3.820 2.056 1.920 2.252 . 0 0 "[ . 1]" 2
791 1 7 LEU HB3 1 35 LEU MD1 . . 4.230 2.979 2.682 3.418 . 0 0 "[ . 1]" 2
792 1 6 LYS HB2 1 8 ILE MD . . 5.500 4.397 4.283 4.503 . 0 0 "[ . 1]" 2
793 1 25 LEU MD2 1 40 ARG HB2 . . 2.880 2.274 1.950 2.510 . 0 0 "[ . 1]" 2
794 1 25 LEU HB2 1 25 LEU MD2 . . 3.080 2.419 2.369 2.488 . 0 0 "[ . 1]" 2
795 1 5 VAL MG1 1 24 ILE MG . . 3.340 2.119 1.844 2.294 . 0 0 "[ . 1]" 2
796 1 33 LEU HB3 1 35 LEU MD1 . . 4.850 1.965 1.881 2.121 . 0 0 "[ . 1]" 2
797 1 15 SER HA 1 16 ILE MG . . 4.270 3.960 3.825 4.119 . 0 0 "[ . 1]" 2
798 1 16 ILE MG 1 28 ALA HA . . 3.340 2.303 2.081 2.423 . 0 0 "[ . 1]" 2
799 1 25 LEU HA 1 25 LEU MD2 . . 3.970 3.874 3.818 3.902 . 0 0 "[ . 1]" 2
800 1 6 LYS HG2 1 8 ILE MD . . 3.870 2.212 1.974 2.387 . 0 0 "[ . 1]" 2
801 1 8 ILE MD 1 13 GLU HA . . 3.990 3.751 3.654 3.814 . 0 0 "[ . 1]" 2
802 1 8 ILE MD 1 88 GLU HA . . 4.520 4.463 4.374 4.522 0.002 2 0 "[ . 1]" 2
803 1 8 ILE HA 1 8 ILE MD . . 3.650 2.123 1.989 2.216 . 0 0 "[ . 1]" 2
804 1 14 SER HB2 1 16 ILE MG . . 4.420 4.149 3.607 4.426 0.006 5 0 "[ . 1]" 2
805 1 6 LYS HE3 1 8 ILE MD . . 4.320 3.456 2.440 4.186 . 0 0 "[ . 1]" 2
806 1 6 LYS HE2 1 8 ILE MD . . 4.320 3.142 2.375 4.319 . 0 0 "[ . 1]" 2
807 1 8 ILE MD 1 13 GLU HG3 . . 3.800 3.629 3.248 3.769 . 0 0 "[ . 1]" 2
808 1 8 ILE MD 1 13 GLU HG2 . . 3.870 2.244 2.133 2.390 . 0 0 "[ . 1]" 2
809 1 8 ILE HB 1 8 ILE MD . . 3.580 3.223 3.215 3.230 . 0 0 "[ . 1]" 2
810 1 8 ILE MD 1 13 GLU HB3 . . 3.800 3.555 3.463 3.606 . 0 0 "[ . 1]" 2
811 1 16 ILE MG 1 31 ALA MB . . 3.600 2.376 2.124 2.660 . 0 0 "[ . 1]" 2
812 1 16 ILE MD 1 16 ILE MG . . 2.520 2.173 1.920 2.521 0.001 5 0 "[ . 1]" 2
813 1 56 VAL HA 1 56 VAL MG2 . . 3.430 3.194 3.183 3.200 . 0 0 "[ . 1]" 2
814 1 65 ASP HA 1 69 ILE MD . . 4.160 3.580 2.959 4.161 0.001 4 0 "[ . 1]" 2
815 1 69 ILE HA 1 69 ILE MD . . 3.900 3.837 3.688 3.883 . 0 0 "[ . 1]" 2
816 1 64 LEU MD2 1 74 VAL HA . . 4.920 4.770 4.614 4.922 0.002 4 0 "[ . 1]" 2
817 1 64 LEU HA 1 64 LEU MD2 . . 3.070 2.067 2.004 2.179 . 0 0 "[ . 1]" 2
818 1 63 PHE HB3 1 64 LEU MD2 . . 4.310 3.237 2.758 3.935 . 0 0 "[ . 1]" 2
819 1 64 LEU MD2 1 73 TYR HB3 . . 3.660 3.548 3.366 3.668 0.008 6 0 "[ . 1]" 2
820 1 64 LEU MD2 1 68 GLN HG3 . . 4.080 2.931 2.322 3.337 . 0 0 "[ . 1]" 2
821 1 64 LEU MD2 1 73 TYR HB2 . . 3.740 3.063 2.846 3.321 . 0 0 "[ . 1]" 2
822 1 64 LEU MD2 1 68 GLN HB2 . . 4.300 2.715 2.427 3.050 . 0 0 "[ . 1]" 2
823 1 64 LEU MD2 1 68 GLN HB3 . . 4.300 2.001 1.906 2.200 . 0 0 "[ . 1]" 2
824 1 56 VAL MG2 1 58 GLN HB3 . . 4.800 3.779 3.723 3.820 . 0 0 "[ . 1]" 2
825 1 64 LEU MD2 1 68 GLN HG2 . . 4.000 1.956 1.881 2.143 . 0 0 "[ . 1]" 2
826 1 64 LEU MD2 1 75 LEU MD2 . . 3.820 2.879 2.694 2.956 . 0 0 "[ . 1]" 2
827 1 24 ILE MG 1 28 ALA MB . . 4.230 2.949 2.752 3.171 . 0 0 "[ . 1]" 2
828 1 64 LEU HB2 1 69 ILE MD . . 3.350 2.626 2.278 3.156 . 0 0 "[ . 1]" 2
829 1 56 VAL MG2 1 74 VAL MG1 . . 3.190 1.895 1.851 1.966 . 0 0 "[ . 1]" 2
830 1 64 LEU MD2 1 95 LEU MD1 . . 3.330 2.460 2.134 2.737 . 0 0 "[ . 1]" 2
831 1 24 ILE MG 1 76 THR HB . . 3.610 3.026 2.757 3.244 . 0 0 "[ . 1]" 2
832 1 24 ILE MD 1 76 THR HB . . 3.980 3.514 3.224 3.852 . 0 0 "[ . 1]" 2
833 1 24 ILE HA 1 24 ILE MG . . 3.170 2.375 2.293 2.404 . 0 0 "[ . 1]" 2
834 1 24 ILE MD 1 76 THR HA . . 3.600 2.443 2.160 3.043 . 0 0 "[ . 1]" 2
835 1 24 ILE HB 1 24 ILE MD . . 3.600 2.106 2.022 2.361 . 0 0 "[ . 1]" 2
836 1 51 ILE HA 1 51 ILE HG12 . . 3.880 2.418 2.409 2.424 . 0 0 "[ . 1]" 2
837 1 24 ILE MD 1 87 ILE MD . . 3.040 1.928 1.770 2.174 . 0 0 "[ . 1]" 2
838 1 5 VAL HA 1 87 ILE MD . . 4.290 3.715 3.629 3.783 . 0 0 "[ . 1]" 2
839 1 87 ILE HA 1 87 ILE MD . . 4.020 3.702 3.610 3.770 . 0 0 "[ . 1]" 2
840 1 16 ILE MD 1 27 ALA HA . . 4.410 4.015 3.761 4.368 . 0 0 "[ . 1]" 2
841 1 16 ILE MD 1 28 ALA HA . . 3.180 2.010 1.881 2.503 . 0 0 "[ . 1]" 2
842 1 16 ILE MD 1 24 ILE HA . . 3.940 3.282 3.217 3.344 . 0 0 "[ . 1]" 2
843 1 16 ILE HB 1 16 ILE MD . . 3.200 2.280 2.125 2.449 . 0 0 "[ . 1]" 2
844 1 64 LEU MD1 1 69 ILE HG13 . . 3.670 2.376 1.912 3.374 . 0 0 "[ . 1]" 2
845 1 64 LEU HA 1 64 LEU MD1 . . 4.030 3.912 3.866 3.962 . 0 0 "[ . 1]" 2
846 1 64 LEU MD1 1 68 GLN HB2 . . 4.710 3.564 3.158 4.187 . 0 0 "[ . 1]" 2
847 1 64 LEU MD1 1 68 GLN HB3 . . 4.710 2.711 2.359 3.017 . 0 0 "[ . 1]" 2
848 1 64 LEU MD1 1 75 LEU HG . . 3.540 2.251 1.925 2.586 . 0 0 "[ . 1]" 2
849 1 87 ILE HB 1 87 ILE MD . . 3.290 2.172 2.106 2.203 . 0 0 "[ . 1]" 2
850 1 64 LEU MD1 1 75 LEU MD2 . . 3.660 3.045 2.576 3.364 . 0 0 "[ . 1]" 2
851 1 48 ALA MB 1 64 LEU MD1 . . 4.480 3.185 2.553 3.527 . 0 0 "[ . 1]" 2
852 1 5 VAL MG1 1 87 ILE MD . . 4.000 1.789 1.777 1.812 . 0 0 "[ . 1]" 2
853 1 64 LEU MD1 1 74 VAL HA . . 3.530 2.786 2.480 2.974 . 0 0 "[ . 1]" 2
854 1 76 THR HB 1 87 ILE MD . . 4.900 4.723 4.520 4.898 . 0 0 "[ . 1]" 2
855 1 61 GLN HB2 1 64 LEU MD1 . . 4.920 3.969 3.666 4.385 . 0 0 "[ . 1]" 2
856 1 61 GLN HB3 1 64 LEU MD1 . . 4.920 4.186 3.866 4.651 . 0 0 "[ . 1]" 2
857 1 63 PHE HB3 1 64 LEU MD1 . . 5.020 4.473 4.332 4.606 . 0 0 "[ . 1]" 2
858 1 64 LEU MD1 1 68 GLN HG2 . . 4.460 4.173 4.031 4.270 . 0 0 "[ . 1]" 2
859 1 56 VAL HA 1 56 VAL MG1 . . 3.430 2.289 2.213 2.339 . 0 0 "[ . 1]" 2
860 1 16 ILE MD 1 17 GLU HA . . 5.500 4.986 4.131 5.383 . 0 0 "[ . 1]" 2
861 1 64 LEU MD1 1 73 TYR HA . . 5.500 4.697 4.324 4.965 . 0 0 "[ . 1]" 2
862 1 16 ILE HA 1 16 ILE MD . . 4.280 4.150 4.077 4.180 . 0 0 "[ . 1]" 2
863 1 55 SER HA 1 56 VAL MG1 . . 4.290 3.622 3.496 3.880 . 0 0 "[ . 1]" 2
864 1 64 LEU MD1 1 75 LEU HA . . 4.800 4.201 3.646 4.528 . 0 0 "[ . 1]" 2
865 1 76 THR HA 1 87 ILE MD . . 5.330 4.620 4.264 4.917 . 0 0 "[ . 1]" 2
866 1 85 CYS HB3 1 87 ILE MD . . 4.620 4.324 4.173 4.579 . 0 0 "[ . 1]" 2
867 1 85 CYS HB2 1 87 ILE MD . . 4.620 3.492 3.227 4.039 . 0 0 "[ . 1]" 2
868 1 56 VAL MG1 1 79 ALA MB . . 3.620 2.519 2.355 2.658 . 0 0 "[ . 1]" 2
869 1 56 VAL MG1 1 74 VAL MG1 . . 3.490 3.479 3.367 3.521 0.031 6 0 "[ . 1]" 2
870 1 87 ILE MD 1 87 ILE MG . . 3.220 2.855 2.733 2.975 . 0 0 "[ . 1]" 2
871 1 73 TYR HA 1 74 VAL MG2 . . 4.000 3.814 3.760 3.873 . 0 0 "[ . 1]" 2
872 1 74 VAL HA 1 74 VAL MG2 . . 3.610 3.191 3.186 3.202 . 0 0 "[ . 1]" 2
873 1 49 GLY HA3 1 74 VAL MG2 . . 4.030 3.392 3.121 3.645 . 0 0 "[ . 1]" 2
874 1 51 ILE HA 1 51 ILE MD . . 3.700 2.174 2.160 2.209 . 0 0 "[ . 1]" 2
875 1 74 VAL MG2 1 76 THR HA . . 3.900 3.866 3.758 3.918 0.018 1 0 "[ . 1]" 2
876 1 49 GLY HA2 1 74 VAL MG2 . . 4.700 4.439 4.195 4.651 . 0 0 "[ . 1]" 2
877 1 51 ILE MD 1 86 THR MG . . 4.040 3.996 3.878 4.060 0.020 6 0 "[ . 1]" 2
878 1 51 ILE MD 1 52 THR MG . . 3.780 3.260 3.074 3.646 . 0 0 "[ . 1]" 2
879 1 74 VAL MG2 1 79 ALA MB . . 3.920 2.903 2.846 3.021 . 0 0 "[ . 1]" 2
880 1 61 GLN HA 1 78 VAL MG2 . . 3.940 2.415 2.229 2.641 . 0 0 "[ . 1]" 2
881 1 42 GLY HA3 1 78 VAL MG2 . . 3.900 3.059 2.775 3.202 . 0 0 "[ . 1]" 2
882 1 42 GLY HA2 1 78 VAL MG2 . . 3.900 2.458 1.968 2.622 . 0 0 "[ . 1]" 2
883 1 78 VAL HA 1 78 VAL MG2 . . 3.620 3.185 3.164 3.191 . 0 0 "[ . 1]" 2
884 1 94 ASP HB3 1 95 LEU MD2 . . 5.340 2.752 2.345 3.201 . 0 0 "[ . 1]" 2
885 1 60 ASP HB3 1 78 VAL MG2 . . 4.590 4.300 3.977 4.551 . 0 0 "[ . 1]" 2
886 1 60 ASP HB2 1 78 VAL MG2 . . 4.590 4.370 4.130 4.591 0.001 8 0 "[ . 1]" 2
887 1 73 TYR HB2 1 95 LEU MD2 . . 4.810 3.684 3.222 4.027 . 0 0 "[ . 1]" 2
888 1 94 ASP HB2 1 95 LEU MD2 . . 5.340 3.209 2.799 3.824 . 0 0 "[ . 1]" 2
889 1 73 TYR HB3 1 95 LEU MD2 . . 4.270 3.915 3.527 4.269 . 0 0 "[ . 1]" 2
890 1 64 LEU MD2 1 95 LEU MD2 . . 3.330 3.322 3.247 3.357 0.027 8 0 "[ . 1]" 2
891 1 56 VAL HB 1 74 VAL MG1 . . 4.230 4.245 4.226 4.268 0.038 6 0 "[ . 1]" 2
892 1 74 VAL HA 1 74 VAL MG1 . . 3.460 2.385 2.306 2.438 . 0 0 "[ . 1]" 2
893 1 51 ILE HB 1 74 VAL MG1 . . 3.840 2.833 2.602 3.067 . 0 0 "[ . 1]" 2
894 1 69 ILE MG 1 74 VAL MG1 . . 3.450 3.061 2.453 3.409 . 0 0 "[ . 1]" 2
895 1 25 LEU MD1 1 37 TYR HB3 . . 3.500 1.947 1.869 2.129 . 0 0 "[ . 1]" 2
896 1 25 LEU MD1 1 47 CYS HB2 . . 4.280 3.688 3.113 4.321 0.041 5 0 "[ . 1]" 2
897 1 25 LEU MD1 1 37 TYR HB2 . . 3.680 2.857 2.737 2.951 . 0 0 "[ . 1]" 2
898 1 25 LEU HB3 1 25 LEU MD1 . . 3.420 3.189 3.177 3.195 . 0 0 "[ . 1]" 2
899 1 24 ILE MG 1 25 LEU MD1 . . 4.790 4.502 4.291 4.729 . 0 0 "[ . 1]" 2
900 1 50 LYS HG2 1 72 GLY HA3 . . 4.150 4.018 3.548 4.155 0.005 10 0 "[ . 1]" 2
901 1 49 GLY HA3 1 87 ILE MG . . 4.000 1.983 1.967 2.005 . 0 0 "[ . 1]" 2
902 1 87 ILE MG 1 89 THR HA . . 3.870 3.537 3.423 3.677 . 0 0 "[ . 1]" 2
903 1 49 GLY HA2 1 87 ILE MG . . 3.780 3.296 3.258 3.336 . 0 0 "[ . 1]" 2
904 1 87 ILE MG 1 89 THR MG . . 3.450 3.034 2.901 3.276 . 0 0 "[ . 1]" 2
905 1 24 ILE MG 1 87 ILE MG . . 4.510 3.799 3.557 4.119 . 0 0 "[ . 1]" 2
906 1 24 ILE MD 1 87 ILE MG . . 3.840 3.556 3.285 3.838 . 0 0 "[ . 1]" 2
907 1 74 VAL MG2 1 87 ILE MG . . 3.010 2.530 2.503 2.549 . 0 0 "[ . 1]" 2
908 1 74 VAL MG1 1 87 ILE MG . . 4.510 4.505 4.455 4.522 0.012 4 0 "[ . 1]" 2
909 1 60 ASP HB3 1 78 VAL MG1 . . 4.590 2.901 2.578 3.171 . 0 0 "[ . 1]" 2
910 1 60 ASP HB2 1 78 VAL MG1 . . 4.590 3.473 3.164 3.714 . 0 0 "[ . 1]" 2
911 1 61 GLN HA 1 78 VAL MG1 . . 3.940 3.337 3.030 3.498 . 0 0 "[ . 1]" 2
912 1 42 GLY HA3 1 78 VAL MG1 . . 3.900 2.013 1.873 2.238 . 0 0 "[ . 1]" 2
913 1 42 GLY HA2 1 78 VAL MG1 . . 3.900 2.328 2.217 2.520 . 0 0 "[ . 1]" 2
914 1 78 VAL HA 1 78 VAL MG1 . . 3.620 2.170 2.119 2.206 . 0 0 "[ . 1]" 2
915 1 94 ASP HB2 1 95 LEU MD1 . . 5.340 5.005 4.830 5.250 . 0 0 "[ . 1]" 2
916 1 73 TYR HB3 1 95 LEU MD1 . . 4.270 3.894 3.322 4.273 0.003 3 0 "[ . 1]" 2
917 1 68 GLN HG2 1 95 LEU MD1 . . 4.330 2.503 2.027 3.141 . 0 0 "[ . 1]" 2
918 1 85 CYS HA 1 86 THR HB . . 4.760 4.614 4.596 4.644 . 0 0 "[ . 1]" 2
919 1 23 TYR HA 1 80 TYR HA . . 4.680 4.089 3.763 4.264 . 0 0 "[ . 1]" 2
920 1 15 SER HA 1 16 ILE MD . . 5.500 5.406 5.232 5.513 0.013 5 0 "[ . 1]" 2
921 1 86 THR HA 1 87 ILE MD . . 4.780 3.941 3.668 4.235 . 0 0 "[ . 1]" 2
922 1 4 THR MG 1 84 ASP HA . . 4.380 2.884 2.595 2.997 . 0 0 "[ . 1]" 2
923 1 85 CYS HA 1 87 ILE MD . . 5.180 5.006 4.918 5.195 0.015 9 0 "[ . 1]" 2
924 1 50 LYS HG3 1 73 TYR HA . . 4.400 4.103 3.984 4.404 0.004 5 0 "[ . 1]" 2
925 1 25 LEU MD2 1 47 CYS HA . . 5.440 5.072 4.263 5.449 0.009 3 0 "[ . 1]" 2
926 1 73 TYR HA 1 74 VAL MG1 . . 4.450 3.746 3.585 3.958 . 0 0 "[ . 1]" 2
927 1 50 LYS HA 1 74 VAL MG1 . . 4.540 4.559 4.531 4.601 0.061 6 0 "[ . 1]" 2
928 1 50 LYS HB2 1 73 TYR HA . . 4.480 4.116 3.920 4.469 . 0 0 "[ . 1]" 2
929 1 36 PRO HG3 1 90 HIS HA . . 4.290 2.764 2.500 2.983 . 0 0 "[ . 1]" 2
930 1 23 TYR HA 1 24 ILE HG13 . . 4.380 3.833 3.719 4.037 . 0 0 "[ . 1]" 2
931 1 4 THR HA 1 5 VAL HB . . 5.300 4.611 4.574 4.652 . 0 0 "[ . 1]" 2
932 1 50 LYS HA 1 73 TYR HA . . 3.910 2.346 2.081 2.667 . 0 0 "[ . 1]" 2
933 1 9 THR HB 1 10 PRO HG3 . . 4.840 4.636 4.628 4.643 . 0 0 "[ . 1]" 2
934 1 29 GLU HA 1 33 LEU HB2 . . 4.570 3.910 3.536 4.244 . 0 0 "[ . 1]" 2
935 1 10 PRO HG3 1 90 HIS HB3 . . 5.090 3.915 3.671 4.284 . 0 0 "[ . 1]" 2
936 1 10 PRO HG3 1 90 HIS HB2 . . 5.090 3.900 3.706 4.201 . 0 0 "[ . 1]" 2
937 1 35 LEU HG 1 36 PRO HD2 . . 4.500 2.176 1.993 2.478 . 0 0 "[ . 1]" 2
938 1 35 LEU HG 1 36 PRO HD3 . . 4.390 3.307 3.093 3.614 . 0 0 "[ . 1]" 2
939 1 6 LYS HB2 1 6 LYS HE3 . . 5.190 4.282 3.953 4.630 . 0 0 "[ . 1]" 2
940 1 63 PHE HB3 1 64 LEU HG . . 4.490 2.985 2.831 3.131 . 0 0 "[ . 1]" 2
941 1 75 LEU HB3 1 77 CYS HB3 . . 4.900 4.493 4.328 4.827 . 0 0 "[ . 1]" 2
942 1 6 LYS HB2 1 6 LYS HE2 . . 5.190 3.779 2.711 4.660 . 0 0 "[ . 1]" 2
943 1 63 PHE HB2 1 64 LEU HG . . 5.500 4.719 4.555 4.882 . 0 0 "[ . 1]" 2
944 1 28 ALA MB 1 33 LEU HA . . 5.030 4.507 4.210 4.754 . 0 0 "[ . 1]" 2
945 1 7 LEU HA 1 9 THR MG . . 4.520 4.334 4.299 4.378 . 0 0 "[ . 1]" 2
946 1 86 THR HA 1 87 ILE HB . . 5.500 4.762 4.688 4.853 . 0 0 "[ . 1]" 2
947 1 53 ALA MB 1 86 THR HA . . 5.500 4.975 4.071 5.263 . 0 0 "[ . 1]" 2
948 1 35 LEU HA 1 36 PRO HG3 . . 4.830 4.544 4.539 4.557 . 0 0 "[ . 1]" 2
949 1 73 TYR HB2 1 95 LEU MD1 . . 4.810 4.161 3.531 4.695 . 0 0 "[ . 1]" 2
950 1 94 ASP HB3 1 95 LEU MD1 . . 5.340 5.227 4.829 5.350 0.010 10 0 "[ . 1]" 2
951 1 28 ALA HA 1 33 LEU HB3 . . 4.710 4.204 3.789 4.711 0.001 5 0 "[ . 1]" 2
952 1 68 GLN HG2 1 95 LEU MD2 . . 4.330 2.874 2.417 3.229 . 0 0 "[ . 1]" 2
953 1 58 GLN HB3 1 74 VAL MG1 . . 4.700 4.621 4.487 4.719 0.019 10 0 "[ . 1]" 2
954 1 50 LYS HG2 1 88 GLU HB2 . . 4.980 4.162 3.987 4.476 . 0 0 "[ . 1]" 2
955 1 87 ILE MG 1 88 GLU HB2 . . 5.270 4.269 4.152 4.389 . 0 0 "[ . 1]" 2
956 1 45 SER HB2 1 48 ALA MB . . 4.760 3.606 2.969 4.396 . 0 0 "[ . 1]" 2
957 1 45 SER HB3 1 48 ALA MB . . 4.760 4.200 3.499 4.763 0.003 5 0 "[ . 1]" 2
958 1 48 ALA MB 1 49 GLY HA2 . . 4.850 3.982 3.940 4.012 . 0 0 "[ . 1]" 2
959 1 46 THR MG 1 47 CYS HB3 . . 4.440 3.275 2.838 4.354 . 0 0 "[ . 1]" 2
960 1 25 LEU MD1 1 47 CYS HB3 . . 4.280 3.547 2.721 4.079 . 0 0 "[ . 1]" 2
961 1 22 THR H 1 23 TYR H . . 4.990 4.401 4.379 4.439 . 0 0 "[ . 1]" 2
962 1 3 TYR HB3 1 4 THR H . . 3.600 2.671 1.945 2.871 . 0 0 "[ . 1]" 2
963 1 4 THR H 1 84 ASP HB3 . . 5.260 3.890 3.099 4.993 . 0 0 "[ . 1]" 2
964 1 4 THR H 1 4 THR HB . . 3.260 2.735 2.621 2.967 . 0 0 "[ . 1]" 2
