NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551710 |
2lzg   |
18755 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lzg
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 1928
_Distance_constraint_stats_list.Viol_count 2951
_Distance_constraint_stats_list.Viol_total 8169.679
_Distance_constraint_stats_list.Viol_max 3.234
_Distance_constraint_stats_list.Viol_rms 0.3788
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1695
_Distance_constraint_stats_list.Viol_average_violations_only 0.5537
_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 8 VAL 1.724 0.744 1 1 "[+ .]"
1 9 PRO 1.219 0.573 1 1 "[+ .]"
1 10 THR 4.356 0.791 4 1 "[ +.]"
1 11 ASP 1.776 0.573 1 1 "[+ .]"
1 12 GLY 5.496 0.791 4 1 "[ +.]"
1 13 ALA 60.081 2.140 4 5 [*-*+*]
1 14 VAL 44.067 2.077 3 5 [*-+**]
1 15 THR 11.257 1.381 2 5 [*+-**]
1 16 THR 72.641 2.735 5 5 [*-**+]
1 17 SER 10.160 1.581 2 5 [-+***]
1 18 GLN 27.296 1.394 3 5 [**+-*]
1 19 ILE 147.033 2.735 5 5 [-***+]
1 20 PRO 29.018 2.543 2 5 [*+***]
1 21 ALA 40.194 1.798 2 5 [*+***]
1 22 SER 22.595 2.135 3 5 [-*+**]
1 23 GLU 42.268 1.752 4 5 [*-*+*]
1 24 GLN 29.986 1.192 3 5 [**+-*]
1 25 GLU 53.954 2.135 3 5 [**+*-]
1 26 THR 62.434 2.126 2 5 [*+*-*]
1 27 LEU 45.695 1.732 3 5 [**+**]
1 28 VAL 52.779 1.519 2 5 [*+*-*]
1 29 ARG 33.353 1.732 3 5 [*-+**]
1 33 LEU 42.463 1.135 2 5 [*+*-*]
1 34 LEU 40.538 1.415 2 5 [-+***]
1 35 LEU 51.056 2.358 4 5 [-**+*]
1 36 LYS 21.191 2.358 4 5 [-**+*]
1 37 LEU 44.123 1.449 3 5 [**+**]
1 38 LEU 53.367 1.138 2 5 [*+*-*]
1 39 LYS 39.138 1.176 3 5 [**+**]
1 40 SER 14.327 1.366 5 5 [*-**+]
1 41 VAL 83.743 1.920 5 5 [****+]
1 42 GLY 17.603 0.763 3 5 [**+**]
1 43 ALA 55.373 1.592 3 5 [-*+**]
1 44 GLN 12.057 1.104 3 5 [**+**]
1 45 LYS 6.888 0.933 4 5 [-**+*]
1 46 ASP 0.110 0.043 3 0 "[ .]"
1 47 THR 43.586 1.519 2 5 [*+*-*]
1 48 TYR 32.540 1.104 3 5 [*-+**]
1 49 THR 63.073 2.009 2 5 [*+*-*]
1 50 MET 48.055 2.126 2 5 [*+*-*]
1 51 LYS 50.006 2.176 3 5 [**+-*]
1 52 GLU 23.294 2.140 4 5 [-**+*]
1 53 VAL 65.447 2.717 3 5 [-*+**]
1 54 LEU 69.255 2.689 3 5 [*-+**]
1 55 PHE 32.280 1.777 5 5 [-***+]
1 56 TYR 19.878 1.592 3 5 [**+**]
1 57 LEU 77.044 2.209 2 5 [-+***]
1 58 GLY 28.921 1.403 1 5 [+-***]
1 59 GLN 10.899 1.346 2 5 [*+***]
1 60 TYR 35.899 1.092 2 5 [-+***]
1 61 ILE 110.856 2.947 2 5 [*+-**]
1 62 MET 10.980 1.952 3 2 "[ *+ .]"
1 63 THR 13.841 1.127 1 4 "[+** -]"
1 64 LYS 28.179 1.642 4 5 [-**+*]
1 65 ARG 7.061 0.725 2 4 "[-+* *]"
1 66 LEU 47.292 2.593 3 5 [**+**]
1 67 TYR 29.229 2.482 3 4 [-*+*.]
1 69 GLU 8.351 1.001 1 5 [+*-**]
1 70 LYS 4.646 1.001 1 5 [+*-**]
1 71 GLN 2.401 0.535 3 1 "[ + .]"
1 72 GLN 0.029 0.029 2 0 "[ .]"
1 74 ILE 99.521 3.234 1 5 [+***-]
1 75 VAL 42.299 2.384 3 5 [**+-*]
1 76 TYR 30.792 1.533 2 5 [*+**-]
1 77 CYS 22.200 2.543 3 5 [**+-*]
1 78 SER 12.232 1.953 3 5 [-*+**]
1 79 ASN 2.811 0.911 4 1 "[ +.]"
1 80 ASP 12.180 1.010 3 4 [**+*.]
1 81 LEU 29.848 1.366 5 5 [*-**+]
1 82 LEU 48.501 2.158 2 5 [*+***]
1 83 GLY 3.008 0.557 2 1 "[ + .]"
1 84 ASP 17.276 1.214 1 5 [+-***]
1 85 LEU 39.118 1.415 2 5 [*+***]
1 86 PHE 14.116 2.947 2 5 [*+***]
1 87 GLY 5.841 0.809 4 4 "[-* +*]"
1 88 VAL 14.942 1.614 5 5 [-***+]
1 89 PRO 4.503 1.169 3 4 "[ *+-*]"
1 90 SER 30.571 2.171 5 5 [**-*+]
1 91 PHE 39.830 2.364 1 5 [+*-**]
1 92 SER 27.844 2.091 3 5 [-*+**]
1 93 VAL 51.755 1.582 4 5 [***+-]
1 94 LYS 28.498 3.234 1 5 [+****]
1 95 GLU 34.807 2.572 3 5 [-*+**]
1 96 HIS 45.030 1.920 1 5 [+****]
1 97 ARG 50.537 2.685 1 5 [+***-]
1 98 LYS 16.197 1.333 2 4 "[*+- *]"
1 99 ILE 56.273 2.364 1 5 [+-***]
1 100 TYR 32.974 2.689 3 5 [-*+**]
1 101 THR 54.888 1.842 3 5 [-*+**]
1 102 MET 5.608 1.042 1 4 "[+* *-]"
1 103 ILE 57.975 2.717 3 5 [*-+**]
1 104 TYR 30.811 1.633 2 5 [-+***]
1 105 ARG 10.733 1.042 1 4 "[+- **]"
1 106 ASN 13.123 0.908 3 5 [**+*-]
1 107 LEU 35.136 1.307 1 5 [+****]
1 108 VAL 4.704 0.421 4 0 "[ .]"
1 109 VAL 20.847 1.307 1 5 [+****]
1 110 VAL 13.699 0.987 5 5 [*-**+]
1 111 ASN 11.338 1.064 5 5 [***-+]
1 112 GLN 8.884 1.029 3 1 "[ + .]"
1 113 GLN 5.199 1.029 3 1 "[ + .]"
1 115 SER 0.000 0.000 . 0 "[ .]"
1 116 SER 0.000 0.000 . 0 "[ .]"
1 117 ASP 0.058 0.058 4 0 "[ .]"
1 118 SER 0.253 0.195 5 0 "[ .]"
1 119 GLY 0.195 0.195 5 0 "[ .]"
1 120 THR 0.000 0.000 . 0 "[ .]"
1 121 SER 0.100 0.040 3 0 "[ .]"
1 122 VAL 0.100 0.040 3 0 "[ .]"
1 123 SER 0.000 0.000 . 0 "[ .]"
1 124 GLU 0.000 0.000 . 0 "[ .]"
1 125 ASN 0.000 0.000 . 0 "[ .]"
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 21 ALA MB 1 51 LYS HA . . 4.990 4.692 4.471 4.896 . 0 0 "[ .]" 1
2 1 107 LEU HA 1 107 LEU QD . . 3.400 3.188 3.183 3.193 . 0 0 "[ .]" 1
3 1 28 VAL HB 1 107 LEU QD . . 3.300 3.223 3.012 3.466 0.166 4 0 "[ .]" 1
4 1 28 VAL HA 1 28 VAL QG . . 3.250 2.265 2.250 2.283 . 0 0 "[ .]" 1
5 1 28 VAL QG 1 48 TYR HA . . 5.090 4.040 3.960 4.120 . 0 0 "[ .]" 1
6 1 28 VAL QG 1 107 LEU HA . . 4.980 5.028 4.728 5.207 0.227 2 0 "[ .]" 1
7 1 33 LEU QD 1 36 LYS HA . . 5.340 4.776 4.709 4.858 . 0 0 "[ .]" 1
8 1 37 LEU HA 1 37 LEU HG . . 3.930 2.728 2.438 3.761 . 0 0 "[ .]" 1
9 1 38 LEU QD 1 39 LYS H . . 3.410 3.667 3.541 3.775 0.365 5 0 "[ .]" 1
10 1 34 LEU QD 1 38 LEU QD . . 3.660 3.025 2.732 3.389 . 0 0 "[ .]" 1
11 1 39 LYS QG 1 43 ALA HA . . 5.500 6.171 5.930 6.477 0.977 2 3 "[ +* -]" 1
12 1 67 TYR HA 1 75 VAL HB . . 4.230 3.873 3.366 4.872 0.642 2 1 "[ + .]" 1
13 1 67 TYR HA 1 75 VAL QG . . 3.730 2.697 2.184 3.340 . 0 0 "[ .]" 1
14 1 74 ILE HB 1 74 ILE MD . . 2.710 2.290 2.202 2.352 . 0 0 "[ .]" 1
15 1 61 ILE HA 1 75 VAL QG . . 4.860 5.434 4.757 5.882 1.022 3 3 "[* +-.]" 1
16 1 54 LEU QD 1 100 TYR HA . . 4.410 3.844 3.535 4.212 . 0 0 "[ .]" 1
17 1 103 ILE MG 1 107 LEU QD . . 3.650 3.564 3.369 3.759 0.109 4 0 "[ .]" 1
18 1 16 THR MG 1 18 GLN HA . . 3.560 4.698 4.168 4.954 1.394 3 5 [*-+**] 1
19 1 34 LEU QB 1 38 LEU QD . . 4.280 4.510 4.181 4.843 0.563 2 1 "[ + .]" 1
20 1 34 LEU HA 1 38 LEU QD . . 4.160 4.885 4.586 5.298 1.138 2 3 "[ +- *]" 1
21 1 13 ALA HA 1 55 PHE QE . . 4.920 3.744 3.557 3.987 . 0 0 "[ .]" 1
22 1 13 ALA HA 1 14 VAL QG . . 3.920 3.920 3.420 4.367 0.447 2 0 "[ .]" 1
23 1 19 ILE MG 1 97 ARG QB . . 4.870 5.808 5.395 6.187 1.317 5 5 [**-*+] 1
24 1 28 VAL QG 1 107 LEU QD . . 2.990 1.986 1.947 2.021 . 0 0 "[ .]" 1
25 1 28 VAL QG 1 107 LEU HG . . 4.930 3.503 3.256 3.767 . 0 0 "[ .]" 1
26 1 35 LEU HG 1 107 LEU HA . . 5.000 6.074 5.956 6.300 1.300 3 5 [**+-*] 1
27 1 13 ALA MB 1 52 GLU HA . . 2.920 4.572 3.991 5.060 2.140 4 5 [**-+*] 1
28 1 38 LEU QD 1 53 VAL HB . . 4.270 3.762 3.602 4.000 . 0 0 "[ .]" 1
29 1 54 LEU QD 1 100 TYR QE . . 3.990 2.794 2.703 2.877 . 0 0 "[ .]" 1
30 1 54 LEU QD 1 96 HIS HD2 . . 5.500 5.554 5.269 5.841 0.341 5 0 "[ .]" 1
31 1 54 LEU QD 1 99 ILE MD . . 5.390 4.060 3.382 4.916 . 0 0 "[ .]" 1
32 1 14 VAL QG 1 54 LEU HA . . 4.150 4.550 4.209 4.810 0.660 4 1 "[ +.]" 1
33 1 14 VAL H 1 55 PHE HA . . 5.500 4.476 4.073 5.194 . 0 0 "[ .]" 1
34 1 14 VAL QG 1 55 PHE HA . . 4.270 2.599 2.161 2.879 . 0 0 "[ .]" 1
35 1 74 ILE HA 1 75 VAL QG . . 3.410 3.422 3.294 3.590 0.180 5 0 "[ .]" 1
36 1 61 ILE MG 1 75 VAL HB . . 3.910 4.621 3.926 5.769 1.859 2 3 "[-+* .]" 1
37 1 74 ILE H 1 75 VAL QG . . 5.180 4.751 4.330 5.246 0.066 5 0 "[ .]" 1
38 1 75 VAL QG 1 76 TYR HA . . 5.440 3.704 3.618 3.813 . 0 0 "[ .]" 1
39 1 61 ILE HA 1 82 LEU QD . . 4.810 4.622 4.452 4.873 0.063 2 0 "[ .]" 1
40 1 82 LEU QD 1 85 LEU HG . . 3.730 3.488 3.237 3.885 0.155 1 0 "[ .]" 1
41 1 61 ILE MD 1 82 LEU QD . . 3.480 3.491 2.348 5.123 1.643 2 2 "[ +- .]" 1
42 1 82 LEU QD 1 85 LEU QD . . 3.600 2.551 1.882 3.173 . 0 0 "[ .]" 1
43 1 37 LEU HA 1 85 LEU QD . . 4.590 4.248 3.895 4.432 . 0 0 "[ .]" 1
44 1 74 ILE QG 1 91 PHE HA . . 5.340 3.779 3.226 4.665 . 0 0 "[ .]" 1
45 1 75 VAL QG 1 93 VAL QG . . 3.460 2.712 2.291 3.004 . 0 0 "[ .]" 1
46 1 35 LEU QD 1 106 ASN HA . . 5.440 6.106 5.935 6.348 0.908 3 4 [-*+*.] 1
47 1 34 LEU QB 1 106 ASN HA . . 5.040 4.531 4.399 4.704 . 0 0 "[ .]" 1
48 1 35 LEU QD 1 107 LEU HA . . 3.250 3.146 3.073 3.231 . 0 0 "[ .]" 1
49 1 35 LEU QD 1 107 LEU QD . . 4.780 3.475 3.061 3.827 . 0 0 "[ .]" 1
50 1 104 TYR HA 1 107 LEU QD . . 2.410 2.073 2.033 2.107 . 0 0 "[ .]" 1
51 1 105 ARG H 1 107 LEU QD . . 3.770 3.584 3.334 3.981 0.211 3 0 "[ .]" 1
52 1 38 LEU QD 1 53 VAL QG . . 3.500 1.881 1.801 1.943 . 0 0 "[ .]" 1
53 1 14 VAL QG 1 54 LEU HG . . 3.850 3.400 2.720 3.741 . 0 0 "[ .]" 1
54 1 14 VAL QG 1 55 PHE QB . . 3.890 3.203 2.791 3.434 . 0 0 "[ .]" 1
55 1 14 VAL QG 1 55 PHE QE . . 2.700 3.253 2.819 3.638 0.938 5 3 "[ *- +]" 1
56 1 14 VAL QG 1 54 LEU QD . . 2.830 2.689 2.004 3.446 0.616 4 2 "[ - +.]" 1
57 1 26 THR H 1 27 LEU H . . 4.390 4.476 4.429 4.528 0.138 2 0 "[ .]" 1
58 1 28 VAL H 1 107 LEU QD . . 5.500 5.475 5.346 5.657 0.157 4 0 "[ .]" 1
59 1 28 VAL QG 1 29 ARG H . . 3.180 3.350 3.301 3.420 0.240 4 0 "[ .]" 1
60 1 35 LEU H 1 107 LEU QD . . 5.500 5.771 5.361 6.550 1.050 4 1 "[ +.]" 1
61 1 14 VAL QG 1 54 LEU H . . 5.150 4.714 4.045 5.144 . 0 0 "[ .]" 1
62 1 39 LYS QG 1 40 SER H . . 4.710 4.215 4.108 4.262 . 0 0 "[ .]" 1
63 1 39 LYS QG 1 42 GLY H . . 5.340 5.735 5.595 5.855 0.515 2 1 "[ + .]" 1
64 1 38 LEU QD 1 57 LEU H . . 3.960 3.652 3.503 3.945 . 0 0 "[ .]" 1
65 1 55 PHE H 1 57 LEU H . . 4.320 4.144 4.095 4.176 . 0 0 "[ .]" 1
66 1 57 LEU H 1 59 GLN H . . 4.660 4.132 4.050 4.224 . 0 0 "[ .]" 1
67 1 50 MET H 1 53 VAL QG . . 5.020 4.479 4.206 4.711 . 0 0 "[ .]" 1
68 1 50 MET H 1 53 VAL HB . . 4.950 5.404 5.080 5.758 0.808 1 2 "[+ -.]" 1
69 1 53 VAL QG 1 55 PHE H . . 4.310 4.350 4.178 4.713 0.403 1 0 "[ .]" 1
70 1 53 VAL QG 1 58 GLY H . . 5.020 5.961 5.647 6.252 1.232 3 5 [**+-*] 1
71 1 61 ILE H 1 82 LEU QD . . 4.380 4.688 4.531 4.797 0.417 1 0 "[ .]" 1
72 1 14 VAL QG 1 55 PHE H . . 3.990 3.802 3.402 4.140 0.150 1 0 "[ .]" 1
73 1 69 GLU QB 1 74 ILE H . . 5.090 4.851 3.745 5.815 0.725 1 1 "[+ .]" 1
74 1 75 VAL H 1 75 VAL QG . . 2.990 2.111 2.040 2.156 . 0 0 "[ .]" 1
75 1 82 LEU QD 1 83 GLY H . . 4.420 3.767 3.659 3.953 . 0 0 "[ .]" 1
76 1 99 ILE HA 1 103 ILE H . . 4.470 4.864 4.588 5.260 0.790 2 2 "[ + -.]" 1
77 1 35 LEU QD 1 107 LEU H . . 4.970 5.288 5.147 5.408 0.438 4 0 "[ .]" 1
78 1 28 VAL QG 1 108 VAL H . . 3.630 3.848 3.622 4.009 0.379 3 0 "[ .]" 1
79 1 120 THR HB 1 121 SER H . . 4.820 3.586 2.216 4.297 . 0 0 "[ .]" 1
80 1 39 LYS H 1 39 LYS QG . . 4.560 4.025 3.988 4.078 . 0 0 "[ .]" 1
81 1 38 LEU HG 1 39 LYS H . . 3.390 2.953 2.739 3.109 . 0 0 "[ .]" 1
82 1 35 LEU HA 1 39 LYS H . . 4.270 4.962 4.558 5.168 0.898 5 4 "[ **-+]" 1
83 1 75 VAL HB 1 76 TYR H . . 3.560 3.091 2.316 4.087 0.527 5 1 "[ +]" 1
84 1 103 ILE MG 1 104 TYR H . . 4.340 3.699 3.556 3.833 . 0 0 "[ .]" 1
85 1 104 TYR H 1 107 LEU QD . . 4.430 4.150 4.103 4.188 . 0 0 "[ .]" 1
86 1 35 LEU HG 1 36 LYS H . . 4.590 5.277 4.943 5.737 1.147 4 3 "[ *-+.]" 1
87 1 39 LYS QG 1 43 ALA H . . 5.070 4.660 4.514 4.790 . 0 0 "[ .]" 1
88 1 38 LEU QB 1 39 LYS H . . 3.360 3.797 3.689 3.890 0.530 5 1 "[ +]" 1
89 1 10 THR MG 1 12 GLY H . . 4.980 5.337 5.255 5.422 0.442 5 0 "[ .]" 1
90 1 14 VAL QG 1 15 THR H . . 3.130 2.792 2.642 2.863 . 0 0 "[ .]" 1
91 1 13 ALA H 1 14 VAL QG . . 4.150 4.894 4.515 5.359 1.209 2 3 "[ +* -]" 1
92 1 14 VAL H 1 14 VAL QG . . 3.240 2.848 2.453 3.003 . 0 0 "[ .]" 1
93 1 13 ALA H 1 55 PHE QB . . 5.010 5.867 5.708 5.972 0.962 1 5 [+***-] 1
94 1 13 ALA HA 1 52 GLU QG . . 3.950 5.092 4.406 6.014 2.064 1 4 "[+- **]" 1
95 1 13 ALA HA 1 55 PHE QB . . 4.010 3.339 3.007 3.669 . 0 0 "[ .]" 1
96 1 13 ALA MB 1 52 GLU QG . . 4.410 4.180 3.411 4.985 0.575 1 1 "[+ .]" 1
97 1 14 VAL QG 1 54 LEU QB . . 2.370 2.603 2.071 3.084 0.714 5 1 "[ +]" 1
98 1 19 ILE MD 1 24 GLN QG . . 3.990 4.249 3.974 4.507 0.517 4 1 "[ +.]" 1
99 1 21 ALA H 1 51 LYS QB . . 4.110 5.503 5.015 5.689 1.579 5 5 [***-+] 1
100 1 21 ALA HA 1 51 LYS QB . . 2.720 3.548 3.211 3.799 1.079 5 4 "[**- +]" 1
101 1 24 GLN QB 1 51 LYS HA . . 4.270 3.903 3.583 4.068 . 0 0 "[ .]" 1
102 1 24 GLN QB 1 51 LYS QB . . 5.030 3.974 3.392 4.269 . 0 0 "[ .]" 1
103 1 27 LEU QB 1 47 THR HB . . 4.870 4.153 3.356 5.048 0.178 2 0 "[ .]" 1
104 1 28 VAL HB 1 107 LEU QB . . 4.990 3.989 3.742 4.330 . 0 0 "[ .]" 1
105 1 28 VAL QG 1 48 TYR QB . . 4.220 2.311 2.120 2.573 . 0 0 "[ .]" 1
106 1 28 VAL QG 1 107 LEU QB . . 3.690 3.275 2.993 3.520 . 0 0 "[ .]" 1
107 1 28 VAL QG 1 108 VAL QG . . 4.190 3.742 3.698 3.822 . 0 0 "[ .]" 1
108 1 33 LEU QD 1 36 LYS QB . . 2.930 2.399 2.253 2.517 . 0 0 "[ .]" 1
109 1 33 LEU QD 1 36 LYS QD . . 3.230 2.109 2.008 2.197 . 0 0 "[ .]" 1
110 1 34 LEU QD 1 35 LEU HA . . 3.330 3.333 3.227 3.497 0.167 4 0 "[ .]" 1
111 1 34 LEU QD 1 85 LEU H . . 5.110 5.142 4.855 5.596 0.486 3 0 "[ .]" 1
112 1 34 LEU QD 1 85 LEU HA . . 3.010 4.054 3.771 4.425 1.415 2 5 [*+-**] 1
113 1 34 LEU QD 1 85 LEU QB . . 3.140 2.329 2.034 2.945 . 0 0 "[ .]" 1
114 1 34 LEU QD 1 103 ILE MD . . 4.260 3.274 3.068 3.635 . 0 0 "[ .]" 1
115 1 35 LEU QB 1 38 LEU QD . . 3.140 2.619 2.195 3.281 0.141 4 0 "[ .]" 1
116 1 35 LEU QB 1 39 LYS H . . 4.790 5.081 4.687 5.218 0.428 2 0 "[ .]" 1
117 1 37 LEU HA 1 37 LEU QB . . 2.400 2.391 2.382 2.400 0.000 4 0 "[ .]" 1
118 1 37 LEU QB 1 85 LEU QD . . 2.960 2.463 2.028 2.672 . 0 0 "[ .]" 1
119 1 37 LEU QD 1 38 LEU QB . . 3.880 3.398 3.371 3.430 . 0 0 "[ .]" 1
120 1 37 LEU QD 1 84 ASP QB . . 5.280 5.251 4.614 5.868 0.588 3 1 "[ + .]" 1
121 1 38 LEU H 1 41 VAL QG . . 4.100 4.080 3.901 4.230 0.130 4 0 "[ .]" 1
122 1 38 LEU QD 1 57 LEU QB . . 3.300 3.358 3.267 3.568 0.268 4 0 "[ .]" 1
123 1 38 LEU QD 1 57 LEU QD . . 4.250 3.216 3.087 3.390 . 0 0 "[ .]" 1
124 1 41 VAL QG 1 57 LEU H . . 3.910 4.829 4.522 4.996 1.086 5 5 [**-*+] 1
125 1 49 THR MG 1 52 GLU QG . . 4.140 3.867 3.488 4.266 0.126 5 0 "[ .]" 1
126 1 52 GLU H 1 52 GLU QG . . 3.540 2.779 2.471 3.289 . 0 0 "[ .]" 1
127 1 61 ILE QG 1 75 VAL QG . . 4.120 4.186 3.641 4.584 0.464 3 0 "[ .]" 1
128 1 64 LYS HA 1 66 LEU QD . . 3.920 4.299 4.007 4.658 0.738 3 1 "[ + .]" 1
129 1 65 ARG H 1 66 LEU QD . . 4.170 3.767 3.333 4.286 0.116 3 0 "[ .]" 1
130 1 66 LEU QB 1 67 TYR HA . . 5.320 4.051 3.991 4.087 . 0 0 "[ .]" 1
131 1 76 TYR QB 1 90 SER HA . . 4.400 5.093 4.695 5.260 0.860 4 4 "[* *+-]" 1
132 1 81 LEU QD 1 84 ASP HA . . 5.440 6.413 5.756 6.654 1.214 1 4 "[+* -*]" 1
133 1 94 LYS QB 1 96 HIS H . . 4.770 5.315 4.898 5.620 0.850 3 3 "[-*+ .]" 1
134 1 103 ILE H 1 104 TYR QB . . 4.880 4.355 4.313 4.499 . 0 0 "[ .]" 1
135 1 104 TYR QB 1 107 LEU QD . . 4.760 3.722 3.653 3.779 . 0 0 "[ .]" 1
136 1 105 ARG HA 1 105 ARG QG . . 2.880 2.591 2.343 2.715 . 0 0 "[ .]" 1
137 1 55 PHE HA 1 55 PHE QE . . 4.480 4.651 4.595 4.719 0.239 5 0 "[ .]" 1
138 1 19 ILE HA 1 19 ILE MD . . 4.000 3.934 3.918 3.946 . 0 0 "[ .]" 1
139 1 19 ILE MD 1 97 ARG HA . . 3.600 2.259 2.136 2.428 . 0 0 "[ .]" 1
140 1 19 ILE MD 1 101 THR HA . . 3.400 4.721 4.335 4.982 1.582 3 5 [**+*-] 1
141 1 19 ILE MD 1 100 TYR QB . . 3.200 1.986 1.914 2.023 . 0 0 "[ .]" 1
142 1 19 ILE MD 1 97 ARG QB . . 3.450 3.284 2.973 3.622 0.172 5 0 "[ .]" 1
143 1 19 ILE HA 1 19 ILE MG . . 2.560 2.408 2.390 2.420 . 0 0 "[ .]" 1
144 1 19 ILE HA 1 19 ILE QG . . 3.580 2.512 2.482 2.530 . 0 0 "[ .]" 1
145 1 20 PRO HA 1 21 ALA MB . . 5.310 4.236 4.215 4.261 . 0 0 "[ .]" 1
146 1 21 ALA MB 1 51 LYS QB . . 3.740 3.086 2.932 3.203 . 0 0 "[ .]" 1
147 1 20 PRO HD2 1 23 GLU HA . . 5.500 6.006 5.882 6.163 0.663 4 2 "[ - +.]" 1
148 1 20 PRO HA 1 23 GLU QB . . 4.430 5.790 5.629 6.060 1.630 4 5 [*-*+*] 1
149 1 23 GLU QB 1 24 GLN QB . . 4.510 4.143 4.040 4.196 . 0 0 "[ .]" 1
150 1 26 THR HB 1 109 VAL MG1 . . 4.330 2.889 2.521 3.402 . 0 0 "[ .]" 1
151 1 26 THR MG 1 109 VAL HA . . 3.000 3.257 2.863 3.697 0.697 2 2 "[-+ .]" 1
152 1 26 THR MG 1 27 LEU HA . . 4.910 4.284 4.240 4.309 . 0 0 "[ .]" 1
153 1 103 ILE MG 1 107 LEU HA . . 5.500 5.855 5.617 6.164 0.664 3 2 "[ + -]" 1
154 1 27 LEU HA 1 110 VAL HB . . 5.340 5.453 4.876 5.732 0.392 3 0 "[ .]" 1
155 1 37 LEU QD 1 81 LEU QD . . 2.460 1.959 1.839 2.029 . 0 0 "[ .]" 1
156 1 60 TYR QE 1 81 LEU QD . . 3.980 2.935 2.611 3.694 . 0 0 "[ .]" 1
157 1 27 LEU HA 1 28 VAL QG . . 4.070 3.318 3.264 3.386 . 0 0 "[ .]" 1
158 1 29 ARG HA 1 48 TYR QD . . 5.260 4.896 4.732 5.164 . 0 0 "[ .]" 1
159 1 33 LEU QD 1 35 LEU H . . 4.950 4.992 4.828 5.172 0.222 2 0 "[ .]" 1
160 1 33 LEU QD 1 82 LEU HA . . 5.440 5.435 5.051 5.991 0.551 1 1 "[+ .]" 1
161 1 33 LEU QD 1 84 ASP HA . . 5.440 4.788 4.423 5.112 . 0 0 "[ .]" 1
162 1 33 LEU HA 1 33 LEU HG . . 4.140 3.709 3.674 3.728 . 0 0 "[ .]" 1
163 1 33 LEU HA 1 36 LYS HA . . 4.790 5.116 5.026 5.259 0.469 4 0 "[ .]" 1
164 1 33 LEU HA 1 33 LEU HB2 . . 2.400 2.633 2.572 2.712 0.312 2 0 "[ .]" 1
165 1 33 LEU HB3 1 33 LEU QD . . 2.650 2.220 2.173 2.291 . 0 0 "[ .]" 1
166 1 33 LEU HB3 1 33 LEU HG . . 2.670 2.517 2.435 2.591 . 0 0 "[ .]" 1
167 1 33 LEU QD 1 34 LEU QB . . 3.710 4.591 4.367 4.845 1.135 2 5 [*+**-] 1
168 1 33 LEU QD 1 85 LEU QD . . 2.720 2.061 1.932 2.163 . 0 0 "[ .]" 1
169 1 33 LEU QD 1 36 LYS HD3 . . 3.790 2.361 2.125 2.589 . 0 0 "[ .]" 1
170 1 33 LEU QD 1 37 LEU QB . . 3.860 3.941 3.752 4.318 0.458 2 0 "[ .]" 1
171 1 33 LEU QD 1 84 ASP QB . . 3.300 2.630 2.142 2.905 . 0 0 "[ .]" 1
172 1 33 LEU HG 1 85 LEU QD . . 3.660 4.230 4.017 4.443 0.783 4 3 "[* +-]" 1
173 1 33 LEU HB2 1 85 LEU QD . . 5.100 5.044 4.570 5.286 0.186 4 0 "[ .]" 1
174 1 34 LEU HA 1 37 LEU QB . . 5.030 4.342 4.066 4.706 . 0 0 "[ .]" 1
175 1 34 LEU HA 1 85 LEU QD . . 3.170 2.436 2.091 2.761 . 0 0 "[ .]" 1
176 1 35 LEU HA 1 38 LEU H . . 4.700 3.562 3.432 3.816 . 0 0 "[ .]" 1
177 1 34 LEU HA 1 35 LEU HA . . 4.770 4.676 4.603 4.731 . 0 0 "[ .]" 1
178 1 35 LEU HA 1 38 LEU HG . . 3.520 2.878 2.432 3.139 . 0 0 "[ .]" 1
179 1 34 LEU QB 1 35 LEU QD . . 3.310 2.546 2.169 2.789 . 0 0 "[ .]" 1
180 1 33 LEU HA 1 36 LYS QB . . 2.520 2.412 2.260 2.557 0.037 4 0 "[ .]" 1
181 1 36 LYS HA 1 39 LYS HB3 . . 3.600 3.240 2.942 3.444 . 0 0 "[ .]" 1
182 1 33 LEU QD 1 36 LYS HD2 . . 3.790 2.577 2.157 3.550 . 0 0 "[ .]" 1
183 1 37 LEU QD 1 60 TYR QE . . 4.080 3.328 2.939 3.704 . 0 0 "[ .]" 1
184 1 33 LEU QD 1 37 LEU QD . . 4.170 4.267 3.983 4.615 0.445 2 0 "[ .]" 1
185 1 37 LEU QD 1 57 LEU QB . . 3.830 3.656 3.451 3.858 0.028 1 0 "[ .]" 1
186 1 37 LEU HA 1 37 LEU QD . . 3.340 2.884 2.110 3.098 . 0 0 "[ .]" 1
187 1 36 LYS HA 1 39 LYS HB2 . . 3.600 2.979 2.812 3.097 . 0 0 "[ .]" 1
188 1 37 LEU HA 1 38 LEU HA . . 4.880 4.752 4.719 4.769 . 0 0 "[ .]" 1
189 1 38 LEU HA 1 60 TYR QB . . 4.400 4.818 4.659 4.962 0.562 1 1 "[+ .]" 1
190 1 38 LEU QD 1 53 VAL HA . . 2.930 2.641 2.253 2.838 . 0 0 "[ .]" 1
191 1 82 LEU HA 1 82 LEU QD . . 3.190 2.043 2.032 2.059 . 0 0 "[ .]" 1
192 1 38 LEU HA 1 41 VAL QG . . 3.290 1.993 1.956 2.042 . 0 0 "[ .]" 1
193 1 39 LYS HA 1 43 ALA HA . . 4.240 5.112 4.961 5.416 1.176 3 5 [-*+**] 1
194 1 38 LEU QB 1 41 VAL QG . . 3.590 2.796 2.614 3.024 . 0 0 "[ .]" 1
195 1 41 VAL QG 1 43 ALA MB . . 3.390 3.389 3.179 3.485 0.095 2 0 "[ .]" 1
196 1 37 LEU QB 1 41 VAL QG . . 5.500 4.357 4.145 4.547 . 0 0 "[ .]" 1
197 1 41 VAL QG 1 57 LEU QB . . 4.090 5.149 4.779 5.361 1.271 5 5 [**-*+] 1
198 1 41 VAL QG 1 60 TYR QB . . 3.260 2.093 1.966 2.161 . 0 0 "[ .]" 1
199 1 41 VAL QG 1 57 LEU HA . . 3.320 3.867 3.432 4.101 0.781 5 3 "[ - *+]" 1
200 1 41 VAL QG 1 60 TYR HA . . 3.830 3.369 2.978 3.802 . 0 0 "[ .]" 1
201 1 41 VAL HA 1 60 TYR HA . . 5.100 6.006 5.594 6.192 1.092 2 4 "[*+ -*]" 1
202 1 41 VAL QG 1 58 GLY H . . 5.250 5.637 5.406 5.821 0.571 2 1 "[ + .]" 1
203 1 43 ALA HA 1 48 TYR QE . . 4.480 4.320 4.127 4.629 0.149 1 0 "[ .]" 1
204 1 43 ALA MB 1 56 TYR QD . . 3.630 3.623 2.995 3.935 0.305 3 0 "[ .]" 1
205 1 43 ALA MB 1 56 TYR HA . . 5.500 5.548 4.885 5.842 0.342 2 0 "[ .]" 1
206 1 38 LEU QB 1 43 ALA MB . . 3.300 2.772 2.685 2.866 . 0 0 "[ .]" 1
207 1 38 LEU QB 1 43 ALA HA . . 4.280 5.267 5.125 5.368 1.088 3 5 [*-+**] 1
208 1 38 LEU H 1 43 ALA MB . . 4.790 5.203 5.096 5.414 0.624 3 1 "[ + .]" 1
209 1 47 THR HA 1 48 TYR QD . . 4.410 4.182 4.125 4.255 . 0 0 "[ .]" 1
210 1 28 VAL HA 1 47 THR MG . . 4.410 5.698 5.343 5.929 1.519 2 5 [*+-**] 1
211 1 29 ARG HD3 1 47 THR MG . . 4.960 4.885 2.924 5.627 0.667 2 2 "[ +- .]" 1
212 1 46 ASP HB2 1 47 THR MG . . 5.250 3.912 3.282 4.607 . 0 0 "[ .]" 1
213 1 46 ASP HB3 1 47 THR MG . . 5.250 3.033 2.925 3.174 . 0 0 "[ .]" 1
214 1 29 ARG HD2 1 47 THR MG . . 4.960 4.339 2.114 5.619 0.659 3 1 "[ + .]" 1
215 1 48 TYR HA 1 52 GLU QB . . 4.250 4.166 3.961 4.380 0.130 2 0 "[ .]" 1
216 1 49 THR MG 1 51 LYS QB . . 4.150 4.610 4.349 5.339 1.189 4 1 "[ +.]" 1
217 1 49 THR MG 1 52 GLU QB . . 4.100 3.965 3.821 4.108 0.008 2 0 "[ .]" 1
218 1 48 TYR HA 1 49 THR MG . . 4.900 3.656 3.543 3.720 . 0 0 "[ .]" 1
219 1 50 MET HA 1 54 LEU QD . . 4.190 5.151 4.515 6.003 1.813 3 3 "[* + -]" 1
220 1 51 LYS HA 1 54 LEU H . . 4.290 4.081 3.821 4.311 0.021 3 0 "[ .]" 1
221 1 53 VAL HA 1 56 TYR QD . . 3.520 2.553 2.337 2.769 . 0 0 "[ .]" 1
222 1 53 VAL H 1 54 LEU QD . . 3.720 4.840 4.119 5.774 2.054 3 3 "[- + *]" 1
223 1 54 LEU QD 1 100 TYR QD . . 5.080 3.493 3.280 3.710 . 0 0 "[ .]" 1
224 1 54 LEU QD 1 55 PHE H . . 4.440 4.109 4.002 4.213 . 0 0 "[ .]" 1
225 1 24 GLN QB 1 54 LEU QD . . 4.390 4.949 4.722 5.324 0.934 3 2 "[ + -]" 1
226 1 54 LEU QD 1 103 ILE HB . . 4.030 3.926 3.758 4.132 0.102 3 0 "[ .]" 1
227 1 54 LEU HA 1 54 LEU QD . . 2.500 2.029 1.974 2.187 . 0 0 "[ .]" 1
228 1 54 LEU HA 1 57 LEU QB . . 3.430 2.866 2.744 3.085 . 0 0 "[ .]" 1
229 1 54 LEU HA 1 54 LEU HG . . 3.930 3.565 3.008 3.720 . 0 0 "[ .]" 1
230 1 57 LEU HA 1 60 TYR H . . 3.300 3.816 3.748 3.980 0.680 5 2 "[- +]" 1
231 1 61 ILE HA 1 61 ILE MD . . 3.880 3.953 3.771 4.206 0.326 3 0 "[ .]" 1
232 1 61 ILE MD 1 82 LEU HG . . 4.050 4.808 3.734 6.208 2.158 2 3 "[-+* .]" 1
233 1 61 ILE MD 1 82 LEU QB . . 5.500 5.922 4.980 7.053 1.553 2 2 "[ +- .]" 1
234 1 61 ILE MD 1 86 PHE QE . . 4.340 4.831 3.692 7.287 2.947 2 1 "[ + .]" 1
235 1 103 ILE HA 1 105 ARG H . . 4.300 3.928 3.777 4.072 . 0 0 "[ .]" 1
236 1 62 MET HA 1 67 TYR QD . . 3.890 3.389 2.825 4.032 0.142 1 0 "[ .]" 1
237 1 61 ILE MG 1 67 TYR QD . . 2.980 3.393 2.039 5.462 2.482 3 2 "[ -+ .]" 1
238 1 61 ILE MG 1 67 TYR H . . 3.170 4.012 2.786 5.609 2.439 3 2 "[ -+ .]" 1
239 1 41 VAL HA 1 63 THR MG . . 4.630 5.493 5.100 5.757 1.127 1 4 "[+** -]" 1
240 1 41 VAL HB 1 63 THR MG . . 3.930 4.602 4.360 5.001 1.071 3 4 "[**+ -]" 1
241 1 64 LYS HA 1 65 ARG HB2 . . 4.530 4.389 4.375 4.422 . 0 0 "[ .]" 1
242 1 77 CYS HA 1 82 LEU QB . . 4.260 4.260 3.810 4.468 0.208 2 0 "[ .]" 1
243 1 67 TYR HA 1 67 TYR QD . . 4.260 3.795 3.784 3.803 . 0 0 "[ .]" 1
244 1 74 ILE QG 1 74 ILE MG . . 2.590 2.252 2.214 2.287 . 0 0 "[ .]" 1
245 1 61 ILE HB 1 61 ILE MD . . 2.760 2.312 2.098 2.379 . 0 0 "[ .]" 1
246 1 74 ILE MD 1 91 PHE HB2 . . 5.500 5.617 5.116 6.069 0.569 3 1 "[ + .]" 1
247 1 74 ILE MD 1 91 PHE HB3 . . 5.500 5.455 4.955 5.973 0.473 3 0 "[ .]" 1
248 1 74 ILE MD 1 90 SER QB . . 4.260 2.214 2.029 2.447 . 0 0 "[ .]" 1
249 1 74 ILE MD 1 92 SER QB . . 3.710 5.209 4.901 5.624 1.914 3 5 [-*+**] 1
250 1 74 ILE MG 1 90 SER HA . . 4.480 5.200 4.980 5.707 1.227 5 4 "[ *-*+]" 1
251 1 74 ILE MG 1 75 VAL QG . . 4.690 4.368 4.197 4.557 . 0 0 "[ .]" 1
252 1 74 ILE QG 1 75 VAL QG . . 3.640 3.469 3.347 3.646 0.006 2 0 "[ .]" 1
253 1 75 VAL QG 1 93 VAL HB . . 4.650 2.466 2.219 2.853 . 0 0 "[ .]" 1
254 1 75 VAL QG 1 90 SER QB . . 5.340 4.508 4.030 4.990 . 0 0 "[ .]" 1
255 1 75 VAL HA 1 76 TYR QE . . 4.720 4.647 4.550 4.813 0.093 5 0 "[ .]" 1
256 1 76 TYR HA 1 90 SER QB . . 3.790 3.698 3.083 4.898 1.108 3 1 "[ + .]" 1
257 1 80 ASP HA 1 81 LEU QD . . 3.500 3.464 3.009 4.147 0.647 3 1 "[ + .]" 1
258 1 82 LEU QD 1 86 PHE QD . . 3.880 2.735 2.308 3.051 . 0 0 "[ .]" 1
259 1 61 ILE HG12 1 82 LEU QD . . 6.170 3.672 2.889 4.734 . 0 0 "[ .]" 1
260 1 33 LEU QD 1 85 LEU HA . . 3.030 3.050 2.770 3.526 0.496 2 0 "[ .]" 1
261 1 85 LEU HA 1 85 LEU QD . . 2.440 3.030 2.221 3.362 0.922 4 4 "[-* +*]" 1
262 1 85 LEU QB 1 85 LEU QD . . 2.910 1.922 1.905 1.936 . 0 0 "[ .]" 1
263 1 37 LEU QD 1 85 LEU QD . . 3.180 2.144 1.875 2.635 . 0 0 "[ .]" 1
264 1 37 LEU HG 1 85 LEU QD . . 3.980 3.634 2.172 4.133 0.153 2 0 "[ .]" 1
265 1 34 LEU QB 1 85 LEU QD . . 4.550 3.911 3.734 4.040 . 0 0 "[ .]" 1
266 1 85 LEU QD 1 106 ASN HB2 . . 5.500 4.947 4.831 5.092 . 0 0 "[ .]" 1
267 1 85 LEU QD 1 106 ASN HB3 . . 5.500 5.105 4.356 5.433 . 0 0 "[ .]" 1
268 1 82 LEU HA 1 85 LEU QD . . 4.190 2.594 2.255 3.133 . 0 0 "[ .]" 1
269 1 84 ASP QB 1 85 LEU QD . . 4.210 2.914 2.532 3.829 . 0 0 "[ .]" 1
270 1 84 ASP HA 1 85 LEU QD . . 5.410 4.780 4.451 5.344 . 0 0 "[ .]" 1
271 1 85 LEU QD 1 86 PHE QD . . 4.480 3.299 2.114 4.476 . 0 0 "[ .]" 1