965 1 1 ALA HA 1 2 SER H . . 3.220 2.490 2.185 2.994 . 0 0 "[ . 1]" 2
966 1 1 ALA MB 1 2 SER H . . 3.700 3.445 2.021 3.701 0.001 6 0 "[ . 1]" 2
967 1 3 TYR H 1 3 TYR HB2 . . 3.680 2.478 2.306 2.568 . 0 0 "[ . 1]" 2
968 1 2 SER HA 1 3 TYR H . . 3.070 2.256 2.159 2.494 . 0 0 "[ . 1]" 2
969 1 3 TYR H 1 3 TYR QD . . 4.170 3.179 2.240 3.417 . 0 0 "[ . 1]" 2
970 1 2 SER H 1 3 TYR H . . 4.790 4.307 2.911 4.631 . 0 0 "[ . 1]" 2
971 1 4 THR H 1 84 ASP H . . 5.500 4.698 4.222 4.863 . 0 0 "[ . 1]" 2
972 1 3 TYR H 1 4 THR H . . 5.410 4.472 4.429 4.499 . 0 0 "[ . 1]" 2
973 1 3 TYR HA 1 4 THR H . . 3.130 2.326 2.250 2.636 . 0 0 "[ . 1]" 2
974 1 3 TYR QD 1 4 THR H . . 4.380 3.284 3.201 3.385 . 0 0 "[ . 1]" 2
975 1 4 THR H 1 84 ASP HB2 . . 5.260 3.842 2.725 4.668 . 0 0 "[ . 1]" 2
976 1 3 TYR HB2 1 4 THR H . . 4.070 3.947 3.350 4.086 0.016 4 0 "[ . 1]" 2
977 1 4 THR H 1 4 THR MG . . 4.160 1.951 1.883 2.056 . 0 0 "[ . 1]" 2
978 1 5 VAL H 1 6 LYS H . . 4.460 4.145 4.045 4.236 . 0 0 "[ . 1]" 2
979 1 4 THR H 1 5 VAL H . . 4.690 4.479 4.392 4.538 . 0 0 "[ . 1]" 2
980 1 5 VAL H 1 16 ILE H . . 4.010 3.645 3.062 4.017 0.007 5 0 "[ . 1]" 2
981 1 5 VAL H 1 15 SER HA . . 5.170 4.450 4.069 4.789 . 0 0 "[ . 1]" 2
982 1 5 VAL H 1 17 GLU HA . . 4.080 2.981 2.773 3.138 . 0 0 "[ . 1]" 2
983 1 4 THR HA 1 5 VAL H . . 2.890 2.148 2.142 2.157 . 0 0 "[ . 1]" 2
984 1 5 VAL H 1 5 VAL HB . . 3.470 2.585 2.529 2.622 . 0 0 "[ . 1]" 2
985 1 5 VAL H 1 5 VAL MG2 . . 3.860 2.740 2.609 2.845 . 0 0 "[ . 1]" 2
986 1 5 VAL H 1 5 VAL MG1 . . 3.860 3.828 3.805 3.843 . 0 0 "[ . 1]" 2
987 1 7 LEU H 1 15 SER H . . 4.950 4.763 4.653 4.919 . 0 0 "[ . 1]" 2
988 1 7 LEU H 1 15 SER HA . . 3.660 2.935 2.845 3.110 . 0 0 "[ . 1]" 2
989 1 6 LYS HA 1 7 LEU H . . 3.040 2.146 2.140 2.161 . 0 0 "[ . 1]" 2
990 1 7 LEU H 1 7 LEU HB3 . . 3.750 3.596 3.514 3.640 . 0 0 "[ . 1]" 2
991 1 7 LEU H 1 7 LEU HG . . 3.610 3.183 2.929 3.557 . 0 0 "[ . 1]" 2
992 1 7 LEU H 1 7 LEU HB2 . . 3.630 2.356 2.279 2.410 . 0 0 "[ . 1]" 2
993 1 6 LYS H 1 7 LEU H . . 4.560 4.409 4.294 4.465 . 0 0 "[ . 1]" 2
994 1 6 LYS H 1 85 CYS H . . 4.510 3.408 3.279 3.612 . 0 0 "[ . 1]" 2
995 1 8 ILE H 1 89 THR H . . 3.990 3.434 3.371 3.529 . 0 0 "[ . 1]" 2
996 1 7 LEU HA 1 8 ILE H . . 2.880 2.223 2.201 2.259 . 0 0 "[ . 1]" 2
997 1 8 ILE H 1 88 GLU HA . . 3.530 2.888 2.674 3.036 . 0 0 "[ . 1]" 2
998 1 8 ILE H 1 8 ILE HB . . 3.330 2.662 2.652 2.666 . 0 0 "[ . 1]" 2
999 1 7 LEU HG 1 8 ILE H . . 5.500 5.033 4.550 5.198 . 0 0 "[ . 1]" 2
1000 1 8 ILE H 1 87 ILE HB . . 5.500 4.583 4.452 4.711 . 0 0 "[ . 1]" 2
1001 1 8 ILE H 1 8 ILE HG13 . . 3.780 3.514 3.509 3.528 . 0 0 "[ . 1]" 2
1002 1 8 ILE H 1 8 ILE HG12 . . 3.390 1.947 1.939 1.976 . 0 0 "[ . 1]" 2
1003 1 8 ILE H 1 8 ILE MG . . 4.030 3.764 3.760 3.773 . 0 0 "[ . 1]" 2
1004 1 8 ILE H 1 8 ILE MD . . 3.900 2.891 2.834 3.028 . 0 0 "[ . 1]" 2
1005 1 7 LEU HB3 1 8 ILE H . . 4.020 3.944 3.879 4.009 . 0 0 "[ . 1]" 2
1006 1 50 LYS H 1 88 GLU HB2 . . 3.910 2.972 2.795 3.291 . 0 0 "[ . 1]" 2
1007 1 50 LYS H 1 50 LYS HB2 . . 3.910 2.425 2.120 2.564 . 0 0 "[ . 1]" 2
1008 1 9 THR HA 1 11 ASP H . . 4.160 3.875 3.872 3.877 . 0 0 "[ . 1]" 2
1009 1 9 THR HB 1 11 ASP H . . 3.930 2.814 2.788 2.842 . 0 0 "[ . 1]" 2
1010 1 10 PRO HD3 1 11 ASP H . . 4.570 3.946 3.945 3.947 . 0 0 "[ . 1]" 2
1011 1 10 PRO HD2 1 11 ASP H . . 4.570 2.842 2.840 2.846 . 0 0 "[ . 1]" 2
1012 1 11 ASP H 1 11 ASP HB3 . . 3.860 3.332 2.897 3.735 . 0 0 "[ . 1]" 2
1013 1 11 ASP H 1 11 ASP HB2 . . 3.860 2.516 2.350 2.653 . 0 0 "[ . 1]" 2
1014 1 9 THR MG 1 11 ASP H . . 4.340 4.130 4.126 4.132 . 0 0 "[ . 1]" 2
1015 1 10 PRO HG3 1 11 ASP H . . 5.120 4.389 4.386 4.393 . 0 0 "[ . 1]" 2
1016 1 9 THR H 1 11 ASP H . . 5.340 4.556 4.551 4.559 . 0 0 "[ . 1]" 2
1017 1 9 THR MG 1 12 GLY H . . 5.500 4.819 4.797 4.840 . 0 0 "[ . 1]" 2
1018 1 12 GLY H 1 13 GLU H . . 4.440 4.455 4.443 4.466 0.026 9 0 "[ . 1]" 2
1019 1 13 GLU H 1 13 GLU HG3 . . 3.990 3.344 3.253 3.561 . 0 0 "[ . 1]" 2
1020 1 13 GLU H 1 13 GLU HB2 . . 3.100 2.533 2.514 2.561 . 0 0 "[ . 1]" 2
1021 1 13 GLU H 1 14 SER H . . 4.890 4.214 3.955 4.341 . 0 0 "[ . 1]" 2
1022 1 14 SER H 1 15 SER H . . 4.600 4.507 4.441 4.583 . 0 0 "[ . 1]" 2
1023 1 9 THR H 1 14 SER H . . 4.650 4.285 4.153 4.430 . 0 0 "[ . 1]" 2
1024 1 13 GLU HA 1 14 SER H . . 2.840 2.152 2.138 2.193 . 0 0 "[ . 1]" 2
1025 1 8 ILE HA 1 14 SER H . . 4.550 3.890 3.735 4.131 . 0 0 "[ . 1]" 2
1026 1 24 ILE H 1 77 CYS HA . . 5.190 5.170 4.951 5.204 0.014 1 0 "[ . 1]" 2
1027 1 14 SER H 1 14 SER HB2 . . 3.930 2.613 2.349 2.998 . 0 0 "[ . 1]" 2
1028 1 9 THR MG 1 14 SER H . . 4.420 3.432 3.069 3.740 . 0 0 "[ . 1]" 2
1029 1 7 LEU HB2 1 14 SER H . . 4.470 4.018 3.929 4.106 . 0 0 "[ . 1]" 2
1030 1 19 SER H 1 20 ASP H . . 4.870 4.573 4.535 4.617 . 0 0 "[ . 1]" 2
1031 1 30 GLU H 1 31 ALA H . . 3.270 2.618 2.487 2.793 . 0 0 "[ . 1]" 2
1032 1 29 GLU H 1 30 GLU H . . 3.330 2.733 2.670 2.829 . 0 0 "[ . 1]" 2
1033 1 31 ALA H 1 32 GLY H . . 3.340 2.299 2.116 2.419 . 0 0 "[ . 1]" 2
1034 1 19 SER HA 1 20 ASP H . . 3.140 2.340 2.274 2.432 . 0 0 "[ . 1]" 2
1035 1 27 ALA HA 1 31 ALA H . . 4.590 4.439 4.132 4.596 0.006 5 0 "[ . 1]" 2
1036 1 29 GLU HA 1 31 ALA H . . 4.840 4.062 3.754 4.385 . 0 0 "[ . 1]" 2
1037 1 28 ALA HA 1 31 ALA H . . 4.020 3.582 3.410 3.720 . 0 0 "[ . 1]" 2
1038 1 25 LEU HA 1 29 GLU H . . 4.700 3.704 3.567 3.811 . 0 0 "[ . 1]" 2
1039 1 71 ALA H 1 72 GLY HA2 . . 5.210 5.074 4.973 5.121 . 0 0 "[ . 1]" 2
1040 1 92 GLU HA 1 94 ASP H . . 4.920 3.734 3.624 3.835 . 0 0 "[ . 1]" 2
1041 1 20 ASP H 1 20 ASP HB3 . . 3.890 2.702 2.294 3.585 . 0 0 "[ . 1]" 2
1042 1 20 ASP H 1 20 ASP HB2 . . 3.890 2.998 2.410 3.597 . 0 0 "[ . 1]" 2
1043 1 29 GLU H 1 29 GLU HG3 . . 3.320 2.269 2.081 2.469 . 0 0 "[ . 1]" 2
1044 1 30 GLU HB3 1 31 ALA H . . 3.330 2.856 2.591 3.084 . 0 0 "[ . 1]" 2
1045 1 29 GLU H 1 29 GLU HG2 . . 3.620 2.987 2.350 3.327 . 0 0 "[ . 1]" 2
1046 1 31 ALA H 1 31 ALA MB . . 2.880 2.215 2.105 2.371 . 0 0 "[ . 1]" 2
1047 1 1 ALA MB 1 20 ASP H . . 5.210 3.925 2.206 4.686 . 0 0 "[ . 1]" 2
1048 1 15 SER H 1 16 ILE H . . 4.430 3.855 3.617 4.223 . 0 0 "[ . 1]" 2
1049 1 68 GLN H 1 71 ALA H . . 5.320 4.942 4.615 5.102 . 0 0 "[ . 1]" 2
1050 1 93 GLU H 1 94 ASP H . . 3.500 2.333 1.926 2.716 . 0 0 "[ . 1]" 2
1051 1 29 GLU H 1 31 ALA H . . 4.720 4.185 4.008 4.389 . 0 0 "[ . 1]" 2
1052 1 92 GLU H 1 94 ASP H . . 4.920 4.009 3.366 4.522 . 0 0 "[ . 1]" 2
1053 1 70 GLU H 1 71 ALA H . . 3.310 2.761 2.662 2.886 . 0 0 "[ . 1]" 2
1054 1 71 ALA H 1 73 TYR H . . 4.210 4.139 4.023 4.200 . 0 0 "[ . 1]" 2
1055 1 94 ASP H 1 95 LEU H . . 3.270 2.657 2.521 2.813 . 0 0 "[ . 1]" 2
1056 1 14 SER HA 1 15 SER H . . 2.810 2.427 2.345 2.558 . 0 0 "[ . 1]" 2
1057 1 91 LYS HA 1 94 ASP H . . 4.510 4.191 3.647 4.530 0.020 6 0 "[ . 1]" 2
1058 1 94 ASP H 1 94 ASP HB3 . . 3.700 3.461 3.365 3.526 . 0 0 "[ . 1]" 2
1059 1 94 ASP H 1 94 ASP HB2 . . 3.700 2.160 2.093 2.238 . 0 0 "[ . 1]" 2
1060 1 70 GLU HG2 1 71 ALA H . . 5.440 4.621 3.743 5.045 . 0 0 "[ . 1]" 2
1061 1 93 GLU HB2 1 94 ASP H . . 5.150 3.580 3.036 4.088 . 0 0 "[ . 1]" 2
1062 1 93 GLU HB3 1 94 ASP H . . 5.150 3.711 3.114 4.144 . 0 0 "[ . 1]" 2
1063 1 69 ILE HB 1 71 ALA H . . 5.500 5.377 5.176 5.503 0.003 9 0 "[ . 1]" 2
1064 1 94 ASP H 1 95 LEU HG . . 5.500 3.998 3.747 4.263 . 0 0 "[ . 1]" 2
1065 1 15 SER H 1 16 ILE MG . . 4.260 3.595 3.415 3.743 . 0 0 "[ . 1]" 2
1066 1 16 ILE MG 1 31 ALA H . . 4.860 4.249 3.921 4.645 . 0 0 "[ . 1]" 2
1067 1 6 LYS H 1 16 ILE H . . 5.500 5.265 5.085 5.446 . 0 0 "[ . 1]" 2
1068 1 15 SER HA 1 16 ILE H . . 2.900 2.183 2.139 2.259 . 0 0 "[ . 1]" 2
1069 1 15 SER HB2 1 16 ILE H . . 4.790 3.993 3.265 4.646 . 0 0 "[ . 1]" 2
1070 1 16 ILE H 1 16 ILE HB . . 4.000 3.716 3.642 3.822 . 0 0 "[ . 1]" 2
1071 1 7 LEU HG 1 16 ILE H . . 5.230 4.109 3.655 4.981 . 0 0 "[ . 1]" 2
1072 1 16 ILE H 1 16 ILE HG12 . . 3.560 2.265 2.082 2.499 . 0 0 "[ . 1]" 2
1073 1 16 ILE H 1 16 ILE MG . . 3.490 2.710 2.421 3.094 . 0 0 "[ . 1]" 2
1074 1 90 HIS HA 1 92 GLU H . . 4.050 3.875 3.391 4.054 0.004 10 0 "[ . 1]" 2
1075 1 16 ILE HA 1 17 GLU H . . 2.880 2.380 2.240 2.625 . 0 0 "[ . 1]" 2
1076 1 16 ILE MG 1 17 GLU H . . 4.060 3.634 3.467 3.853 . 0 0 "[ . 1]" 2
1077 1 5 VAL H 1 18 CYS H . . 4.350 3.901 3.625 4.294 . 0 0 "[ . 1]" 2
1078 1 18 CYS H 1 19 SER H . . 4.690 4.464 4.245 4.533 . 0 0 "[ . 1]" 2
1079 1 17 GLU HA 1 18 CYS H . . 2.850 2.147 2.139 2.190 . 0 0 "[ . 1]" 2
1080 1 18 CYS H 1 18 CYS HB3 . . 3.850 2.875 2.572 3.751 . 0 0 "[ . 1]" 2
1081 1 18 CYS H 1 18 CYS HB2 . . 3.850 2.956 2.664 3.345 . 0 0 "[ . 1]" 2
1082 1 18 CYS HA 1 19 SER H . . 2.850 2.258 2.156 2.344 . 0 0 "[ . 1]" 2
1083 1 19 SER H 1 22 THR HB . . 3.720 2.554 1.994 2.790 . 0 0 "[ . 1]" 2
1084 1 18 CYS HB3 1 19 SER H . . 5.050 3.658 2.607 4.241 . 0 0 "[ . 1]" 2
1085 1 18 CYS HB2 1 19 SER H . . 5.050 3.964 3.605 4.144 . 0 0 "[ . 1]" 2
1086 1 19 SER H 1 27 ALA MB . . 4.610 3.937 3.736 4.157 . 0 0 "[ . 1]" 2
1087 1 19 SER H 1 22 THR MG . . 4.770 3.718 3.236 3.976 . 0 0 "[ . 1]" 2
1088 1 19 SER HA 1 21 ASP H . . 5.400 4.105 3.979 4.377 . 0 0 "[ . 1]" 2
1089 1 21 ASP H 1 21 ASP HB3 . . 4.180 3.132 2.701 3.724 . 0 0 "[ . 1]" 2
1090 1 21 ASP H 1 21 ASP HB2 . . 4.180 2.637 2.367 3.635 . 0 0 "[ . 1]" 2
1091 1 20 ASP H 1 21 ASP H . . 4.140 2.662 2.518 2.765 . 0 0 "[ . 1]" 2
1092 1 55 SER HB3 1 56 VAL H . . 3.920 3.635 2.709 3.955 0.035 9 0 "[ . 1]" 2
1093 1 55 SER HB2 1 56 VAL H . . 3.920 3.323 2.728 3.962 0.042 3 0 "[ . 1]" 2
1094 1 55 SER HA 1 56 VAL H . . 2.900 2.279 2.149 2.358 . 0 0 "[ . 1]" 2
1095 1 3 TYR QE 1 83 SER H . . 5.500 5.513 5.499 5.526 0.026 6 0 "[ . 1]" 2
1096 1 3 TYR QD 1 83 SER H . . 4.900 4.605 4.443 4.846 . 0 0 "[ . 1]" 2
1097 1 82 THR H 1 83 SER H . . 2.920 2.704 2.662 2.755 . 0 0 "[ . 1]" 2
1098 1 81 PRO HA 1 83 SER H . . 4.900 3.233 3.153 3.270 . 0 0 "[ . 1]" 2
1099 1 81 PRO HB2 1 83 SER H . . 4.310 3.587 3.528 3.750 . 0 0 "[ . 1]" 2
1100 1 24 ILE H 1 79 ALA H . . 4.030 3.361 3.130 3.567 . 0 0 "[ . 1]" 2
1101 1 23 TYR HA 1 24 ILE H . . 3.210 2.186 2.160 2.228 . 0 0 "[ . 1]" 2
1102 1 14 SER H 1 14 SER HB3 . . 3.930 3.564 3.306 3.762 . 0 0 "[ . 1]" 2
1103 1 23 TYR HB2 1 24 ILE H . . 4.700 3.920 3.757 4.027 . 0 0 "[ . 1]" 2
1104 1 24 ILE H 1 24 ILE HG13 . . 3.150 2.181 2.052 2.353 . 0 0 "[ . 1]" 2
1105 1 24 ILE H 1 24 ILE HB . . 3.150 2.578 2.539 2.609 . 0 0 "[ . 1]" 2
1106 1 24 ILE H 1 24 ILE HG12 . . 3.710 3.653 3.470 3.725 0.015 10 0 "[ . 1]" 2
1107 1 24 ILE H 1 79 ALA MB . . 4.240 3.390 3.176 3.589 . 0 0 "[ . 1]" 2
1108 1 24 ILE H 1 24 ILE MD . . 3.620 2.818 2.177 3.360 . 0 0 "[ . 1]" 2
1109 1 25 LEU H 1 25 LEU HB3 . . 3.270 2.549 2.404 2.759 . 0 0 "[ . 1]" 2
1110 1 25 LEU H 1 25 LEU HG . . 4.560 4.488 4.420 4.542 . 0 0 "[ . 1]" 2
1111 1 24 ILE HG12 1 25 LEU H . . 5.390 5.185 5.100 5.262 . 0 0 "[ . 1]" 2
1112 1 25 LEU H 1 25 LEU HB2 . . 3.210 2.472 2.279 2.612 . 0 0 "[ . 1]" 2
1113 1 24 ILE MG 1 25 LEU H . . 3.660 3.528 3.381 3.630 . 0 0 "[ . 1]" 2
1114 1 23 TYR HB3 1 25 LEU H . . 4.370 3.071 2.912 3.295 . 0 0 "[ . 1]" 2
1115 1 25 LEU H 1 26 ASP H . . 3.700 2.763 2.586 2.949 . 0 0 "[ . 1]" 2
1116 1 23 TYR QD 1 25 LEU H . . 5.500 4.986 4.841 5.155 . 0 0 "[ . 1]" 2
1117 1 24 ILE HA 1 26 ASP H . . 4.840 4.612 4.376 4.807 . 0 0 "[ . 1]" 2
1118 1 26 ASP H 1 26 ASP HB2 . . 3.550 2.165 2.072 2.332 . 0 0 "[ . 1]" 2
1119 1 25 LEU HB3 1 26 ASP H . . 3.590 2.385 2.207 2.588 . 0 0 "[ . 1]" 2
1120 1 25 LEU HB2 1 26 ASP H . . 4.160 3.736 3.543 3.921 . 0 0 "[ . 1]" 2
1121 1 24 ILE HA 1 27 ALA H . . 4.130 3.613 3.380 3.854 . 0 0 "[ . 1]" 2
1122 1 26 ASP HB3 1 27 ALA H . . 3.790 2.708 2.129 3.378 . 0 0 "[ . 1]" 2
1123 1 26 ASP HB2 1 27 ALA H . . 3.790 3.312 2.927 3.598 . 0 0 "[ . 1]" 2
1124 1 27 ALA H 1 27 ALA MB . . 2.930 2.152 2.045 2.279 . 0 0 "[ . 1]" 2
1125 1 16 ILE MD 1 27 ALA H . . 4.490 3.960 3.513 4.302 . 0 0 "[ . 1]" 2
1126 1 27 ALA H 1 28 ALA H . . 3.180 2.540 2.360 2.685 . 0 0 "[ . 1]" 2
1127 1 68 GLN H 1 68 GLN HE22 . . 5.140 3.984 3.573 4.434 . 0 0 "[ . 1]" 2
1128 1 25 LEU H 1 28 ALA H . . 5.350 4.653 4.576 4.849 . 0 0 "[ . 1]" 2
1129 1 68 GLN H 1 73 TYR QD . . 5.500 5.196 4.730 5.513 0.013 10 0 "[ . 1]" 2
1130 1 68 GLN H 1 70 GLU H . . 4.180 3.870 3.681 3.961 . 0 0 "[ . 1]" 2
1131 1 28 ALA H 1 29 GLU H . . 3.290 2.696 2.440 2.987 . 0 0 "[ . 1]" 2
1132 1 25 LEU HA 1 28 ALA H . . 3.820 3.379 3.084 3.506 . 0 0 "[ . 1]" 2
1133 1 64 LEU HB3 1 65 ASP H . . 3.690 2.356 1.981 2.653 . 0 0 "[ . 1]" 2
1134 1 64 LEU HA 1 65 ASP H . . 2.850 2.488 2.334 2.718 . 0 0 "[ . 1]" 2
1135 1 64 LEU HB2 1 65 ASP H . . 4.440 3.226 2.803 3.513 . 0 0 "[ . 1]" 2
1136 1 64 LEU MD2 1 65 ASP H . . 4.540 3.704 3.587 3.855 . 0 0 "[ . 1]" 2
1137 1 65 ASP H 1 69 ILE MD . . 4.180 3.435 2.776 4.145 . 0 0 "[ . 1]" 2
1138 1 30 GLU H 1 32 GLY H . . 4.620 3.982 3.830 4.205 . 0 0 "[ . 1]" 2
1139 1 28 ALA H 1 30 GLU H . . 4.690 3.662 3.395 3.799 . 0 0 "[ . 1]" 2
1140 1 27 ALA HA 1 30 GLU H . . 4.130 3.922 3.729 4.135 0.005 9 0 "[ . 1]" 2
1141 1 28 ALA HA 1 30 GLU H . . 4.980 4.335 4.121 4.567 . 0 0 "[ . 1]" 2
1142 1 30 GLU H 1 31 ALA HA . . 5.500 5.251 5.149 5.392 . 0 0 "[ . 1]" 2