272 1 86 PHE HA 1 86 PHE HB3 . . 2.900 2.510 2.432 2.703 . 0 0 "[ .]" 1
273 1 86 PHE HB3 1 88 VAL QG . . 3.690 2.458 2.192 2.684 . 0 0 "[ .]" 1
274 1 86 PHE HB2 1 88 VAL QG . . 3.320 2.916 2.419 3.530 0.210 2 0 "[ .]" 1
275 1 88 VAL HB 1 89 PRO HA . . 5.140 5.999 4.931 6.309 1.169 3 4 "[ *+-*]" 1
276 1 88 VAL QG 1 91 PHE HD1 . . 3.100 2.333 2.124 2.880 . 0 0 "[ .]" 1
277 1 88 VAL H 1 88 VAL QG . . 3.280 2.518 2.276 2.607 . 0 0 "[ .]" 1
278 1 91 PHE HA 1 91 PHE HB2 . . 2.980 2.518 2.445 2.644 . 0 0 "[ .]" 1
279 1 91 PHE HA 1 91 PHE HB3 . . 2.980 2.547 2.399 3.011 0.031 3 0 "[ .]" 1
280 1 74 ILE QG 1 92 SER HA . . 4.250 3.304 3.028 3.807 . 0 0 "[ .]" 1
281 1 75 VAL QG 1 93 VAL HA . . 4.530 3.667 3.194 3.961 . 0 0 "[ .]" 1
282 1 99 ILE HA 1 103 ILE MD . . 4.680 4.772 4.351 5.187 0.507 2 1 "[ + .]" 1
283 1 96 HIS HA 1 99 ILE HB . . 4.770 5.315 3.574 6.096 1.326 4 4 "[ -*+*]" 1
284 1 100 TYR HA 1 103 ILE H . . 4.140 3.388 3.309 3.424 . 0 0 "[ .]" 1
285 1 101 THR MG 1 104 TYR QD . . 4.390 4.292 4.115 4.543 0.153 2 0 "[ .]" 1
286 1 54 LEU QD 1 103 ILE MG . . 4.570 2.826 2.511 3.283 . 0 0 "[ .]" 1
287 1 35 LEU HA 1 103 ILE MG . . 5.500 6.143 5.940 6.379 0.879 4 3 "[- *+.]" 1
288 1 103 ILE MG 1 105 ARG H . . 5.010 4.871 4.786 4.945 . 0 0 "[ .]" 1
289 1 16 THR MG 1 19 ILE QG . . 3.980 5.539 3.978 6.303 2.323 5 4 "[* *-+]" 1
290 1 121 SER HA 1 122 VAL HB . . 4.750 4.657 4.452 4.780 0.030 1 0 "[ .]" 1
291 1 10 THR HB 1 11 ASP HA . . 5.010 4.388 4.242 4.569 . 0 0 "[ .]" 1
292 1 13 ALA HA 1 55 PHE HA . . 5.500 5.354 4.892 5.763 0.263 4 0 "[ .]" 1
293 1 13 ALA MB 1 55 PHE QE . . 5.130 4.860 4.747 5.033 . 0 0 "[ .]" 1
294 1 19 ILE MG 1 20 PRO HD2 . . 4.880 3.619 3.567 3.658 . 0 0 "[ .]" 1
295 1 19 ILE MG 1 101 THR HA . . 5.410 6.140 5.557 6.430 1.020 2 4 [-+**.] 1
296 1 19 ILE HA 1 20 PRO HD2 . . 3.630 2.273 2.204 2.339 . 0 0 "[ .]" 1
297 1 16 THR HB 1 19 ILE HA . . 4.680 6.199 5.369 6.674 1.994 2 5 [*+*-*] 1
298 1 61 ILE HA 1 66 LEU HA . . 5.370 5.592 5.114 6.077 0.707 3 1 "[ + .]" 1
299 1 19 ILE MG 1 24 GLN HG2 . . 3.990 2.310 2.174 2.455 . 0 0 "[ .]" 1
300 1 19 ILE MG 1 24 GLN HG3 . . 3.990 2.610 2.267 3.684 . 0 0 "[ .]" 1
301 1 19 ILE MG 1 23 GLU QB . . 3.500 2.926 2.686 3.264 . 0 0 "[ .]" 1
302 1 96 HIS HD2 1 99 ILE MG . . 5.500 5.966 5.283 6.695 1.195 4 2 "[ - +.]" 1
303 1 13 ALA MB 1 14 VAL HA . . 4.480 4.216 4.141 4.306 . 0 0 "[ .]" 1
304 1 20 PRO QB 1 21 ALA MB . . 4.030 3.676 3.653 3.704 . 0 0 "[ .]" 1
305 1 13 ALA MB 1 14 VAL HB . . 3.870 4.670 4.499 4.778 0.908 4 5 [**-+*] 1
306 1 13 ALA HA 1 14 VAL HB . . 3.530 4.344 4.135 4.769 1.239 5 5 [**-*+] 1
307 1 19 ILE MG 1 23 GLU HA . . 5.500 5.517 5.267 5.848 0.348 4 0 "[ .]" 1
308 1 19 ILE MG 1 24 GLN HA . . 5.050 4.756 4.586 4.817 . 0 0 "[ .]" 1
309 1 26 THR MG 1 109 VAL MG1 . . 3.210 2.449 2.133 2.700 . 0 0 "[ .]" 1
310 1 27 LEU HA 1 49 THR HB . . 3.060 4.345 4.040 4.693 1.633 2 5 [-+***] 1
311 1 28 VAL QG 1 108 VAL HA . . 5.500 5.066 4.960 5.185 . 0 0 "[ .]" 1
312 1 29 ARG HA 1 47 THR HB . . 4.240 4.469 4.268 4.713 0.473 3 0 "[ .]" 1
313 1 33 LEU QD 1 37 LEU HA . . 4.550 4.851 4.730 5.017 0.467 2 0 "[ .]" 1
314 1 34 LEU HA 1 34 LEU QD . . 2.520 2.044 2.010 2.092 . 0 0 "[ .]" 1
315 1 82 LEU HA 1 85 LEU HG . . 3.870 3.399 3.014 3.877 0.007 1 0 "[ .]" 1
316 1 39 LYS HA 1 41 VAL QG . . 4.490 4.436 4.347 4.491 0.001 1 0 "[ .]" 1
317 1 41 VAL QG 1 60 TYR QE . . 4.490 3.241 2.942 3.559 . 0 0 "[ .]" 1
318 1 43 ALA HA 1 56 TYR QE . . 4.990 4.098 3.427 4.751 . 0 0 "[ .]" 1
319 1 43 ALA MB 1 56 TYR QE . . 4.990 3.729 2.941 4.081 . 0 0 "[ .]" 1
320 1 43 ALA HA 1 45 LYS HB2 . . 4.890 4.921 4.726 5.082 0.192 1 0 "[ .]" 1
321 1 15 THR HA 1 15 THR MG . . 3.380 3.259 3.253 3.263 . 0 0 "[ .]" 1
322 1 28 VAL QG 1 49 THR HA . . 3.530 2.903 2.712 3.100 . 0 0 "[ .]" 1
323 1 50 MET HA 1 103 ILE MG . . 4.000 5.163 4.916 5.721 1.721 3 5 [-*+**] 1
324 1 13 ALA MB 1 51 LYS HA . . 5.500 5.831 5.220 6.330 0.830 4 2 "[ - +.]" 1
325 1 41 VAL QG 1 56 TYR HA . . 2.850 3.581 3.516 3.662 0.812 2 5 [*+*-*] 1
326 1 60 TYR HA 1 63 THR MG . . 2.950 2.198 2.111 2.276 . 0 0 "[ .]" 1
327 1 19 ILE QG 1 97 ARG HA . . 2.460 3.494 3.058 3.729 1.269 1 5 [+*-**] 1
328 1 41 VAL QG 1 59 GLN HA . . 5.500 5.607 5.287 5.953 0.453 1 0 "[ .]" 1
329 1 101 THR MG 1 105 ARG H . . 4.730 5.165 4.745 5.299 0.569 4 4 "[** +-]" 1
330 1 60 TYR QB 1 63 THR MG . . 4.310 3.991 3.881 4.076 . 0 0 "[ .]" 1
331 1 74 ILE MG 1 75 VAL HA . . 3.770 3.974 3.886 4.176 0.406 4 0 "[ .]" 1
332 1 74 ILE MG 1 76 TYR QE . . 4.850 2.974 2.661 3.463 . 0 0 "[ .]" 1
333 1 74 ILE MD 1 76 TYR QE . . 5.360 4.397 3.800 5.054 . 0 0 "[ .]" 1
334 1 76 TYR HA 1 76 TYR QE . . 5.500 4.682 4.619 4.770 . 0 0 "[ .]" 1
335 1 80 ASP HA 1 82 LEU QB . . 5.350 5.358 5.228 5.463 0.113 2 0 "[ .]" 1
336 1 80 ASP HA 1 81 LEU HB3 . . 4.770 4.878 4.693 5.103 0.333 2 0 "[ .]" 1
337 1 33 LEU HA 1 33 LEU QD . . 2.440 2.046 2.023 2.080 . 0 0 "[ .]" 1
338 1 81 LEU HA 1 85 LEU QD . . 4.730 4.577 4.057 5.504 0.774 3 1 "[ + .]" 1
339 1 81 LEU HA 1 84 ASP QB . . 3.970 3.071 2.635 3.912 . 0 0 "[ .]" 1
340 1 35 LEU HA 1 85 LEU QD . . 5.070 5.183 4.848 5.686 0.616 4 1 "[ +.]" 1
341 1 86 PHE QD 1 88 VAL QG . . 5.020 3.495 2.885 3.984 . 0 0 "[ .]" 1
342 1 75 VAL QG 1 90 SER HA . . 5.440 3.773 3.233 4.139 . 0 0 "[ .]" 1
343 1 88 VAL QG 1 90 SER HA . . 5.260 4.021 3.833 4.363 . 0 0 "[ .]" 1
344 1 88 VAL QG 1 91 PHE HA . . 4.930 3.462 3.111 3.799 . 0 0 "[ .]" 1
345 1 91 PHE HA 1 91 PHE HD1 . . 4.180 3.801 2.367 4.198 0.018 1 0 "[ .]" 1
346 1 90 SER H 1 91 PHE HA . . 4.780 5.072 4.966 5.229 0.449 3 0 "[ .]" 1
347 1 19 ILE HA 1 20 PRO QG . . 4.370 4.053 4.018 4.079 . 0 0 "[ .]" 1
348 1 93 VAL HB 1 94 LYS HA . . 5.500 5.727 5.689 5.786 0.286 4 0 "[ .]" 1
349 1 101 THR HA 1 101 THR MG . . 2.550 2.360 2.330 2.405 . 0 0 "[ .]" 1
350 1 101 THR HA 1 104 TYR HA . . 5.500 5.624 5.351 5.910 0.410 2 0 "[ .]" 1
351 1 103 ILE HA 1 103 ILE MD . . 4.310 3.919 3.898 3.948 . 0 0 "[ .]" 1
352 1 103 ILE MG 1 104 TYR HA . . 4.380 3.651 3.556 3.790 . 0 0 "[ .]" 1
353 1 103 ILE HB 1 104 TYR HA . . 4.410 4.481 4.430 4.566 0.156 1 0 "[ .]" 1
354 1 107 LEU HA 1 107 LEU QB . . 2.770 2.149 2.144 2.153 . 0 0 "[ .]" 1
355 1 29 ARG QB 1 108 VAL HB . . 5.130 4.688 4.283 5.009 . 0 0 "[ .]" 1
356 1 61 ILE H 1 62 MET H . . 3.650 2.588 2.540 2.628 . 0 0 "[ .]" 1
357 1 22 SER H 1 25 GLU H . . 4.880 6.810 6.506 7.015 2.135 3 5 [-*+**] 1
358 1 24 GLN H 1 25 GLU H . . 3.870 3.839 3.658 3.984 0.114 3 0 "[ .]" 1
359 1 33 LEU H 1 34 LEU H . . 3.980 2.578 2.450 2.701 . 0 0 "[ .]" 1
360 1 34 LEU H 1 35 LEU H . . 3.750 3.014 2.842 3.160 . 0 0 "[ .]" 1
361 1 39 LYS H 1 40 SER H . . 3.210 2.596 2.541 2.638 . 0 0 "[ .]" 1
362 1 40 SER H 1 41 VAL H . . 3.870 2.358 2.260 2.448 . 0 0 "[ .]" 1
363 1 39 LYS H 1 43 ALA H . . 4.910 5.695 5.534 5.868 0.958 3 5 [-*+**] 1
364 1 44 GLN H 1 45 LYS H . . 3.360 2.860 2.454 3.779 0.419 1 0 "[ .]" 1
365 1 46 ASP H 1 47 THR H . . 3.650 2.614 2.519 2.730 . 0 0 "[ .]" 1
366 1 48 TYR H 1 49 THR H . . 4.390 4.517 4.490 4.539 0.149 3 0 "[ .]" 1
367 1 50 MET H 1 51 LYS H . . 4.380 2.678 2.613 2.757 . 0 0 "[ .]" 1
368 1 51 LYS H 1 52 GLU H . . 2.550 2.407 2.341 2.536 . 0 0 "[ .]" 1
369 1 52 GLU H 1 53 VAL H . . 3.780 2.548 2.451 2.592 . 0 0 "[ .]" 1
370 1 54 LEU H 1 55 PHE H . . 2.430 2.538 2.480 2.574 0.144 4 0 "[ .]" 1
371 1 57 LEU H 1 58 GLY H . . 3.900 2.621 2.585 2.654 . 0 0 "[ .]" 1
372 1 59 GLN H 1 60 TYR H . . 3.960 2.663 2.621 2.703 . 0 0 "[ .]" 1
373 1 60 TYR H 1 61 ILE H . . 3.550 2.614 2.581 2.647 . 0 0 "[ .]" 1
374 1 64 LYS H 1 65 ARG H . . 3.280 2.573 2.535 2.613 . 0 0 "[ .]" 1
375 1 66 LEU H 1 67 TYR H . . 3.860 2.184 2.057 2.240 . 0 0 "[ .]" 1
376 1 69 GLU H 1 70 LYS H . . 3.420 4.349 4.201 4.421 1.001 1 5 [+*-**] 1
377 1 71 GLN H 1 72 GLN H . . 4.210 3.236 2.424 4.239 0.029 2 0 "[ .]" 1
378 1 76 TYR H 1 77 CYS H . . 5.190 4.521 4.500 4.564 . 0 0 "[ .]" 1
379 1 81 LEU H 1 82 LEU H . . 4.520 2.781 2.672 2.852 . 0 0 "[ .]" 1
380 1 83 GLY H 1 84 ASP H . . 3.930 2.813 2.717 3.006 . 0 0 "[ .]" 1
381 1 84 ASP H 1 85 LEU H . . 3.730 2.394 2.062 2.636 . 0 0 "[ .]" 1
382 1 85 LEU H 1 86 PHE H . . 4.060 2.550 2.365 2.686 . 0 0 "[ .]" 1
383 1 91 PHE H 1 92 SER H . . 4.630 4.474 4.442 4.517 . 0 0 "[ .]" 1
384 1 92 SER H 1 93 VAL H . . 5.220 4.568 4.398 4.668 . 0 0 "[ .]" 1
385 1 96 HIS H 1 97 ARG H . . 4.120 2.561 2.422 2.738 . 0 0 "[ .]" 1
386 1 97 ARG H 1 98 LYS H . . 3.920 2.669 2.587 2.800 . 0 0 "[ .]" 1
387 1 99 ILE H 1 100 TYR H . . 3.930 2.548 2.360 2.658 . 0 0 "[ .]" 1
388 1 102 MET H 1 103 ILE H . . 4.050 2.579 2.533 2.613 . 0 0 "[ .]" 1
389 1 104 TYR H 1 105 ARG H . . 3.950 2.657 2.649 2.669 . 0 0 "[ .]" 1
390 1 105 ARG H 1 106 ASN H . . 3.940 2.421 2.239 2.843 . 0 0 "[ .]" 1
391 1 109 VAL H 1 110 VAL H . . 4.620 4.544 4.500 4.629 0.009 4 0 "[ .]" 1
392 1 110 VAL H 1 111 ASN H . . 4.810 2.486 2.399 2.590 . 0 0 "[ .]" 1
393 1 111 ASN H 1 112 GLN H . . 4.300 4.320 4.261 4.415 0.115 1 0 "[ .]" 1
394 1 119 GLY H 1 120 THR H . . 4.710 3.903 2.933 4.657 . 0 0 "[ .]" 1
395 1 120 THR H 1 121 SER H . . 4.810 4.414 4.081 4.582 . 0 0 "[ .]" 1
396 1 23 GLU H 1 25 GLU H . . 4.730 5.373 5.102 5.553 0.823 3 4 "[ *+-*]" 1
397 1 24 GLN H 1 25 GLU QB . . 4.790 4.561 4.326 4.773 . 0 0 "[ .]" 1
398 1 25 GLU H 1 25 GLU QB . . 3.650 2.952 2.492 3.281 . 0 0 "[ .]" 1
399 1 26 THR H 1 51 LYS QB . . 5.500 5.325 5.058 5.730 0.230 4 0 "[ .]" 1
400 1 24 GLN QB 1 26 THR H . . 4.390 4.407 4.251 4.468 0.078 5 0 "[ .]" 1
401 1 65 ARG HA 1 67 TYR H . . 3.840 3.879 3.792 4.040 0.200 3 0 "[ .]" 1
402 1 26 THR H 1 26 THR HB . . 3.450 2.813 2.703 2.916 . 0 0 "[ .]" 1
403 1 26 THR H 1 50 MET H . . 4.560 3.027 2.684 3.300 . 0 0 "[ .]" 1
404 1 26 THR MG 1 27 LEU H . . 3.600 2.331 2.215 2.454 . 0 0 "[ .]" 1
405 1 27 LEU H 1 110 VAL HB . . 4.780 3.696 3.167 3.958 . 0 0 "[ .]" 1
406 1 26 THR HA 1 27 LEU H . . 3.180 2.280 2.259 2.312 . 0 0 "[ .]" 1
407 1 27 LEU H 1 49 THR HA . . 4.880 4.966 4.785 5.325 0.445 2 0 "[ .]" 1
408 1 27 LEU H 1 50 MET H . . 4.910 5.213 5.030 5.573 0.663 2 1 "[ + .]" 1
409 1 28 VAL H 1 28 VAL QG . . 3.510 2.188 2.132 2.234 . 0 0 "[ .]" 1
410 1 26 THR MG 1 28 VAL H . . 4.930 5.172 5.022 5.251 0.321 5 0 "[ .]" 1
411 1 27 LEU HB2 1 28 VAL H . . 4.410 4.225 4.030 4.420 0.010 2 0 "[ .]" 1
412 1 27 LEU HB3 1 28 VAL H . . 4.410 3.335 2.788 3.978 . 0 0 "[ .]" 1
413 1 28 VAL H 1 48 TYR QB . . 5.290 4.306 4.029 4.524 . 0 0 "[ .]" 1
414 1 28 VAL H 1 47 THR HB . . 4.580 4.169 3.887 4.459 . 0 0 "[ .]" 1
415 1 28 VAL H 1 109 VAL HA . . 5.440 5.517 5.049 5.957 0.517 4 1 "[ +.]" 1
416 1 28 VAL H 1 49 THR HB . . 4.590 5.578 5.316 5.766 1.176 4 5 [-**+*] 1
417 1 27 LEU HA 1 28 VAL H . . 3.480 2.262 2.215 2.307 . 0 0 "[ .]" 1
418 1 28 VAL H 1 49 THR HA . . 4.220 3.085 2.876 3.258 . 0 0 "[ .]" 1
419 1 27 LEU H 1 28 VAL H . . 4.950 4.630 4.584 4.656 . 0 0 "[ .]" 1
420 1 28 VAL H 1 50 MET H . . 4.700 4.812 4.506 5.014 0.314 4 0 "[ .]" 1
421 1 29 ARG H 1 29 ARG QB . . 3.290 2.500 2.461 2.593 . 0 0 "[ .]" 1
422 1 28 VAL HA 1 29 ARG H . . 3.470 2.283 2.236 2.311 . 0 0 "[ .]" 1
423 1 29 ARG H 1 108 VAL H . . 4.580 4.336 4.192 4.519 . 0 0 "[ .]" 1
424 1 28 VAL H 1 29 ARG H . . 5.220 4.502 4.426 4.547 . 0 0 "[ .]" 1
425 1 33 LEU H 1 33 LEU QD . . 3.360 3.656 3.535 3.727 0.367 5 0 "[ .]" 1
426 1 33 LEU H 1 33 LEU HB2 . . 3.230 2.322 2.251 2.410 . 0 0 "[ .]" 1
427 1 33 LEU H 1 36 LYS H . . 5.140 5.292 5.126 5.503 0.363 2 0 "[ .]" 1
428 1 33 LEU H 1 35 LEU H . . 5.010 4.761 4.569 4.880 . 0 0 "[ .]" 1
429 1 34 LEU H 1 85 LEU QD . . 4.480 4.333 3.834 4.625 0.145 4 0 "[ .]" 1
430 1 33 LEU QD 1 34 LEU H . . 4.550 3.787 3.578 3.991 . 0 0 "[ .]" 1
431 1 34 LEU H 1 34 LEU QB . . 3.510 2.153 2.129 2.186 . 0 0 "[ .]" 1
432 1 33 LEU HB3 1 34 LEU H . . 3.600 2.959 2.799 3.126 . 0 0 "[ .]" 1
433 1 33 LEU HB2 1 34 LEU H . . 4.380 3.860 3.808 3.975 . 0 0 "[ .]" 1
434 1 34 LEU H 1 34 LEU HA . . 2.800 2.784 2.756 2.813 0.013 4 0 "[ .]" 1
435 1 34 LEU H 1 36 LYS H . . 4.600 4.119 4.078 4.188 . 0 0 "[ .]" 1
436 1 35 LEU H 1 35 LEU QD . . 4.050 1.843 1.745 2.180 . 0 0 "[ .]" 1
437 1 35 LEU H 1 35 LEU QB . . 3.250 2.802 2.353 2.980 . 0 0 "[ .]" 1
438 1 34 LEU QB 1 35 LEU H . . 4.250 2.438 2.347 2.603 . 0 0 "[ .]" 1