1143 1 30 GLU H 1 30 GLU HB2 . . 2.990 2.528 2.390 2.660 . 0 0 "[ . 1]" 2
1144 1 30 GLU H 1 30 GLU HB3 . . 3.220 2.532 2.406 2.667 . 0 0 "[ . 1]" 2
1145 1 29 GLU HG2 1 30 GLU H . . 3.820 3.692 3.507 3.820 . 0 0 "[ . 1]" 2
1146 1 30 GLU H 1 31 ALA MB . . 4.660 4.306 4.208 4.463 . 0 0 "[ . 1]" 2
1147 1 28 ALA MB 1 30 GLU H . . 4.830 4.198 4.007 4.322 . 0 0 "[ . 1]" 2
1148 1 30 GLU HA 1 32 GLY H . . 4.940 4.441 4.178 4.800 . 0 0 "[ . 1]" 2
1149 1 28 ALA HA 1 32 GLY H . . 5.100 4.249 4.071 4.623 . 0 0 "[ . 1]" 2
1150 1 30 GLU HB3 1 32 GLY H . . 5.500 5.009 4.781 5.266 . 0 0 "[ . 1]" 2
1151 1 31 ALA MB 1 32 GLY H . . 3.680 2.806 2.599 2.990 . 0 0 "[ . 1]" 2
1152 1 32 GLY H 1 33 LEU H . . 3.170 2.035 1.891 2.363 . 0 0 "[ . 1]" 2
1153 1 31 ALA H 1 33 LEU H . . 4.420 3.737 3.560 4.030 . 0 0 "[ . 1]" 2
1154 1 33 LEU H 1 34 ASP H . . 4.630 3.247 2.299 4.366 . 0 0 "[ . 1]" 2
1155 1 29 GLU HA 1 33 LEU H . . 3.730 3.297 2.656 3.666 . 0 0 "[ . 1]" 2
1156 1 28 ALA HA 1 33 LEU H . . 4.760 3.765 3.534 4.319 . 0 0 "[ . 1]" 2
1157 1 33 LEU H 1 33 LEU HB2 . . 3.470 2.214 2.065 2.526 . 0 0 "[ . 1]" 2
1158 1 33 LEU H 1 33 LEU HB3 . . 3.700 3.445 3.200 3.593 . 0 0 "[ . 1]" 2
1159 1 33 LEU H 1 33 LEU MD1 . . 4.310 4.023 3.726 4.217 . 0 0 "[ . 1]" 2
1160 1 65 ASP H 1 68 GLN HG2 . . 4.930 3.979 3.649 4.269 . 0 0 "[ . 1]" 2
1161 1 35 LEU H 1 36 PRO HD3 . . 5.230 5.074 5.042 5.099 . 0 0 "[ . 1]" 2
1162 1 53 ALA H 1 53 ALA MB . . 3.430 2.422 2.233 2.777 . 0 0 "[ . 1]" 2
1163 1 52 THR MG 1 53 ALA H . . 4.140 2.322 1.899 3.617 . 0 0 "[ . 1]" 2
1164 1 51 ILE MG 1 53 ALA H . . 4.310 3.878 3.211 4.086 . 0 0 "[ . 1]" 2
1165 1 51 ILE MD 1 53 ALA H . . 3.640 2.211 1.837 2.335 . 0 0 "[ . 1]" 2
1166 1 35 LEU H 1 36 PRO HD2 . . 5.000 4.733 4.709 4.765 . 0 0 "[ . 1]" 2
1167 1 34 ASP HB3 1 35 LEU H . . 4.710 4.363 4.147 4.476 . 0 0 "[ . 1]" 2
1168 1 34 ASP HB2 1 35 LEU H . . 4.710 4.459 4.321 4.657 . 0 0 "[ . 1]" 2
1169 1 35 LEU H 1 35 LEU HB3 . . 3.850 3.436 3.369 3.525 . 0 0 "[ . 1]" 2
1170 1 35 LEU H 1 35 LEU HB2 . . 3.850 2.189 2.102 2.323 . 0 0 "[ . 1]" 2
1171 1 35 LEU H 1 35 LEU MD2 . . 4.280 3.766 3.355 4.184 . 0 0 "[ . 1]" 2
1172 1 35 LEU H 1 35 LEU MD1 . . 4.280 2.430 1.958 3.037 . 0 0 "[ . 1]" 2
1173 1 53 ALA H 1 85 CYS HA . . 5.260 5.093 4.565 5.281 0.021 5 0 "[ . 1]" 2
1174 1 51 ILE HA 1 53 ALA H . . 3.960 3.936 3.869 3.993 0.033 6 0 "[ . 1]" 2
1175 1 52 THR HB 1 53 ALA H . . 4.980 4.160 4.019 4.630 . 0 0 "[ . 1]" 2
1176 1 53 ALA H 1 86 THR HB . . 4.300 3.734 3.514 4.070 . 0 0 "[ . 1]" 2
1177 1 35 LEU H 1 37 TYR QD . . 5.110 3.576 2.721 4.261 . 0 0 "[ . 1]" 2
1178 1 34 ASP HA 1 35 LEU H . . 2.850 2.535 2.281 2.660 . 0 0 "[ . 1]" 2
1179 1 52 THR H 1 53 ALA H . . 2.940 1.933 1.840 2.119 . 0 0 "[ . 1]" 2
1180 1 53 ALA H 1 86 THR H . . 3.820 3.729 3.423 3.833 0.013 7 0 "[ . 1]" 2
1181 1 37 TYR H 1 38 SER H . . 4.750 4.495 4.315 4.647 . 0 0 "[ . 1]" 2
1182 1 37 TYR H 1 37 TYR QD . . 3.750 2.662 2.262 3.223 . 0 0 "[ . 1]" 2
1183 1 36 PRO HA 1 37 TYR H . . 3.390 2.542 2.154 3.340 . 0 0 "[ . 1]" 2
1184 1 36 PRO HB3 1 37 TYR H . . 4.590 4.456 4.004 4.567 . 0 0 "[ . 1]" 2
1185 1 36 PRO HB2 1 37 TYR H . . 4.590 4.086 3.539 4.272 . 0 0 "[ . 1]" 2
1186 1 37 TYR H 1 46 THR MG . . 4.500 3.857 3.351 4.289 . 0 0 "[ . 1]" 2
1187 1 37 TYR HA 1 38 SER H . . 3.080 2.324 2.274 2.347 . 0 0 "[ . 1]" 2
1188 1 37 TYR HB2 1 38 SER H . . 3.420 2.703 2.649 2.811 . 0 0 "[ . 1]" 2
1189 1 38 SER H 1 38 SER HB3 . . 4.080 2.901 2.583 3.398 . 0 0 "[ . 1]" 2
1190 1 38 SER H 1 47 CYS H . . 5.040 5.031 4.932 5.058 0.018 7 0 "[ . 1]" 2
1191 1 37 TYR QD 1 38 SER H . . 3.890 3.074 2.924 3.265 . 0 0 "[ . 1]" 2
1192 1 38 SER H 1 40 ARG H . . 3.910 2.759 2.675 2.789 . 0 0 "[ . 1]" 2
1193 1 39 CYS H 1 40 ARG H . . 3.750 2.303 2.247 2.486 . 0 0 "[ . 1]" 2
1194 1 38 SER H 1 39 CYS H . . 3.650 1.983 1.882 2.379 . 0 0 "[ . 1]" 2
1195 1 39 CYS H 1 39 CYS HB3 . . 3.880 2.608 2.488 2.663 . 0 0 "[ . 1]" 2
1196 1 39 CYS H 1 39 CYS HB2 . . 3.880 3.645 3.602 3.662 . 0 0 "[ . 1]" 2
1197 1 37 TYR HB2 1 39 CYS H . . 5.380 4.208 4.081 4.719 . 0 0 "[ . 1]" 2
1198 1 39 CYS H 1 46 THR MG . . 5.080 3.511 3.167 3.641 . 0 0 "[ . 1]" 2
1199 1 39 CYS H 1 41 ALA MB . . 5.500 5.477 5.386 5.527 0.027 9 0 "[ . 1]" 2
1200 1 40 ARG HB3 1 40 ARG HE . . 4.730 4.522 3.863 4.727 . 0 0 "[ . 1]" 2
1201 1 40 ARG H 1 40 ARG HA . . 2.890 2.302 2.301 2.305 . 0 0 "[ . 1]" 2
1202 1 40 ARG H 1 40 ARG HB3 . . 4.160 2.920 2.911 2.946 . 0 0 "[ . 1]" 2
1203 1 39 CYS H 1 41 ALA H . . 5.500 4.614 4.564 4.707 . 0 0 "[ . 1]" 2
1204 1 41 ALA H 1 42 GLY HA2 . . 5.160 3.905 3.884 3.959 . 0 0 "[ . 1]" 2
1205 1 39 CYS HB3 1 41 ALA H . . 5.260 4.514 4.471 4.707 . 0 0 "[ . 1]" 2
1206 1 39 CYS HB2 1 41 ALA H . . 5.260 3.485 3.400 3.891 . 0 0 "[ . 1]" 2
1207 1 40 ARG HB3 1 41 ALA H . . 5.500 4.630 4.623 4.651 . 0 0 "[ . 1]" 2
1208 1 41 ALA H 1 77 CYS HB2 . . 5.500 2.581 2.356 2.724 . 0 0 "[ . 1]" 2
1209 1 40 ARG HB2 1 41 ALA H . . 4.690 4.462 4.410 4.473 . 0 0 "[ . 1]" 2
1210 1 41 ALA H 1 41 ALA MB . . 3.120 2.619 2.555 2.648 . 0 0 "[ . 1]" 2
1211 1 40 ARG H 1 41 ALA H . . 3.560 2.990 2.969 3.079 . 0 0 "[ . 1]" 2
1212 1 40 ARG HA 1 42 GLY H . . 4.470 4.477 4.396 4.517 0.047 2 0 "[ . 1]" 2
1213 1 41 ALA MB 1 42 GLY H . . 3.660 2.730 2.673 2.760 . 0 0 "[ . 1]" 2
1214 1 42 GLY H 1 78 VAL MG2 . . 4.490 4.427 4.081 4.537 0.047 8 0 "[ . 1]" 2
1215 1 40 ARG H 1 42 GLY H . . 4.970 4.364 4.308 4.551 . 0 0 "[ . 1]" 2
1216 1 41 ALA H 1 42 GLY H . . 3.060 1.845 1.815 1.910 . 0 0 "[ . 1]" 2
1217 1 43 ALA H 1 43 ALA MB . . 2.950 2.882 2.858 2.916 . 0 0 "[ . 1]" 2
1218 1 41 ALA H 1 43 ALA H . . 4.010 4.069 4.038 4.107 0.097 4 0 "[ . 1]" 2
1219 1 42 GLY H 1 43 ALA H . . 3.080 2.592 2.498 2.658 . 0 0 "[ . 1]" 2
1220 1 43 ALA H 1 78 VAL MG1 . . 5.500 4.375 4.293 4.548 . 0 0 "[ . 1]" 2
1221 1 46 THR HB 1 48 ALA H . . 5.500 5.515 5.378 5.575 0.075 3 0 "[ . 1]" 2
1222 1 44 CYS H 1 75 LEU HB3 . . 5.500 5.017 4.819 5.104 . 0 0 "[ . 1]" 2
1223 1 44 CYS H 1 75 LEU HG . . 5.500 5.422 5.255 5.523 0.023 10 0 "[ . 1]" 2
1224 1 43 ALA MB 1 44 CYS H . . 3.840 3.680 3.667 3.700 . 0 0 "[ . 1]" 2
1225 1 44 CYS H 1 75 LEU MD1 . . 5.070 2.703 2.397 2.880 . 0 0 "[ . 1]" 2
1226 1 44 CYS H 1 45 SER HA . . 4.670 4.650 4.618 4.676 0.006 9 0 "[ . 1]" 2
1227 1 44 CYS H 1 63 PHE HB2 . . 4.350 3.262 3.086 3.558 . 0 0 "[ . 1]" 2
1228 1 44 CYS H 1 45 SER H . . 4.830 4.359 4.314 4.378 . 0 0 "[ . 1]" 2
1229 1 43 ALA H 1 44 CYS H . . 3.250 2.042 1.966 2.172 . 0 0 "[ . 1]" 2
1230 1 44 CYS HA 1 45 SER H . . 3.510 2.624 2.573 2.743 . 0 0 "[ . 1]" 2
1231 1 45 SER H 1 46 THR MG . . 5.360 3.743 3.194 4.072 . 0 0 "[ . 1]" 2
1232 1 58 GLN H 1 59 SER HA . . 5.500 4.567 4.515 4.630 . 0 0 "[ . 1]" 2
1233 1 58 GLN H 1 58 GLN HG3 . . 4.560 2.237 2.087 2.476 . 0 0 "[ . 1]" 2
1234 1 58 GLN H 1 58 GLN HG2 . . 3.480 2.599 2.451 2.811 . 0 0 "[ . 1]" 2
1235 1 57 ASP H 1 58 GLN H . . 4.590 4.143 4.025 4.352 . 0 0 "[ . 1]" 2
1236 1 37 TYR HA 1 47 CYS H . . 4.380 4.077 3.937 4.341 . 0 0 "[ . 1]" 2
1237 1 47 CYS H 1 47 CYS HB3 . . 4.060 3.100 2.760 3.652 . 0 0 "[ . 1]" 2
1238 1 47 CYS H 1 47 CYS HB2 . . 4.060 3.344 2.525 3.683 . 0 0 "[ . 1]" 2
1239 1 47 CYS H 1 48 ALA MB . . 4.390 3.844 3.762 3.970 . 0 0 "[ . 1]" 2
1240 1 46 THR MG 1 47 CYS H . . 3.920 2.156 2.090 2.229 . 0 0 "[ . 1]" 2
1241 1 48 ALA H 1 75 LEU HG . . 5.500 5.487 5.225 5.560 0.060 2 0 "[ . 1]" 2
1242 1 48 ALA H 1 75 LEU MD2 . . 5.500 2.761 2.520 2.842 . 0 0 "[ . 1]" 2
1243 1 48 ALA H 1 75 LEU MD1 . . 5.500 5.170 4.893 5.333 . 0 0 "[ . 1]" 2
1244 1 49 GLY H 1 74 VAL HB . . 5.130 4.804 4.523 4.952 . 0 0 "[ . 1]" 2
1245 1 48 ALA MB 1 49 GLY H . . 3.350 2.850 2.789 2.949 . 0 0 "[ . 1]" 2
1246 1 49 GLY H 1 74 VAL MG2 . . 3.710 2.685 2.390 2.968 . 0 0 "[ . 1]" 2
1247 1 48 ALA HA 1 49 GLY H . . 2.900 2.232 2.203 2.254 . 0 0 "[ . 1]" 2
1248 1 49 GLY H 1 75 LEU HA . . 4.220 3.687 3.566 3.852 . 0 0 "[ . 1]" 2
1249 1 49 GLY H 1 50 LYS H . . 4.780 4.290 4.114 4.371 . 0 0 "[ . 1]" 2
1250 1 49 GLY H 1 74 VAL H . . 3.710 2.305 1.914 2.509 . 0 0 "[ . 1]" 2
1251 1 50 LYS H 1 88 GLU HA . . 5.500 4.982 4.862 5.205 . 0 0 "[ . 1]" 2
1252 1 50 LYS H 1 91 LYS HG3 . . 4.800 2.311 1.948 2.920 . 0 0 "[ . 1]" 2
1253 1 50 LYS H 1 50 LYS HG3 . . 4.890 4.348 4.003 4.463 . 0 0 "[ . 1]" 2
1254 1 50 LYS H 1 74 VAL MG2 . . 5.010 4.878 4.755 5.004 . 0 0 "[ . 1]" 2
1255 1 51 ILE H 1 52 THR H . . 5.220 4.482 4.464 4.500 . 0 0 "[ . 1]" 2
1256 1 51 ILE H 1 73 TYR HA . . 4.060 3.441 3.118 3.815 . 0 0 "[ . 1]" 2
1257 1 51 ILE H 1 72 GLY HA3 . . 4.600 3.009 2.443 3.549 . 0 0 "[ . 1]" 2
1258 1 51 ILE H 1 72 GLY HA2 . . 4.900 3.608 3.092 4.007 . 0 0 "[ . 1]" 2
1259 1 51 ILE H 1 51 ILE HB . . 3.520 2.494 2.449 2.535 . 0 0 "[ . 1]" 2
1260 1 51 ILE H 1 52 THR MG . . 5.320 5.081 4.866 5.183 . 0 0 "[ . 1]" 2
1261 1 51 ILE H 1 51 ILE MG . . 3.190 2.738 2.702 2.763 . 0 0 "[ . 1]" 2
1262 1 51 ILE H 1 74 VAL MG2 . . 3.660 3.605 3.480 3.697 0.037 6 0 "[ . 1]" 2
1263 1 50 LYS HG2 1 51 ILE H . . 4.410 3.783 3.609 3.880 . 0 0 "[ . 1]" 2
1264 1 51 ILE H 1 87 ILE MG . . 4.960 4.459 4.342 4.642 . 0 0 "[ . 1]" 2
1265 1 51 ILE H 1 74 VAL MG1 . . 3.770 3.501 3.430 3.587 . 0 0 "[ . 1]" 2
1266 1 51 ILE HB 1 52 THR H . . 4.500 4.331 4.326 4.341 . 0 0 "[ . 1]" 2
1267 1 52 THR H 1 53 ALA MB . . 4.140 3.770 3.289 3.943 . 0 0 "[ . 1]" 2
1268 1 52 THR H 1 52 THR MG . . 3.530 2.170 1.990 2.438 . 0 0 "[ . 1]" 2
1269 1 51 ILE MD 1 52 THR H . . 3.950 1.821 1.817 1.826 . 0 0 "[ . 1]" 2
1270 1 52 THR H 1 87 ILE HA . . 4.790 4.627 4.285 4.722 . 0 0 "[ . 1]" 2
1271 1 51 ILE HA 1 52 THR H . . 3.030 2.191 2.185 2.194 . 0 0 "[ . 1]" 2
1272 1 52 THR H 1 86 THR HB . . 4.400 4.265 3.943 4.403 0.003 7 0 "[ . 1]" 2
1273 1 51 ILE MG 1 52 THR H . . 4.000 3.107 3.067 3.164 . 0 0 "[ . 1]" 2
1274 1 54 GLY H 1 85 CYS HA . . 5.040 4.593 4.171 4.776 . 0 0 "[ . 1]" 2
1275 1 53 ALA MB 1 54 GLY H . . 3.860 3.653 3.636 3.688 . 0 0 "[ . 1]" 2
1276 1 53 ALA H 1 54 GLY H . . 4.280 3.486 2.084 3.839 . 0 0 "[ . 1]" 2
1277 1 53 ALA HA 1 54 GLY H . . 3.320 2.439 2.313 2.912 . 0 0 "[ . 1]" 2
1278 1 51 ILE MG 1 54 GLY H . . 5.200 4.008 3.755 4.104 . 0 0 "[ . 1]" 2
1279 1 55 SER H 1 85 CYS HA . . 4.890 3.856 3.372 4.042 . 0 0 "[ . 1]" 2
1280 1 54 GLY HA3 1 55 SER H . . 3.300 2.233 2.136 2.298 . 0 0 "[ . 1]" 2
1281 1 54 GLY HA2 1 55 SER H . . 3.300 2.994 2.869 3.266 . 0 0 "[ . 1]" 2
1282 1 54 GLY H 1 55 SER H . . 4.530 4.261 3.929 4.387 . 0 0 "[ . 1]" 2
1283 1 55 SER H 1 56 VAL H . . 4.640 4.236 3.982 4.326 . 0 0 "[ . 1]" 2
1284 1 56 VAL HA 1 57 ASP H . . 3.080 2.456 2.259 2.516 . 0 0 "[ . 1]" 2
1285 1 57 ASP H 1 57 ASP HB3 . . 3.760 3.311 3.223 3.375 . 0 0 "[ . 1]" 2
1286 1 57 ASP H 1 57 ASP HB2 . . 3.760 2.540 2.311 2.615 . 0 0 "[ . 1]" 2
1287 1 56 VAL HB 1 57 ASP H . . 3.340 2.272 2.127 2.760 . 0 0 "[ . 1]" 2
1288 1 56 VAL MG1 1 57 ASP H . . 4.180 3.601 3.482 3.787 . 0 0 "[ . 1]" 2
1289 1 56 VAL H 1 57 ASP H . . 4.530 4.399 4.393 4.423 . 0 0 "[ . 1]" 2
1290 1 58 GLN HB2 1 58 GLN HE22 . . 5.270 4.259 3.758 4.545 . 0 0 "[ . 1]" 2
1291 1 58 GLN HE22 1 74 VAL HA . . 3.740 2.150 1.925 2.284 . 0 0 "[ . 1]" 2
1292 1 58 GLN HE21 1 74 VAL HA . . 3.740 2.437 2.081 2.899 . 0 0 "[ . 1]" 2
1293 1 58 GLN HE22 1 64 LEU MD1 . . 4.120 2.128 1.877 2.359 . 0 0 "[ . 1]" 2
1294 1 58 GLN HE21 1 64 LEU MD1 . . 4.120 3.470 3.195 3.724 . 0 0 "[ . 1]" 2
1295 1 38 SER H 1 46 THR H . . 5.500 5.574 5.557 5.614 0.114 10 0 "[ . 1]" 2
1296 1 46 THR H 1 48 ALA H . . 5.020 3.779 3.674 3.883 . 0 0 "[ . 1]" 2
1297 1 45 SER H 1 46 THR H . . 3.160 1.870 1.820 1.903 . 0 0 "[ . 1]" 2
1298 1 46 THR H 1 46 THR HB . . 3.510 2.498 2.270 2.741 . 0 0 "[ . 1]" 2
1299 1 58 GLN HA 1 60 ASP H . . 4.310 3.083 3.022 3.255 . 0 0 "[ . 1]" 2
1300 1 59 SER HB2 1 60 ASP H . . 5.470 3.991 3.654 4.226 . 0 0 "[ . 1]" 2
1301 1 59 SER HB3 1 60 ASP H . . 5.470 4.157 3.950 4.463 . 0 0 "[ . 1]" 2
1302 1 60 ASP H 1 60 ASP HB3 . . 3.690 3.472 3.318 3.603 . 0 0 "[ . 1]" 2
1303 1 60 ASP H 1 60 ASP HB2 . . 3.690 2.395 2.231 2.465 . 0 0 "[ . 1]" 2
1304 1 60 ASP H 1 78 VAL HB . . 4.350 3.780 3.693 3.893 . 0 0 "[ . 1]" 2
1305 1 60 ASP H 1 61 GLN H . . 3.400 1.956 1.890 2.407 . 0 0 "[ . 1]" 2
1306 1 59 SER H 1 60 ASP H . . 3.650 2.522 2.232 2.721 . 0 0 "[ . 1]" 2
1307 1 68 GLN HE22 1 68 GLN HG2 . . 4.080 3.903 3.484 4.053 . 0 0 "[ . 1]" 2
1308 1 61 GLN HE22 1 64 LEU HB3 . . 4.650 4.226 3.757 4.643 . 0 0 "[ . 1]" 2
1309 1 61 GLN HE21 1 64 LEU HB3 . . 4.650 4.007 3.663 4.510 . 0 0 "[ . 1]" 2
1310 1 61 GLN HE22 1 64 LEU HB2 . . 4.820 2.791 2.291 3.220 . 0 0 "[ . 1]" 2
1311 1 61 GLN HE21 1 64 LEU HB2 . . 4.820 2.368 1.950 2.904 . 0 0 "[ . 1]" 2
1312 1 61 GLN HE22 1 75 LEU MD1 . . 6.720 4.595 4.323 4.977 . 0 0 "[ . 1]" 2
1313 1 68 GLN H 1 68 GLN HE21 . . 5.140 4.051 3.325 4.414 . 0 0 "[ . 1]" 2
1314 1 68 GLN HE22 1 95 LEU HA . . 5.500 4.933 4.458 5.501 0.001 5 0 "[ . 1]" 2
1315 1 61 GLN HE22 1 64 LEU HA . . 5.500 4.062 3.890 4.279 . 0 0 "[ . 1]" 2
1316 1 61 GLN HE21 1 64 LEU HA . . 5.500 4.328 4.078 5.468 . 0 0 "[ . 1]" 2
1317 1 68 GLN HE21 1 95 LEU HA . . 5.500 4.253 3.625 5.431 . 0 0 "[ . 1]" 2
1318 1 61 GLN HA 1 62 SER H . . 3.070 2.470 2.397 2.583 . 0 0 "[ . 1]" 2
1319 1 61 GLN HG2 1 62 SER H . . 5.500 4.592 4.385 4.794 . 0 0 "[ . 1]" 2
1320 1 61 GLN HG3 1 62 SER H . . 5.500 4.403 4.185 4.623 . 0 0 "[ . 1]" 2
1321 1 62 SER H 1 64 LEU HG . . 5.500 4.962 4.544 5.239 . 0 0 "[ . 1]" 2
1322 1 62 SER H 1 75 LEU HG . . 5.500 5.392 5.089 5.523 0.023 2 0 "[ . 1]" 2
1323 1 43 ALA MB 1 62 SER H . . 5.450 4.780 4.422 5.307 . 0 0 "[ . 1]" 2
1324 1 62 SER H 1 64 LEU H . . 4.640 3.882 3.434 4.182 . 0 0 "[ . 1]" 2
1325 1 63 PHE H 1 64 LEU H . . 3.290 2.610 2.214 3.212 . 0 0 "[ . 1]" 2
1326 1 62 SER H 1 63 PHE H . . 3.230 1.918 1.801 2.068 . 0 0 "[ . 1]" 2
1327 1 63 PHE H 1 63 PHE QD . . 4.180 4.174 4.108 4.220 0.040 1 0 "[ . 1]" 2
1328 1 63 PHE H 1 64 LEU HG . . 4.630 4.138 3.753 4.660 0.030 6 0 "[ . 1]" 2
1329 1 57 ASP H 1 80 TYR H . . 3.910 1.940 1.891 2.253 . 0 0 "[ . 1]" 2
1330 1 79 ALA HA 1 80 TYR H . . 2.920 2.164 2.155 2.182 . 0 0 "[ . 1]" 2
1331 1 80 TYR H 1 80 TYR HB3 . . 4.010 3.713 3.695 3.729 . 0 0 "[ . 1]" 2
1332 1 80 TYR H 1 80 TYR HB2 . . 4.010 2.550 2.521 2.573 . 0 0 "[ . 1]" 2
1333 1 68 GLN H 1 68 GLN HG2 . . 4.360 4.004 3.737 4.363 0.003 2 0 "[ . 1]" 2
1334 1 68 GLN H 1 69 ILE HB . . 5.200 4.944 4.780 5.052 . 0 0 "[ . 1]" 2
1335 1 56 VAL HB 1 80 TYR H . . 4.430 2.841 2.662 3.066 . 0 0 "[ . 1]" 2
1336 1 43 ALA MB 1 63 PHE H . . 5.500 5.198 4.649 5.522 0.022 7 0 "[ . 1]" 2
1337 1 79 ALA MB 1 80 TYR H . . 3.720 3.035 2.943 3.078 . 0 0 "[ . 1]" 2
1338 1 24 ILE MD 1 80 TYR H . . 5.040 4.275 3.986 4.571 . 0 0 "[ . 1]" 2
1339 1 68 GLN H 1 69 ILE H . . 3.350 2.782 2.634 2.877 . 0 0 "[ . 1]" 2
1340 1 80 TYR H 1 80 TYR QD . . 4.640 3.279 3.100 3.419 . 0 0 "[ . 1]" 2
1341 1 57 ASP HB2 1 80 TYR H . . 5.080 3.583 3.415 3.843 . 0 0 "[ . 1]" 2
1342 1 64 LEU H 1 65 ASP H . . 4.940 4.593 4.499 4.644 . 0 0 "[ . 1]" 2
1343 1 63 PHE HB3 1 64 LEU H . . 3.960 2.148 1.895 2.306 . 0 0 "[ . 1]" 2
1344 1 64 LEU H 1 64 LEU HG . . 3.190 1.937 1.925 1.951 . 0 0 "[ . 1]" 2
1345 1 64 LEU H 1 75 LEU MD2 . . 5.030 4.298 3.846 4.508 . 0 0 "[ . 1]" 2
1346 1 64 LEU H 1 64 LEU HB2 . . 3.950 2.714 2.660 2.774 . 0 0 "[ . 1]" 2
1347 1 64 LEU H 1 75 LEU MD1 . . 5.030 3.200 2.874 3.372 . 0 0 "[ . 1]" 2
1348 1 64 LEU H 1 64 LEU MD2 . . 3.790 2.904 2.613 3.245 . 0 0 "[ . 1]" 2
1349 1 64 LEU H 1 64 LEU HB3 . . 3.690 3.574 3.558 3.588 . 0 0 "[ . 1]" 2
1350 1 61 GLN H 1 78 VAL HB . . 3.710 3.535 3.183 3.716 0.006 3 0 "[ . 1]" 2
1351 1 58 GLN HB2 1 61 GLN H . . 5.270 3.316 3.174 3.426 . 0 0 "[ . 1]" 2
1352 1 59 SER HA 1 61 GLN H . . 4.770 3.974 3.819 4.385 . 0 0 "[ . 1]" 2
1353 1 58 GLN HA 1 61 GLN H . . 5.130 3.890 3.763 3.975 . 0 0 "[ . 1]" 2
1354 1 61 GLN H 1 62 SER H . . 4.930 4.625 4.583 4.643 . 0 0 "[ . 1]" 2
1355 1 66 ASP H 1 67 ASP H . . 3.340 2.145 1.897 2.712 . 0 0 "[ . 1]" 2
1356 1 67 ASP H 1 68 GLN H . . 3.160 2.550 2.466 2.641 . 0 0 "[ . 1]" 2
1357 1 65 ASP HA 1 67 ASP H . . 5.500 5.074 4.178 5.509 0.009 3 0 "[ . 1]" 2
1358 1 67 ASP H 1 67 ASP HB3 . . 3.640 2.921 2.419 3.558 . 0 0 "[ . 1]" 2
1359 1 67 ASP H 1 67 ASP HB2 . . 3.640 2.371 2.124 2.787 . 0 0 "[ . 1]" 2
1360 1 65 ASP H 1 66 ASP H . . 4.820 3.045 2.407 4.331 . 0 0 "[ . 1]" 2
1361 1 66 ASP H 1 68 GLN H . . 5.300 3.340 2.701 4.689 . 0 0 "[ . 1]" 2
1362 1 67 ASP H 1 69 ILE H . . 4.920 4.359 4.074 4.650 . 0 0 "[ . 1]" 2
1363 1 69 ILE H 1 71 ALA H . . 4.710 4.546 4.376 4.632 . 0 0 "[ . 1]" 2
1364 1 65 ASP H 1 69 ILE H . . 3.940 3.421 2.301 3.944 0.004 3 0 "[ . 1]" 2
1365 1 68 GLN HB2 1 69 ILE H . . 4.430 2.565 2.380 2.753 . 0 0 "[ . 1]" 2
1366 1 68 GLN HB3 1 69 ILE H . . 4.430 2.940 2.648 3.223 . 0 0 "[ . 1]" 2
1367 1 68 GLN HG2 1 69 ILE H . . 4.800 4.804 4.784 4.827 0.027 10 0 "[ . 1]" 2
1368 1 69 ILE H 1 69 ILE HB . . 3.050 2.599 2.534 2.694 . 0 0 "[ . 1]" 2
1369 1 69 ILE H 1 69 ILE HG13 . . 3.880 2.092 1.944 2.287 . 0 0 "[ . 1]" 2
1370 1 64 LEU HB2 1 69 ILE H . . 4.650 4.139 3.985 4.277 . 0 0 "[ . 1]" 2
1371 1 68 GLN HG3 1 69 ILE H . . 4.930 4.851 4.739 4.956 0.026 6 0 "[ . 1]" 2
1372 1 67 ASP HA 1 70 GLU H . . 3.960 3.653 3.506 3.772 . 0 0 "[ . 1]" 2
1373 1 66 ASP HA 1 70 GLU H . . 4.520 4.132 4.033 4.195 . 0 0 "[ . 1]" 2
1374 1 70 GLU H 1 70 GLU HB2 . . 3.300 2.150 2.065 2.492 . 0 0 "[ . 1]" 2
1375 1 70 GLU H 1 70 GLU HB3 . . 3.300 3.135 2.582 3.315 0.015 9 0 "[ . 1]" 2
1376 1 69 ILE HB 1 70 GLU H . . 3.330 2.832 2.726 2.911 . 0 0 "[ . 1]" 2
1377 1 70 GLU H 1 71 ALA MB . . 4.710 4.351 4.246 4.479 . 0 0 "[ . 1]" 2
1378 1 69 ILE MG 1 70 GLU H . . 3.780 3.656 3.545 3.735 . 0 0 "[ . 1]" 2
1379 1 69 ILE MD 1 70 GLU H . . 5.140 4.357 3.600 4.773 . 0 0 "[ . 1]" 2
1380 1 67 ASP H 1 70 GLU H . . 4.740 4.651 4.429 4.758 0.018 6 0 "[ . 1]" 2
1381 1 72 GLY H 1 73 TYR HB3 . . 5.500 5.506 5.493 5.526 0.026 5 0 "[ . 1]" 2
1382 1 72 GLY H 1 73 TYR HB2 . . 5.330 4.229 4.193 4.284 . 0 0 "[ . 1]" 2
1383 1 71 ALA MB 1 72 GLY H . . 3.980 2.686 2.586 2.749 . 0 0 "[ . 1]" 2
1384 1 74 VAL HA 1 75 LEU H . . 3.010 2.161 2.144 2.173 . 0 0 "[ . 1]" 2
1385 1 58 GLN HB3 1 75 LEU H . . 4.740 3.929 3.768 4.129 . 0 0 "[ . 1]" 2
1386 1 58 GLN HG2 1 75 LEU H . . 5.500 4.508 4.376 4.675 . 0 0 "[ . 1]" 2
1387 1 75 LEU H 1 75 LEU HB3 . . 3.920 3.576 3.565 3.582 . 0 0 "[ . 1]" 2
1388 1 75 LEU H 1 75 LEU HG . . 4.180 2.488 2.349 2.599 . 0 0 "[ . 1]" 2
1389 1 75 LEU H 1 75 LEU HB2 . . 3.920 2.391 2.334 2.469 . 0 0 "[ . 1]" 2
1390 1 75 LEU H 1 75 LEU MD1 . . 4.290 3.806 3.737 3.843 . 0 0 "[ . 1]" 2
1391 1 74 VAL MG2 1 75 LEU H . . 4.210 3.919 3.819 4.037 . 0 0 "[ . 1]" 2
1392 1 72 GLY H 1 73 TYR QD . . 4.790 4.073 3.905 4.263 . 0 0 "[ . 1]" 2
1393 1 70 GLU H 1 72 GLY H . . 4.650 4.056 3.938 4.150 . 0 0 "[ . 1]" 2
1394 1 74 VAL H 1 75 LEU H . . 4.550 4.353 4.276 4.393 . 0 0 "[ . 1]" 2
1395 1 72 GLY H 1 73 TYR H . . 3.180 2.029 1.942 2.101 . 0 0 "[ . 1]" 2
1396 1 73 TYR H 1 73 TYR HB3 . . 3.630 3.590 3.574 3.604 . 0 0 "[ . 1]" 2
1397 1 73 TYR H 1 73 TYR HB2 . . 3.300 2.647 2.602 2.719 . 0 0 "[ . 1]" 2
1398 1 71 ALA MB 1 73 TYR H . . 3.820 2.754 2.656 2.914 . 0 0 "[ . 1]" 2
1399 1 64 LEU MD2 1 73 TYR H . . 5.450 5.300 5.053 5.458 0.008 9 0 "[ . 1]" 2
1400 1 73 TYR HB3 1 74 VAL H . . 3.790 3.547 3.317 3.793 0.003 1 0 "[ . 1]" 2
1401 1 73 TYR HB2 1 74 VAL H . . 4.500 4.233 4.122 4.351 . 0 0 "[ . 1]" 2
1402 1 74 VAL H 1 74 VAL HB . . 3.960 3.807 3.753 3.862 . 0 0 "[ . 1]" 2
1403 1 48 ALA MB 1 74 VAL H . . 4.290 3.569 3.253 3.726 . 0 0 "[ . 1]" 2
1404 1 74 VAL H 1 74 VAL MG2 . . 3.210 2.057 1.974 2.133 . 0 0 "[ . 1]" 2
1405 1 74 VAL H 1 74 VAL MG1 . . 3.390 2.802 2.694 2.946 . 0 0 "[ . 1]" 2
1406 1 74 VAL H 1 76 THR MG . . 5.170 4.828 4.664 4.928 . 0 0 "[ . 1]" 2
1407 1 73 TYR HA 1 74 VAL H . . 2.950 2.146 2.138 2.167 . 0 0 "[ . 1]" 2
1408 1 51 ILE H 1 74 VAL H . . 4.310 3.813 3.694 4.028 . 0 0 "[ . 1]" 2
1409 1 86 THR HA 1 87 ILE H . . 2.890 2.346 2.232 2.391 . 0 0 "[ . 1]" 2
1410 1 6 LYS HB3 1 87 ILE H . . 4.240 3.973 3.871 4.026 . 0 0 "[ . 1]" 2
1411 1 87 ILE H 1 87 ILE HB . . 3.450 2.545 2.496 2.621 . 0 0 "[ . 1]" 2
1412 1 86 THR MG 1 87 ILE H . . 3.600 3.543 3.384 3.608 0.008 6 0 "[ . 1]" 2
1413 1 87 ILE H 1 87 ILE MD . . 3.860 2.264 1.923 2.583 . 0 0 "[ . 1]" 2
1414 1 87 ILE H 1 87 ILE MG . . 4.430 3.769 3.767 3.774 . 0 0 "[ . 1]" 2
1415 1 8 ILE H 1 87 ILE H . . 4.910 4.538 4.382 4.667 . 0 0 "[ . 1]" 2
1416 1 75 LEU MD2 1 76 THR H . . 5.390 3.577 3.515 3.678 . 0 0 "[ . 1]" 2
1417 1 48 ALA HA 1 76 THR H . . 4.030 2.794 2.657 2.998 . 0 0 "[ . 1]" 2
1418 1 75 LEU HA 1 76 THR H . . 3.000 2.146 2.139 2.158 . 0 0 "[ . 1]" 2
1419 1 75 LEU HB3 1 76 THR H . . 4.650 3.619 3.518 3.705 . 0 0 "[ . 1]" 2
1420 1 75 LEU MD1 1 76 THR H . . 5.390 5.178 5.085 5.244 . 0 0 "[ . 1]" 2
1421 1 77 CYS H 1 78 VAL H . . 3.150 2.479 2.424 2.546 . 0 0 "[ . 1]" 2
1422 1 77 CYS H 1 77 CYS HB3 . . 3.660 2.611 2.544 2.729 . 0 0 "[ . 1]" 2
1423 1 77 CYS H 1 77 CYS HB2 . . 3.620 3.614 3.593 3.626 0.006 9 0 "[ . 1]" 2
1424 1 75 LEU HB2 1 77 CYS H . . 5.090 4.167 4.074 4.371 . 0 0 "[ . 1]" 2
1425 1 25 LEU HB2 1 77 CYS H . . 4.230 3.818 3.566 4.125 . 0 0 "[ . 1]" 2
1426 1 75 LEU MD1 1 77 CYS H . . 5.500 4.542 4.447 4.750 . 0 0 "[ . 1]" 2
1427 1 77 CYS H 1 78 VAL MG2 . . 5.500 3.470 3.423 3.539 . 0 0 "[ . 1]" 2
1428 1 76 THR HB 1 77 CYS H . . 4.410 4.035 3.936 4.095 . 0 0 "[ . 1]" 2
1429 1 25 LEU MD2 1 77 CYS H . . 4.360 3.869 3.549 4.034 . 0 0 "[ . 1]" 2
1430 1 78 VAL H 1 79 ALA H . . 3.100 2.523 2.445 2.583 . 0 0 "[ . 1]" 2
1431 1 77 CYS HB3 1 78 VAL H . . 5.250 4.258 4.200 4.370 . 0 0 "[ . 1]" 2
1432 1 75 LEU HB3 1 78 VAL H . . 4.740 3.100 3.013 3.314 . 0 0 "[ . 1]" 2
1433 1 75 LEU HB2 1 78 VAL H . . 4.660 3.444 3.343 3.556 . 0 0 "[ . 1]" 2
1434 1 78 VAL H 1 79 ALA MB . . 4.060 3.411 3.388 3.431 . 0 0 "[ . 1]" 2
1435 1 78 VAL H 1 78 VAL MG2 . . 3.920 2.310 2.213 2.350 . 0 0 "[ . 1]" 2
1436 1 24 ILE MD 1 79 ALA H . . 4.470 3.610 3.174 4.161 . 0 0 "[ . 1]" 2
1437 1 22 THR H 1 22 THR HB . . 3.250 3.182 2.900 3.266 0.016 4 0 "[ . 1]" 2
1438 1 23 TYR H 1 26 ASP H . . 5.190 4.318 4.075 4.681 . 0 0 "[ . 1]" 2
1439 1 22 THR HB 1 23 TYR H . . 4.430 3.117 2.883 3.535 . 0 0 "[ . 1]" 2
1440 1 23 TYR H 1 23 TYR QD . . 3.690 2.789 2.306 3.017 . 0 0 "[ . 1]" 2
1441 1 22 THR HA 1 23 TYR H . . 2.870 2.430 2.337 2.504 . 0 0 "[ . 1]" 2
1442 1 3 TYR QD 1 84 ASP H . . 4.020 2.800 2.317 3.034 . 0 0 "[ . 1]" 2
1443 1 3 TYR QE 1 84 ASP H . . 4.950 4.061 3.727 4.283 . 0 0 "[ . 1]" 2
1444 1 83 SER HB3 1 84 ASP H . . 4.100 3.128 2.372 3.940 . 0 0 "[ . 1]" 2
1445 1 83 SER HB2 1 84 ASP H . . 4.100 3.051 2.221 3.928 . 0 0 "[ . 1]" 2
1446 1 83 SER HA 1 84 ASP H . . 3.280 2.497 2.464 2.572 . 0 0 "[ . 1]" 2
1447 1 3 TYR HB3 1 84 ASP H . . 4.800 2.748 2.670 2.861 . 0 0 "[ . 1]" 2
1448 1 84 ASP H 1 84 ASP HB3 . . 3.710 2.464 2.318 2.734 . 0 0 "[ . 1]" 2
1449 1 84 ASP H 1 84 ASP HB2 . . 3.710 3.253 2.713 3.593 . 0 0 "[ . 1]" 2
1450 1 5 VAL MG2 1 85 CYS H . . 4.820 3.401 3.279 3.618 . 0 0 "[ . 1]" 2
1451 1 3 TYR HB3 1 85 CYS H . . 4.620 4.567 4.295 4.632 0.012 9 0 "[ . 1]" 2
1452 1 4 THR MG 1 85 CYS H . . 5.430 3.673 3.566 3.742 . 0 0 "[ . 1]" 2
1453 1 5 VAL MG1 1 85 CYS H . . 4.820 4.039 3.994 4.156 . 0 0 "[ . 1]" 2
1454 1 84 ASP HA 1 85 CYS H . . 2.980 2.216 2.156 2.254 . 0 0 "[ . 1]" 2
1455 1 5 VAL HA 1 85 CYS H . . 3.680 2.636 2.598 2.704 . 0 0 "[ . 1]" 2
1456 1 85 CYS H 1 86 THR H . . 4.710 4.346 4.314 4.409 . 0 0 "[ . 1]" 2
1457 1 4 THR H 1 85 CYS H . . 5.500 5.321 4.845 5.502 0.002 8 0 "[ . 1]" 2
1458 1 84 ASP H 1 85 CYS H . . 4.770 4.613 4.554 4.635 . 0 0 "[ . 1]" 2
1459 1 86 THR H 1 87 ILE H . . 4.600 3.687 3.441 4.005 . 0 0 "[ . 1]" 2
1460 1 58 GLN HG2 1 59 SER H . . 5.500 5.355 5.244 5.474 . 0 0 "[ . 1]" 2
1461 1 59 SER H 1 78 VAL HB . . 5.500 5.209 5.034 5.372 . 0 0 "[ . 1]" 2
1462 1 58 GLN HB2 1 59 SER H . . 4.880 4.246 4.227 4.270 . 0 0 "[ . 1]" 2
1463 1 85 CYS HA 1 86 THR H . . 3.100 2.333 2.250 2.461 . 0 0 "[ . 1]" 2
1464 1 86 THR H 1 87 ILE HA . . 5.040 4.626 4.405 4.831 . 0 0 "[ . 1]" 2
1465 1 86 THR H 1 86 THR HB . . 3.450 2.621 2.551 2.756 . 0 0 "[ . 1]" 2
1466 1 85 CYS HB2 1 86 THR H . . 4.070 2.611 2.299 2.868 . 0 0 "[ . 1]" 2
1467 1 51 ILE HG13 1 86 THR H . . 4.580 4.083 3.942 4.321 . 0 0 "[ . 1]" 2
1468 1 53 ALA MB 1 86 THR H . . 3.490 3.295 2.731 3.496 0.006 4 0 "[ . 1]" 2
1469 1 86 THR H 1 86 THR MG . . 4.210 3.849 3.818 3.904 . 0 0 "[ . 1]" 2
1470 1 51 ILE HG12 1 86 THR H . . 4.580 3.778 3.639 3.956 . 0 0 "[ . 1]" 2
1471 1 88 GLU H 1 88 GLU HG3 . . 4.030 3.132 2.710 3.706 . 0 0 "[ . 1]" 2
1472 1 88 GLU H 1 88 GLU HB2 . . 3.260 2.346 2.295 2.460 . 0 0 "[ . 1]" 2
1473 1 50 LYS HB3 1 88 GLU H . . 4.510 3.914 3.681 4.068 . 0 0 "[ . 1]" 2
1474 1 76 THR MG 1 88 GLU H . . 5.500 5.444 5.281 5.516 0.016 8 0 "[ . 1]" 2
1475 1 52 THR MG 1 88 GLU H . . 5.350 5.339 5.249 5.368 0.018 5 0 "[ . 1]" 2
1476 1 51 ILE MG 1 88 GLU H . . 5.500 5.523 5.505 5.540 0.040 8 0 "[ . 1]" 2
1477 1 51 ILE MD 1 88 GLU H . . 5.010 4.468 4.419 4.538 . 0 0 "[ . 1]" 2
1478 1 74 VAL MG2 1 88 GLU H . . 5.500 4.685 4.553 4.835 . 0 0 "[ . 1]" 2
1479 1 87 ILE MG 1 88 GLU H . . 3.570 2.486 2.292 2.690 . 0 0 "[ . 1]" 2
1480 1 8 ILE HG12 1 88 GLU H . . 5.230 4.860 4.754 4.950 . 0 0 "[ . 1]" 2
1481 1 86 THR MG 1 88 GLU H . . 5.440 4.643 4.472 4.819 . 0 0 "[ . 1]" 2
1482 1 88 GLU H 1 88 GLU HG2 . . 4.030 3.782 3.346 4.039 0.009 4 0 "[ . 1]" 2
1483 1 87 ILE HB 1 88 GLU H . . 4.690 4.126 4.001 4.203 . 0 0 "[ . 1]" 2
1484 1 87 ILE HA 1 88 GLU H . . 2.960 2.160 2.148 2.179 . 0 0 "[ . 1]" 2
1485 1 51 ILE HA 1 88 GLU H . . 4.260 3.408 3.319 3.462 . 0 0 "[ . 1]" 2
1486 1 8 ILE H 1 88 GLU H . . 5.490 4.902 4.782 4.988 . 0 0 "[ . 1]" 2
1487 1 52 THR H 1 88 GLU H . . 5.320 5.280 5.154 5.331 0.011 4 0 "[ . 1]" 2
1488 1 7 LEU HA 1 89 THR H . . 4.720 4.178 4.075 4.301 . 0 0 "[ . 1]" 2
1489 1 88 GLU HA 1 89 THR H . . 2.910 2.169 2.152 2.217 . 0 0 "[ . 1]" 2
1490 1 88 GLU H 1 89 THR H . . 4.570 4.223 4.084 4.299 . 0 0 "[ . 1]" 2
1491 1 89 THR HB 1 90 HIS H . . 3.200 2.199 2.067 2.296 . 0 0 "[ . 1]" 2
1492 1 89 THR H 1 90 HIS H . . 5.050 4.576 4.545 4.600 . 0 0 "[ . 1]" 2
1493 1 36 PRO HG3 1 90 HIS H . . 5.350 2.463 2.230 2.900 . 0 0 "[ . 1]" 2