439 1 35 LEU H 1 35 LEU HG . . 4.290 3.857 3.760 4.073 . 0 0 "[ .]" 1
440 1 33 LEU QD 1 36 LYS H . . 3.500 3.777 3.689 3.870 0.370 2 0 "[ .]" 1
441 1 35 LEU QD 1 36 LYS H . . 4.350 2.874 2.299 4.025 . 0 0 "[ .]" 1
442 1 35 LEU QB 1 36 LYS H . . 3.830 3.825 3.287 4.069 0.239 2 0 "[ .]" 1
443 1 36 LYS H 1 36 LYS QB . . 3.310 2.209 2.167 2.238 . 0 0 "[ .]" 1
444 1 34 LEU HA 1 36 LYS H . . 4.460 3.988 3.884 4.065 . 0 0 "[ .]" 1
445 1 33 LEU HA 1 36 LYS H . . 4.400 3.565 3.437 3.773 . 0 0 "[ .]" 1
446 1 36 LYS H 1 38 LEU H . . 4.750 4.496 4.271 4.654 . 0 0 "[ .]" 1
447 1 35 LEU H 1 36 LYS H . . 3.990 2.759 2.654 2.904 . 0 0 "[ .]" 1
448 1 37 LEU H 1 37 LEU QD . . 4.350 3.769 3.718 3.802 . 0 0 "[ .]" 1
449 1 37 LEU H 1 85 LEU QD . . 3.730 3.731 3.398 3.957 0.227 4 0 "[ .]" 1
450 1 33 LEU QD 1 37 LEU H . . 3.410 4.079 3.947 4.346 0.936 2 5 [*+**-] 1
451 1 37 LEU H 1 37 LEU QB . . 3.240 2.240 2.227 2.261 . 0 0 "[ .]" 1
452 1 36 LYS QB 1 37 LEU H . . 3.700 3.048 2.983 3.133 . 0 0 "[ .]" 1
453 1 34 LEU HA 1 37 LEU H . . 4.450 4.416 4.192 4.717 0.267 2 0 "[ .]" 1
454 1 33 LEU HA 1 37 LEU H . . 5.200 5.292 5.211 5.436 0.236 2 0 "[ .]" 1
455 1 37 LEU H 1 38 LEU HA . . 5.320 5.314 5.267 5.352 0.032 5 0 "[ .]" 1
456 1 35 LEU H 1 37 LEU H . . 4.970 4.648 4.553 4.765 . 0 0 "[ .]" 1
457 1 54 LEU H 1 54 LEU QB . . 3.530 2.180 2.107 2.303 . 0 0 "[ .]" 1
458 1 37 LEU QB 1 38 LEU H . . 3.930 2.440 2.340 2.524 . 0 0 "[ .]" 1
459 1 38 LEU H 1 38 LEU HG . . 3.790 2.208 2.140 2.340 . 0 0 "[ .]" 1
460 1 37 LEU H 1 38 LEU H . . 3.890 2.702 2.641 2.743 . 0 0 "[ .]" 1
461 1 40 SER H 1 41 VAL QG . . 4.850 3.370 3.228 3.447 . 0 0 "[ .]" 1
462 1 39 LYS HB2 1 40 SER H . . 4.510 4.081 4.001 4.143 . 0 0 "[ .]" 1
463 1 39 LYS HB3 1 40 SER H . . 4.510 3.121 3.071 3.180 . 0 0 "[ .]" 1
464 1 38 LEU HA 1 40 SER H . . 4.450 3.791 3.686 3.922 . 0 0 "[ .]" 1
465 1 37 LEU HA 1 40 SER H . . 4.540 4.140 3.989 4.398 . 0 0 "[ .]" 1
466 1 38 LEU H 1 40 SER H . . 4.510 4.499 4.359 4.645 0.135 5 0 "[ .]" 1
467 1 39 LYS H 1 41 VAL H . . 3.990 4.165 4.015 4.343 0.353 4 0 "[ .]" 1
468 1 38 LEU HA 1 41 VAL H . . 3.570 3.163 2.997 3.407 . 0 0 "[ .]" 1
469 1 41 VAL H 1 57 LEU HA . . 5.500 7.218 6.957 7.420 1.920 5 5 [**-*+] 1
470 1 41 VAL H 1 42 GLY HA2 . . 5.000 5.046 4.889 5.151 0.151 4 0 "[ .]" 1
471 1 41 VAL H 1 41 VAL QG . . 3.620 1.992 1.947 2.018 . 0 0 "[ .]" 1
472 1 42 GLY H 1 43 ALA MB . . 4.640 3.483 3.438 3.604 . 0 0 "[ .]" 1
473 1 41 VAL QG 1 42 GLY H . . 4.210 2.268 2.151 2.607 . 0 0 "[ .]" 1
474 1 41 VAL HB 1 42 GLY H . . 4.540 3.914 3.735 4.230 . 0 0 "[ .]" 1
475 1 39 LYS HA 1 42 GLY H . . 3.600 4.302 4.275 4.331 0.731 3 5 [**+-*] 1
476 1 40 SER H 1 42 GLY H . . 4.590 4.266 4.146 4.353 . 0 0 "[ .]" 1
477 1 39 LYS H 1 42 GLY H . . 5.000 5.396 5.343 5.512 0.512 3 1 "[ + .]" 1
478 1 41 VAL H 1 42 GLY H . . 3.490 2.665 2.505 2.806 . 0 0 "[ .]" 1
479 1 43 ALA H 1 43 ALA MB . . 3.300 2.551 2.496 2.656 . 0 0 "[ .]" 1
480 1 41 VAL QG 1 43 ALA H . . 3.970 3.870 3.787 3.962 . 0 0 "[ .]" 1
481 1 39 LYS HA 1 43 ALA H . . 3.700 3.461 3.357 3.657 . 0 0 "[ .]" 1
482 1 41 VAL HA 1 43 ALA H . . 5.020 5.765 5.678 5.828 0.808 4 5 [-**+*] 1
483 1 42 GLY H 1 43 ALA H . . 2.620 2.374 2.283 2.484 . 0 0 "[ .]" 1
484 1 47 THR H 1 47 THR MG . . 3.840 3.136 3.037 3.262 . 0 0 "[ .]" 1
485 1 45 LYS HB3 1 47 THR H . . 3.300 3.140 3.062 3.216 . 0 0 "[ .]" 1
486 1 47 THR H 1 47 THR HB . . 3.870 3.807 3.776 3.858 . 0 0 "[ .]" 1
487 1 47 THR MG 1 48 TYR H . . 4.150 3.836 3.783 3.916 . 0 0 "[ .]" 1
488 1 38 LEU QB 1 57 LEU H . . 3.210 3.887 3.794 3.965 0.755 5 5 [*-**+] 1
489 1 57 LEU H 1 57 LEU QB . . 2.400 2.135 2.129 2.142 . 0 0 "[ .]" 1
490 1 57 LEU H 1 57 LEU HA . . 2.900 2.860 2.852 2.872 . 0 0 "[ .]" 1
491 1 47 THR HA 1 48 TYR H . . 3.430 2.210 2.188 2.244 . 0 0 "[ .]" 1
492 1 29 ARG HA 1 48 TYR H . . 4.270 4.145 4.033 4.403 0.133 3 0 "[ .]" 1
493 1 56 TYR H 1 57 LEU H . . 3.940 2.616 2.503 2.694 . 0 0 "[ .]" 1
494 1 28 VAL H 1 48 TYR H . . 4.240 3.653 3.436 3.906 . 0 0 "[ .]" 1
495 1 49 THR H 1 49 THR MG . . 3.830 2.952 2.826 3.019 . 0 0 "[ .]" 1
496 1 49 THR H 1 52 GLU QB . . 3.330 2.497 2.209 2.684 . 0 0 "[ .]" 1
497 1 48 TYR QB 1 49 THR H . . 3.730 2.370 2.337 2.415 . 0 0 "[ .]" 1
498 1 28 VAL QG 1 50 MET H . . 4.190 3.431 3.186 3.585 . 0 0 "[ .]" 1
499 1 26 THR MG 1 50 MET H . . 4.080 5.270 4.969 5.602 1.522 2 5 [*+-**] 1
500 1 24 GLN QB 1 50 MET H . . 5.050 5.094 4.951 5.292 0.242 1 0 "[ .]" 1
501 1 26 THR HB 1 50 MET H . . 5.000 4.484 4.142 4.750 . 0 0 "[ .]" 1
502 1 49 THR HB 1 50 MET H . . 3.700 2.418 2.332 2.570 . 0 0 "[ .]" 1
503 1 27 LEU HA 1 50 MET H . . 4.690 3.893 3.653 4.236 . 0 0 "[ .]" 1
504 1 49 THR H 1 50 MET H . . 5.140 4.540 4.521 4.559 . 0 0 "[ .]" 1
505 1 49 THR MG 1 51 LYS H . . 3.700 4.245 4.170 4.351 0.651 1 3 "[+ *-.]" 1
506 1 51 LYS H 1 51 LYS QB . . 2.910 2.396 2.263 2.795 . 0 0 "[ .]" 1
507 1 24 GLN QB 1 51 LYS H . . 3.910 4.499 4.172 4.686 0.776 5 4 "[**- +]" 1
508 1 25 GLU HA 1 51 LYS H . . 4.290 4.230 3.836 4.455 0.165 2 0 "[ .]" 1
509 1 49 THR HA 1 51 LYS H . . 4.960 4.263 4.219 4.332 . 0 0 "[ .]" 1
510 1 51 LYS QB 1 53 VAL H . . 4.930 4.827 4.674 5.094 0.164 4 0 "[ .]" 1
511 1 48 TYR QB 1 53 VAL H . . 3.920 4.159 3.877 4.456 0.536 2 1 "[ + .]" 1
512 1 51 LYS H 1 53 VAL H . . 5.060 3.879 3.739 4.078 . 0 0 "[ .]" 1
513 1 49 THR H 1 53 VAL H . . 4.770 4.006 3.521 4.440 . 0 0 "[ .]" 1
514 1 54 LEU H 1 54 LEU HA . . 2.930 2.879 2.866 2.892 . 0 0 "[ .]" 1
515 1 52 GLU H 1 54 LEU H . . 5.240 4.365 4.236 4.516 . 0 0 "[ .]" 1
516 1 53 VAL H 1 54 LEU H . . 3.340 2.769 2.690 2.830 . 0 0 "[ .]" 1
517 1 74 ILE H 1 74 ILE QG . . 4.730 4.206 4.184 4.241 . 0 0 "[ .]" 1
518 1 54 LEU QB 1 55 PHE H . . 4.290 2.925 2.846 3.035 . 0 0 "[ .]" 1
519 1 52 GLU QB 1 55 PHE H . . 5.500 4.701 4.625 4.866 . 0 0 "[ .]" 1
520 1 55 PHE H 1 55 PHE QB . . 3.420 2.268 2.236 2.293 . 0 0 "[ .]" 1
521 1 52 GLU HA 1 55 PHE H . . 3.160 3.329 3.271 3.445 0.285 5 0 "[ .]" 1
522 1 41 VAL QG 1 56 TYR H . . 4.350 5.315 5.059 5.425 1.075 2 5 [*+-**] 1
523 1 55 PHE QB 1 56 TYR H . . 3.480 2.665 2.594 2.733 . 0 0 "[ .]" 1
524 1 56 TYR H 1 56 TYR HA . . 2.910 2.864 2.846 2.891 . 0 0 "[ .]" 1
525 1 52 GLU HA 1 56 TYR H . . 4.790 4.686 4.527 4.813 0.023 5 0 "[ .]" 1
526 1 56 TYR H 1 56 TYR QD . . 3.570 2.935 2.769 3.008 . 0 0 "[ .]" 1
527 1 55 PHE H 1 56 TYR H . . 3.320 2.708 2.652 2.747 . 0 0 "[ .]" 1
528 1 54 LEU QD 1 58 GLY H . . 4.510 4.151 3.877 4.296 . 0 0 "[ .]" 1
529 1 57 LEU QD 1 58 GLY H . . 2.840 3.937 3.873 4.060 1.220 1 5 [+-***] 1
530 1 54 LEU QB 1 58 GLY H . . 4.330 5.068 4.658 5.421 1.091 3 3 "[- + *]" 1
531 1 57 LEU QB 1 58 GLY H . . 3.700 2.772 2.675 2.884 . 0 0 "[ .]" 1
532 1 56 TYR H 1 58 GLY H . . 4.990 4.193 4.115 4.285 . 0 0 "[ .]" 1
533 1 60 TYR H 1 61 ILE MD . . 5.230 5.140 4.805 5.625 0.395 2 0 "[ .]" 1
534 1 41 VAL QG 1 60 TYR H . . 4.080 3.627 3.407 3.851 . 0 0 "[ .]" 1
535 1 60 TYR H 1 60 TYR QB . . 2.400 2.260 2.239 2.274 . 0 0 "[ .]" 1
536 1 61 ILE H 1 61 ILE MD . . 3.910 3.585 3.338 3.896 . 0 0 "[ .]" 1
537 1 61 ILE H 1 82 LEU HG . . 5.500 6.430 6.047 6.871 1.371 1 5 [+*-**] 1
538 1 61 ILE H 1 63 THR MG . . 5.350 4.461 4.323 4.575 . 0 0 "[ .]" 1
539 1 61 ILE H 1 61 ILE HA . . 2.840 2.872 2.859 2.882 0.042 4 0 "[ .]" 1
540 1 60 TYR QB 1 61 ILE H . . 2.540 2.714 2.621 2.864 0.324 4 0 "[ .]" 1
541 1 61 ILE MG 1 62 MET H . . 3.900 3.933 3.768 4.233 0.333 3 0 "[ .]" 1
542 1 62 MET H 1 63 THR MG . . 4.950 3.882 3.761 3.951 . 0 0 "[ .]" 1
543 1 61 ILE HB 1 62 MET H . . 3.610 3.477 2.970 4.174 0.564 3 1 "[ + .]" 1
544 1 59 GLN HA 1 62 MET H . . 4.820 3.543 3.425 3.768 . 0 0 "[ .]" 1
545 1 62 MET H 1 63 THR HB . . 5.210 4.886 4.856 4.948 . 0 0 "[ .]" 1
546 1 62 MET H 1 67 TYR QD . . 5.370 5.064 4.861 5.487 0.117 1 0 "[ .]" 1
547 1 64 LYS H 1 64 LYS HB3 . . 3.930 3.579 3.334 3.659 . 0 0 "[ .]" 1
548 1 64 LYS H 1 64 LYS HB2 . . 3.930 2.395 2.202 2.480 . 0 0 "[ .]" 1
549 1 61 ILE HA 1 64 LYS H . . 4.690 4.047 3.858 4.253 . 0 0 "[ .]" 1
550 1 60 TYR HA 1 64 LYS H . . 5.000 4.062 3.727 4.513 . 0 0 "[ .]" 1
551 1 62 MET HA 1 64 LYS H . . 4.970 4.549 4.312 4.782 . 0 0 "[ .]" 1
552 1 65 ARG H 1 65 ARG HB2 . . 3.620 3.591 3.574 3.612 . 0 0 "[ .]" 1
553 1 65 ARG H 1 65 ARG HB3 . . 4.040 4.102 4.090 4.121 0.081 1 0 "[ .]" 1
554 1 61 ILE HA 1 65 ARG H . . 5.000 4.771 4.563 5.030 0.030 3 0 "[ .]" 1
555 1 64 LYS HA 1 65 ARG H . . 3.420 3.392 3.363 3.429 0.009 1 0 "[ .]" 1
556 1 62 MET HA 1 65 ARG H . . 4.220 3.781 3.584 3.937 . 0 0 "[ .]" 1
557 1 65 ARG H 1 67 TYR H . . 4.950 5.136 4.996 5.228 0.278 4 0 "[ .]" 1
558 1 63 THR H 1 65 ARG H . . 4.120 4.070 4.009 4.160 0.040 3 0 "[ .]" 1
559 1 65 ARG H 1 66 LEU H . . 3.590 3.134 2.999 3.321 . 0 0 "[ .]" 1
560 1 64 LYS HA 1 66 LEU H . . 5.310 5.952 5.747 6.181 0.871 4 4 "[* *+-]" 1
561 1 61 ILE HA 1 66 LEU H . . 4.200 4.213 3.617 4.749 0.549 3 1 "[ + .]" 1
562 1 61 ILE MG 1 66 LEU H . . 3.030 4.202 3.251 5.623 2.593 3 2 "[ -+ .]" 1
563 1 74 ILE H 1 74 ILE HB . . 3.580 3.132 3.077 3.175 . 0 0 "[ .]" 1
564 1 13 ALA MB 1 55 PHE H . . 4.820 5.909 5.231 6.477 1.657 4 4 [**-+.] 1
565 1 74 ILE H 1 74 ILE MG . . 4.100 2.399 2.324 2.604 . 0 0 "[ .]" 1
566 1 74 ILE H 1 74 ILE MD . . 5.200 4.838 4.785 4.923 . 0 0 "[ .]" 1
567 1 74 ILE H 1 75 VAL H . . 4.660 4.440 4.398 4.482 . 0 0 "[ .]" 1
568 1 74 ILE HA 1 75 VAL H . . 3.490 2.290 2.272 2.325 . 0 0 "[ .]" 1
569 1 74 ILE MG 1 75 VAL H . . 3.060 3.611 3.495 3.755 0.695 4 3 "[ - +*]" 1
570 1 74 ILE MD 1 75 VAL H . . 5.070 4.009 3.921 4.070 . 0 0 "[ .]" 1
571 1 74 ILE QG 1 75 VAL H . . 2.650 2.321 2.233 2.387 . 0 0 "[ .]" 1
572 1 75 VAL H 1 91 PHE H . . 3.810 3.242 3.178 3.366 . 0 0 "[ .]" 1
573 1 76 TYR H 1 76 TYR QD . . 4.210 2.905 2.668 3.104 . 0 0 "[ .]" 1
574 1 75 VAL HA 1 76 TYR H . . 3.460 2.349 2.230 2.499 . 0 0 "[ .]" 1
575 1 76 TYR H 1 76 TYR QB . . 3.530 2.573 2.511 2.611 . 0 0 "[ .]" 1
576 1 74 ILE MG 1 76 TYR H . . 5.290 5.086 4.786 5.505 0.215 4 0 "[ .]" 1
577 1 79 ASN H 1 80 ASP H . . 3.610 3.009 2.898 3.099 . 0 0 "[ .]" 1
578 1 80 ASP H 1 82 LEU H . . 5.040 4.182 3.763 4.683 . 0 0 "[ .]" 1
579 1 78 SER HA 1 80 ASP H . . 4.340 4.816 4.089 5.347 1.007 1 3 "[+-* .]" 1
580 1 80 ASP HA 1 81 LEU H . . 3.480 2.657 2.506 2.795 . 0 0 "[ .]" 1
581 1 83 GLY H 1 85 LEU H . . 4.870 4.695 4.398 4.909 0.039 1 0 "[ .]" 1
582 1 83 GLY H 1 85 LEU QD . . 5.500 4.749 4.558 4.982 . 0 0 "[ .]" 1
583 1 82 LEU QB 1 83 GLY H . . 3.410 2.714 2.568 2.847 . 0 0 "[ .]" 1
584 1 83 GLY H 1 84 ASP QB . . 4.730 4.396 4.121 4.818 0.088 3 0 "[ .]" 1
585 1 82 LEU H 1 84 ASP H . . 4.500 4.262 4.082 4.516 0.016 1 0 "[ .]" 1
586 1 83 GLY HA2 1 84 ASP H . . 3.510 3.335 3.009 3.527 0.017 3 0 "[ .]" 1
587 1 81 LEU HA 1 84 ASP H . . 3.630 3.610 3.304 3.953 0.323 1 0 "[ .]" 1
588 1 82 LEU HA 1 84 ASP H . . 4.850 3.938 3.810 4.095 . 0 0 "[ .]" 1
589 1 84 ASP H 1 84 ASP QB . . 3.640 2.355 2.252 2.471 . 0 0 "[ .]" 1
590 1 81 LEU HB2 1 84 ASP H . . 4.450 4.470 4.314 4.689 0.239 1 0 "[ .]" 1
591 1 33 LEU QD 1 84 ASP H . . 4.770 4.573 4.113 4.963 0.193 2 0 "[ .]" 1
592 1 82 LEU HA 1 85 LEU H . . 3.700 4.118 3.658 4.639 0.939 1 2 "[+ -]" 1
593 1 84 ASP QB 1 85 LEU H . . 3.950 2.843 2.668 2.986 . 0 0 "[ .]" 1
594 1 85 LEU H 1 85 LEU QB . . 3.170 2.912 2.483 3.082 . 0 0 "[ .]" 1
595 1 85 LEU H 1 85 LEU QD . . 3.560 2.345 2.117 3.111 . 0 0 "[ .]" 1
596 1 33 LEU QD 1 85 LEU H . . 4.170 3.620 3.089 3.939 . 0 0 "[ .]" 1
597 1 84 ASP H 1 86 PHE H . . 4.710 4.137 3.690 4.525 . 0 0 "[ .]" 1
598 1 86 PHE H 1 86 PHE QD . . 4.190 3.060 2.473 3.344 . 0 0 "[ .]" 1
599 1 86 PHE H 1 86 PHE HB3 . . 3.860 3.640 3.530 3.681 . 0 0 "[ .]" 1
600 1 82 LEU HA 1 86 PHE H . . 5.260 4.996 4.250 5.645 0.385 1 0 "[ .]" 1
601 1 86 PHE H 1 86 PHE HB2 . . 4.150 2.488 2.228 2.612 . 0 0 "[ .]" 1
602 1 83 GLY HA2 1 86 PHE H . . 4.560 3.836 3.668 4.099 . 0 0 "[ .]" 1
603 1 85 LEU QD 1 86 PHE H . . 3.510 3.388 3.021 3.981 0.471 3 0 "[ .]" 1
604 1 85 LEU QB 1 86 PHE H . . 4.070 3.015 2.468 3.316 . 0 0 "[ .]" 1
605 1 85 LEU HG 1 86 PHE H . . 4.780 2.791 2.148 4.345 . 0 0 "[ .]" 1
606 1 86 PHE H 1 87 GLY H . . 3.910 2.547 2.432 2.799 . 0 0 "[ .]" 1
607 1 85 LEU H 1 87 GLY H . . 5.100 3.968 3.765 4.094 . 0 0 "[ .]" 1
608 1 84 ASP H 1 87 GLY H . . 5.000 4.482 4.192 4.835 . 0 0 "[ .]" 1
609 1 86 PHE QD 1 87 GLY H . . 5.040 4.349 4.114 4.625 . 0 0 "[ .]" 1
610 1 86 PHE HB2 1 87 GLY H . . 3.170 2.633 2.459 3.006 . 0 0 "[ .]" 1
611 1 83 GLY HA2 1 87 GLY H . . 3.590 3.151 2.861 3.499 . 0 0 "[ .]" 1
612 1 84 ASP HA 1 87 GLY H . . 3.720 4.220 4.022 4.381 0.661 4 3 "[ * +-]" 1
613 1 86 PHE HA 1 87 GLY H . . 3.440 3.585 3.573 3.600 0.160 5 0 "[ .]" 1
614 1 86 PHE HB3 1 87 GLY H . . 4.240 3.590 3.398 3.773 . 0 0 "[ .]" 1
615 1 87 GLY H 1 88 VAL QG . . 4.760 3.760 3.522 4.024 . 0 0 "[ .]" 1
616 1 85 LEU QB 1 87 GLY H . . 4.580 5.103 4.671 5.389 0.809 4 3 "[- +*]" 1
617 1 87 GLY H 1 88 VAL H . . 3.680 2.447 2.347 2.559 . 0 0 "[ .]" 1
618 1 86 PHE QD 1 88 VAL H . . 5.140 4.721 4.350 4.920 . 0 0 "[ .]" 1
619 1 86 PHE HB2 1 88 VAL H . . 3.330 3.156 2.693 3.473 0.143 2 0 "[ .]" 1
620 1 86 PHE HA 1 88 VAL H . . 4.400 5.085 4.803 5.367 0.967 4 3 "[- +*]" 1
621 1 86 PHE HB3 1 88 VAL H . . 4.250 3.809 3.099 4.331 0.081 5 0 "[ .]" 1
622 1 88 VAL HA 1 90 SER H . . 4.430 4.291 4.217 4.341 . 0 0 "[ .]" 1
623 1 90 SER H 1 90 SER QB . . 3.520 3.004 2.785 3.149 . 0 0 "[ .]" 1
624 1 88 VAL HB 1 90 SER H . . 3.620 4.698 2.920 5.234 1.614 5 4 "[ **-+]" 1
625 1 88 VAL QG 1 90 SER H . . 3.970 2.515 2.158 3.567 . 0 0 "[ .]" 1
626 1 91 PHE HD1 1 92 SER H . . 5.500 5.207 3.599 5.709 0.209 2 0 "[ .]" 1
627 1 92 SER H 1 95 GLU H . . 5.500 5.530 5.193 5.867 0.367 3 0 "[ .]" 1
628 1 92 SER QB 1 93 VAL H . . 4.010 3.074 2.798 3.469 . 0 0 "[ .]" 1
629 1 74 ILE HA 1 93 VAL H . . 4.460 3.549 3.005 3.928 . 0 0 "[ .]" 1
630 1 93 VAL H 1 95 GLU H . . 4.320 3.898 3.698 4.051 . 0 0 "[ .]" 1
631 1 93 VAL H 1 94 LYS H . . 3.830 2.370 2.242 2.473 . 0 0 "[ .]" 1
632 1 92 SER QB 1 94 LYS H . . 4.660 3.325 3.005 3.670 . 0 0 "[ .]" 1
633 1 93 VAL HA 1 94 LYS H . . 3.490 3.558 3.525 3.588 0.098 1 0 "[ .]" 1
634 1 92 SER HA 1 94 LYS H . . 4.770 4.050 3.755 4.287 . 0 0 "[ .]" 1
635 1 93 VAL QG 1 94 LYS H . . 3.390 2.312 2.108 2.525 . 0 0 "[ .]" 1
636 1 94 LYS H 1 94 LYS HG3 . . 3.630 3.739 3.621 3.874 0.244 5 0 "[ .]" 1
637 1 94 LYS H 1 94 LYS HB3 . . 3.990 2.758 2.684 2.906 . 0 0 "[ .]" 1
638 1 94 LYS H 1 95 GLU H . . 3.630 2.577 2.516 2.645 . 0 0 "[ .]" 1
639 1 94 LYS HB3 1 95 GLU H . . 4.720 4.244 4.149 4.389 . 0 0 "[ .]" 1
640 1 95 GLU H 1 98 LYS QB . . 5.120 5.212 4.999 5.412 0.292 3 0 "[ .]" 1
641 1 95 GLU H 1 95 GLU HB2 . . 3.680 2.407 2.263 2.528 . 0 0 "[ .]" 1
642 1 95 GLU H 1 95 GLU HB3 . . 3.680 3.615 3.543 3.654 . 0 0 "[ .]" 1
643 1 95 GLU H 1 96 HIS H . . 3.720 4.255 4.057 4.385 0.665 3 3 "[-*+ .]" 1
644 1 96 HIS H 1 96 HIS HD2 . . 4.050 3.620 3.192 3.955 . 0 0 "[ .]" 1
645 1 95 GLU HA 1 96 HIS H . . 3.340 2.205 2.183 2.254 . 0 0 "[ .]" 1
646 1 95 GLU HB2 1 96 HIS H . . 4.650 4.508 4.393 4.616 . 0 0 "[ .]" 1
647 1 95 GLU HB3 1 96 HIS H . . 4.650 3.876 3.700 4.091 . 0 0 "[ .]" 1
648 1 96 HIS H 1 99 ILE MG . . 5.230 6.392 5.367 7.150 1.920 1 4 "[+- **]" 1
649 1 95 GLU HA 1 97 ARG H . . 3.900 3.721 3.512 3.989 0.089 2 0 "[ .]" 1
650 1 96 HIS HB2 1 97 ARG H . . 4.660 3.020 2.620 3.317 . 0 0 "[ .]" 1
651 1 97 ARG H 1 97 ARG QB . . 3.220 2.513 2.234 2.800 . 0 0 "[ .]" 1
652 1 96 HIS HB3 1 97 ARG H . . 4.660 4.052 3.848 4.216 . 0 0 "[ .]" 1
653 1 95 GLU HA 1 98 LYS H . . 4.030 4.582 4.436 4.745 0.715 5 2 "[- +]" 1
654 1 98 LYS H 1 99 ILE MD . . 4.930 4.553 3.413 5.549 0.619 2 2 "[ +- .]" 1
655 1 98 LYS H 1 99 ILE MG . . 4.930 4.679 4.067 5.539 0.609 1 1 "[+ .]" 1
656 1 98 LYS H 1 99 ILE H . . 3.600 2.430 2.071 2.659 . 0 0 "[ .]" 1
657 1 99 ILE H 1 101 THR H . . 5.300 4.248 4.114 4.382 . 0 0 "[ .]" 1
658 1 97 ARG H 1 99 ILE H . . 4.970 4.570 4.300 4.842 . 0 0 "[ .]" 1
659 1 97 ARG HA 1 99 ILE H . . 5.250 4.709 4.476 4.995 . 0 0 "[ .]" 1
660 1 96 HIS HA 1 99 ILE H . . 4.770 3.805 3.503 4.216 . 0 0 "[ .]" 1
661 1 99 ILE H 1 99 ILE MD . . 3.710 3.162 2.069 3.898 0.188 3 0 "[ .]" 1
662 1 98 LYS QB 1 99 ILE H . . 3.200 2.689 2.511 2.817 . 0 0 "[ .]" 1
663 1 99 ILE H 1 99 ILE MG . . 3.770 2.884 2.341 3.853 0.083 1 0 "[ .]" 1
664 1 100 TYR H 1 100 TYR QD . . 3.790 3.936 3.740 4.047 0.257 2 0 "[ .]" 1
665 1 98 LYS H 1 100 TYR H . . 4.530 3.839 3.555 4.057 . 0 0 "[ .]" 1
666 1 97 ARG HA 1 100 TYR H . . 4.990 3.985 3.707 4.139 . 0 0 "[ .]" 1
667 1 99 ILE MG 1 100 TYR H . . 4.050 4.178 3.793 4.329 0.279 2 0 "[ .]" 1
668 1 99 ILE MD 1 100 TYR H . . 3.970 4.166 3.654 4.604 0.634 1 1 "[+ .]" 1
669 1 100 TYR QD 1 101 THR H . . 5.130 4.692 4.618 4.759 . 0 0 "[ .]" 1
670 1 98 LYS H 1 101 THR H . . 5.010 5.085 4.699 5.413 0.403 2 0 "[ .]" 1
671 1 101 THR H 1 103 ILE H . . 5.110 4.187 4.057 4.370 . 0 0 "[ .]" 1
672 1 100 TYR H 1 101 THR H . . 4.360 2.659 2.621 2.697 . 0 0 "[ .]" 1
673 1 101 THR H 1 101 THR HB . . 3.570 2.740 2.657 2.825 . 0 0 "[ .]" 1
674 1 100 TYR QB 1 101 THR H . . 3.490 3.022 2.945 3.136 . 0 0 "[ .]" 1
675 1 101 THR H 1 101 THR MG . . 3.900 3.758 3.730 3.789 . 0 0 "[ .]" 1
676 1 100 TYR HA 1 102 MET H . . 4.420 4.204 4.114 4.323 . 0 0 "[ .]" 1
677 1 59 GLN H 1 59 GLN HA . . 2.910 2.849 2.839 2.865 . 0 0 "[ .]" 1
678 1 101 THR HB 1 102 MET H . . 4.080 2.844 2.764 2.921 . 0 0 "[ .]" 1
679 1 101 THR MG 1 102 MET H . . 3.550 3.930 3.850 4.039 0.489 4 0 "[ .]" 1
680 1 103 ILE H 1 103 ILE MD . . 3.380 3.403 3.336 3.461 0.081 4 0 "[ .]" 1
681 1 101 THR MG 1 103 ILE H . . 5.180 5.368 5.284 5.524 0.344 2 0 "[ .]" 1
682 1 103 ILE H 1 103 ILE HB . . 3.860 2.515 2.434 2.608 . 0 0 "[ .]" 1
683 1 104 TYR H 1 104 TYR QD . . 4.020 4.239 4.231 4.251 0.231 4 0 "[ .]" 1
684 1 102 MET H 1 104 TYR H . . 4.510 4.056 3.985 4.149 . 0 0 "[ .]" 1
685 1 103 ILE H 1 104 TYR H . . 3.260 2.601 2.541 2.761 . 0 0 "[ .]" 1
686 1 101 THR HA 1 104 TYR H . . 4.740 3.568 3.398 3.773 . 0 0 "[ .]" 1
687 1 101 THR HB 1 104 TYR H . . 5.500 5.595 5.483 5.757 0.257 2 0 "[ .]" 1
688 1 101 THR MG 1 104 TYR H . . 5.240 4.823 4.756 4.969 . 0 0 "[ .]" 1
689 1 103 ILE HB 1 104 TYR H . . 4.690 2.979 2.846 3.121 . 0 0 "[ .]" 1
690 1 104 TYR QD 1 105 ARG H . . 4.600 4.448 4.275 4.657 0.057 4 0 "[ .]" 1
691 1 103 ILE H 1 105 ARG H . . 4.400 4.170 4.051 4.295 . 0 0 "[ .]" 1
692 1 104 TYR H 1 106 ASN H . . 4.550 4.465 4.353 4.528 . 0 0 "[ .]" 1
693 1 15 THR HA 1 16 THR H . . 3.310 2.279 2.248 2.305 . 0 0 "[ .]" 1
694 1 106 ASN H 1 106 ASN HB3 . . 4.030 3.712 3.641 3.804 . 0 0 "[ .]" 1
695 1 106 ASN H 1 106 ASN HB2 . . 4.030 2.533 2.395 2.712 . 0 0 "[ .]" 1
696 1 106 ASN H 1 107 LEU H . . 3.670 2.974 2.081 3.319 . 0 0 "[ .]" 1
697 1 104 TYR HA 1 107 LEU H . . 5.230 4.825 4.268 5.016 . 0 0 "[ .]" 1
698 1 105 ARG HA 1 107 LEU H . . 5.160 4.059 3.896 4.180 . 0 0 "[ .]" 1
699 1 107 LEU H 1 108 VAL HA . . 5.100 4.868 4.818 4.939 . 0 0 "[ .]" 1
700 1 103 ILE MG 1 107 LEU H . . 5.500 5.641 5.376 5.878 0.378 5 0 "[ .]" 1
701 1 107 LEU H 1 107 LEU QB . . 3.760 3.060 2.959 3.110 . 0 0 "[ .]" 1
702 1 107 LEU H 1 107 LEU HG . . 4.570 4.220 4.119 4.289 . 0 0 "[ .]" 1
703 1 107 LEU H 1 108 VAL H . . 4.480 4.475 4.454 4.498 0.018 3 0 "[ .]" 1
704 1 107 LEU QD 1 108 VAL H . . 3.310 2.562 2.513 2.597 . 0 0 "[ .]" 1
705 1 107 LEU QB 1 108 VAL H . . 3.820 2.457 2.410 2.494 . 0 0 "[ .]" 1
706 1 108 VAL HA 1 109 VAL H . . 3.340 2.210 2.163 2.277 . 0 0 "[ .]" 1
707 1 28 VAL HA 1 109 VAL H . . 5.210 5.437 5.045 5.716 0.506 4 1 "[ +.]" 1
708 1 26 THR MG 1 111 ASN H . . 4.970 2.401 2.067 2.782 . 0 0 "[ .]" 1
709 1 110 VAL HB 1 111 ASN H . . 4.330 2.398 2.210 2.551 . 0 0 "[ .]" 1
710 1 109 VAL HB 1 111 ASN H . . 4.840 3.424 3.028 3.847 . 0 0 "[ .]" 1
711 1 109 VAL HA 1 111 ASN H . . 4.950 4.555 4.300 4.764 . 0 0 "[ .]" 1
712 1 111 ASN H 1 112 GLN HA . . 4.820 4.973 4.683 5.166 0.346 1 0 "[ .]" 1
713 1 111 ASN HA 1 112 GLN H . . 3.170 2.189 2.160 2.211 . 0 0 "[ .]" 1
714 1 117 ASP HA 1 118 SER H . . 3.530 2.258 2.181 2.322 . 0 0 "[ .]" 1
715 1 117 ASP QB 1 118 SER H . . 3.540 3.441 3.256 3.598 0.058 4 0 "[ .]" 1
716 1 122 VAL HA 1 123 SER H . . 3.490 2.235 2.197 2.298 . 0 0 "[ .]" 1
717 1 124 GLU H 1 125 ASN H . . 4.860 3.273 2.264 4.689 . 0 0 "[ .]" 1
718 1 69 GLU H 1 69 GLU QB . . 3.410 2.972 2.788 3.316 . 0 0 "[ .]" 1
719 1 123 SER QB 1 124 GLU H . . 4.760 3.123 2.137 4.039 . 0 0 "[ .]" 1
720 1 123 SER HA 1 124 GLU H . . 3.370 2.434 2.180 2.658 . 0 0 "[ .]" 1
721 1 70 LYS H 1 70 LYS QB . . 3.440 2.402 2.261 2.586 . 0 0 "[ .]" 1
722 1 69 GLU QB 1 70 LYS H . . 3.910 3.188 2.422 3.497 . 0 0 "[ .]" 1
723 1 70 LYS H 1 71 GLN H . . 3.340 2.696 2.626 2.816 . 0 0 "[ .]" 1
724 1 70 LYS QB 1 71 GLN H . . 3.800 2.697 2.376 3.532 . 0 0 "[ .]" 1
725 1 69 GLU HA 1 71 GLN H . . 4.340 4.483 4.253 4.740 0.400 1 0 "[ .]" 1
726 1 49 THR MG 1 52 GLU H . . 4.100 4.330 4.286 4.411 0.311 1 0 "[ .]" 1
727 1 51 LYS QB 1 52 GLU H . . 4.100 2.892 2.622 3.538 . 0 0 "[ .]" 1
728 1 48 TYR QB 1 52 GLU H . . 5.100 4.963 4.687 5.152 0.052 2 0 "[ .]" 1
729 1 52 GLU H 1 52 GLU QB . . 3.260 2.300 2.151 2.381 . 0 0 "[ .]" 1
730 1 50 MET HA 1 52 GLU H . . 4.950 4.530 4.354 4.626 . 0 0 "[ .]" 1
731 1 48 TYR HA 1 52 GLU H . . 5.410 6.152 6.032 6.307 0.897 2 5 [-+***] 1
732 1 49 THR H 1 52 GLU H . . 4.660 3.705 3.571 3.853 . 0 0 "[ .]" 1
733 1 67 TYR H 1 67 TYR QD . . 4.590 2.077 2.028 2.150 . 0 0 "[ .]" 1
734 1 39 LYS H 1 43 ALA MB . . 3.420 4.135 4.033 4.379 0.959 3 5 [*-+**] 1
735 1 39 LYS H 1 41 VAL QG . . 5.110 4.087 3.973 4.140 . 0 0 "[ .]" 1
736 1 36 LYS HA 1 39 LYS H . . 4.340 3.557 3.506 3.595 . 0 0 "[ .]" 1
737 1 43 ALA HA 1 44 GLN H . . 3.110 2.228 2.185 2.312 . 0 0 "[ .]" 1
738 1 44 GLN H 1 48 TYR QE . . 4.090 4.722 4.542 4.894 0.804 1 4 [+**-.] 1
739 1 38 LEU H 1 39 LYS H . . 4.060 2.720 2.700 2.758 . 0 0 "[ .]" 1
740 1 61 ILE MG 1 63 THR H . . 5.440 5.602 5.483 5.824 0.384 3 0 "[ .]" 1
741 1 63 THR H 1 63 THR MG . . 3.360 2.226 2.187 2.266 . 0 0 "[ .]" 1
742 1 60 TYR HA 1 63 THR H . . 3.870 3.723 3.660 3.837 . 0 0 "[ .]" 1
743 1 59 GLN HA 1 63 THR H . . 4.170 4.071 3.899 4.231 0.061 1 0 "[ .]" 1
744 1 63 THR H 1 63 THR HB . . 3.710 2.553 2.543 2.570 . 0 0 "[ .]" 1
745 1 62 MET H 1 63 THR H . . 2.660 2.501 2.447 2.555 . 0 0 "[ .]" 1
746 1 76 TYR HA 1 77 CYS H . . 2.870 2.387 2.292 2.562 . 0 0 "[ .]" 1
747 1 80 ASP HA 1 82 LEU H . . 4.410 4.302 4.196 4.397 . 0 0 "[ .]" 1
748 1 82 LEU H 1 82 LEU QB . . 3.280 2.143 2.084 2.206 . 0 0 "[ .]" 1
749 1 60 TYR QE 1 82 LEU H . . 4.400 4.322 3.869 4.572 0.172 1 0 "[ .]" 1
750 1 90 SER H 1 91 PHE H . . 4.390 4.368 4.281 4.461 0.071 3 0 "[ .]" 1
751 1 90 SER QB 1 91 PHE H . . 3.600 3.208 2.909 3.363 . 0 0 "[ .]" 1
752 1 91 PHE H 1 91 PHE HB3 . . 3.940 3.280 2.939 3.437 . 0 0 "[ .]" 1
753 1 91 PHE H 1 91 PHE HB2 . . 3.940 3.688 2.808 3.953 0.013 1 0 "[ .]" 1
754 1 74 ILE MG 1 91 PHE H . . 3.900 5.164 4.714 5.464 1.564 5 5 [-***+] 1
755 1 109 VAL HA 1 110 VAL H . . 3.470 2.315 2.239 2.411 . 0 0 "[ .]" 1
756 1 28 VAL HA 1 110 VAL H . . 3.950 4.109 3.995 4.278 0.328 5 0 "[ .]" 1
757 1 26 THR MG 1 110 VAL H . . 4.910 2.546 2.273 2.780 . 0 0 "[ .]" 1
758 1 110 VAL H 1 110 VAL HB . . 3.440 2.606 2.533 2.667 . 0 0 "[ .]" 1
759 1 45 LYS H 1 46 ASP H . . 5.390 4.596 4.485 4.667 . 0 0 "[ .]" 1
760 1 61 ILE H 1 61 ILE HB . . 3.950 2.985 2.465 3.683 . 0 0 "[ .]" 1
761 1 47 THR H 1 48 TYR H . . 4.380 4.389 4.321 4.454 0.074 2 0 "[ .]" 1
762 1 48 TYR H 1 48 TYR QD . . 2.520 2.956 2.808 3.036 0.516 2 1 "[ + .]" 1
763 1 47 THR HB 1 48 TYR H . . 3.760 3.097 2.936 3.164 . 0 0 "[ .]" 1
764 1 93 VAL H 1 93 VAL QG . . 3.550 2.156 2.104 2.189 . 0 0 "[ .]" 1
765 1 17 SER H 1 20 PRO QB . . 5.500 5.037 4.802 5.434 . 0 0 "[ .]" 1
766 1 20 PRO QG 1 21 ALA H . . 4.580 3.809 3.758 3.844 . 0 0 "[ .]" 1
767 1 103 ILE H 1 106 ASN H . . 5.260 5.396 5.205 5.847 0.587 3 1 "[ + .]" 1
768 1 20 PRO QG 1 23 GLU H . . 3.910 3.197 3.114 3.233 . 0 0 "[ .]" 1
769 1 18 GLN H 1 19 ILE HB . . 4.580 5.729 5.572 5.830 1.250 1 5 [+**-*] 1
770 1 85 LEU H 1 85 LEU HG . . 3.150 2.123 1.994 2.292 . 0 0 "[ .]" 1
771 1 99 ILE HB 1 101 THR H . . 5.500 5.421 5.207 5.551 0.051 3 0 "[ .]" 1
772 1 103 ILE MD 1 104 TYR H . . 4.970 4.728 4.625 4.828 . 0 0 "[ .]" 1
773 1 28 VAL HB 1 108 VAL H . . 3.920 4.071 3.879 4.185 0.265 2 0 "[ .]" 1
774 1 45 LYS H 1 45 LYS HB3 . . 3.800 3.663 3.578 3.775 . 0 0 "[ .]" 1
775 1 45 LYS H 1 45 LYS HB2 . . 3.760 2.476 2.306 2.634 . 0 0 "[ .]" 1
776 1 20 PRO QB 1 22 SER H . . 3.190 2.569 2.501 2.636 . 0 0 "[ .]" 1