1494 1 36 PRO HG2 1 90 HIS H . . 5.350 3.107 2.881 3.617 . 0 0 "[ . 1]" 2
1495 1 89 THR MG 1 90 HIS H . . 4.030 3.750 3.678 3.822 . 0 0 "[ . 1]" 2
1496 1 49 GLY HA2 1 91 LYS H . . 4.670 3.765 3.280 4.034 . 0 0 "[ . 1]" 2
1497 1 91 LYS H 1 91 LYS HB3 . . 3.970 3.707 3.554 3.883 . 0 0 "[ . 1]" 2
1498 1 91 LYS H 1 91 LYS HB2 . . 3.970 2.568 2.352 2.835 . 0 0 "[ . 1]" 2
1499 1 90 HIS H 1 91 LYS H . . 3.900 2.788 2.670 2.905 . 0 0 "[ . 1]" 2
1500 1 8 ILE HG12 1 9 THR H . . 5.500 5.168 5.152 5.177 . 0 0 "[ . 1]" 2
1501 1 9 THR H 1 89 THR MG . . 5.500 5.046 4.703 5.331 . 0 0 "[ . 1]" 2
1502 1 8 ILE HA 1 9 THR H . . 2.850 2.162 2.159 2.167 . 0 0 "[ . 1]" 2
1503 1 9 THR H 1 13 GLU HA . . 3.700 3.069 3.041 3.110 . 0 0 "[ . 1]" 2
1504 1 8 ILE H 1 9 THR H . . 4.780 4.565 4.554 4.575 . 0 0 "[ . 1]" 2
1505 1 92 GLU H 1 93 GLU H . . 3.690 2.266 1.890 2.656 . 0 0 "[ . 1]" 2
1506 1 91 LYS HA 1 93 GLU H . . 4.520 3.516 3.252 3.974 . 0 0 "[ . 1]" 2
1507 1 92 GLU HA 1 95 LEU H . . 4.700 3.828 3.625 3.967 . 0 0 "[ . 1]" 2
1508 1 94 ASP HB3 1 95 LEU H . . 4.550 3.469 3.108 3.821 . 0 0 "[ . 1]" 2
1509 1 94 ASP HB2 1 95 LEU H . . 4.550 3.134 2.834 3.341 . 0 0 "[ . 1]" 2
1510 1 93 GLU HB2 1 95 LEU H . . 5.500 5.357 5.112 5.537 0.037 10 0 "[ . 1]" 2
1511 1 93 GLU HB3 1 95 LEU H . . 5.500 5.333 5.006 5.516 0.016 8 0 "[ . 1]" 2
1512 1 95 LEU H 1 95 LEU HG . . 3.370 2.183 1.958 2.507 . 0 0 "[ . 1]" 2
1513 1 95 LEU H 1 95 LEU MD2 . . 4.460 2.846 2.554 3.267 . 0 0 "[ . 1]" 2
1514 1 94 ASP H 1 96 TYR H . . 4.810 4.257 3.960 4.750 . 0 0 "[ . 1]" 2
1515 1 95 LEU H 1 96 TYR H . . 3.220 2.456 2.178 2.816 . 0 0 "[ . 1]" 2
1516 1 96 TYR H 1 96 TYR QE . . 5.370 4.437 3.974 5.372 0.002 6 0 "[ . 1]" 2
1517 1 96 TYR H 1 96 TYR HB3 . . 3.930 3.664 3.568 3.811 . 0 0 "[ . 1]" 2
1518 1 96 TYR H 1 96 TYR HB2 . . 3.930 2.905 2.330 3.937 0.007 3 0 "[ . 1]" 2
1519 1 95 LEU HG 1 96 TYR H . . 5.020 4.004 3.595 4.657 . 0 0 "[ . 1]" 2
1520 1 33 LEU HB2 1 34 ASP H . . 4.490 3.652 2.903 4.511 0.021 8 0 "[ . 1]" 2
1521 1 33 LEU HB3 1 34 ASP H . . 3.680 3.465 3.143 3.734 0.054 8 0 "[ . 1]" 2
1522 1 34 ASP H 1 35 LEU MD2 . . 5.500 5.502 5.323 5.587 0.087 9 0 "[ . 1]" 2
1523 1 34 ASP H 1 35 LEU MD1 . . 5.500 3.652 3.416 3.812 . 0 0 "[ . 1]" 2
1524 1 34 ASP H 1 34 ASP HB3 . . 4.030 3.786 3.585 4.059 0.029 10 0 "[ . 1]" 2
1525 1 34 ASP H 1 34 ASP HB2 . . 4.030 3.038 2.360 3.730 . 0 0 "[ . 1]" 2
1526 1 33 LEU HA 1 34 ASP H . . 3.570 2.959 2.155 3.530 . 0 0 "[ . 1]" 2
1527 1 34 ASP H 1 35 LEU H . . 4.090 3.156 2.822 3.440 . 0 0 "[ . 1]" 2
1528 1 60 ASP H 1 78 VAL MG2 . . 5.100 4.298 4.120 4.587 . 0 0 "[ . 1]" 2
1529 1 60 ASP H 1 78 VAL MG1 . . 5.100 4.645 4.455 4.778 . 0 0 "[ . 1]" 2
1530 1 19 SER H 1 21 ASP H . . 5.460 4.926 4.742 5.282 . 0 0 "[ . 1]" 2
1531 1 5 VAL HA 1 6 LYS H . . 3.080 2.167 2.143 2.198 . 0 0 "[ . 1]" 2
1532 1 6 LYS H 1 6 LYS HB2 . . 3.710 2.306 2.142 2.617 . 0 0 "[ . 1]" 2
1533 1 6 LYS H 1 6 LYS HB3 . . 3.620 2.872 2.598 3.063 . 0 0 "[ . 1]" 2
1534 1 6 LYS H 1 6 LYS HD2 . . 5.500 5.084 4.761 5.382 . 0 0 "[ . 1]" 2
1535 1 6 LYS H 1 6 LYS HD3 . . 5.500 4.292 3.836 5.165 . 0 0 "[ . 1]" 2
1536 1 6 LYS H 1 7 LEU HG . . 5.500 5.135 4.938 5.343 . 0 0 "[ . 1]" 2
1537 1 6 LYS H 1 6 LYS HG3 . . 4.830 4.280 4.059 4.489 . 0 0 "[ . 1]" 2
1538 1 4 THR MG 1 6 LYS H . . 5.240 4.576 4.438 4.689 . 0 0 "[ . 1]" 2
1539 1 6 LYS H 1 86 THR MG . . 5.500 4.288 3.992 4.403 . 0 0 "[ . 1]" 2
1540 1 6 LYS H 1 6 LYS HG2 . . 4.830 4.656 4.522 4.719 . 0 0 "[ . 1]" 2
1541 1 16 ILE H 1 16 ILE HG13 . . 3.560 2.659 2.339 3.182 . 0 0 "[ . 1]" 2
1542 1 16 ILE H 1 16 ILE MD . . 4.960 3.802 3.699 3.959 . 0 0 "[ . 1]" 2
1543 1 16 ILE H 1 17 GLU H . . 4.590 4.509 4.401 4.560 . 0 0 "[ . 1]" 2
1544 1 17 GLU H 1 18 CYS H . . 5.120 4.336 4.214 4.526 . 0 0 "[ . 1]" 2
1545 1 17 GLU H 1 17 GLU HB2 . . 3.320 2.348 2.213 2.750 . 0 0 "[ . 1]" 2
1546 1 17 GLU H 1 17 GLU HB3 . . 3.320 3.240 3.046 3.327 0.007 7 0 "[ . 1]" 2
1547 1 38 SER H 1 46 THR MG . . 3.840 2.801 2.421 2.997 . 0 0 "[ . 1]" 2
1548 1 40 ARG H 1 40 ARG HB2 . . 3.970 3.932 3.926 3.949 . 0 0 "[ . 1]" 2
1549 1 43 ALA H 1 78 VAL MG2 . . 5.500 4.251 3.988 4.329 . 0 0 "[ . 1]" 2
1550 1 46 THR H 1 47 CYS H . . 3.290 2.412 2.320 2.517 . 0 0 "[ . 1]" 2
1551 1 44 CYS HB3 1 46 THR H . . 4.620 4.232 4.143 4.269 . 0 0 "[ . 1]" 2
1552 1 44 CYS HB2 1 46 THR H . . 4.620 2.913 2.757 2.974 . 0 0 "[ . 1]" 2
1553 1 48 ALA H 1 92 GLU HA . . 5.360 5.243 5.055 5.384 0.024 10 0 "[ . 1]" 2
1554 1 52 THR H 1 86 THR H . . 4.600 4.296 4.031 4.427 . 0 0 "[ . 1]" 2
1555 1 58 GLN H 1 59 SER H . . 3.410 3.412 3.396 3.424 0.014 5 0 "[ . 1]" 2
1556 1 58 GLN HB3 1 59 SER H . . 4.750 4.588 4.575 4.599 . 0 0 "[ . 1]" 2
1557 1 74 VAL MG2 1 76 THR H . . 4.210 4.213 4.107 4.245 0.035 5 0 "[ . 1]" 2
1558 1 89 THR H 1 89 THR MG . . 3.140 1.945 1.911 2.131 . 0 0 "[ . 1]" 2
1559 1 87 ILE MG 1 89 THR H . . 4.940 3.754 3.483 3.987 . 0 0 "[ . 1]" 2
1560 1 91 LYS H 1 92 GLU H . . 3.480 3.055 2.493 3.473 . 0 0 "[ . 1]" 2
1561 1 93 GLU H 1 95 LEU H . . 4.910 4.121 3.659 4.616 . 0 0 "[ . 1]" 2
1562 1 93 GLU HA 1 95 LEU H . . 3.940 3.807 3.590 3.949 0.009 5 0 "[ . 1]" 2
1563 1 95 LEU H 1 95 LEU MD1 . . 4.460 3.748 3.594 3.872 . 0 0 "[ . 1]" 2
1564 1 6 LYS H 1 86 THR HA . . 3.500 2.766 2.505 2.897 . 0 0 "[ . 1]" 2
1565 1 23 TYR H 1 23 TYR HB3 . . 4.060 3.693 3.644 3.730 . 0 0 "[ . 1]" 2
1566 1 23 TYR H 1 26 ASP HB2 . . 4.840 3.383 2.671 4.010 . 0 0 "[ . 1]" 2
1567 1 23 TYR H 1 26 ASP HB3 . . 4.840 3.682 3.122 4.118 . 0 0 "[ . 1]" 2
1568 1 24 ILE HB 1 25 LEU H . . 3.410 2.721 2.543 2.891 . 0 0 "[ . 1]" 2
1569 1 40 ARG HB2 1 40 ARG HE . . 4.470 4.148 3.740 4.530 0.060 8 0 "[ . 1]" 2
1570 1 65 ASP H 1 68 GLN HG3 . . 5.130 5.049 4.881 5.136 0.006 1 0 "[ . 1]" 2
1571 1 68 GLN H 1 68 GLN HG3 . . 5.290 3.943 3.604 4.396 . 0 0 "[ . 1]" 2
1572 1 64 LEU MD1 1 73 TYR H . . 5.400 4.799 4.560 5.053 . 0 0 "[ . 1]" 2
1573 1 21 ASP H 1 22 THR H . . 3.090 2.969 2.835 3.098 0.008 2 0 "[ . 1]" 2
1574 1 76 THR H 1 77 CYS HB3 . . 5.500 4.860 4.783 5.065 . 0 0 "[ . 1]" 2
1575 1 63 PHE HB2 1 64 LEU H . . 4.050 3.618 3.436 3.753 . 0 0 "[ . 1]" 2
1576 1 64 LEU H 1 64 LEU MD1 . . 3.860 3.535 3.351 3.608 . 0 0 "[ . 1]" 2
1577 1 61 GLN HE21 1 75 LEU MD1 . . 6.720 3.452 3.058 5.141 . 0 0 "[ . 1]" 2
1578 1 19 SER H 1 22 THR H . . 5.160 4.483 4.114 4.671 . 0 0 "[ . 1]" 2
1579 1 20 ASP H 1 22 THR H . . 5.480 4.570 4.192 4.730 . 0 0 "[ . 1]" 2
1580 1 23 TYR H 1 27 ALA H . . 5.500 4.569 4.346 4.888 . 0 0 "[ . 1]" 2
1581 1 1 ALA MB 1 20 ASP QB . . 4.230 3.896 2.883 4.231 0.001 8 0 "[ . 1]" 2
1582 1 2 SER H 1 2 SER QB . . 3.470 2.437 2.111 2.989 . 0 0 "[ . 1]" 2
1583 1 2 SER QB 1 3 TYR H . . 4.410 3.393 2.725 4.026 . 0 0 "[ . 1]" 2
1584 1 2 SER QB 1 18 CYS H . . 5.340 4.163 3.438 5.041 . 0 0 "[ . 1]" 2
1585 1 3 TYR H 1 5 VAL QG . . 5.310 3.850 3.624 4.499 . 0 0 "[ . 1]" 2
1586 1 3 TYR H 1 18 CYS QB . . 5.340 4.233 4.061 4.807 . 0 0 "[ . 1]" 2
1587 1 3 TYR HB3 1 5 VAL QG . . 4.700 4.060 3.939 4.384 . 0 0 "[ . 1]" 2
1588 1 3 TYR QD 1 5 VAL QG . . 5.440 5.099 4.970 5.312 . 0 0 "[ . 1]" 2
1589 1 3 TYR QE 1 83 SER QB . . 5.200 4.156 3.583 4.704 . 0 0 "[ . 1]" 2
1590 1 4 THR H 1 5 VAL QG . . 5.190 4.513 4.424 4.574 . 0 0 "[ . 1]" 2
1591 1 4 THR H 1 84 ASP QB . . 4.530 3.138 2.700 3.294 . 0 0 "[ . 1]" 2
1592 1 4 THR HA 1 5 VAL QG . . 3.990 3.720 3.646 3.834 . 0 0 "[ . 1]" 2
1593 1 4 THR HA 1 17 GLU QG . . 4.020 2.928 2.243 3.621 . 0 0 "[ . 1]" 2
1594 1 5 VAL H 1 5 VAL QG . . 3.300 2.683 2.567 2.772 . 0 0 "[ . 1]" 2
1595 1 5 VAL H 1 15 SER QB . . 5.340 4.352 3.897 4.939 . 0 0 "[ . 1]" 2
1596 1 5 VAL H 1 16 ILE QG . . 3.970 3.674 3.466 3.837 . 0 0 "[ . 1]" 2
1597 1 5 VAL H 1 17 GLU QB . . 5.340 4.888 4.584 5.056 . 0 0 "[ . 1]" 2
1598 1 5 VAL H 1 18 CYS QB . . 5.340 4.971 4.700 5.347 0.007 8 0 "[ . 1]" 2
1599 1 5 VAL HB 1 7 LEU QD . . 4.290 3.959 3.242 4.189 . 0 0 "[ . 1]" 2
1600 1 5 VAL HB 1 16 ILE QG . . 3.350 2.187 2.026 2.502 . 0 0 "[ . 1]" 2
1601 1 5 VAL QG 1 6 LYS H . . 3.680 2.895 2.717 3.027 . 0 0 "[ . 1]" 2
1602 1 5 VAL QG 1 6 LYS HB2 . . 5.440 4.659 4.518 4.787 . 0 0 "[ . 1]" 2
1603 1 5 VAL QG 1 7 LEU H . . 4.260 4.120 3.814 4.264 0.004 3 0 "[ . 1]" 2
1604 1 5 VAL QG 1 7 LEU HA . . 4.040 3.972 3.860 4.047 0.007 6 0 "[ . 1]" 2
1605 1 5 VAL QG 1 7 LEU HG . . 3.120 2.396 2.132 2.553 . 0 0 "[ . 1]" 2
1606 1 5 VAL QG 1 15 SER HA . . 5.090 4.632 4.464 4.861 . 0 0 "[ . 1]" 2
1607 1 5 VAL QG 1 16 ILE QG . . 3.580 2.751 2.630 2.899 . 0 0 "[ . 1]" 2
1608 1 5 VAL QG 1 16 ILE MD . . 3.830 3.014 2.658 3.406 . 0 0 "[ . 1]" 2
1609 1 5 VAL QG 1 17 GLU HA . . 4.400 3.177 2.897 3.417 . 0 0 "[ . 1]" 2
1610 1 5 VAL QG 1 18 CYS H . . 4.360 2.238 1.953 2.748 . 0 0 "[ . 1]" 2
1611 1 5 VAL QG 1 18 CYS HA . . 4.940 4.113 3.911 4.314 . 0 0 "[ . 1]" 2
1612 1 5 VAL QG 1 18 CYS QB . . 3.390 2.067 1.890 2.233 . 0 0 "[ . 1]" 2
1613 1 5 VAL QG 1 24 ILE HA . . 4.250 3.675 3.511 3.776 . 0 0 "[ . 1]" 2
1614 1 5 VAL QG 1 24 ILE HB . . 5.440 4.070 3.794 4.280 . 0 0 "[ . 1]" 2
1615 1 5 VAL QG 1 24 ILE MG . . 2.690 2.090 1.829 2.256 . 0 0 "[ . 1]" 2
1616 1 5 VAL QG 1 27 ALA MB . . 4.570 4.118 3.885 4.349 . 0 0 "[ . 1]" 2
1617 1 5 VAL QG 1 81 PRO HB2 . . 4.140 2.832 2.627 2.968 . 0 0 "[ . 1]" 2
1618 1 5 VAL QG 1 81 PRO QG . . 3.810 2.325 2.224 2.466 . 0 0 "[ . 1]" 2
1619 1 5 VAL QG 1 84 ASP HA . . 5.030 3.522 3.415 3.789 . 0 0 "[ . 1]" 2
1620 1 5 VAL QG 1 85 CYS H . . 4.000 3.231 3.147 3.380 . 0 0 "[ . 1]" 2
1621 1 5 VAL QG 1 86 THR HA . . 4.310 3.888 3.630 4.041 . 0 0 "[ . 1]" 2
1622 1 5 VAL QG 1 87 ILE H . . 3.890 3.078 2.924 3.223 . 0 0 "[ . 1]" 2
1623 1 5 VAL QG 1 87 ILE MG . . 4.500 4.252 4.097 4.404 . 0 0 "[ . 1]" 2
1624 1 5 VAL QG 1 87 ILE MD . . 2.690 1.780 1.768 1.805 . 0 0 "[ . 1]" 2
1625 1 6 LYS H 1 6 LYS QG . . 4.210 3.952 3.820 4.044 . 0 0 "[ . 1]" 2
1626 1 6 LYS HB2 1 6 LYS QD . . 3.610 2.048 1.979 2.241 . 0 0 "[ . 1]" 2
1627 1 6 LYS HB2 1 6 LYS QE . . 4.510 3.500 2.669 3.936 . 0 0 "[ . 1]" 2
1628 1 6 LYS QG 1 7 LEU H . . 4.000 3.150 2.796 3.388 . 0 0 "[ . 1]" 2
1629 1 6 LYS QG 1 8 ILE HA . . 5.150 4.354 3.949 4.663 . 0 0 "[ . 1]" 2
1630 1 6 LYS QG 1 8 ILE HG13 . . 5.190 4.585 4.288 4.873 . 0 0 "[ . 1]" 2
1631 1 6 LYS QG 1 8 ILE MD . . 3.320 2.173 1.957 2.333 . 0 0 "[ . 1]" 2
1632 1 6 LYS QG 1 13 GLU HB3 . . 4.320 3.850 3.625 4.018 . 0 0 "[ . 1]" 2
1633 1 6 LYS QG 1 86 THR HA . . 5.060 3.906 3.725 3.999 . 0 0 "[ . 1]" 2
1634 1 6 LYS QG 1 86 THR MG . . 2.970 2.600 2.260 2.874 . 0 0 "[ . 1]" 2
1635 1 6 LYS QD 1 86 THR HA . . 5.340 4.414 4.057 4.935 . 0 0 "[ . 1]" 2
1636 1 6 LYS QE 1 8 ILE MD . . 3.780 2.777 2.288 3.649 . 0 0 "[ . 1]" 2
1637 1 6 LYS QE 1 86 THR MG . . 3.940 2.858 2.015 3.512 . 0 0 "[ . 1]" 2
1638 1 7 LEU H 1 7 LEU QD . . 4.190 3.499 3.172 3.606 . 0 0 "[ . 1]" 2
1639 1 7 LEU H 1 14 SER QB . . 4.360 3.866 3.723 4.030 . 0 0 "[ . 1]" 2
1640 1 7 LEU HA 1 7 LEU QD . . 3.880 2.194 2.046 2.793 . 0 0 "[ . 1]" 2
1641 1 7 LEU HB2 1 7 LEU QD . . 2.820 2.243 1.932 2.338 . 0 0 "[ . 1]" 2
1642 1 7 LEU HB2 1 14 SER QB . . 3.340 3.055 2.819 3.327 . 0 0 "[ . 1]" 2
1643 1 7 LEU HB2 1 33 LEU QD . . 3.710 2.453 2.221 2.764 . 0 0 "[ . 1]" 2
1644 1 7 LEU HB3 1 14 SER QB . . 4.160 4.115 3.908 4.165 0.005 5 0 "[ . 1]" 2
1645 1 7 LEU HB3 1 33 LEU QD . . 4.000 2.904 2.689 3.366 . 0 0 "[ . 1]" 2
1646 1 7 LEU HB3 1 35 LEU QD . . 3.520 2.729 2.454 3.236 . 0 0 "[ . 1]" 2
1647 1 7 LEU QD 1 9 THR MG . . 3.920 3.582 3.365 3.707 . 0 0 "[ . 1]" 2
1648 1 7 LEU QD 1 15 SER HA . . 5.280 4.528 3.840 4.887 . 0 0 "[ . 1]" 2
1649 1 7 LEU QD 1 16 ILE H . . 4.560 3.630 2.834 4.091 . 0 0 "[ . 1]" 2
1650 1 7 LEU QD 1 16 ILE QG . . 3.680 2.028 1.918 2.193 . 0 0 "[ . 1]" 2
1651 1 7 LEU QD 1 28 ALA MB . . 3.590 2.096 1.739 2.395 . 0 0 "[ . 1]" 2
1652 1 7 LEU QD 1 33 LEU QD . . 3.320 2.224 1.731 2.644 . 0 0 "[ . 1]" 2
1653 1 7 LEU QD 1 35 LEU QD . . 3.390 1.684 1.571 1.919 . 0 0 "[ . 1]" 2
1654 1 8 ILE H 1 88 GLU QG . . 4.210 3.839 3.533 4.095 . 0 0 "[ . 1]" 2
1655 1 8 ILE HB 1 88 GLU QG . . 3.670 2.343 2.037 2.619 . 0 0 "[ . 1]" 2
1656 1 8 ILE MG 1 88 GLU QG . . 3.730 3.030 2.798 3.345 . 0 0 "[ . 1]" 2
1657 1 8 ILE HG12 1 88 GLU QG . . 3.990 2.823 2.456 3.106 . 0 0 "[ . 1]" 2
1658 1 8 ILE MD 1 88 GLU QG . . 4.050 3.760 3.585 3.916 . 0 0 "[ . 1]" 2
1659 1 9 THR H 1 10 PRO QD . . 5.200 4.321 4.316 4.326 . 0 0 "[ . 1]" 2
1660 1 9 THR HA 1 10 PRO QD . . 3.030 2.084 2.083 2.085 . 0 0 "[ . 1]" 2
1661 1 9 THR HB 1 10 PRO QD . . 2.980 1.930 1.923 1.934 . 0 0 "[ . 1]" 2
1662 1 9 THR HB 1 35 LEU QD . . 4.230 4.230 4.161 4.248 0.018 2 0 "[ . 1]" 2
1663 1 9 THR MG 1 10 PRO QD . . 4.410 3.316 3.289 3.342 . 0 0 "[ . 1]" 2
1664 1 9 THR MG 1 11 ASP QB . . 5.180 4.475 4.409 4.523 . 0 0 "[ . 1]" 2
1665 1 9 THR MG 1 14 SER QB . . 4.170 3.646 3.389 3.858 . 0 0 "[ . 1]" 2
1666 1 9 THR MG 1 33 LEU QD . . 3.840 2.870 2.631 3.597 . 0 0 "[ . 1]" 2
1667 1 10 PRO QB 1 11 ASP H . . 3.890 3.588 3.586 3.591 . 0 0 "[ . 1]" 2
1668 1 10 PRO QD 1 11 ASP H . . 3.800 2.781 2.779 2.784 . 0 0 "[ . 1]" 2
1669 1 10 PRO QD 1 35 LEU QD . . 5.280 4.976 4.932 5.034 . 0 0 "[ . 1]" 2
1670 1 10 PRO QD 1 90 HIS QB . . 4.140 2.865 2.696 3.141 . 0 0 "[ . 1]" 2
1671 1 10 PRO QD 1 90 HIS HD1 . . 4.560 3.330 3.184 3.544 . 0 0 "[ . 1]" 2
1672 1 10 PRO QD 1 90 HIS HE1 . . 3.730 3.292 3.218 3.349 . 0 0 "[ . 1]" 2
1673 1 11 ASP H 1 11 ASP QB . . 3.090 2.430 2.318 2.600 . 0 0 "[ . 1]" 2
1674 1 11 ASP QB 1 12 GLY H . . 4.070 3.662 3.640 3.674 . 0 0 "[ . 1]" 2
1675 1 12 GLY QA 1 13 GLU H . . 2.940 2.277 2.272 2.282 . 0 0 "[ . 1]" 2
1676 1 14 SER H 1 14 SER QB . . 3.340 2.546 2.311 2.886 . 0 0 "[ . 1]" 2
1677 1 14 SER QB 1 15 SER H . . 3.010 2.499 2.144 2.653 . 0 0 "[ . 1]" 2
1678 1 14 SER QB 1 16 ILE MG . . 3.770 3.157 2.950 3.491 . 0 0 "[ . 1]" 2
1679 1 14 SER QB 1 33 LEU QD . . 2.890 1.823 1.750 1.973 . 0 0 "[ . 1]" 2
1680 1 15 SER QB 1 16 ILE H . . 4.120 3.592 3.158 3.925 . 0 0 "[ . 1]" 2
1681 1 16 ILE H 1 16 ILE QG . . 3.020 2.120 2.042 2.284 . 0 0 "[ . 1]" 2
1682 1 16 ILE HB 1 33 LEU QD . . 4.380 4.044 3.756 4.255 . 0 0 "[ . 1]" 2
1683 1 16 ILE QG 1 16 ILE MG . . 3.320 2.240 2.151 2.329 . 0 0 "[ . 1]" 2
1684 1 16 ILE MG 1 33 LEU QD . . 2.700 1.830 1.740 2.104 . 0 0 "[ . 1]" 2
1685 1 16 ILE QG 1 24 ILE MG . . 4.220 3.262 2.802 3.532 . 0 0 "[ . 1]" 2
1686 1 16 ILE QG 1 28 ALA MB . . 5.340 3.605 3.298 3.748 . 0 0 "[ . 1]" 2
1687 1 16 ILE QG 1 33 LEU QD . . 4.290 3.162 2.359 3.534 . 0 0 "[ . 1]" 2
1688 1 17 GLU H 1 17 GLU QB . . 2.750 2.287 2.179 2.559 . 0 0 "[ . 1]" 2
1689 1 17 GLU QB 1 18 CYS H . . 4.160 3.596 3.380 3.739 . 0 0 "[ . 1]" 2
1690 1 17 GLU QG 1 18 CYS H . . 3.950 3.338 2.834 3.558 . 0 0 "[ . 1]" 2
1691 1 18 CYS H 1 18 CYS QB . . 3.250 2.515 2.457 2.620 . 0 0 "[ . 1]" 2
1692 1 18 CYS QB 1 19 SER H . . 4.230 3.346 2.550 3.733 . 0 0 "[ . 1]" 2
1693 1 18 CYS QB 1 24 ILE MG . . 4.160 3.379 3.053 3.844 . 0 0 "[ . 1]" 2
1694 1 19 SER H 1 19 SER QB . . 3.460 2.284 2.126 2.923 . 0 0 "[ . 1]" 2
1695 1 19 SER QB 1 20 ASP H . . 3.470 2.930 2.659 3.167 . 0 0 "[ . 1]" 2
1696 1 19 SER QB 1 21 ASP H . . 3.700 2.372 2.184 2.676 . 0 0 "[ . 1]" 2
1697 1 19 SER QB 1 22 THR H . . 5.150 3.608 3.143 3.845 . 0 0 "[ . 1]" 2
1698 1 19 SER QB 1 22 THR HB . . 3.660 3.291 2.900 3.546 . 0 0 "[ . 1]" 2
1699 1 20 ASP H 1 20 ASP QB . . 3.400 2.390 2.238 2.677 . 0 0 "[ . 1]" 2
1700 1 21 ASP H 1 21 ASP QB . . 3.640 2.452 2.281 2.971 . 0 0 "[ . 1]" 2
1701 1 21 ASP QB 1 80 TYR QD . . 5.340 5.092 4.970 5.217 . 0 0 "[ . 1]" 2
1702 1 22 THR MG 1 23 TYR QB . . 4.210 3.779 3.678 3.826 . 0 0 "[ . 1]" 2
1703 1 22 THR MG 1 26 ASP QB . . 3.710 2.710 2.487 2.970 . 0 0 "[ . 1]" 2
1704 1 23 TYR H 1 23 TYR QB . . 3.560 2.627 2.609 2.649 . 0 0 "[ . 1]" 2
1705 1 23 TYR H 1 26 ASP QB . . 4.000 3.065 2.622 3.393 . 0 0 "[ . 1]" 2
1706 1 23 TYR QB 1 24 ILE H . . 3.880 3.004 2.865 3.116 . 0 0 "[ . 1]" 2
1707 1 23 TYR QB 1 25 LEU H . . 3.690 2.881 2.733 3.075 . 0 0 "[ . 1]" 2
1708 1 23 TYR QB 1 26 ASP H . . 4.000 2.376 2.190 2.500 . 0 0 "[ . 1]" 2
1709 1 23 TYR QB 1 77 CYS HA . . 4.010 3.088 2.971 3.404 . 0 0 "[ . 1]" 2
1710 1 23 TYR QD 1 78 VAL QG . . 4.000 3.433 3.280 3.690 . 0 0 "[ . 1]" 2
1711 1 24 ILE MG 1 81 PRO QG . . 4.290 3.805 3.632 3.992 . 0 0 "[ . 1]" 2
1712 1 25 LEU H 1 35 LEU QD . . 5.440 4.912 4.733 5.123 . 0 0 "[ . 1]" 2
1713 1 25 LEU MD1 1 35 LEU QD . . 4.030 2.798 1.974 3.448 . 0 0 "[ . 1]" 2
1714 1 25 LEU MD1 1 47 CYS QB . . 3.400 3.068 2.692 3.410 0.010 10 0 "[ . 1]" 2
1715 1 25 LEU MD2 1 40 ARG QD . . 3.810 3.520 3.208 3.770 . 0 0 "[ . 1]" 2
1716 1 25 LEU MD2 1 47 CYS QB . . 4.000 3.117 2.747 3.498 . 0 0 "[ . 1]" 2
1717 1 26 ASP H 1 26 ASP QB . . 3.030 2.118 2.049 2.212 . 0 0 "[ . 1]" 2
1718 1 26 ASP QB 1 27 ALA H . . 3.240 2.530 2.112 2.773 . 0 0 "[ . 1]" 2
1719 1 26 ASP QB 1 27 ALA MB . . 4.360 3.675 3.497 3.816 . 0 0 "[ . 1]" 2
1720 1 26 ASP QB 1 28 ALA H . . 4.910 4.393 4.217 4.527 . 0 0 "[ . 1]" 2
1721 1 26 ASP QB 1 30 GLU HB2 . . 5.340 4.693 4.401 4.918 . 0 0 "[ . 1]" 2
1722 1 26 ASP QB 1 30 GLU HB3 . . 5.340 5.171 4.982 5.307 . 0 0 "[ . 1]" 2
1723 1 28 ALA H 1 29 GLU QB . . 5.340 4.902 4.738 5.115 . 0 0 "[ . 1]" 2
1724 1 28 ALA HA 1 33 LEU QD . . 3.490 2.873 2.507 3.285 . 0 0 "[ . 1]" 2
1725 1 28 ALA MB 1 33 LEU QD . . 3.830 2.845 1.931 3.365 . 0 0 "[ . 1]" 2
1726 1 28 ALA MB 1 35 LEU QD . . 3.600 2.287 2.130 2.553 . 0 0 "[ . 1]" 2
1727 1 29 GLU H 1 29 GLU QB . . 3.030 2.505 2.416 2.627 . 0 0 "[ . 1]" 2
1728 1 29 GLU H 1 33 LEU QD . . 5.440 5.028 4.696 5.358 . 0 0 "[ . 1]" 2
1729 1 29 GLU QB 1 30 GLU H . . 3.850 3.449 3.335 3.556 . 0 0 "[ . 1]" 2
1730 1 29 GLU QB 1 32 GLY H . . 5.300 4.710 4.449 4.827 . 0 0 "[ . 1]" 2
1731 1 30 GLU H 1 30 GLU QG . . 4.660 3.980 3.947 4.056 . 0 0 "[ . 1]" 2
1732 1 30 GLU HA 1 30 GLU QG . . 3.320 2.534 2.334 3.063 . 0 0 "[ . 1]" 2
1733 1 30 GLU QG 1 31 ALA H . . 5.340 3.827 3.503 4.144 . 0 0 "[ . 1]" 2
1734 1 30 GLU QG 1 31 ALA HA . . 4.180 3.838 3.490 4.100 . 0 0 "[ . 1]" 2
1735 1 31 ALA H 1 32 GLY QA . . 5.200 4.288 4.150 4.385 . 0 0 "[ . 1]" 2
1736 1 31 ALA HA 1 32 GLY QA . . 4.980 4.220 4.213 4.226 . 0 0 "[ . 1]" 2
1737 1 31 ALA MB 1 32 GLY QA . . 4.150 3.771 3.624 3.904 . 0 0 "[ . 1]" 2
1738 1 32 GLY H 1 33 LEU QD . . 5.440 3.817 3.276 5.041 . 0 0 "[ . 1]" 2
1739 1 32 GLY QA 1 33 LEU HA . . 5.300 4.101 4.053 4.186 . 0 0 "[ . 1]" 2
1740 1 33 LEU HA 1 33 LEU QD . . 2.950 2.000 1.917 2.139 . 0 0 "[ . 1]" 2
1741 1 33 LEU HA 1 35 LEU QD . . 4.370 3.696 3.306 4.159 . 0 0 "[ . 1]" 2
1742 1 33 LEU HB2 1 35 LEU QD . . 3.690 3.100 2.803 3.401 . 0 0 "[ . 1]" 2
1743 1 33 LEU HB3 1 35 LEU QD . . 3.470 1.949 1.874 2.113 . 0 0 "[ . 1]" 2
1744 1 33 LEU QD 1 34 ASP H . . 4.080 3.800 3.235 4.099 0.019 10 0 "[ . 1]" 2
1745 1 33 LEU QD 1 35 LEU QD . . 3.300 2.328 2.042 2.996 . 0 0 "[ . 1]" 2
1746 1 34 ASP H 1 34 ASP QB . . 3.510 2.895 2.331 3.419 . 0 0 "[ . 1]" 2
1747 1 34 ASP H 1 35 LEU QD . . 4.210 3.601 3.387 3.747 . 0 0 "[ . 1]" 2
1748 1 34 ASP HA 1 35 LEU QD . . 4.470 4.122 4.025 4.267 . 0 0 "[ . 1]" 2
1749 1 34 ASP QB 1 35 LEU QD . . 5.130 4.234 3.974 4.409 . 0 0 "[ . 1]" 2
1750 1 35 LEU H 1 35 LEU QB . . 3.130 2.165 2.082 2.287 . 0 0 "[ . 1]" 2
1751 1 35 LEU H 1 35 LEU QD . . 3.510 2.399 1.948 2.969 . 0 0 "[ . 1]" 2
1752 1 35 LEU HA 1 35 LEU QD . . 3.150 2.155 1.993 2.274 . 0 0 "[ . 1]" 2
1753 1 35 LEU QB 1 35 LEU QD . . 2.570 1.960 1.931 1.984 . 0 0 "[ . 1]" 2
1754 1 35 LEU QB 1 36 PRO QG . . 4.590 3.534 3.462 3.594 . 0 0 "[ . 1]" 2
1755 1 35 LEU QB 1 36 PRO HD2 . . 3.830 2.110 1.986 2.207 . 0 0 "[ . 1]" 2
1756 1 35 LEU QB 1 36 PRO HD3 . . 3.540 3.440 3.354 3.509 . 0 0 "[ . 1]" 2
1757 1 35 LEU QB 1 37 TYR QD . . 5.340 3.200 2.028 3.983 . 0 0 "[ . 1]" 2
1758 1 35 LEU QB 1 90 HIS HE1 . . 5.300 5.199 5.042 5.304 0.004 4 0 "[ . 1]" 2
1759 1 35 LEU HG 1 36 PRO QG . . 4.570 3.927 3.758 4.195 . 0 0 "[ . 1]" 2
1760 1 35 LEU QD 1 36 PRO HD2 . . 3.400 3.052 2.959 3.188 . 0 0 "[ . 1]" 2
1761 1 35 LEU QD 1 36 PRO HD3 . . 3.860 3.501 3.423 3.573 . 0 0 "[ . 1]" 2
1762 1 35 LEU QD 1 76 THR HB . . 4.660 3.403 3.110 3.677 . 0 0 "[ . 1]" 2
1763 1 35 LEU QD 1 76 THR MG . . 3.890 2.830 2.468 3.285 . 0 0 "[ . 1]" 2
1764 1 35 LEU QD 1 89 THR HA . . 4.670 4.262 4.006 4.553 . 0 0 "[ . 1]" 2
1765 1 35 LEU QD 1 89 THR HB . . 3.690 3.303 3.105 3.506 . 0 0 "[ . 1]" 2
1766 1 35 LEU QD 1 89 THR MG . . 2.750 1.944 1.775 2.140 . 0 0 "[ . 1]" 2
1767 1 35 LEU QD 1 90 HIS HD1 . . 5.390 4.254 4.104 4.365 . 0 0 "[ . 1]" 2
1768 1 35 LEU QD 1 90 HIS HE1 . . 4.340 3.780 3.603 3.997 . 0 0 "[ . 1]" 2
1769 1 36 PRO QB 1 37 TYR H . . 3.920 3.778 3.316 3.922 0.002 2 0 "[ . 1]" 2
1770 1 36 PRO QB 1 90 HIS HD1 . . 5.340 4.529 4.299 4.728 . 0 0 "[ . 1]" 2
1771 1 36 PRO QG 1 47 CYS HA . . 4.510 2.787 2.402 3.586 . 0 0 "[ . 1]" 2
1772 1 36 PRO QG 1 90 HIS HA . . 3.750 2.715 2.472 2.926 . 0 0 "[ . 1]" 2
1773 1 36 PRO QG 1 90 HIS HD1 . . 3.520 2.908 2.723 3.061 . 0 0 "[ . 1]" 2
1774 1 36 PRO QG 1 90 HIS HE1 . . 5.350 3.682 3.432 3.833 . 0 0 "[ . 1]" 2
1775 1 37 TYR HA 1 47 CYS QB . . 3.910 2.611 1.976 4.002 0.092 1 0 "[ . 1]" 2
1776 1 37 TYR QD 1 40 ARG QG . . 4.000 3.059 2.953 3.190 . 0 0 "[ . 1]" 2
1777 1 37 TYR QD 1 40 ARG QD . . 4.120 3.425 3.130 3.640 . 0 0 "[ . 1]" 2
1778 1 37 TYR QD 1 47 CYS QB . . 5.340 4.718 4.332 5.390 0.050 5 0 "[ . 1]" 2
1779 1 37 TYR QE 1 40 ARG QG . . 4.350 3.352 3.155 3.591 . 0 0 "[ . 1]" 2
1780 1 37 TYR QE 1 40 ARG QD . . 3.700 2.418 2.261 2.753 . 0 0 "[ . 1]" 2
1781 1 38 SER H 1 38 SER QB . . 3.530 2.655 2.517 2.713 . 0 0 "[ . 1]" 2
1782 1 38 SER H 1 39 CYS QB . . 5.340 4.362 4.280 4.600 . 0 0 "[ . 1]" 2
1783 1 38 SER H 1 40 ARG QG . . 5.270 4.776 4.608 4.887 . 0 0 "[ . 1]" 2
1784 1 38 SER QB 1 39 CYS H . . 3.290 2.533 2.183 2.696 . 0 0 "[ . 1]" 2
1785 1 38 SER QB 1 46 THR HB . . 4.580 4.032 3.679 4.218 . 0 0 "[ . 1]" 2
1786 1 38 SER QB 1 46 THR MG . . 3.430 2.248 2.054 2.361 . 0 0 "[ . 1]" 2
1787 1 39 CYS H 1 39 CYS QB . . 3.130 2.554 2.446 2.602 . 0 0 "[ . 1]" 2
1788 1 39 CYS H 1 40 ARG QG . . 5.050 4.444 4.334 4.592 . 0 0 "[ . 1]" 2
1789 1 39 CYS HA 1 40 ARG QG . . 3.840 3.580 3.498 3.629 . 0 0 "[ . 1]" 2
1790 1 39 CYS QB 1 41 ALA H . . 4.430 3.374 3.301 3.715 . 0 0 "[ . 1]" 2
1791 1 39 CYS QB 1 41 ALA MB . . 3.710 3.059 2.860 3.142 . 0 0 "[ . 1]" 2
1792 1 39 CYS QB 1 43 ALA MB . . 4.970 3.056 2.799 3.761 . 0 0 "[ . 1]" 2
1793 1 40 ARG H 1 40 ARG QG . . 3.650 3.285 3.185 3.322 . 0 0 "[ . 1]" 2
1794 1 40 ARG HA 1 40 ARG QG . . 3.550 3.343 3.342 3.344 . 0 0 "[ . 1]" 2
1795 1 40 ARG HB3 1 40 ARG QD . . 3.910 2.577 2.349 2.635 . 0 0 "[ . 1]" 2
1796 1 41 ALA H 1 42 GLY QA . . 4.320 3.664 3.647 3.709 . 0 0 "[ . 1]" 2
1797 1 41 ALA H 1 78 VAL QG . . 5.210 3.842 3.789 3.982 . 0 0 "[ . 1]" 2
1798 1 41 ALA HA 1 78 VAL QG . . 4.010 3.624 3.544 3.752 . 0 0 "[ . 1]" 2
1799 1 41 ALA MB 1 42 GLY QA . . 4.740 3.723 3.708 3.738 . 0 0 "[ . 1]" 2
1800 1 41 ALA MB 1 78 VAL QG . . 4.870 4.013 4.003 4.039 . 0 0 "[ . 1]" 2
1801 1 42 GLY H 1 75 LEU QD . . 4.480 4.565 4.510 4.606 0.126 10 0 "[ . 1]" 2
1802 1 42 GLY H 1 78 VAL QG . . 3.550 3.335 3.278 3.392 . 0 0 "[ . 1]" 2
1803 1 42 GLY QA 1 43 ALA MB . . 4.400 3.761 3.689 3.796 . 0 0 "[ . 1]" 2
1804 1 42 GLY QA 1 44 CYS H . . 4.550 3.744 3.696 3.857 . 0 0 "[ . 1]" 2
1805 1 42 GLY QA 1 61 GLN H . . 5.340 5.029 4.742 5.251 . 0 0 "[ . 1]" 2
1806 1 42 GLY QA 1 61 GLN HA . . 3.230 3.150 3.030 3.240 0.010 10 0 "[ . 1]" 2
1807 1 42 GLY QA 1 62 SER H . . 4.330 4.294 4.173 4.378 0.048 10 0 "[ . 1]" 2
1808 1 42 GLY QA 1 75 LEU QD . . 3.460 2.821 2.750 2.901 . 0 0 "[ . 1]" 2
1809 1 42 GLY QA 1 78 VAL QG . . 2.950 1.815 1.670 1.912 . 0 0 "[ . 1]" 2
1810 1 43 ALA H 1 75 LEU QD . . 4.850 3.231 3.177 3.323 . 0 0 "[ . 1]" 2
1811 1 43 ALA MB 1 44 CYS QB . . 4.150 3.853 3.794 3.904 . 0 0 "[ . 1]" 2
1812 1 44 CYS H 1 44 CYS QB . . 3.560 3.043 2.993 3.121 . 0 0 "[ . 1]" 2
1813 1 44 CYS H 1 75 LEU QD . . 3.660 2.621 2.370 2.732 . 0 0 "[ . 1]" 2
1814 1 44 CYS QB 1 45 SER H . . 4.050 2.279 2.023 2.389 . 0 0 "[ . 1]" 2
1815 1 44 CYS QB 1 47 CYS H . . 5.340 4.351 4.144 4.470 . 0 0 "[ . 1]" 2
1816 1 44 CYS QB 1 63 PHE QD . . 5.340 4.621 4.079 5.263 . 0 0 "[ . 1]" 2
1817 1 45 SER H 1 75 LEU QD . . 5.440 3.952 3.816 4.076 . 0 0 "[ . 1]" 2
1818 1 45 SER HA 1 75 LEU QD . . 3.590 2.080 1.911 2.337 . 0 0 "[ . 1]" 2
1819 1 45 SER HA 1 95 LEU QD . . 4.260 3.734 3.253 4.171 . 0 0 "[ . 1]" 2
1820 1 45 SER QB 1 48 ALA MB . . 4.150 3.331 2.867 4.014 . 0 0 "[ . 1]" 2
1821 1 45 SER QB 1 63 PHE QD . . 4.520 3.094 2.887 3.431 . 0 0 "[ . 1]" 2
1822 1 45 SER QB 1 63 PHE QE . . 4.140 2.682 2.359 2.867 . 0 0 "[ . 1]" 2
1823 1 45 SER QB 1 63 PHE HZ . . 4.660 2.961 2.759 3.232 . 0 0 "[ . 1]" 2
1824 1 45 SER QB 1 75 LEU QD . . 4.200 3.302 2.998 3.708 . 0 0 "[ . 1]" 2
1825 1 45 SER QB 1 95 LEU QD . . 3.600 2.134 1.811 2.690 . 0 0 "[ . 1]" 2
1826 1 45 SER QB 1 96 TYR QE . . 4.810 3.256 2.147 4.172 . 0 0 "[ . 1]" 2
1827 1 46 THR H 1 92 GLU QB . . 5.340 4.166 3.980 4.364 . 0 0 "[ . 1]" 2
1828 1 46 THR HA 1 92 GLU QG . . 3.650 2.313 2.065 2.555 . 0 0 "[ . 1]" 2
1829 1 46 THR HB 1 92 GLU QB . . 4.600 4.204 3.860 4.611 0.011 8 0 "[ . 1]" 2
1830 1 46 THR HB 1 92 GLU QG . . 4.430 3.876 3.304 4.434 0.004 2 0 "[ . 1]" 2
1831 1 46 THR MG 1 92 GLU QG . . 5.060 4.461 4.235 4.764 . 0 0 "[ . 1]" 2
1832 1 47 CYS H 1 47 CYS QB . . 3.490 2.697 2.482 2.820 . 0 0 "[ . 1]" 2
1833 1 47 CYS H 1 75 LEU QD . . 5.440 3.370 2.993 3.622 . 0 0 "[ . 1]" 2
1834 1 47 CYS QB 1 76 THR H . . 4.450 3.276 2.662 3.602 . 0 0 "[ . 1]" 2
1835 1 47 CYS QB 1 77 CYS H . . 4.790 3.151 2.075 3.660 . 0 0 "[ . 1]" 2
1836 1 48 ALA H 1 75 LEU QD . . 4.030 2.750 2.512 2.831 . 0 0 "[ . 1]" 2
1837 1 48 ALA H 1 92 GLU QB . . 5.160 3.957 3.620 4.499 . 0 0 "[ . 1]" 2
1838 1 48 ALA H 1 92 GLU QG . . 5.340 5.240 4.870 5.418 0.078 10 0 "[ . 1]" 2
1839 1 48 ALA HA 1 75 LEU QD . . 3.510 2.347 2.243 2.462 . 0 0 "[ . 1]" 2
1840 1 48 ALA MB 1 75 LEU QD . . 3.180 1.943 1.867 2.038 . 0 0 "[ . 1]" 2
1841 1 48 ALA MB 1 92 GLU QB . . 4.070 3.618 3.237 4.086 0.016 9 0 "[ . 1]" 2
1842 1 49 GLY H 1 75 LEU QD . . 4.320 4.110 4.004 4.279 . 0 0 "[ . 1]" 2
1843 1 49 GLY HA2 1 91 LYS QB . . 3.820 2.357 2.065 2.796 . 0 0 "[ . 1]" 2
1844 1 49 GLY HA2 1 91 LYS QG . . 5.040 3.520 3.133 4.015 . 0 0 "[ . 1]" 2
1845 1 49 GLY HA3 1 91 LYS QB . . 5.340 3.995 3.695 4.400 . 0 0 "[ . 1]" 2