777 1 26 THR H 1 51 LYS H . . 3.910 4.580 4.264 4.981 1.071 2 3 "[ + *-]" 1
778 1 36 LYS H 1 37 LEU H . . 3.680 2.495 2.250 2.601 . 0 0 "[ .]" 1
779 1 19 ILE MG 1 24 GLN H . . 4.550 3.804 3.562 3.992 . 0 0 "[ .]" 1
780 1 18 GLN H 1 19 ILE HA . . 4.770 5.366 5.287 5.460 0.690 2 5 [*+*-*] 1
781 1 36 LYS H 1 37 LEU QB . . 5.500 4.225 3.965 4.356 . 0 0 "[ .]" 1
782 1 41 VAL H 1 42 GLY HA3 . . 5.000 5.308 5.176 5.419 0.419 4 0 "[ .]" 1
783 1 74 ILE MG 1 90 SER H . . 5.480 6.975 6.270 7.651 2.171 5 5 [-***+] 1
784 1 19 ILE MG 1 101 THR H . . 4.850 6.200 5.753 6.682 1.832 2 5 [-+***] 1
785 1 105 ARG H 1 107 LEU H . . 5.320 4.605 4.461 4.722 . 0 0 "[ .]" 1
786 1 45 LYS H 1 48 TYR QE . . 4.380 2.636 2.286 3.015 . 0 0 "[ .]" 1
787 1 9 PRO HA 1 10 THR H . . 3.220 2.292 2.179 2.377 . 0 0 "[ .]" 1
788 1 9 PRO HB2 1 10 THR H . . 4.430 3.055 2.781 3.542 . 0 0 "[ .]" 1
789 1 9 PRO HB3 1 10 THR H . . 4.430 3.775 3.620 4.046 . 0 0 "[ .]" 1
790 1 10 THR H 1 10 THR HB . . 3.710 2.735 2.681 2.786 . 0 0 "[ .]" 1
791 1 10 THR HB 1 11 ASP H . . 3.180 2.356 2.325 2.394 . 0 0 "[ .]" 1
792 1 10 THR HB 1 12 GLY H . . 4.430 4.566 4.342 4.833 0.403 5 0 "[ .]" 1
793 1 11 ASP H 1 12 GLY H . . 3.920 2.331 2.209 2.541 . 0 0 "[ .]" 1
794 1 14 VAL H 1 14 VAL HB . . 2.970 2.399 2.244 2.581 . 0 0 "[ .]" 1
795 1 16 THR HA 1 17 SER H . . 3.440 2.399 2.313 2.435 . 0 0 "[ .]" 1
796 1 103 ILE HA 1 106 ASN H . . 4.010 3.802 3.660 4.274 0.264 3 0 "[ .]" 1
797 1 16 THR HB 1 17 SER H . . 4.750 3.642 3.446 4.110 . 0 0 "[ .]" 1
798 1 17 SER H 1 18 GLN H . . 4.110 2.807 2.520 2.945 . 0 0 "[ .]" 1
799 1 17 SER H 1 19 ILE H . . 4.820 5.002 4.668 5.255 0.435 1 0 "[ .]" 1
800 1 18 GLN H 1 19 ILE H . . 3.880 3.005 2.843 3.083 . 0 0 "[ .]" 1
801 1 19 ILE H 1 19 ILE HB . . 3.880 2.769 2.655 2.812 . 0 0 "[ .]" 1
802 1 16 THR MG 1 97 ARG H . . 4.460 6.186 5.040 7.145 2.685 1 5 [+-***] 1
803 1 19 ILE H 1 19 ILE QG . . 3.230 2.860 2.718 2.951 . 0 0 "[ .]" 1
804 1 20 PRO HA 1 21 ALA H . . 3.370 2.600 2.586 2.620 . 0 0 "[ .]" 1
805 1 20 PRO HA 1 22 SER H . . 5.140 4.420 4.365 4.450 . 0 0 "[ .]" 1
806 1 21 ALA H 1 21 ALA MB . . 3.380 2.243 2.237 2.250 . 0 0 "[ .]" 1
807 1 21 ALA MB 1 22 SER H . . 3.640 2.986 2.925 3.096 . 0 0 "[ .]" 1
808 1 21 ALA MB 1 23 GLU H . . 4.720 4.784 4.721 4.880 0.160 4 0 "[ .]" 1
809 1 21 ALA MB 1 24 GLN H . . 4.920 4.618 4.560 4.685 . 0 0 "[ .]" 1
810 1 22 SER H 1 23 GLU H . . 4.090 2.834 2.770 2.868 . 0 0 "[ .]" 1
811 1 22 SER H 1 24 GLN H . . 4.540 4.181 4.031 4.275 . 0 0 "[ .]" 1
812 1 22 SER HA 1 25 GLU H . . 4.840 5.969 5.587 6.215 1.375 3 5 [-*+**] 1
813 1 21 ALA H 1 23 GLU H . . 5.030 4.710 4.587 4.823 . 0 0 "[ .]" 1
814 1 23 GLU HA 1 25 GLU H . . 4.030 4.568 4.369 4.814 0.784 3 3 "[ *+ -]" 1
815 1 23 GLU QB 1 24 GLN H . . 3.270 2.637 2.592 2.720 . 0 0 "[ .]" 1
816 1 23 GLU H 1 23 GLU QB . . 2.930 2.365 2.352 2.386 . 0 0 "[ .]" 1
817 1 23 GLU H 1 24 GLN H . . 3.780 2.378 2.330 2.399 . 0 0 "[ .]" 1
818 1 23 GLU H 1 24 GLN HA . . 5.040 5.069 5.039 5.082 0.042 5 0 "[ .]" 1
819 1 24 GLN HA 1 26 THR H . . 4.840 4.032 3.651 4.287 . 0 0 "[ .]" 1
820 1 10 THR H 1 10 THR MG . . 4.020 3.896 3.858 3.939 . 0 0 "[ .]" 1
821 1 10 THR MG 1 11 ASP H . . 4.460 3.559 3.515 3.611 . 0 0 "[ .]" 1
822 1 13 ALA H 1 13 ALA MB . . 3.200 2.565 2.479 2.598 . 0 0 "[ .]" 1
823 1 16 THR MG 1 17 SER H . . 4.960 2.154 2.075 2.425 . 0 0 "[ .]" 1
824 1 19 ILE MD 1 97 ARG H . . 4.400 4.383 4.307 4.495 0.095 5 0 "[ .]" 1
825 1 19 ILE MD 1 98 LYS H . . 5.260 4.921 4.668 5.300 0.040 2 0 "[ .]" 1
826 1 19 ILE MD 1 100 TYR H . . 4.740 3.854 3.632 3.971 . 0 0 "[ .]" 1
827 1 19 ILE MD 1 101 THR H . . 4.520 4.182 3.934 4.384 . 0 0 "[ .]" 1
828 1 19 ILE H 1 19 ILE MG . . 4.340 3.932 3.887 3.949 . 0 0 "[ .]" 1
829 1 20 PRO QB 1 21 ALA H . . 4.110 2.166 2.144 2.179 . 0 0 "[ .]" 1
830 1 19 ILE H 1 20 PRO HD2 . . 4.730 4.456 4.399 4.513 . 0 0 "[ .]" 1
831 1 9 PRO QB 1 10 THR H . . 3.810 2.927 2.696 3.330 . 0 0 "[ .]" 1
832 1 10 THR MG 1 11 ASP QB . . 4.270 4.126 3.715 4.627 0.357 2 0 "[ .]" 1
833 1 11 ASP H 1 11 ASP QB . . 3.290 2.568 2.364 2.843 . 0 0 "[ .]" 1
834 1 11 ASP H 1 12 GLY QA . . 5.030 4.249 4.101 4.447 . 0 0 "[ .]" 1
835 1 11 ASP QB 1 12 GLY H . . 3.990 3.055 2.423 3.730 . 0 0 "[ .]" 1
836 1 12 GLY QA 1 13 ALA H . . 2.810 2.225 2.168 2.259 . 0 0 "[ .]" 1
837 1 12 GLY QA 1 13 ALA MB . . 3.860 3.878 3.645 3.985 0.125 2 0 "[ .]" 1
838 1 13 ALA MB 1 51 LYS QG . . 4.050 3.964 3.489 4.714 0.664 4 1 "[ +.]" 1
839 1 13 ALA MB 1 55 PHE QB . . 4.730 4.179 3.776 4.764 0.034 4 0 "[ .]" 1
840 1 14 VAL H 1 51 LYS QG . . 5.200 4.653 3.902 5.548 0.348 4 0 "[ .]" 1
841 1 16 THR HA 1 17 SER QB . . 4.870 4.558 4.253 4.739 . 0 0 "[ .]" 1
842 1 16 THR MG 1 17 SER QB . . 3.940 3.397 3.171 3.837 . 0 0 "[ .]" 1
843 1 18 GLN H 1 18 GLN QB . . 2.640 2.317 2.228 2.447 . 0 0 "[ .]" 1
844 1 18 GLN QB 1 19 ILE H . . 3.850 2.307 2.171 2.428 . 0 0 "[ .]" 1
845 1 19 ILE MG 1 24 GLN QG . . 3.380 2.114 1.975 2.345 . 0 0 "[ .]" 1
846 1 19 ILE MG 1 100 TYR QB . . 5.180 3.296 2.869 3.660 . 0 0 "[ .]" 1
847 1 20 PRO QB 1 22 SER QB . . 4.180 3.501 3.431 3.578 . 0 0 "[ .]" 1
848 1 21 ALA MB 1 22 SER QB . . 4.750 4.266 4.221 4.374 . 0 0 "[ .]" 1
849 1 22 SER H 1 22 SER QB . . 2.940 2.263 2.255 2.267 . 0 0 "[ .]" 1
850 1 23 GLU H 1 23 GLU QG . . 3.210 2.721 2.676 2.753 . 0 0 "[ .]" 1
851 1 24 GLN HA 1 24 GLN QG . . 3.590 2.850 2.712 2.953 . 0 0 "[ .]" 1
852 1 24 GLN HA 1 50 MET QB . . 2.620 3.447 3.114 3.715 1.095 1 4 "[+*- *]" 1
853 1 24 GLN HA 1 50 MET QG . . 4.900 3.134 2.932 3.306 . 0 0 "[ .]" 1
854 1 26 THR H 1 50 MET QB . . 3.000 2.315 2.164 2.428 . 0 0 "[ .]" 1
855 1 26 THR H 1 50 MET QG . . 4.940 3.878 3.739 4.022 . 0 0 "[ .]" 1
856 1 26 THR HB 1 50 MET QG . . 4.350 4.141 3.933 4.326 . 0 0 "[ .]" 1
857 1 26 THR MG 1 28 VAL QG . . 3.450 3.762 3.474 3.929 0.479 2 0 "[ .]" 1
858 1 26 THR MG 1 107 LEU QD . . 3.590 4.273 4.089 4.568 0.978 2 4 "[*+ -*]" 1
859 1 27 LEU HA 1 27 LEU QB . . 2.570 2.473 2.457 2.502 . 0 0 "[ .]" 1
860 1 27 LEU HA 1 27 LEU QD . . 2.550 2.132 2.010 2.266 . 0 0 "[ .]" 1
861 1 27 LEU QB 1 27 LEU QD . . 2.560 1.984 1.930 2.075 . 0 0 "[ .]" 1
862 1 27 LEU QB 1 47 THR MG . . 5.340 4.502 3.836 5.069 . 0 0 "[ .]" 1
863 1 27 LEU QB 1 49 THR HA . . 4.840 4.544 4.371 4.939 0.099 2 0 "[ .]" 1
864 1 27 LEU QB 1 49 THR HB . . 5.340 6.008 5.651 6.247 0.907 2 4 [-+**.] 1
865 1 27 LEU QB 1 110 VAL HB . . 3.850 2.818 2.394 3.194 . 0 0 "[ .]" 1
866 1 27 LEU QB 1 110 VAL QG . . 3.780 2.314 2.118 2.801 . 0 0 "[ .]" 1
867 1 27 LEU QD 1 28 VAL H . . 2.920 2.851 2.188 3.182 0.262 3 0 "[ .]" 1
868 1 27 LEU QD 1 47 THR H . . 4.960 5.004 4.779 5.333 0.373 1 0 "[ .]" 1
869 1 27 LEU QD 1 47 THR HA . . 3.990 4.327 3.626 4.745 0.755 1 2 "[+ -.]" 1
870 1 27 LEU QD 1 47 THR HB . . 2.410 2.463 1.989 2.806 0.396 1 0 "[ .]" 1
871 1 27 LEU QD 1 48 TYR H . . 3.450 3.891 3.162 4.194 0.744 1 3 "[+ -*.]" 1
872 1 27 LEU QD 1 48 TYR QB . . 5.440 4.658 4.435 4.767 . 0 0 "[ .]" 1
873 1 27 LEU QD 1 49 THR H . . 3.590 4.230 4.065 4.440 0.850 2 4 "[ +**-]" 1
874 1 27 LEU QD 1 49 THR HB . . 4.830 4.064 3.456 4.431 . 0 0 "[ .]" 1
875 1 27 LEU QD 1 49 THR MG . . 3.350 2.147 1.901 2.470 . 0 0 "[ .]" 1
876 1 28 VAL HA 1 108 VAL QG . . 3.740 3.554 3.481 3.647 . 0 0 "[ .]" 1
877 1 28 VAL HA 1 110 VAL QG . . 3.290 3.279 2.838 3.662 0.372 2 0 "[ .]" 1
878 1 28 VAL HB 1 35 LEU QD . . 5.070 2.870 2.575 3.227 . 0 0 "[ .]" 1
879 1 28 VAL HB 1 108 VAL QG . . 3.730 3.686 3.605 3.756 0.026 5 0 "[ .]" 1
880 1 28 VAL QG 1 35 LEU HG . . 3.770 3.831 3.514 4.223 0.453 5 0 "[ .]" 1
881 1 28 VAL QG 1 35 LEU QD . . 3.690 2.798 2.157 3.232 . 0 0 "[ .]" 1
882 1 28 VAL QG 1 38 LEU QD . . 4.610 3.876 3.651 4.055 . 0 0 "[ .]" 1
883 1 28 VAL QG 1 47 THR HA . . 4.420 4.380 4.176 4.504 0.084 1 0 "[ .]" 1
884 1 28 VAL QG 1 50 MET QG . . 4.790 4.056 3.935 4.288 . 0 0 "[ .]" 1
885 1 29 ARG H 1 29 ARG QG . . 3.220 2.888 2.497 3.164 . 0 0 "[ .]" 1
886 1 29 ARG HA 1 108 VAL QG . . 4.260 4.250 4.095 4.375 0.115 3 0 "[ .]" 1
887 1 29 ARG HA 1 110 VAL QG . . 4.920 4.829 4.613 5.053 0.133 5 0 "[ .]" 1
888 1 29 ARG QB 1 110 VAL QG . . 4.230 4.124 4.051 4.285 0.055 2 0 "[ .]" 1
889 1 29 ARG QG 1 47 THR HB . . 5.240 4.576 4.126 5.146 . 0 0 "[ .]" 1
890 1 29 ARG QG 1 110 VAL QG . . 3.740 2.723 2.409 3.091 . 0 0 "[ .]" 1
891 1 29 ARG QD 1 47 THR MG . . 4.290 4.034 2.067 4.990 0.700 3 1 "[ + .]" 1
892 1 29 ARG QD 1 108 VAL QG . . 4.220 3.311 2.700 4.641 0.421 4 0 "[ .]" 1
893 1 33 LEU H 1 36 LYS QB . . 4.970 4.826 4.669 5.128 0.158 4 0 "[ .]" 1
894 1 33 LEU HA 1 35 LEU QD . . 4.690 4.216 3.695 5.440 0.750 4 1 "[ +.]" 1
895 1 33 LEU HA 1 36 LYS QD . . 4.280 2.768 2.377 3.136 . 0 0 "[ .]" 1
896 1 33 LEU QD 1 34 LEU QD . . 3.660 3.974 3.720 4.351 0.691 2 1 "[ + .]" 1
897 1 33 LEU QD 1 35 LEU QD . . 4.430 4.580 4.253 5.297 0.867 4 1 "[ +.]" 1
898 1 34 LEU H 1 34 LEU QD . . 4.020 3.509 3.444 3.588 . 0 0 "[ .]" 1
899 1 34 LEU H 1 35 LEU QD . . 3.440 3.480 3.303 3.752 0.312 4 0 "[ .]" 1
900 1 34 LEU HA 1 35 LEU QD . . 4.350 4.316 4.249 4.354 0.004 2 0 "[ .]" 1
901 1 34 LEU QD 1 35 LEU H . . 3.260 3.510 3.391 3.718 0.458 4 0 "[ .]" 1
902 1 34 LEU QD 1 35 LEU QD . . 4.150 3.389 2.792 3.756 . 0 0 "[ .]" 1
903 1 34 LEU QD 1 37 LEU H . . 5.440 4.458 4.292 4.596 . 0 0 "[ .]" 1
904 1 34 LEU QD 1 85 LEU QD . . 3.100 2.034 1.908 2.216 . 0 0 "[ .]" 1
905 1 34 LEU QD 1 86 PHE H . . 5.230 4.893 4.529 5.667 0.437 3 0 "[ .]" 1
906 1 34 LEU QD 1 106 ASN HA . . 4.770 4.828 4.755 4.894 0.124 2 0 "[ .]" 1
907 1 34 LEU QD 1 106 ASN QB . . 2.880 2.264 2.103 2.345 . 0 0 "[ .]" 1
908 1 35 LEU HA 1 35 LEU QD . . 3.200 2.943 2.062 3.176 . 0 0 "[ .]" 1
909 1 35 LEU HA 1 38 LEU QD . . 2.470 2.000 1.975 2.044 . 0 0 "[ .]" 1
910 1 35 LEU HA 1 57 LEU QD . . 5.440 5.008 4.303 5.449 0.009 1 0 "[ .]" 1
911 1 35 LEU QD 1 38 LEU H . . 5.380 5.142 4.733 5.302 . 0 0 "[ .]" 1
912 1 35 LEU QD 1 38 LEU QD . . 4.060 3.305 1.988 3.743 . 0 0 "[ .]" 1
913 1 35 LEU QD 1 103 ILE MG . . 4.660 4.845 4.317 5.491 0.831 3 1 "[ + .]" 1
914 1 36 LYS HA 1 36 LYS QB . . 2.610 2.507 2.471 2.547 . 0 0 "[ .]" 1
915 1 36 LYS HA 1 36 LYS QG . . 2.800 2.311 2.257 2.357 . 0 0 "[ .]" 1
916 1 36 LYS HA 1 39 LYS QB . . 2.970 2.736 2.684 2.834 . 0 0 "[ .]" 1
917 1 36 LYS HA 1 39 LYS QE . . 4.700 3.514 2.708 4.176 . 0 0 "[ .]" 1
918 1 36 LYS QB 1 36 LYS QD . . 3.010 2.167 2.128 2.263 . 0 0 "[ .]" 1
919 1 36 LYS QB 1 85 LEU QD . . 5.240 4.202 3.901 4.631 . 0 0 "[ .]" 1
920 1 36 LYS QE 1 36 LYS QG . . 2.530 2.225 2.157 2.310 . 0 0 "[ .]" 1
921 1 37 LEU H 1 38 LEU QD . . 4.010 3.599 3.561 3.643 . 0 0 "[ .]" 1
922 1 37 LEU H 1 57 LEU QD . . 5.440 5.115 4.737 5.577 0.137 1 0 "[ .]" 1
923 1 37 LEU HA 1 81 LEU QD . . 2.680 3.040 2.711 3.377 0.697 1 2 "[+- .]" 1
924 1 37 LEU QB 1 81 LEU QD . . 2.590 3.112 2.753 3.481 0.891 1 3 "[+- *]" 1
925 1 37 LEU QD 1 38 LEU HA . . 3.620 2.895 2.784 2.942 . 0 0 "[ .]" 1
926 1 37 LEU QD 1 40 SER H . . 4.590 4.578 4.015 4.871 0.281 5 0 "[ .]" 1
927 1 37 LEU QD 1 41 VAL H . . 4.490 4.291 3.954 4.542 0.052 5 0 "[ .]" 1
928 1 37 LEU QD 1 41 VAL QG . . 3.270 2.437 2.070 2.698 . 0 0 "[ .]" 1
929 1 37 LEU QD 1 57 LEU H . . 4.720 4.567 4.339 4.835 0.115 1 0 "[ .]" 1
930 1 37 LEU QD 1 57 LEU HA . . 2.530 2.500 2.210 2.991 0.461 1 0 "[ .]" 1
931 1 37 LEU QD 1 60 TYR H . . 4.890 4.198 3.839 4.885 . 0 0 "[ .]" 1
932 1 37 LEU QD 1 82 LEU HA . . 3.370 2.780 2.269 3.408 0.038 3 0 "[ .]" 1
933 1 37 LEU QD 1 82 LEU QD . . 2.240 1.976 1.922 2.030 . 0 0 "[ .]" 1
934 1 38 LEU H 1 57 LEU QD . . 4.980 4.781 4.580 5.037 0.057 5 0 "[ .]" 1
935 1 38 LEU HA 1 38 LEU QD . . 3.400 3.426 3.368 3.467 0.067 4 0 "[ .]" 1
936 1 38 LEU HA 1 56 TYR QB . . 4.590 3.278 3.067 3.432 . 0 0 "[ .]" 1
937 1 38 LEU QD 1 41 VAL QG . . 5.010 3.794 3.631 3.978 . 0 0 "[ .]" 1
938 1 38 LEU QD 1 43 ALA HA . . 4.600 4.864 4.505 5.289 0.689 1 2 "[+ - .]" 1
939 1 38 LEU QD 1 43 ALA MB . . 3.780 2.558 2.319 2.877 . 0 0 "[ .]" 1
940 1 38 LEU QD 1 48 TYR QB . . 4.610 3.415 3.154 3.698 . 0 0 "[ .]" 1
941 1 38 LEU QD 1 48 TYR QD . . 3.360 3.192 2.862 3.564 0.204 1 0 "[ .]" 1
942 1 38 LEU QD 1 56 TYR QB . . 3.320 2.470 2.265 2.642 . 0 0 "[ .]" 1
943 1 39 LYS H 1 39 LYS QB . . 2.820 2.264 2.237 2.293 . 0 0 "[ .]" 1