1846 1 50 LYS H 1 91 LYS QB . . 3.440 2.337 1.914 2.529 . 0 0 "[ . 1]" 2
1847 1 50 LYS H 1 91 LYS QG . . 4.110 2.280 1.932 2.838 . 0 0 "[ . 1]" 2
1848 1 50 LYS HA 1 91 LYS QG . . 5.040 4.266 3.885 4.593 . 0 0 "[ . 1]" 2
1849 1 50 LYS HB2 1 50 LYS QE . . 4.830 3.716 3.287 4.148 . 0 0 "[ . 1]" 2
1850 1 50 LYS HB2 1 91 LYS QB . . 3.670 2.801 2.395 3.008 . 0 0 "[ . 1]" 2
1851 1 50 LYS HB3 1 50 LYS QE . . 3.970 3.211 2.709 3.839 . 0 0 "[ . 1]" 2
1852 1 50 LYS HB3 1 91 LYS QE . . 4.560 2.891 2.096 3.682 . 0 0 "[ . 1]" 2
1853 1 50 LYS QE 1 50 LYS HG2 . . 3.710 2.146 2.047 2.470 . 0 0 "[ . 1]" 2
1854 1 50 LYS HG3 1 91 LYS QE . . 5.340 4.637 4.311 5.058 . 0 0 "[ . 1]" 2
1855 1 50 LYS HD3 1 91 LYS QE . . 3.660 2.259 1.972 2.696 . 0 0 "[ . 1]" 2
1856 1 50 LYS QE 1 52 THR MG . . 4.390 4.011 3.822 4.249 . 0 0 "[ . 1]" 2
1857 1 50 LYS QE 1 73 TYR QE . . 4.710 4.451 4.083 4.711 0.001 3 0 "[ . 1]" 2
1858 1 51 ILE H 1 51 ILE QG . . 4.640 4.007 3.975 4.039 . 0 0 "[ . 1]" 2
1859 1 51 ILE HA 1 51 ILE QG . . 3.380 2.379 2.372 2.385 . 0 0 "[ . 1]" 2
1860 1 51 ILE HA 1 87 ILE QG . . 4.250 4.123 3.991 4.222 . 0 0 "[ . 1]" 2
1861 1 51 ILE HB 1 87 ILE QG . . 4.050 3.368 3.075 3.666 . 0 0 "[ . 1]" 2
1862 1 51 ILE QG 1 51 ILE MG . . 3.150 2.288 2.285 2.291 . 0 0 "[ . 1]" 2
1863 1 51 ILE MG 1 54 GLY QA . . 4.910 4.202 3.989 4.810 . 0 0 "[ . 1]" 2
1864 1 51 ILE MG 1 55 SER QB . . 5.340 4.901 4.701 5.097 . 0 0 "[ . 1]" 2
1865 1 51 ILE MG 1 85 CYS QB . . 4.550 3.946 3.736 4.262 . 0 0 "[ . 1]" 2
1866 1 51 ILE QG 1 52 THR H . . 4.350 3.516 3.503 3.522 . 0 0 "[ . 1]" 2
1867 1 51 ILE QG 1 55 SER H . . 4.080 4.099 4.088 4.121 0.041 3 0 "[ . 1]" 2
1868 1 51 ILE QG 1 74 VAL MG1 . . 4.610 3.769 3.565 3.990 . 0 0 "[ . 1]" 2
1869 1 51 ILE QG 1 85 CYS HA . . 5.320 4.541 4.336 4.803 . 0 0 "[ . 1]" 2
1870 1 51 ILE QG 1 85 CYS QB . . 3.520 2.512 2.270 2.823 . 0 0 "[ . 1]" 2
1871 1 51 ILE QG 1 87 ILE MG . . 4.860 3.277 3.024 3.366 . 0 0 "[ . 1]" 2
1872 1 51 ILE QG 1 87 ILE QG . . 3.740 1.931 1.888 2.000 . 0 0 "[ . 1]" 2
1873 1 51 ILE QG 1 88 GLU H . . 4.820 3.802 3.742 3.906 . 0 0 "[ . 1]" 2
1874 1 53 ALA H 1 85 CYS QB . . 5.340 4.896 4.367 5.069 . 0 0 "[ . 1]" 2
1875 1 54 GLY H 1 85 CYS QB . . 5.070 4.400 4.200 4.454 . 0 0 "[ . 1]" 2
1876 1 54 GLY QA 1 85 CYS HA . . 3.410 2.233 1.979 2.382 . 0 0 "[ . 1]" 2
1877 1 54 GLY QA 1 85 CYS QB . . 4.050 2.033 1.917 2.435 . 0 0 "[ . 1]" 2
1878 1 54 GLY QA 1 86 THR H . . 4.190 3.417 3.337 3.500 . 0 0 "[ . 1]" 2
1879 1 55 SER H 1 85 CYS QB . . 3.670 1.961 1.908 2.024 . 0 0 "[ . 1]" 2
1880 1 55 SER HA 1 56 VAL QG . . 3.450 3.179 3.099 3.347 . 0 0 "[ . 1]" 2
1881 1 55 SER QB 1 56 VAL H . . 3.310 2.977 2.650 3.378 0.068 9 0 "[ . 1]" 2
1882 1 55 SER QB 1 56 VAL QG . . 4.400 3.970 3.829 4.130 . 0 0 "[ . 1]" 2
1883 1 56 VAL H 1 56 VAL QG . . 3.410 2.170 2.025 2.244 . 0 0 "[ . 1]" 2
1884 1 56 VAL HA 1 56 VAL QG . . 2.960 2.241 2.175 2.284 . 0 0 "[ . 1]" 2
1885 1 56 VAL HB 1 58 GLN QE . . 5.340 5.353 5.344 5.385 0.045 10 0 "[ . 1]" 2
1886 1 56 VAL QG 1 57 ASP H . . 3.550 3.075 3.000 3.356 . 0 0 "[ . 1]" 2
1887 1 56 VAL QG 1 57 ASP HA . . 4.610 3.784 3.607 4.043 . 0 0 "[ . 1]" 2
1888 1 56 VAL QG 1 58 GLN H . . 4.700 3.895 3.626 4.236 . 0 0 "[ . 1]" 2
1889 1 56 VAL QG 1 58 GLN HB2 . . 4.930 4.944 4.933 4.966 0.036 10 0 "[ . 1]" 2
1890 1 56 VAL QG 1 58 GLN HB3 . . 3.880 3.729 3.682 3.767 . 0 0 "[ . 1]" 2
1891 1 56 VAL QG 1 58 GLN HG2 . . 3.810 2.748 2.667 2.912 . 0 0 "[ . 1]" 2
1892 1 56 VAL QG 1 58 GLN HG3 . . 4.610 4.162 3.990 4.388 . 0 0 "[ . 1]" 2
1893 1 56 VAL QG 1 58 GLN QE . . 4.420 3.173 3.031 3.533 . 0 0 "[ . 1]" 2
1894 1 56 VAL QG 1 74 VAL HA . . 4.280 4.033 3.874 4.247 . 0 0 "[ . 1]" 2
1895 1 56 VAL QG 1 74 VAL HB . . 3.400 2.282 2.133 2.467 . 0 0 "[ . 1]" 2
1896 1 56 VAL QG 1 74 VAL MG1 . . 2.710 1.886 1.844 1.955 . 0 0 "[ . 1]" 2
1897 1 56 VAL QG 1 74 VAL MG2 . . 3.450 2.299 2.057 2.433 . 0 0 "[ . 1]" 2
1898 1 56 VAL QG 1 75 LEU H . . 5.380 4.702 4.559 4.956 . 0 0 "[ . 1]" 2
1899 1 56 VAL QG 1 76 THR HA . . 4.860 4.779 4.635 4.877 0.017 6 0 "[ . 1]" 2
1900 1 56 VAL QG 1 79 ALA H . . 5.440 5.125 5.040 5.329 . 0 0 "[ . 1]" 2
1901 1 56 VAL QG 1 80 TYR H . . 5.170 3.618 3.479 3.770 . 0 0 "[ . 1]" 2
1902 1 56 VAL QG 1 82 THR H . . 5.140 3.892 3.777 4.001 . 0 0 "[ . 1]" 2
1903 1 57 ASP H 1 57 ASP QB . . 3.240 2.462 2.263 2.531 . 0 0 "[ . 1]" 2
1904 1 57 ASP H 1 80 TYR QB . . 4.050 2.709 2.369 2.859 . 0 0 "[ . 1]" 2
1905 1 57 ASP QB 1 58 GLN H . . 4.180 3.696 3.623 3.735 . 0 0 "[ . 1]" 2
1906 1 57 ASP QB 1 80 TYR H . . 4.420 3.188 3.020 3.411 . 0 0 "[ . 1]" 2
1907 1 57 ASP QB 1 80 TYR QB . . 3.670 1.932 1.910 1.972 . 0 0 "[ . 1]" 2
1908 1 57 ASP QB 1 80 TYR QD . . 4.540 2.050 2.036 2.061 . 0 0 "[ . 1]" 2
1909 1 57 ASP QB 1 80 TYR QE . . 4.110 4.156 4.144 4.163 0.053 4 0 "[ . 1]" 2
1910 1 58 GLN H 1 58 GLN QE . . 4.820 4.507 4.321 4.755 . 0 0 "[ . 1]" 2
1911 1 58 GLN HA 1 78 VAL QG . . 4.030 3.855 3.675 4.042 0.012 1 0 "[ . 1]" 2
1912 1 58 GLN HB2 1 61 GLN QG . . 4.190 2.543 2.198 2.904 . 0 0 "[ . 1]" 2
1913 1 58 GLN HB2 1 78 VAL QG . . 3.870 3.144 2.943 3.566 . 0 0 "[ . 1]" 2
1914 1 58 GLN HB3 1 58 GLN QE . . 4.450 3.365 2.589 3.780 . 0 0 "[ . 1]" 2
1915 1 58 GLN HB3 1 78 VAL QG . . 4.030 3.333 3.178 3.751 . 0 0 "[ . 1]" 2
1916 1 58 GLN HG3 1 61 GLN QG . . 4.790 3.600 3.143 3.886 . 0 0 "[ . 1]" 2
1917 1 58 GLN QE 1 61 GLN QG . . 4.960 3.941 3.308 4.391 . 0 0 "[ . 1]" 2
1918 1 58 GLN QE 1 64 LEU MD1 . . 3.380 2.109 1.866 2.332 . 0 0 "[ . 1]" 2
1919 1 58 GLN QE 1 69 ILE HA . . 4.620 3.215 2.810 4.250 . 0 0 "[ . 1]" 2
1920 1 58 GLN QE 1 69 ILE MG . . 3.630 2.715 2.167 3.598 . 0 0 "[ . 1]" 2
1921 1 58 GLN QE 1 69 ILE QG . . 4.030 2.291 2.124 2.933 . 0 0 "[ . 1]" 2
1922 1 58 GLN QE 1 69 ILE MD . . 5.080 3.598 2.993 3.873 . 0 0 "[ . 1]" 2
1923 1 58 GLN QE 1 74 VAL HA . . 3.170 1.979 1.899 2.046 . 0 0 "[ . 1]" 2
1924 1 58 GLN QE 1 74 VAL HB . . 4.020 2.704 2.251 3.075 . 0 0 "[ . 1]" 2
1925 1 58 GLN QE 1 74 VAL MG1 . . 3.920 2.040 1.880 2.888 . 0 0 "[ . 1]" 2
1926 1 58 GLN QE 1 74 VAL MG2 . . 4.800 3.926 3.686 4.070 . 0 0 "[ . 1]" 2
1927 1 58 GLN QE 1 75 LEU H . . 3.820 2.819 1.836 3.068 . 0 0 "[ . 1]" 2
1928 1 58 GLN QE 1 75 LEU QD . . 4.500 4.327 3.604 4.566 0.066 10 0 "[ . 1]" 2
1929 1 58 GLN QE 1 78 VAL QG . . 5.270 4.795 3.808 5.173 . 0 0 "[ . 1]" 2
1930 1 59 SER H 1 59 SER QB . . 3.250 2.348 2.184 2.965 . 0 0 "[ . 1]" 2
1931 1 59 SER QB 1 61 GLN H . . 5.340 5.040 4.805 5.343 0.003 6 0 "[ . 1]" 2
1932 1 60 ASP H 1 60 ASP QB . . 3.080 2.353 2.208 2.417 . 0 0 "[ . 1]" 2
1933 1 60 ASP H 1 78 VAL QG . . 4.400 3.961 3.800 4.130 . 0 0 "[ . 1]" 2
1934 1 60 ASP QB 1 78 VAL HB . . 3.310 2.899 2.790 3.127 . 0 0 "[ . 1]" 2
1935 1 60 ASP QB 1 78 VAL QG . . 3.290 2.691 2.484 2.914 . 0 0 "[ . 1]" 2
1936 1 61 GLN H 1 61 GLN QB . . 3.580 2.465 2.312 2.552 . 0 0 "[ . 1]" 2
1937 1 61 GLN H 1 61 GLN QG . . 4.060 2.132 1.935 2.483 . 0 0 "[ . 1]" 2
1938 1 61 GLN H 1 61 GLN QE . . 5.340 4.718 4.574 4.941 . 0 0 "[ . 1]" 2
1939 1 61 GLN H 1 75 LEU QD . . 4.960 4.425 4.284 4.622 . 0 0 "[ . 1]" 2
1940 1 61 GLN H 1 78 VAL QG . . 3.850 3.171 2.977 3.297 . 0 0 "[ . 1]" 2
1941 1 61 GLN HA 1 61 GLN QE . . 5.340 4.300 4.076 5.107 . 0 0 "[ . 1]" 2
1942 1 61 GLN HA 1 75 LEU QD . . 3.590 2.983 2.860 3.230 . 0 0 "[ . 1]" 2
1943 1 61 GLN HA 1 78 VAL QG . . 3.000 2.360 2.184 2.549 . 0 0 "[ . 1]" 2
1944 1 61 GLN QB 1 62 SER H . . 4.010 2.282 2.046 2.463 . 0 0 "[ . 1]" 2
1945 1 61 GLN QB 1 63 PHE H . . 4.680 2.994 2.591 3.564 . 0 0 "[ . 1]" 2
1946 1 61 GLN QB 1 64 LEU MD1 . . 4.140 3.623 3.362 4.013 . 0 0 "[ . 1]" 2
1947 1 61 GLN QB 1 75 LEU QD . . 3.410 1.912 1.832 2.036 . 0 0 "[ . 1]" 2
1948 1 61 GLN QB 1 78 VAL QG . . 3.750 2.171 1.851 2.444 . 0 0 "[ . 1]" 2
1949 1 61 GLN QG 1 64 LEU HG . . 5.340 4.205 3.655 4.781 . 0 0 "[ . 1]" 2
1950 1 61 GLN QG 1 64 LEU MD1 . . 3.890 3.345 3.094 3.727 . 0 0 "[ . 1]" 2
1951 1 61 GLN QG 1 69 ILE MD . . 4.530 3.197 2.517 4.124 . 0 0 "[ . 1]" 2
1952 1 61 GLN QG 1 75 LEU HG . . 5.340 4.369 3.605 4.722 . 0 0 "[ . 1]" 2
1953 1 61 GLN QG 1 78 VAL QG . . 4.700 3.618 3.298 3.894 . 0 0 "[ . 1]" 2
1954 1 61 GLN QE 1 63 PHE H . . 5.150 2.805 2.104 4.546 . 0 0 "[ . 1]" 2
1955 1 61 GLN QE 1 63 PHE HA . . 5.340 4.352 3.989 5.379 0.039 6 0 "[ . 1]" 2
1956 1 61 GLN QE 1 64 LEU H . . 3.480 2.167 1.867 3.268 . 0 0 "[ . 1]" 2
1957 1 61 GLN QE 1 64 LEU HA . . 4.830 3.702 3.544 3.955 . 0 0 "[ . 1]" 2
1958 1 61 GLN QE 1 64 LEU HB2 . . 4.170 2.205 1.921 2.500 . 0 0 "[ . 1]" 2
1959 1 61 GLN QE 1 64 LEU HB3 . . 3.950 3.635 3.454 3.895 . 0 0 "[ . 1]" 2
1960 1 61 GLN QE 1 64 LEU MD2 . . 4.450 3.983 3.759 4.461 0.011 6 0 "[ . 1]" 2
1961 1 61 GLN QE 1 65 ASP H . . 5.340 4.155 3.784 4.473 . 0 0 "[ . 1]" 2
1962 1 61 GLN QE 1 65 ASP HA . . 5.340 3.728 3.265 4.155 . 0 0 "[ . 1]" 2
1963 1 61 GLN QE 1 69 ILE MD . . 3.700 3.263 2.616 3.634 . 0 0 "[ . 1]" 2
1964 1 61 GLN QE 1 75 LEU QD . . 4.340 3.274 2.974 4.371 0.031 6 0 "[ . 1]" 2
1965 1 61 GLN HE22 1 75 LEU MD2 . . 6.720 6.315 5.975 6.574 . 0 0 "[ . 1]" 2
1966 1 62 SER H 1 75 LEU QD . . 4.270 3.004 2.806 3.188 . 0 0 "[ . 1]" 2
1967 1 62 SER H 1 78 VAL QG . . 4.780 3.969 3.760 4.087 . 0 0 "[ . 1]" 2
1968 1 63 PHE H 1 75 LEU QD . . 3.770 3.192 2.968 3.411 . 0 0 "[ . 1]" 2
1969 1 63 PHE HB2 1 75 LEU QD . . 4.020 3.220 2.920 3.615 . 0 0 "[ . 1]" 2
1970 1 63 PHE HB3 1 75 LEU QD . . 3.270 2.422 2.270 2.549 . 0 0 "[ . 1]" 2
1971 1 63 PHE QD 1 75 LEU QD . . 3.980 3.553 3.208 3.764 . 0 0 "[ . 1]" 2
1972 1 63 PHE QD 1 95 LEU QD . . 5.040 3.295 3.131 3.617 . 0 0 "[ . 1]" 2
1973 1 63 PHE QE 1 95 LEU QB . . 4.760 3.190 2.464 3.754 . 0 0 "[ . 1]" 2
1974 1 63 PHE QE 1 95 LEU QD . . 3.520 1.986 1.882 2.338 . 0 0 "[ . 1]" 2
1975 1 63 PHE HZ 1 95 LEU QD . . 4.560 3.037 2.704 3.397 . 0 0 "[ . 1]" 2
1976 1 64 LEU H 1 75 LEU QD . . 3.790 3.116 2.798 3.283 . 0 0 "[ . 1]" 2
1977 1 64 LEU HA 1 68 GLN QE . . 5.340 4.932 3.792 5.345 0.005 8 0 "[ . 1]" 2
1978 1 64 LEU HA 1 69 ILE QG . . 5.340 4.552 4.292 4.763 . 0 0 "[ . 1]" 2
1979 1 64 LEU HB2 1 68 GLN QB . . 4.330 3.492 3.384 3.597 . 0 0 "[ . 1]" 2
1980 1 64 LEU HB2 1 69 ILE QG . . 3.500 2.665 2.530 2.866 . 0 0 "[ . 1]" 2
1981 1 64 LEU HB3 1 68 GLN QB . . 3.310 1.942 1.885 2.011 . 0 0 "[ . 1]" 2
1982 1 64 LEU HB3 1 69 ILE QG . . 2.870 2.430 2.160 2.594 . 0 0 "[ . 1]" 2
1983 1 64 LEU HG 1 69 ILE QG . . 4.460 4.160 3.874 4.463 0.003 7 0 "[ . 1]" 2
1984 1 64 LEU HG 1 75 LEU QD . . 3.480 2.711 2.448 2.839 . 0 0 "[ . 1]" 2
1985 1 64 LEU MD1 1 68 GLN QB . . 4.090 2.622 2.331 2.952 . 0 0 "[ . 1]" 2
1986 1 64 LEU MD1 1 75 LEU QD . . 3.000 2.810 2.430 2.942 . 0 0 "[ . 1]" 2
1987 1 64 LEU MD1 1 95 LEU QD . . 4.700 3.976 3.563 4.215 . 0 0 "[ . 1]" 2
1988 1 64 LEU MD2 1 68 GLN QB . . 3.770 1.948 1.840 2.152 . 0 0 "[ . 1]" 2
1989 1 64 LEU MD2 1 75 LEU QD . . 2.800 2.774 2.624 2.831 0.031 9 0 "[ . 1]" 2
1990 1 64 LEU MD2 1 95 LEU QD . . 2.750 2.391 2.107 2.619 . 0 0 "[ . 1]" 2
1991 1 65 ASP H 1 68 GLN QB . . 3.230 2.385 1.921 2.859 . 0 0 "[ . 1]" 2
1992 1 65 ASP H 1 69 ILE QG . . 5.340 3.631 2.305 4.329 . 0 0 "[ . 1]" 2
1993 1 65 ASP QB 1 66 ASP H . . 3.010 2.133 1.918 2.300 . 0 0 "[ . 1]" 2
1994 1 65 ASP QB 1 66 ASP QB . . 5.110 3.416 2.928 4.289 . 0 0 "[ . 1]" 2
1995 1 65 ASP QB 1 67 ASP H . . 4.430 3.008 2.246 3.339 . 0 0 "[ . 1]" 2
1996 1 65 ASP QB 1 69 ILE MD . . 5.290 4.545 4.049 5.103 . 0 0 "[ . 1]" 2
1997 1 66 ASP H 1 66 ASP QB . . 3.510 2.633 2.061 3.337 . 0 0 "[ . 1]" 2
1998 1 66 ASP QB 1 67 ASP QB . . 4.660 4.000 3.695 4.367 . 0 0 "[ . 1]" 2
1999 1 66 ASP QB 1 69 ILE MD . . 4.940 4.493 3.863 4.946 0.006 10 0 "[ . 1]" 2
2000 1 67 ASP H 1 67 ASP QB . . 2.960 2.228 2.089 2.320 . 0 0 "[ . 1]" 2
2001 1 67 ASP HA 1 70 GLU QB . . 3.500 2.504 2.249 2.712 . 0 0 "[ . 1]" 2
2002 1 67 ASP QB 1 68 GLN QE . . 5.180 3.024 2.431 3.847 . 0 0 "[ . 1]" 2
2003 1 68 GLN H 1 68 GLN QB . . 3.190 2.180 2.069 2.317 . 0 0 "[ . 1]" 2
2004 1 68 GLN H 1 68 GLN QE . . 4.400 3.562 3.108 3.906 . 0 0 "[ . 1]" 2
2005 1 68 GLN H 1 70 GLU QB . . 5.340 4.497 4.440 4.556 . 0 0 "[ . 1]" 2
2006 1 68 GLN HA 1 68 GLN QE . . 5.300 3.021 2.516 3.622 . 0 0 "[ . 1]" 2
2007 1 68 GLN HA 1 95 LEU QD . . 3.460 3.367 3.175 3.494 0.034 10 0 "[ . 1]" 2
2008 1 68 GLN QB 1 69 ILE H . . 3.670 2.385 2.321 2.421 . 0 0 "[ . 1]" 2
2009 1 68 GLN QB 1 73 TYR QD . . 4.840 3.260 2.689 3.584 . 0 0 "[ . 1]" 2
2010 1 68 GLN QB 1 95 LEU QD . . 4.470 3.113 2.728 3.414 . 0 0 "[ . 1]" 2
2011 1 68 GLN HG2 1 95 LEU QD . . 3.640 2.344 1.933 2.835 . 0 0 "[ . 1]" 2
2012 1 68 GLN QE 1 68 GLN HG3 . . 3.460 2.246 2.101 3.282 . 0 0 "[ . 1]" 2
2013 1 68 GLN HG3 1 95 LEU QD . . 4.130 1.889 1.833 1.936 . 0 0 "[ . 1]" 2
2014 1 68 GLN QE 1 71 ALA MB . . 5.340 4.776 4.409 5.345 0.005 3 0 "[ . 1]" 2
2015 1 68 GLN QE 1 95 LEU HA . . 4.720 3.957 3.493 4.660 . 0 0 "[ . 1]" 2
2016 1 68 GLN QE 1 95 LEU QD . . 3.670 2.342 1.934 2.933 . 0 0 "[ . 1]" 2
2017 1 69 ILE H 1 69 ILE QG . . 3.080 2.077 1.926 2.263 . 0 0 "[ . 1]" 2
2018 1 69 ILE HA 1 69 ILE QG . . 2.980 2.437 2.412 2.470 . 0 0 "[ . 1]" 2
2019 1 69 ILE QG 1 69 ILE MG . . 2.950 2.189 2.019 2.344 . 0 0 "[ . 1]" 2
2020 1 69 ILE QG 1 75 LEU H . . 5.340 4.906 4.729 5.082 . 0 0 "[ . 1]" 2
2021 1 70 GLU H 1 70 GLU QB . . 2.750 2.089 2.042 2.257 . 0 0 "[ . 1]" 2
2022 1 70 GLU H 1 70 GLU QG . . 4.290 3.606 3.317 3.983 . 0 0 "[ . 1]" 2
2023 1 70 GLU HA 1 70 GLU QG . . 3.510 2.250 2.022 2.594 . 0 0 "[ . 1]" 2
2024 1 70 GLU QB 1 71 ALA H . . 3.690 2.478 2.298 2.629 . 0 0 "[ . 1]" 2
2025 1 70 GLU QG 1 71 ALA H . . 4.720 4.184 3.553 4.460 . 0 0 "[ . 1]" 2
2026 1 73 TYR HB2 1 95 LEU QD . . 4.040 3.440 2.986 3.731 . 0 0 "[ . 1]" 2
2027 1 73 TYR HB3 1 95 LEU QD . . 3.660 3.461 3.041 3.675 0.015 10 0 "[ . 1]" 2
2028 1 73 TYR QD 1 91 LYS QB . . 4.440 2.814 2.646 2.946 . 0 0 "[ . 1]" 2
2029 1 73 TYR QD 1 91 LYS QG . . 4.770 4.034 3.722 4.308 . 0 0 "[ . 1]" 2
2030 1 73 TYR QD 1 91 LYS QD . . 5.340 4.218 3.230 4.775 . 0 0 "[ . 1]" 2
2031 1 73 TYR QD 1 94 ASP QB . . 4.720 4.017 3.791 4.249 . 0 0 "[ . 1]" 2
2032 1 73 TYR QD 1 95 LEU QD . . 4.550 2.687 2.274 3.209 . 0 0 "[ . 1]" 2
2033 1 73 TYR QE 1 91 LYS QB . . 3.960 2.920 2.463 3.435 . 0 0 "[ . 1]" 2
2034 1 73 TYR QE 1 91 LYS QG . . 3.950 3.922 3.787 3.963 0.013 10 0 "[ . 1]" 2
2035 1 73 TYR QE 1 91 LYS QD . . 5.150 2.932 2.141 3.522 . 0 0 "[ . 1]" 2
2036 1 73 TYR QE 1 91 LYS QE . . 4.880 3.951 3.408 4.373 . 0 0 "[ . 1]" 2
2037 1 73 TYR QE 1 94 ASP QB . . 3.430 2.837 2.663 2.916 . 0 0 "[ . 1]" 2
2038 1 73 TYR QE 1 95 LEU QD . . 4.530 2.957 2.525 3.482 . 0 0 "[ . 1]" 2
2039 1 74 VAL H 1 75 LEU QD . . 4.960 4.939 4.884 4.969 0.009 9 0 "[ . 1]" 2
2040 1 74 VAL HA 1 75 LEU QD . . 4.490 4.246 4.104 4.346 . 0 0 "[ . 1]" 2
2041 1 75 LEU H 1 75 LEU QD . . 3.600 3.082 2.885 3.182 . 0 0 "[ . 1]" 2
2042 1 75 LEU H 1 78 VAL QG . . 4.530 3.727 3.614 3.922 . 0 0 "[ . 1]" 2
2043 1 75 LEU HA 1 75 LEU QD . . 3.090 1.913 1.889 1.938 . 0 0 "[ . 1]" 2
2044 1 75 LEU HB2 1 78 VAL QG . . 3.630 1.882 1.873 1.895 . 0 0 "[ . 1]" 2
2045 1 75 LEU HB3 1 75 LEU QD . . 3.070 2.087 2.061 2.106 . 0 0 "[ . 1]" 2
2046 1 75 LEU HB3 1 78 VAL QG . . 3.590 2.080 1.981 2.223 . 0 0 "[ . 1]" 2
2047 1 75 LEU HG 1 78 VAL QG . . 3.970 3.567 3.520 3.659 . 0 0 "[ . 1]" 2
2048 1 75 LEU QD 1 76 THR H . . 4.140 3.516 3.460 3.609 . 0 0 "[ . 1]" 2
2049 1 75 LEU QD 1 77 CYS H . . 4.570 3.747 3.635 3.877 . 0 0 "[ . 1]" 2
2050 1 75 LEU QD 1 78 VAL H . . 5.050 4.186 4.122 4.361 . 0 0 "[ . 1]" 2
2051 1 75 LEU QD 1 78 VAL HB . . 4.940 4.426 4.332 4.596 . 0 0 "[ . 1]" 2
2052 1 75 LEU QD 1 78 VAL QG . . 3.270 2.176 2.002 2.312 . 0 0 "[ . 1]" 2
2053 1 76 THR HA 1 87 ILE QG . . 5.050 4.849 4.659 5.036 . 0 0 "[ . 1]" 2
2054 1 76 THR MG 1 87 ILE QG . . 3.690 3.412 3.128 3.600 . 0 0 "[ . 1]" 2
2055 1 77 CYS H 1 78 VAL QG . . 4.110 3.370 3.328 3.431 . 0 0 "[ . 1]" 2
2056 1 78 VAL H 1 78 VAL QG . . 3.040 2.273 2.189 2.310 . 0 0 "[ . 1]" 2
2057 1 78 VAL HA 1 78 VAL QG . . 2.860 2.136 2.089 2.168 . 0 0 "[ . 1]" 2
2058 1 78 VAL QG 1 79 ALA H . . 3.780 3.638 3.590 3.662 . 0 0 "[ . 1]" 2
2059 1 80 TYR H 1 80 TYR QB . . 3.410 2.508 2.481 2.530 . 0 0 "[ . 1]" 2
2060 1 83 SER QB 1 84 ASP H . . 3.540 2.495 2.173 2.977 . 0 0 "[ . 1]" 2
2061 1 84 ASP QB 1 85 CYS H . . 4.380 3.153 2.778 3.715 . 0 0 "[ . 1]" 2
2062 1 85 CYS H 1 85 CYS QB . . 3.500 3.272 3.138 3.328 . 0 0 "[ . 1]" 2
2063 1 85 CYS QB 1 86 THR H . . 3.430 2.567 2.273 2.813 . 0 0 "[ . 1]" 2
2064 1 85 CYS QB 1 87 ILE QG . . 4.490 3.143 2.976 3.538 . 0 0 "[ . 1]" 2
2065 1 85 CYS QB 1 87 ILE MD . . 3.800 3.350 3.124 3.788 . 0 0 "[ . 1]" 2
2066 1 86 THR HA 1 87 ILE QG . . 5.340 4.423 4.278 4.544 . 0 0 "[ . 1]" 2
2067 1 86 THR MG 1 88 GLU QG . . 4.370 3.048 2.908 3.174 . 0 0 "[ . 1]" 2
2068 1 87 ILE H 1 87 ILE QG . . 3.950 2.501 2.313 2.614 . 0 0 "[ . 1]" 2
2069 1 87 ILE HA 1 87 ILE QG . . 3.720 2.362 2.322 2.435 . 0 0 "[ . 1]" 2
2070 1 87 ILE QG 1 87 ILE MG . . 3.000 2.013 1.932 2.107 . 0 0 "[ . 1]" 2
2071 1 87 ILE QG 1 88 GLU H . . 4.440 4.146 4.113 4.191 . 0 0 "[ . 1]" 2
2072 1 88 GLU H 1 91 LYS QB . . 5.340 5.191 4.635 5.363 0.023 5 0 "[ . 1]" 2
2073 1 88 GLU HA 1 88 GLU QG . . 3.640 2.295 2.168 2.467 . 0 0 "[ . 1]" 2
2074 1 88 GLU HB2 1 91 LYS QB . . 4.860 4.356 3.884 4.717 . 0 0 "[ . 1]" 2
2075 1 88 GLU HB2 1 91 LYS QG . . 5.310 2.948 2.491 3.216 . 0 0 "[ . 1]" 2
2076 1 88 GLU HB2 1 91 LYS QE . . 3.940 3.587 3.076 3.942 0.002 5 0 "[ . 1]" 2
2077 1 88 GLU HB3 1 91 LYS QB . . 5.320 4.457 3.844 4.878 . 0 0 "[ . 1]" 2
2078 1 88 GLU HB3 1 91 LYS QE . . 4.290 3.072 2.560 3.533 . 0 0 "[ . 1]" 2
2079 1 88 GLU QG 1 89 THR H . . 5.340 4.188 4.050 4.374 . 0 0 "[ . 1]" 2
2080 1 89 THR HA 1 91 LYS QB . . 4.990 4.030 3.741 4.243 . 0 0 "[ . 1]" 2
2081 1 90 HIS H 1 91 LYS QB . . 4.770 4.586 4.520 4.678 . 0 0 "[ . 1]" 2
2082 1 90 HIS QB 1 90 HIS HD1 . . 3.130 2.861 2.807 2.915 . 0 0 "[ . 1]" 2
2083 1 91 LYS H 1 91 LYS QB . . 3.200 2.523 2.322 2.770 . 0 0 "[ . 1]" 2
2084 1 91 LYS H 1 91 LYS QG . . 3.660 3.278 3.040 3.445 . 0 0 "[ . 1]" 2
2085 1 91 LYS H 1 91 LYS QD . . 4.670 4.271 4.106 4.552 . 0 0 "[ . 1]" 2
2086 1 91 LYS H 1 92 GLU QB . . 5.340 3.925 3.688 4.339 . 0 0 "[ . 1]" 2
2087 1 91 LYS HA 1 91 LYS QG . . 3.730 2.715 2.518 2.829 . 0 0 "[ . 1]" 2
2088 1 91 LYS HA 1 91 LYS QD . . 3.170 2.118 1.965 2.348 . 0 0 "[ . 1]" 2
2089 1 91 LYS HA 1 93 GLU QB . . 5.340 4.589 4.124 5.134 . 0 0 "[ . 1]" 2
2090 1 92 GLU H 1 92 GLU QB . . 3.450 2.761 2.277 2.978 . 0 0 "[ . 1]" 2
2091 1 92 GLU H 1 92 GLU QG . . 4.330 3.076 2.062 4.123 . 0 0 "[ . 1]" 2
2092 1 92 GLU HA 1 92 GLU QG . . 3.600 3.143 2.440 3.464 . 0 0 "[ . 1]" 2
2093 1 92 GLU HA 1 95 LEU QD . . 4.460 3.446 3.216 3.691 . 0 0 "[ . 1]" 2
2094 1 92 GLU QB 1 95 LEU H . . 5.340 4.986 4.417 5.321 . 0 0 "[ . 1]" 2
2095 1 92 GLU QB 1 96 TYR QD . . 5.340 4.216 3.598 5.162 . 0 0 "[ . 1]" 2
2096 1 92 GLU QB 1 96 TYR QE . . 4.380 3.444 2.385 4.378 . 0 0 "[ . 1]" 2
2097 1 92 GLU QG 1 93 GLU HA . . 4.240 3.847 3.158 4.249 0.009 2 0 "[ . 1]" 2
2098 1 92 GLU QG 1 96 TYR QD . . 4.660 3.950 2.445 4.661 0.001 6 0 "[ . 1]" 2
2099 1 92 GLU QG 1 96 TYR QE . . 4.280 3.432 2.018 4.284 0.004 1 0 "[ . 1]" 2
2100 1 93 GLU H 1 93 GLU QB . . 2.830 2.390 2.076 2.793 . 0 0 "[ . 1]" 2
2101 1 93 GLU HA 1 93 GLU QG . . 3.560 2.585 2.041 3.337 . 0 0 "[ . 1]" 2
2102 1 93 GLU QB 1 96 TYR QD . . 5.340 5.018 4.143 5.355 0.015 6 0 "[ . 1]" 2
2103 1 93 GLU QG 1 94 ASP H . . 4.940 3.784 2.168 4.583 . 0 0 "[ . 1]" 2
2104 1 94 ASP QB 1 95 LEU H . . 3.920 2.909 2.685 3.086 . 0 0 "[ . 1]" 2
2105 1 94 ASP QB 1 95 LEU QD . . 4.080 2.572 2.283 3.008 . 0 0 "[ . 1]" 2
2106 1 95 LEU H 1 95 LEU QB . . 3.480 2.638 2.462 2.703 . 0 0 "[ . 1]" 2
2107 1 95 LEU H 1 95 LEU QD . . 3.890 2.760 2.508 3.103 . 0 0 "[ . 1]" 2
2108 1 95 LEU HA 1 95 LEU QD . . 3.880 2.201 2.089 2.315 . 0 0 "[ . 1]" 2
2109 1 95 LEU QB 1 95 LEU QD . . 2.700 1.933 1.916 1.955 . 0 0 "[ . 1]" 2
2110 1 95 LEU QB 1 96 TYR H . . 4.110 2.712 1.992 3.716 . 0 0 "[ . 1]" 2
2111 1 95 LEU QB 1 96 TYR HA . . 5.230 4.095 3.726 4.492 . 0 0 "[ . 1]" 2
2112 1 95 LEU QB 1 96 TYR QE . . 4.410 3.464 3.017 3.720 . 0 0 "[ . 1]" 2
2113 1 95 LEU QD 1 96 TYR H . . 5.260 3.976 3.669 4.213 . 0 0 "[ . 1]" 2
2114 1 95 LEU QD 1 96 TYR QD . . 5.440 4.097 3.732 4.749 . 0 0 "[ . 1]" 2
2115 1 95 LEU QD 1 96 TYR QE . . 5.440 3.663 3.031 4.377 . 0 0 "[ . 1]" 2
2116 1 96 TYR H 1 96 TYR QB . . 3.440 2.734 2.302 3.426 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 18.859
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0258
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.011 0.003 9 0 "[ . 1]"
1 3 TYR 0.080 0.011 4 0 "[ . 1]"
1 5 VAL 0.164 0.031 8 0 "[ . 1]"
1 9 THR 0.039 0.009 6 0 "[ . 1]"
1 10 PRO 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.039 0.009 6 0 "[ . 1]"
1 18 CYS 0.003 0.003 9 0 "[ . 1]"
1 19 SER 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.088 0.011 4 0 "[ . 1]"
1 23 TYR 0.029 0.014 9 0 "[ . 1]"
1 49 GLY 0.016 0.008 1 0 "[ . 1]"
1 56 VAL 1.293 0.096 9 0 "[ . 1]"
1 64 LEU 0.255 0.054 10 0 "[ . 1]"
1 68 GLN 0.255 0.054 10 0 "[ . 1]"
1 79 ALA 0.029 0.014 9 0 "[ . 1]"
1 82 THR 0.756 0.096 9 0 "[ . 1]"
1 83 SER 0.537 0.069 6 0 "[ . 1]"
1 85 CYS 0.164 0.031 8 0 "[ . 1]"
1 86 THR 0.000 0.000 . 0 "[ . 1]"
1 91 LYS 0.016 0.008 1 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 3 TYR QD 1 20 ASP H . . 5.500 4.587 4.506 4.691 . 0 0 "[ . 1]" 3
2 1 56 VAL HA 1 83 SER H . . 4.500 4.554 4.538 4.569 0.069 6 0 "[ . 1]" 3
3 1 49 GLY HA3 1 91 LYS H . . 5.500 5.233 4.745 5.508 0.008 1 0 "[ . 1]" 3
4 1 9 THR H 1 12 GLY H . . 5.500 4.136 4.116 4.144 . 0 0 "[ . 1]" 3
5 1 5 VAL MG1 1 86 THR H . . 5.500 5.237 5.057 5.381 . 0 0 "[ . 1]" 3
6 1 5 VAL HB 1 85 CYS H . . 5.500 5.516 5.505 5.531 0.031 8 0 "[ . 1]" 3
7 1 23 TYR HB2 1 79 ALA H . . 5.000 4.939 4.804 5.014 0.014 9 0 "[ . 1]" 3
8 1 64 LEU HB2 1 68 GLN H . . 5.500 5.526 5.502 5.554 0.054 10 0 "[ . 1]" 3
9 1 56 VAL MG2 1 82 THR H . . 5.500 5.576 5.525 5.596 0.096 9 0 "[ . 1]" 3
10 1 2 SER HB2 1 18 CYS H . . 5.500 4.445 3.486 5.503 0.003 9 0 "[ . 1]" 3
11 1 2 SER HB2 1 20 ASP H . . 5.500 5.412 4.865 5.502 0.002 8 0 "[ . 1]" 3
12 1 2 SER HA 1 20 ASP H . . 5.000 3.851 3.649 4.144 . 0 0 "[ . 1]" 3
13 1 10 PRO HA 1 12 GLY H . . 5.000 3.671 3.661 3.691 . 0 0 "[ . 1]" 3
14 1 3 TYR QE 1 20 ASP H . . 5.500 5.508 5.505 5.511 0.011 4 0 "[ . 1]" 3
15 1 9 THR HA 1 12 GLY H . . 5.000 5.002 4.978 5.009 0.009 6 0 "[ . 1]" 3
16 1 3 TYR H 1 19 SER HA . . 4.500 3.537 3.438 3.627 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 7.962
_Distance_constraint_stats_list.Viol_max 0.029
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0105
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 TYR 0.122 0.021 6 0 "[ . 1]"
1 4 THR 0.195 0.029 8 0 "[ . 1]"
1 5 VAL 0.009 0.006 10 0 "[ . 1]"
1 6 LYS 0.148 0.024 4 0 "[ . 1]"
1 7 LEU 0.000 0.000 6 0 "[ . 1]"
1 8 ILE 0.000 0.000 . 0 "[ . 1]"
1 9 THR 0.134 0.028 10 0 "[ . 1]"
1 12 GLY 0.134 0.028 10 0 "[ . 1]"
1 14 SER 0.000 0.000 6 0 "[ . 1]"
1 16 ILE 0.009 0.006 10 0 "[ . 1]"
1 18 CYS 0.122 0.021 6 0 "[ . 1]"
1 23 TYR 0.011 0.011 5 0 "[ . 1]"
1 27 ALA 0.011 0.011 5 0 "[ . 1]"
1 49 GLY 0.004 0.004 6 0 "[ . 1]"
1 50 LYS 0.072 0.026 6 0 "[ . 1]"
1 51 ILE 0.000 0.000 . 0 "[ . 1]"
1 57 ASP 0.050 0.016 7 0 "[ . 1]"
1 67 ASP 0.051 0.014 8 0 "[ . 1]"
1 71 ALA 0.051 0.014 8 0 "[ . 1]"
1 72 GLY 0.000 0.000 . 0 "[ . 1]"
1 74 VAL 0.004 0.004 6 0 "[ . 1]"
1 80 TYR 0.050 0.016 7 0 "[ . 1]"
1 85 CYS 0.195 0.029 8 0 "[ . 1]"
1 87 ILE 0.148 0.024 4 0 "[ . 1]"
1 88 GLU 0.072 0.026 6 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 5 VAL H 1 16 ILE O . . 2.400 1.867 1.795 1.920 . 0 0 "[ . 1]" 4
2 1 5 VAL N 1 16 ILE O . . 3.300 2.750 2.744 2.757 . 0 0 "[ . 1]" 4
3 1 6 LYS H 1 85 CYS O . . 2.400 1.915 1.815 2.047 . 0 0 "[ . 1]" 4
4 1 6 LYS N 1 85 CYS O . . 3.300 2.779 2.740 2.933 . 0 0 "[ . 1]" 4
5 1 7 LEU H 1 14 SER O . . 2.400 2.214 2.083 2.385 . 0 0 "[ . 1]" 4
6 1 7 LEU N 1 14 SER O . . 3.300 3.101 2.961 3.300 0.000 6 0 "[ . 1]" 4
7 1 8 ILE H 1 87 ILE O . . 2.400 2.147 2.040 2.230 . 0 0 "[ . 1]" 4
8 1 8 ILE N 1 87 ILE O . . 3.300 3.013 2.913 3.085 . 0 0 "[ . 1]" 4
9 1 9 THR H 1 12 GLY O . . 2.400 2.413 2.392 2.428 0.028 10 0 "[ . 1]" 4
10 1 9 THR N 1 12 GLY O . . 3.300 3.161 3.133 3.173 . 0 0 "[ . 1]" 4
11 1 5 VAL O 1 16 ILE H . . 2.400 2.267 2.104 2.406 0.006 10 0 "[ . 1]" 4
12 1 5 VAL O 1 16 ILE N . . 3.300 3.083 2.940 3.303 0.003 6 0 "[ . 1]" 4
13 1 3 TYR O 1 18 CYS H . . 2.400 2.395 2.367 2.414 0.014 7 0 "[ . 1]" 4
14 1 3 TYR O 1 18 CYS N . . 3.300 3.309 3.302 3.321 0.021 6 0 "[ . 1]" 4
15 1 49 GLY H 1 74 VAL O . . 2.400 1.864 1.807 1.968 . 0 0 "[ . 1]" 4
16 1 49 GLY N 1 74 VAL O . . 3.300 2.747 2.737 2.789 . 0 0 "[ . 1]" 4
17 1 50 LYS H 1 88 GLU O . . 2.400 2.393 2.334 2.426 0.026 6 0 "[ . 1]" 4
18 1 50 LYS N 1 88 GLU O . . 3.300 3.098 2.982 3.194 . 0 0 "[ . 1]" 4
19 1 51 ILE H 1 72 GLY O . . 2.400 1.820 1.793 1.886 . 0 0 "[ . 1]" 4
20 1 51 ILE N 1 72 GLY O . . 3.300 2.771 2.732 2.848 . 0 0 "[ . 1]" 4
21 1 57 ASP H 1 80 TYR O . . 2.400 2.340 1.990 2.416 0.016 7 0 "[ . 1]" 4
22 1 57 ASP N 1 80 TYR O . . 3.300 2.990 2.895 3.020 . 0 0 "[ . 1]" 4
23 1 49 GLY O 1 74 VAL H . . 2.400 1.943 1.798 2.334 . 0 0 "[ . 1]" 4
24 1 49 GLY O 1 74 VAL N . . 3.300 2.886 2.745 3.304 0.004 6 0 "[ . 1]" 4
25 1 57 ASP O 1 80 TYR H . . 2.400 2.068 1.956 2.162 . 0 0 "[ . 1]" 4
26 1 57 ASP O 1 80 TYR N . . 3.300 2.872 2.794 2.952 . 0 0 "[ . 1]" 4
27 1 4 THR O 1 85 CYS H . . 2.400 2.410 2.392 2.429 0.029 8 0 "[ . 1]" 4
28 1 4 THR O 1 85 CYS N . . 3.300 3.301 3.267 3.319 0.019 7 0 "[ . 1]" 4
29 1 6 LYS O 1 87 ILE H . . 2.400 2.414 2.395 2.424 0.024 4 0 "[ . 1]" 4
30 1 6 LYS O 1 87 ILE N . . 3.300 2.814 2.773 2.869 . 0 0 "[ . 1]" 4
31 1 50 LYS O 1 88 GLU H . . 2.400 2.222 1.882 2.404 0.004 10 0 "[ . 1]" 4
32 1 50 LYS O 1 88 GLU N . . 3.300 3.076 2.746 3.302 0.002 10 0 "[ . 1]" 4
33 1 23 TYR O 1 27 ALA H . . 2.400 2.249 2.106 2.380 . 0 0 "[ . 1]" 4
34 1 23 TYR O 1 27 ALA N . . 3.300 3.192 3.083 3.311 0.011 5 0 "[ . 1]" 4
35 1 67 ASP O 1 71 ALA H . . 2.400 2.329 2.109 2.406 0.006 1 0 "[ . 1]" 4
36 1 67 ASP O 1 71 ALA N . . 3.300 3.262 3.040 3.314 0.014 8 0 "[ . 1]" 4
stop_
save_
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