944 1 39 LYS QB 1 40 SER H . . 3.860 3.028 2.978 3.083 . 0 0 "[ .]" 1
945 1 39 LYS QB 1 41 VAL H . . 5.330 4.963 4.870 5.068 . 0 0 "[ .]" 1
946 1 40 SER H 1 40 SER QB . . 2.980 2.415 2.350 2.522 . 0 0 "[ .]" 1
947 1 41 VAL H 1 42 GLY QA . . 4.360 4.602 4.470 4.698 0.338 4 0 "[ .]" 1
948 1 41 VAL HA 1 42 GLY QA . . 5.340 4.246 4.236 4.251 . 0 0 "[ .]" 1
949 1 41 VAL QG 1 56 TYR QB . . 3.370 2.620 2.259 2.776 . 0 0 "[ .]" 1
950 1 41 VAL QG 1 59 GLN QB . . 4.150 3.473 3.115 3.764 . 0 0 "[ .]" 1
951 1 41 VAL QG 1 57 LEU QD . . 3.590 4.548 4.241 4.815 1.225 5 5 [-***+] 1
952 1 43 ALA H 1 56 TYR QB . . 4.510 5.975 5.596 6.102 1.592 3 5 [-*+**] 1
953 1 43 ALA HA 1 45 LYS QG . . 5.340 4.250 4.039 4.647 . 0 0 "[ .]" 1
954 1 43 ALA MB 1 56 TYR QB . . 3.690 3.631 3.236 3.791 0.101 2 0 "[ .]" 1
955 1 44 GLN H 1 45 LYS QG . . 4.910 3.611 3.330 4.011 . 0 0 "[ .]" 1
956 1 45 LYS H 1 45 LYS QG . . 3.600 2.812 2.319 3.250 . 0 0 "[ .]" 1
957 1 46 ASP QB 1 47 THR MG . . 4.440 2.913 2.763 3.121 . 0 0 "[ .]" 1
958 1 47 THR MG 1 110 VAL QG . . 3.820 4.175 3.951 4.388 0.568 2 1 "[ + .]" 1
959 1 50 MET H 1 50 MET QG . . 4.110 4.102 4.099 4.109 . 0 0 "[ .]" 1
960 1 50 MET H 1 107 LEU QD . . 5.440 5.848 5.610 6.197 0.757 4 1 "[ +.]" 1
961 1 50 MET HA 1 53 VAL QG . . 2.820 2.440 2.136 2.809 . 0 0 "[ .]" 1
962 1 50 MET QB 1 53 VAL QG . . 4.990 4.037 3.830 4.381 . 0 0 "[ .]" 1
963 1 51 LYS H 1 53 VAL QG . . 4.470 4.252 4.055 4.717 0.247 1 0 "[ .]" 1
964 1 51 LYS HA 1 51 LYS QG . . 3.480 2.527 2.259 3.384 . 0 0 "[ .]" 1
965 1 51 LYS HA 1 53 VAL QG . . 3.790 4.247 3.824 5.135 1.345 1 1 "[+ .]" 1
966 1 52 GLU HA 1 55 PHE QB . . 2.930 2.923 2.682 3.173 0.243 5 0 "[ .]" 1
967 1 53 VAL H 1 53 VAL QG . . 2.770 2.316 2.223 2.388 . 0 0 "[ .]" 1
968 1 53 VAL HB 1 57 LEU QD . . 5.440 5.920 5.504 6.483 1.043 3 2 "[ + -]" 1
969 1 53 VAL QG 1 54 LEU H . . 2.540 2.556 2.290 3.400 0.860 1 1 "[+ .]" 1
970 1 53 VAL QG 1 54 LEU HA . . 4.470 3.322 3.253 3.540 . 0 0 "[ .]" 1
971 1 53 VAL QG 1 54 LEU QB . . 5.360 3.474 2.984 4.246 . 0 0 "[ .]" 1
972 1 53 VAL QG 1 54 LEU QD . . 3.590 2.730 1.932 3.620 0.030 3 0 "[ .]" 1
973 1 53 VAL QG 1 57 LEU H . . 5.010 4.331 4.109 4.624 . 0 0 "[ .]" 1
974 1 53 VAL QG 1 57 LEU QB . . 5.440 3.641 3.295 4.059 . 0 0 "[ .]" 1
975 1 53 VAL QG 1 57 LEU QD . . 3.490 3.250 2.927 3.678 0.188 3 0 "[ .]" 1
976 1 53 VAL QG 1 103 ILE HB . . 3.940 5.067 4.582 5.722 1.782 3 5 [**+-*] 1
977 1 53 VAL QG 1 103 ILE MG . . 3.190 2.897 2.564 3.482 0.292 3 0 "[ .]" 1
978 1 53 VAL QG 1 103 ILE MD . . 4.250 3.809 3.246 4.810 0.560 3 1 "[ + .]" 1
979 1 53 VAL QG 1 104 TYR H . . 5.440 6.734 6.505 6.961 1.521 3 5 [**+-*] 1
980 1 54 LEU H 1 57 LEU QD . . 5.440 5.495 5.340 5.623 0.183 1 0 "[ .]" 1
981 1 54 LEU HA 1 57 LEU QD . . 3.270 3.639 3.481 3.825 0.555 1 1 "[+ .]" 1
982 1 55 PHE QB 1 58 GLY H . . 5.340 5.198 5.165 5.259 . 0 0 "[ .]" 1
983 1 56 TYR H 1 56 TYR QB . . 3.680 2.444 2.412 2.463 . 0 0 "[ .]" 1
984 1 56 TYR QB 1 57 LEU H . . 4.320 2.793 2.710 2.843 . 0 0 "[ .]" 1
985 1 57 LEU QB 1 82 LEU QD . . 4.050 4.631 4.513 4.745 0.695 5 4 "[*-* +]" 1
986 1 57 LEU QB 1 57 LEU QD . . 2.570 1.941 1.933 1.956 . 0 0 "[ .]" 1
987 1 57 LEU QD 1 60 TYR QB . . 2.780 3.424 3.305 3.672 0.892 5 5 [***-+] 1
988 1 57 LEU QD 1 60 TYR QE . . 5.440 5.533 5.317 6.057 0.617 5 1 "[ +]" 1
989 1 57 LEU QD 1 103 ILE MD . . 4.960 3.007 2.495 3.521 . 0 0 "[ .]" 1
990 1 59 GLN H 1 59 GLN QB . . 3.180 2.274 2.231 2.352 . 0 0 "[ .]" 1
991 1 59 GLN HA 1 62 MET QB . . 2.890 3.084 2.537 4.225 1.335 2 1 "[ + .]" 1
992 1 59 GLN QB 1 60 TYR H . . 4.340 2.882 2.783 3.073 . 0 0 "[ .]" 1
993 1 60 TYR H 1 62 MET QB . . 5.110 5.198 4.758 5.946 0.836 2 1 "[ + .]" 1
994 1 60 TYR QB 1 82 LEU QD . . 2.980 3.644 3.512 3.982 1.002 2 5 [*+-**] 1
995 1 60 TYR QE 1 64 LYS QG . . 4.650 3.313 2.888 3.818 . 0 0 "[ .]" 1
996 1 60 TYR QE 1 66 LEU QD . . 4.320 4.158 3.828 4.584 0.264 3 0 "[ .]" 1
997 1 61 ILE H 1 61 ILE QG . . 4.000 2.212 2.129 2.296 . 0 0 "[ .]" 1
998 1 61 ILE H 1 64 LYS QB . . 5.340 5.324 5.229 5.554 0.214 3 0 "[ .]" 1
999 1 61 ILE HA 1 61 ILE QG . . 2.880 2.862 2.473 3.435 0.555 2 1 "[ + .]" 1
1000 1 61 ILE HA 1 64 LYS QB . . 2.850 3.534 3.272 3.748 0.898 5 3 "[- *+]" 1
1001 1 61 ILE HA 1 66 LEU QB . . 3.190 3.034 2.372 3.711 0.521 3 1 "[ + .]" 1
1002 1 61 ILE HA 1 66 LEU QD . . 3.290 2.423 2.146 2.648 . 0 0 "[ .]" 1
1003 1 61 ILE QG 1 62 MET H . . 5.130 3.525 2.318 4.254 . 0 0 "[ .]" 1
1004 1 61 ILE QG 1 66 LEU QD . . 3.570 3.617 2.755 4.009 0.439 2 0 "[ .]" 1
1005 1 61 ILE QG 1 77 CYS HA . . 5.340 7.154 6.565 7.883 2.543 3 5 [**+*-] 1
1006 1 61 ILE HG13 1 82 LEU QD . . 6.170 4.154 2.902 5.771 . 0 0 "[ .]" 1
1007 1 61 ILE MD 1 66 LEU QB . . 5.010 4.023 3.304 4.439 . 0 0 "[ .]" 1
1008 1 62 MET H 1 62 MET QB . . 3.400 2.382 2.276 2.764 . 0 0 "[ .]" 1
1009 1 62 MET H 1 62 MET QG . . 4.390 3.654 2.014 4.102 . 0 0 "[ .]" 1
1010 1 62 MET H 1 66 LEU QD . . 5.060 4.972 4.859 5.085 0.025 1 0 "[ .]" 1
1011 1 62 MET QB 1 63 THR H . . 3.810 2.798 2.589 3.532 . 0 0 "[ .]" 1
1012 1 62 MET QB 1 63 THR HA . . 4.820 4.245 4.096 4.356 . 0 0 "[ .]" 1
1013 1 62 MET QG 1 63 THR H . . 4.490 3.610 2.389 4.183 . 0 0 "[ .]" 1
1014 1 63 THR H 1 66 LEU QD . . 5.440 5.448 5.269 5.668 0.228 3 0 "[ .]" 1
1015 1 63 THR HA 1 65 ARG QG . . 4.320 4.442 4.239 4.882 0.562 3 1 "[ + .]" 1
1016 1 64 LYS H 1 64 LYS QE . . 4.980 4.722 3.434 5.096 0.116 3 0 "[ .]" 1
1017 1 64 LYS H 1 66 LEU QD . . 4.170 3.917 3.569 4.307 0.137 3 0 "[ .]" 1
1018 1 64 LYS HA 1 64 LYS QD . . 3.650 2.431 2.157 3.261 . 0 0 "[ .]" 1
1019 1 64 LYS QB 1 64 LYS QD . . 3.270 2.486 2.189 2.615 . 0 0 "[ .]" 1
1020 1 64 LYS QB 1 65 ARG H . . 3.830 3.361 3.273 3.453 . 0 0 "[ .]" 1
1021 1 64 LYS QG 1 66 LEU QD . . 3.360 3.410 3.318 3.596 0.236 3 0 "[ .]" 1
1022 1 64 LYS QE 1 65 ARG H . . 5.340 5.773 4.857 6.065 0.725 2 4 "[-+* *]" 1
1023 1 65 ARG H 1 65 ARG QG . . 3.470 2.895 2.755 3.218 . 0 0 "[ .]" 1
1024 1 66 LEU H 1 66 LEU QB . . 3.250 2.422 2.250 2.592 . 0 0 "[ .]" 1
1025 1 66 LEU QB 1 75 VAL QG . . 4.040 3.118 2.418 3.443 . 0 0 "[ .]" 1
1026 1 66 LEU QD 1 75 VAL QG . . 4.440 3.536 3.323 3.904 . 0 0 "[ .]" 1
1027 1 67 TYR H 1 67 TYR QB . . 3.630 2.641 2.535 2.725 . 0 0 "[ .]" 1
1028 1 67 TYR QB 1 75 VAL HA . . 3.250 3.558 2.871 4.011 0.761 4 3 "[- *+.]" 1
1029 1 67 TYR QB 1 75 VAL QG . . 3.430 2.006 1.939 2.164 . 0 0 "[ .]" 1
1030 1 74 ILE MG 1 76 TYR QB . . 4.720 5.265 5.118 5.551 0.831 4 2 "[ -+.]" 1
1031 1 74 ILE QG 1 93 VAL QG . . 4.950 5.194 4.893 5.561 0.611 1 2 "[+ -.]" 1
1032 1 75 VAL H 1 93 VAL QG . . 5.400 4.484 4.268 4.857 . 0 0 "[ .]" 1
1033 1 75 VAL HA 1 93 VAL QG . . 4.610 4.936 4.548 5.350 0.740 4 2 "[- +.]" 1
1034 1 75 VAL QG 1 76 TYR QB . . 5.280 4.369 4.023 4.690 . 0 0 "[ .]" 1
1035 1 75 VAL QG 1 82 LEU HG . . 5.440 5.027 4.328 6.131 0.691 3 1 "[ + .]" 1
1036 1 77 CYS HA 1 80 ASP QB . . 5.060 5.279 4.343 6.070 1.010 3 1 "[ + .]" 1
1037 1 77 CYS QB 1 80 ASP H . . 5.340 4.282 3.283 6.145 0.805 4 1 "[ +.]" 1
1038 1 77 CYS QB 1 82 LEU H . . 5.060 4.929 4.352 5.648 0.588 4 1 "[ +.]" 1
1039 1 78 SER H 1 78 SER QB . . 3.260 2.646 2.395 2.836 . 0 0 "[ .]" 1
1040 1 78 SER QB 1 79 ASN H . . 4.390 3.761 3.201 3.971 . 0 0 "[ .]" 1
1041 1 78 SER QB 1 80 ASP H . . 5.060 4.991 4.229 5.749 0.689 4 1 "[ +.]" 1
1042 1 79 ASN H 1 79 ASN QB . . 3.700 3.305 3.276 3.332 . 0 0 "[ .]" 1
1043 1 79 ASN HA 1 79 ASN QB . . 2.600 2.402 2.391 2.421 . 0 0 "[ .]" 1
1044 1 80 ASP H 1 81 LEU QD . . 5.440 4.903 4.776 4.986 . 0 0 "[ .]" 1
1045 1 80 ASP QB 1 81 LEU H . . 3.950 2.153 1.963 2.288 . 0 0 "[ .]" 1
1046 1 80 ASP QB 1 82 LEU H . . 4.030 2.628 2.448 2.859 . 0 0 "[ .]" 1
1047 1 80 ASP QB 1 83 GLY H . . 4.630 4.540 4.186 4.996 0.366 4 0 "[ .]" 1
1048 1 81 LEU HA 1 81 LEU QD . . 3.320 3.195 3.191 3.200 . 0 0 "[ .]" 1
1049 1 81 LEU HB2 1 81 LEU QD . . 2.680 2.452 2.163 2.571 . 0 0 "[ .]" 1
1050 1 81 LEU HB3 1 81 LEU QD . . 2.520 2.230 2.145 2.476 . 0 0 "[ .]" 1
1051 1 81 LEU QD 1 82 LEU HA . . 3.460 3.068 2.764 3.295 . 0 0 "[ .]" 1
1052 1 81 LEU QD 1 83 GLY H . . 4.630 4.590 4.304 4.808 0.178 5 0 "[ .]" 1
1053 1 81 LEU QD 1 84 ASP H . . 4.640 4.631 4.080 4.928 0.288 1 0 "[ .]" 1
1054 1 81 LEU QD 1 85 LEU H . . 5.440 5.022 4.150 5.673 0.233 1 0 "[ .]" 1
1055 1 81 LEU QD 1 85 LEU HG . . 4.430 4.604 3.005 5.350 0.920 1 3 "[+ -*]" 1
1056 1 81 LEU QD 1 85 LEU QD . . 3.960 2.869 2.485 3.446 . 0 0 "[ .]" 1
1057 1 82 LEU H 1 82 LEU QD . . 4.130 3.524 3.371 3.644 . 0 0 "[ .]" 1
1058 1 82 LEU QD 1 83 GLY HA2 . . 4.320 3.601 3.460 3.925 . 0 0 "[ .]" 1
1059 1 82 LEU QD 1 84 ASP H . . 4.640 4.523 4.424 4.679 0.039 3 0 "[ .]" 1
1060 1 82 LEU QD 1 85 LEU H . . 4.600 4.365 3.864 4.756 0.156 1 0 "[ .]" 1
1061 1 82 LEU QD 1 85 LEU QB . . 3.760 4.359 2.746 5.150 1.390 1 4 "[+- **]" 1
1062 1 82 LEU QD 1 86 PHE H . . 4.810 3.958 3.385 4.660 . 0 0 "[ .]" 1
1063 1 86 PHE HA 1 88 VAL QG . . 4.610 4.268 4.050 4.468 . 0 0 "[ .]" 1
1064 1 87 GLY QA 1 88 VAL H . . 3.030 2.777 2.691 2.873 . 0 0 "[ .]" 1
1065 1 87 GLY QA 1 88 VAL QG . . 4.320 3.793 3.447 3.924 . 0 0 "[ .]" 1
1066 1 88 VAL HA 1 89 PRO QD . . 3.260 2.106 2.093 2.140 . 0 0 "[ .]" 1
1067 1 88 VAL HB 1 89 PRO QD . . 4.240 3.539 2.499 3.829 . 0 0 "[ .]" 1
1068 1 88 VAL QG 1 89 PRO QG . . 5.070 3.464 3.070 4.252 . 0 0 "[ .]" 1
1069 1 88 VAL QG 1 89 PRO QD . . 4.190 2.251 2.051 2.856 . 0 0 "[ .]" 1
1070 1 88 VAL QG 1 91 PHE QB . . 3.880 2.414 2.135 3.239 . 0 0 "[ .]" 1
1071 1 89 PRO QG 1 90 SER H . . 3.410 2.313 2.238 2.377 . 0 0 "[ .]" 1
1072 1 89 PRO QD 1 90 SER H . . 3.960 2.764 2.554 3.021 . 0 0 "[ .]" 1
1073 1 91 PHE H 1 91 PHE QB . . 3.450 3.054 2.555 3.232 . 0 0 "[ .]" 1
1074 1 91 PHE HA 1 91 PHE QB . . 2.590 2.247 2.185 2.483 . 0 0 "[ .]" 1
1075 1 91 PHE QB 1 92 SER H . . 3.320 2.600 2.340 3.306 . 0 0 "[ .]" 1
1076 1 92 SER H 1 92 SER QB . . 2.650 2.408 2.349 2.438 . 0 0 "[ .]" 1
1077 1 92 SER H 1 95 GLU QB . . 4.570 4.499 4.140 5.190 0.620 3 1 "[ + .]" 1
1078 1 92 SER QB 1 95 GLU HA . . 5.340 4.540 4.399 4.771 . 0 0 "[ .]" 1
1079 1 93 VAL H 1 94 LYS QE . . 5.340 4.830 2.944 5.906 0.566 2 1 "[ + .]" 1
1080 1 93 VAL HA 1 93 VAL QG . . 3.150 2.248 2.226 2.302 . 0 0 "[ .]" 1
1081 1 93 VAL QG 1 99 ILE MG . . 4.260 4.947 4.735 5.176 0.916 2 4 "[*+- *]" 1
1082 1 93 VAL QG 1 94 LYS QB . . 3.940 3.110 2.993 3.262 . 0 0 "[ .]" 1
1083 1 93 VAL QG 1 94 LYS QG . . 4.440 3.759 3.412 3.950 . 0 0 "[ .]" 1
1084 1 93 VAL QG 1 94 LYS QE . . 2.880 3.439 2.171 4.316 1.436 2 3 "[ +* -]" 1
1085 1 94 LYS H 1 94 LYS QB . . 3.480 2.681 2.621 2.802 . 0 0 "[ .]" 1
1086 1 94 LYS H 1 94 LYS QG . . 3.160 2.222 2.058 2.436 . 0 0 "[ .]" 1
1087 1 94 LYS H 1 94 LYS QE . . 5.040 3.536 2.068 4.448 . 0 0 "[ .]" 1
1088 1 94 LYS H 1 95 GLU QB . . 4.580 4.608 4.459 4.754 0.174 3 0 "[ .]" 1
1089 1 94 LYS HA 1 94 LYS QG . . 3.430 3.410 3.400 3.416 . 0 0 "[ .]" 1
1090 1 94 LYS QB 1 94 LYS QE . . 3.650 2.218 2.165 2.288 . 0 0 "[ .]" 1
1091 1 94 LYS QB 1 95 GLU H . . 3.950 3.677 3.608 3.793 . 0 0 "[ .]" 1
1092 1 94 LYS QB 1 95 GLU HA . . 4.590 4.477 4.401 4.524 . 0 0 "[ .]" 1
1093 1 95 GLU H 1 95 GLU QB . . 2.990 2.374 2.239 2.484 . 0 0 "[ .]" 1
1094 1 95 GLU HA 1 98 LYS QD . . 5.330 5.505 4.975 6.044 0.714 2 2 "[-+ .]" 1
1095 1 95 GLU QB 1 98 LYS H . . 3.010 3.145 2.912 3.295 0.285 1 0 "[ .]" 1
1096 1 95 GLU QB 1 98 LYS QB . . 3.520 2.585 2.345 3.118 . 0 0 "[ .]" 1
1097 1 95 GLU QB 1 99 ILE H . . 5.320 4.203 3.756 4.733 . 0 0 "[ .]" 1
1098 1 96 HIS H 1 96 HIS QB . . 3.620 2.569 2.491 2.653 . 0 0 "[ .]" 1
1099 1 96 HIS HA 1 96 HIS QB . . 2.610 2.327 2.300 2.358 . 0 0 "[ .]" 1
1100 1 96 HIS QB 1 97 ARG H . . 3.950 2.938 2.579 3.197 . 0 0 "[ .]" 1
1101 1 98 LYS H 1 98 LYS QD . . 4.600 4.284 4.033 4.654 0.054 1 0 "[ .]" 1
1102 1 98 LYS QD 1 99 ILE MG . . 5.250 5.053 4.580 6.021 0.771 1 1 "[+ .]" 1
1103 1 99 ILE H 1 100 TYR QB . . 5.150 4.296 4.094 4.395 . 0 0 "[ .]" 1
1104 1 100 TYR H 1 100 TYR QB . . 3.280 2.145 2.129 2.158 . 0 0 "[ .]" 1
1105 1 102 MET H 1 103 ILE QG . . 5.000 4.153 4.015 4.300 . 0 0 "[ .]" 1
1106 1 103 ILE H 1 103 ILE QG . . 4.050 2.229 2.106 2.333 . 0 0 "[ .]" 1
1107 1 103 ILE H 1 106 ASN QB . . 5.340 5.820 5.563 6.039 0.699 4 3 "[* +-]" 1
1108 1 103 ILE HA 1 103 ILE QG . . 2.700 2.481 2.439 2.534 . 0 0 "[ .]" 1
1109 1 103 ILE HA 1 106 ASN QB . . 4.760 3.677 3.274 3.877 . 0 0 "[ .]" 1
1110 1 103 ILE HA 1 107 LEU QD . . 5.200 4.508 4.362 4.657 . 0 0 "[ .]" 1
1111 1 103 ILE MG 1 106 ASN QB . . 4.370 4.742 4.234 5.003 0.633 2 2 "[-+ .]" 1
1112 1 103 ILE QG 1 104 TYR H . . 4.700 4.218 4.152 4.312 . 0 0 "[ .]" 1
1113 1 104 TYR H 1 105 ARG QB . . 4.500 4.608 4.546 4.661 0.161 2 0 "[ .]" 1
1114 1 104 TYR H 1 106 ASN QB . . 5.340 5.848 5.411 6.065 0.725 4 4 "[*- +*]" 1
1115 1 104 TYR QD 1 107 LEU QD . . 5.280 3.197 3.009 3.388 . 0 0 "[ .]" 1
1116 1 105 ARG H 1 105 ARG QB . . 2.960 2.388 2.369 2.415 . 0 0 "[ .]" 1
1117 1 105 ARG HA 1 107 LEU QD . . 3.900 3.732 3.502 4.047 0.147 3 0 "[ .]" 1
1118 1 106 ASN H 1 106 ASN QB . . 3.520 2.493 2.364 2.657 . 0 0 "[ .]" 1
1119 1 106 ASN H 1 107 LEU QD . . 4.610 3.120 2.616 3.470 . 0 0 "[ .]" 1
1120 1 106 ASN HA 1 107 LEU QD . . 4.470 4.325 4.177 4.541 0.071 3 0 "[ .]" 1
1121 1 106 ASN QB 1 107 LEU H . . 4.280 3.889 3.674 3.967 . 0 0 "[ .]" 1
1122 1 107 LEU H 1 107 LEU QD . . 2.470 2.116 2.047 2.174 . 0 0 "[ .]" 1
1123 1 107 LEU QD 1 108 VAL HA . . 3.120 3.060 2.986 3.141 0.021 3 0 "[ .]" 1
1124 1 107 LEU QD 1 108 VAL QG . . 3.330 3.407 3.342 3.462 0.132 1 0 "[ .]" 1
1125 1 107 LEU QD 1 109 VAL H . . 4.420 3.371 2.855 3.641 . 0 0 "[ .]" 1
1126 1 107 LEU QD 1 109 VAL HA . . 3.060 3.344 2.962 3.650 0.590 2 2 "[-+ .]" 1
1127 1 109 VAL H 1 109 VAL QG . . 3.690 2.129 1.988 2.238 . 0 0 "[ .]" 1
1128 1 109 VAL QG 1 111 ASN H . . 3.670 4.018 3.666 4.332 0.662 3 2 "[ +-.]" 1
1129 1 109 VAL QG 1 111 ASN HA . . 4.340 4.833 4.532 5.086 0.746 4 3 "[- +*]" 1
1130 1 109 VAL QG 1 112 GLN H . . 4.110 4.459 4.238 4.737 0.627 3 1 "[ + .]" 1
1131 1 111 ASN HA 1 111 ASN QB . . 2.620 2.367 2.184 2.471 . 0 0 "[ .]" 1
1132 1 112 GLN H 1 112 GLN QB . . 2.810 2.367 2.300 2.490 . 0 0 "[ .]" 1
1133 1 112 GLN H 1 112 GLN QG . . 3.160 2.845 2.697 3.048 . 0 0 "[ .]" 1
1134 1 112 GLN HA 1 112 GLN QG . . 2.570 2.418 2.284 2.589 0.019 2 0 "[ .]" 1
1135 1 112 GLN QG 1 113 GLN H . . 4.250 4.043 3.763 4.591 0.341 3 0 "[ .]" 1
1136 1 115 SER QB 1 116 SER H . . 4.290 3.546 3.019 3.997 . 0 0 "[ .]" 1
1137 1 121 SER HA 1 121 SER QB . . 2.640 2.392 2.374 2.407 . 0 0 "[ .]" 1
1138 1 122 VAL H 1 122 VAL QG . . 4.110 2.548 2.161 2.712 . 0 0 "[ .]" 1
1139 1 48 TYR HA 1 49 THR HA . . 4.580 4.483 4.462 4.499 . 0 0 "[ .]" 1
1140 1 65 ARG HA 1 66 LEU HA . . 5.380 4.476 4.450 4.496 . 0 0 "[ .]" 1
1141 1 19 ILE HA 1 97 ARG QB . . 4.520 6.415 5.775 6.924 2.404 5 5 [**-*+] 1
1142 1 19 ILE MD 1 19 ILE MG . . 3.340 2.046 2.029 2.067 . 0 0 "[ .]" 1
1143 1 19 ILE QG 1 19 ILE MG . . 3.180 2.314 2.287 2.335 . 0 0 "[ .]" 1
1144 1 19 ILE H 1 19 ILE MD . . 4.660 4.020 3.811 4.116 . 0 0 "[ .]" 1
1145 1 99 ILE MG 1 100 TYR QD . . 5.110 6.193 5.104 6.541 1.431 2 4 "[ +-**]" 1
1146 1 66 LEU HA 1 67 TYR QD . . 5.370 5.413 5.320 5.502 0.132 2 0 "[ .]" 1
1147 1 19 ILE MD 1 100 TYR QD . . 4.950 2.807 2.530 3.229 . 0 0 "[ .]" 1
1148 1 21 ALA HA 1 24 GLN HA . . 5.500 5.111 4.948 5.217 . 0 0 "[ .]" 1
1149 1 21 ALA MB 1 25 GLU QB . . 4.850 3.835 3.410 4.171 . 0 0 "[ .]" 1
1150 1 21 ALA HA 1 25 GLU QB . . 4.990 4.407 4.039 4.647 . 0 0 "[ .]" 1
1151 1 55 PHE HA 1 57 LEU QB . . 5.490 5.326 5.197 5.482 . 0 0 "[ .]" 1
1152 1 22 SER HA 1 23 GLU HA . . 5.100 4.702 4.691 4.713 . 0 0 "[ .]" 1
1153 1 26 THR HA 1 49 THR MG . . 4.110 5.197 5.032 5.424 1.314 2 5 [*+-**] 1
1154 1 26 THR HB 1 28 VAL QG . . 4.630 3.797 3.660 3.899 . 0 0 "[ .]" 1
1155 1 26 THR MG 1 109 VAL HB . . 3.960 2.186 2.113 2.344 . 0 0 "[ .]" 1
1156 1 26 THR MG 1 111 ASN HB2 . . 5.500 3.092 2.232 4.281 . 0 0 "[ .]" 1
1157 1 26 THR MG 1 111 ASN HB3 . . 5.500 4.097 3.686 4.776 . 0 0 "[ .]" 1
1158 1 26 THR HA 1 26 THR MG . . 3.560 2.348 2.311 2.377 . 0 0 "[ .]" 1
1159 1 26 THR HA 1 49 THR HB . . 5.460 5.842 5.620 6.183 0.723 2 2 "[ + -.]" 1
1160 1 25 GLU HA 1 26 THR MG . . 5.500 5.742 5.662 5.839 0.339 4 0 "[ .]" 1
1161 1 27 LEU HB2 1 47 THR MG . . 5.500 5.756 5.246 6.067 0.567 2 1 "[ + .]" 1
1162 1 27 LEU HB2 1 110 VAL HB . . 5.100 3.324 2.424 4.128 . 0 0 "[ .]" 1
1163 1 27 LEU HB3 1 110 VAL HB . . 5.100 3.556 2.958 4.397 . 0 0 "[ .]" 1
1164 1 27 LEU HB3 1 47 THR MG . . 5.500 4.723 3.943 5.432 . 0 0 "[ .]" 1
1165 1 27 LEU HA 1 49 THR HA . . 3.930 2.464 2.329 2.856 . 0 0 "[ .]" 1
1166 1 107 LEU HA 1 108 VAL HA . . 5.500 4.445 4.412 4.466 . 0 0 "[ .]" 1
1167 1 26 THR MG 1 28 VAL HA . . 4.720 4.678 4.394 4.794 0.074 2 0 "[ .]" 1
1168 1 28 VAL HA 1 29 ARG QB . . 5.500 4.383 4.320 4.520 . 0 0 "[ .]" 1
1169 1 28 VAL QG 1 50 MET QB . . 4.550 3.228 3.063 3.403 . 0 0 "[ .]" 1
1170 1 28 VAL QG 1 109 VAL HA . . 3.790 3.077 2.991 3.284 . 0 0 "[ .]" 1
1171 1 28 VAL QG 1 50 MET HA . . 3.970 3.073 2.846 3.245 . 0 0 "[ .]" 1
1172 1 28 VAL HA 1 110 VAL HA . . 5.120 5.931 5.730 6.107 0.987 5 5 [***-+] 1
1173 1 28 VAL HB 1 109 VAL HA . . 4.860 4.871 4.526 5.243 0.383 4 0 "[ .]" 1
1174 1 29 ARG HA 1 29 ARG HD2 . . 4.850 4.275 2.264 4.854 0.004 1 0 "[ .]" 1
1175 1 29 ARG HA 1 29 ARG HD3 . . 4.850 4.377 3.860 4.625 . 0 0 "[ .]" 1
1176 1 29 ARG QB 1 47 THR MG . . 4.520 4.070 3.909 4.339 . 0 0 "[ .]" 1
1177 1 81 LEU HA 1 81 LEU HB3 . . 2.400 2.349 2.299 2.506 0.106 3 0 "[ .]" 1
1178 1 33 LEU HB2 1 33 LEU QD . . 2.720 2.401 2.286 2.489 . 0 0 "[ .]" 1
1179 1 33 LEU HB2 1 33 LEU HG . . 2.960 2.348 2.298 2.417 . 0 0 "[ .]" 1
1180 1 33 LEU HG 1 84 ASP HA . . 5.310 6.185 5.737 6.436 1.126 1 4 "[+*- *]" 1
1181 1 34 LEU QB 1 35 LEU HA . . 4.050 4.039 3.983 4.123 0.073 2 0 "[ .]" 1
1182 1 35 LEU QD 1 36 LYS QB . . 3.820 3.626 3.052 5.265 1.445 4 1 "[ +.]" 1
1183 1 36 LYS HA 1 36 LYS HD2 . . 4.970 4.492 4.384 4.705 . 0 0 "[ .]" 1
1184 1 36 LYS HA 1 36 LYS HD3 . . 4.970 4.566 4.475 4.636 . 0 0 "[ .]" 1
1185 1 37 LEU QD 1 38 LEU H . . 2.800 3.156 3.024 3.290 0.490 5 0 "[ .]" 1
1186 1 37 LEU QD 1 60 TYR QB . . 4.220 2.496 2.209 3.094 . 0 0 "[ .]" 1
1187 1 37 LEU QD 1 85 LEU HG . . 3.250 3.933 3.525 4.395 1.145 3 4 "[ *+*-]" 1
1188 1 35 LEU QD 1 36 LYS HA . . 2.910 3.710 3.192 5.268 2.358 4 2 "[ - +.]" 1
1189 1 60 TYR QE 1 82 LEU HA . . 5.280 5.239 4.801 5.478 0.198 5 0 "[ .]" 1
1190 1 38 LEU HA 1 56 TYR QD . . 4.980 5.094 4.908 5.302 0.322 3 0 "[ .]" 1
1191 1 38 LEU QD 1 56 TYR QD . . 3.490 2.514 2.326 2.801 . 0 0 "[ .]" 1
1192 1 36 LYS HA 1 39 LYS HA . . 5.500 5.336 5.264 5.367 . 0 0 "[ .]" 1
1193 1 38 LEU HG 1 41 VAL QG . . 5.500 4.650 4.505 4.778 . 0 0 "[ .]" 1
1194 1 40 SER HA 1 41 VAL HA . . 4.740 4.762 4.694 4.810 0.070 4 0 "[ .]" 1
1195 1 41 VAL HB 1 60 TYR HA . . 3.710 4.515 4.266 4.774 1.064 4 5 [-**+*] 1
1196 1 41 VAL QG 1 61 ILE H . . 5.160 5.169 5.062 5.284 0.124 2 0 "[ .]" 1
1197 1 43 ALA HA 1 48 TYR QD . . 5.440 5.477 5.283 5.798 0.358 3 0 "[ .]" 1
1198 1 43 ALA MB 1 48 TYR QE . . 4.480 2.589 2.305 3.137 . 0 0 "[ .]" 1
1199 1 35 LEU HA 1 43 ALA MB . . 5.460 6.259 6.031 6.569 1.109 3 5 [-*+**] 1
1200 1 41 VAL QG 1 43 ALA HA . . 5.390 4.898 4.666 5.035 . 0 0 "[ .]" 1
1201 1 28 VAL H 1 47 THR MG . . 4.910 4.977 4.623 5.215 0.305 2 0 "[ .]" 1
1202 1 47 THR MG 1 48 TYR QD . . 4.830 5.455 5.397 5.501 0.671 4 5 [-**+*] 1
1203 1 29 ARG HA 1 47 THR MG . . 4.250 3.081 2.934 3.318 . 0 0 "[ .]" 1
1204 1 46 ASP HA 1 47 THR MG . . 4.960 4.276 4.106 4.378 . 0 0 "[ .]" 1
1205 1 9 PRO HA 1 10 THR MG . . 5.490 5.453 5.427 5.467 . 0 0 "[ .]" 1
1206 1 29 ARG HA 1 47 THR HA . . 4.260 3.612 3.452 3.777 . 0 0 "[ .]" 1
1207 1 47 THR HB 1 49 THR MG . . 5.500 5.251 5.078 5.375 . 0 0 "[ .]" 1
1208 1 47 THR HA 1 47 THR MG . . 3.520 2.378 2.341 2.424 . 0 0 "[ .]" 1
1209 1 47 THR HA 1 48 TYR HA . . 4.780 4.443 4.427 4.461 . 0 0 "[ .]" 1
1210 1 47 THR HB 1 48 TYR HA . . 4.340 4.628 4.565 4.681 0.341 4 0 "[ .]" 1
1211 1 47 THR MG 1 48 TYR HA . . 5.130 5.591 5.574 5.616 0.486 4 0 "[ .]" 1
1212 1 49 THR HB 1 51 LYS QB . . 4.510 3.861 3.582 4.574 0.064 4 0 "[ .]" 1
1213 1 49 THR HB 1 52 GLU QB . . 4.560 4.324 4.171 4.483 . 0 0 "[ .]" 1
1214 1 49 THR HA 1 52 GLU QB . . 5.080 4.784 4.574 4.980 . 0 0 "[ .]" 1
1215 1 25 GLU QB 1 49 THR MG . . 4.090 5.472 5.034 6.007 1.917 5 5 [**-*+] 1
1216 1 49 THR MG 1 50 MET QB . . 4.740 4.990 4.915 5.056 0.316 1 0 "[ .]" 1
1217 1 26 THR HB 1 49 THR MG . . 5.500 6.333 6.196 6.401 0.901 2 5 [*+-**] 1
1218 1 49 THR HA 1 49 THR MG . . 3.620 2.376 2.341 2.454 . 0 0 "[ .]" 1
1219 1 50 MET HA 1 53 VAL H . . 3.920 3.739 3.625 3.873 . 0 0 "[ .]" 1
1220 1 50 MET HA 1 53 VAL HB . . 3.540 3.422 3.207 3.528 . 0 0 "[ .]" 1
1221 1 49 THR MG 1 50 MET HA . . 5.500 5.656 5.612 5.718 0.218 1 0 "[ .]" 1
1222 1 50 MET HA 1 107 LEU QB . . 5.500 6.311 6.205 6.420 0.920 2 5 [*+*-*] 1
1223 1 50 MET QB 1 51 LYS HA . . 4.790 4.194 4.121 4.259 . 0 0 "[ .]" 1
1224 1 51 LYS HA 1 53 VAL HB . . 5.100 5.966 5.065 6.421 1.321 3 4 "[ *+-*]" 1
1225 1 53 VAL HB 1 54 LEU H . . 3.750 3.845 3.023 4.084 0.334 5 0 "[ .]" 1
1226 1 54 LEU HA 1 57 LEU H . . 4.870 3.517 3.360 3.706 . 0 0 "[ .]" 1
1227 1 51 LYS HA 1 54 LEU QD . . 2.620 4.363 3.704 4.796 2.176 3 5 [**+-*] 1
1228 1 53 VAL HA 1 54 LEU QD . . 4.830 5.091 4.564 5.855 1.025 3 1 "[ + .]" 1
1229 1 53 VAL HB 1 54 LEU QD . . 4.050 4.839 3.910 6.180 2.130 3 2 "[ + -]" 1
1230 1 54 LEU HA 1 103 ILE MG . . 4.480 4.921 4.474 5.254 0.774 1 3 "[+* -.]" 1
1231 1 57 LEU H 1 57 LEU QD . . 3.820 3.773 3.765 3.778 . 0 0 "[ .]" 1
1232 1 57 LEU HA 1 57 LEU QD . . 2.680 2.545 2.361 2.619 . 0 0 "[ .]" 1
1233 1 57 LEU HA 1 61 ILE MD . . 5.500 5.564 4.517 7.364 1.864 2 2 "[ +- .]" 1
1234 1 59 GLN HA 1 63 THR MG . . 4.630 4.626 4.506 4.698 0.068 3 0 "[ .]" 1
1235 1 58 GLY QA 1 61 ILE MG . . 5.270 4.054 3.642 4.457 . 0 0 "[ .]" 1
1236 1 61 ILE HA 1 66 LEU HB2 . . 3.400 3.100 2.393 3.832 0.432 3 0 "[ .]" 1
1237 1 58 GLY QA 1 61 ILE MD . . 3.060 2.636 2.211 3.791 0.731 2 1 "[ + .]" 1
1238 1 61 ILE HA 1 62 MET HA . . 4.880 4.740 4.702 4.779 . 0 0 "[ .]" 1
1239 1 61 ILE MD 1 66 LEU HB2 . . 5.130 4.328 3.365 4.918 . 0 0 "[ .]" 1
1240 1 61 ILE MG 1 62 MET HA . . 3.650 4.466 3.696 5.602 1.952 3 2 "[ -+ .]" 1
1241 1 59 GLN H 1 61 ILE MD . . 5.500 5.443 5.152 6.108 0.608 2 1 "[ + .]" 1
1242 1 61 ILE H 1 61 ILE MG . . 4.320 3.220 2.258 3.829 . 0 0 "[ .]" 1
1243 1 63 THR HA 1 63 THR MG . . 3.340 3.259 3.257 3.264 . 0 0 "[ .]" 1
1244 1 60 TYR QE 1 64 LYS HG2 . . 5.500 3.951 3.533 4.344 . 0 0 "[ .]" 1
1245 1 60 TYR QE 1 64 LYS HG3 . . 5.500 3.694 3.064 4.986 . 0 0 "[ .]" 1
1246 1 65 ARG HA 1 67 TYR QD . . 4.530 4.621 4.395 4.831 0.301 1 0 "[ .]" 1
1247 1 61 ILE MG 1 67 TYR HA . . 5.220 5.594 4.344 7.067 1.847 2 2 "[ +- .]" 1
1248 1 77 CYS HA 1 82 LEU HG . . 4.980 4.921 4.375 5.550 0.570 4 1 "[ +.]" 1
1249 1 67 TYR HA 1 75 VAL HA . . 3.820 3.256 2.488 3.683 . 0 0 "[ .]" 1
1250 1 74 ILE HA 1 74 ILE MD . . 3.490 3.645 3.587 3.682 0.192 1 0 "[ .]" 1
1251 1 74 ILE MD 1 74 ILE MG . . 3.730 2.275 2.225 2.387 . 0 0 "[ .]" 1
1252 1 74 ILE MG 1 90 SER QB . . 4.300 3.731 2.949 4.303 0.003 3 0 "[ .]" 1
1253 1 74 ILE MD 1 92 SER HA . . 3.880 4.414 4.113 4.677 0.797 3 3 "[- +*.]" 1
1254 1 67 TYR HA 1 74 ILE MG . . 5.500 6.084 5.495 6.834 1.334 1 2 "[+ -.]" 1
1255 1 61 ILE HB 1 67 TYR QD . . 4.810 4.225 3.890 4.535 . 0 0 "[ .]" 1
1256 1 74 ILE MD 1 95 GLU H . . 5.500 7.949 7.797 8.072 2.572 3 5 [*-+**] 1
1257 1 74 ILE MG 1 76 TYR QD . . 4.950 3.970 3.767 4.350 . 0 0 "[ .]" 1
1258 1 67 TYR HB2 1 75 VAL HA . . 4.100 3.938 3.104 4.594 0.494 3 0 "[ .]" 1
1259 1 67 TYR HB3 1 75 VAL HA . . 4.100 4.084 3.384 4.498 0.398 4 0 "[ .]" 1
1260 1 74 ILE HA 1 75 VAL HA . . 5.060 4.444 4.419 4.463 . 0 0 "[ .]" 1
1261 1 67 TYR QD 1 75 VAL HA . . 5.500 5.573 4.861 6.061 0.561 4 1 "[ +.]" 1
1262 1 67 TYR H 1 75 VAL HA . . 5.280 5.510 5.051 6.067 0.787 1 1 "[+ .]" 1
1263 1 75 VAL HA 1 76 TYR QD . . 5.500 3.521 3.437 3.622 . 0 0 "[ .]" 1
1264 1 67 TYR H 1 75 VAL HB . . 5.470 4.955 4.593 5.763 0.293 2 0 "[ .]" 1
1265 1 74 ILE MG 1 76 TYR HA . . 4.650 5.229 4.852 5.482 0.832 3 4 "[ -+**]" 1
1266 1 76 TYR HA 1 90 SER HA . . 4.120 3.231 2.945 3.530 . 0 0 "[ .]" 1
1267 1 76 TYR HA 1 76 TYR QD . . 4.180 2.919 2.872 2.964 . 0 0 "[ .]" 1
1268 1 110 VAL HA 1 111 ASN HA . . 4.670 4.658 4.636 4.685 0.015 3 0 "[ .]" 1
1269 1 78 SER HA 1 79 ASN HA . . 4.960 4.651 4.383 4.958 . 0 0 "[ .]" 1
1270 1 109 VAL HB 1 111 ASN HA . . 5.120 5.203 4.820 5.363 0.243 1 0 "[ .]" 1
1271 1 79 ASN HB3 1 80 ASP HA . . 5.110 4.840 4.751 4.892 . 0 0 "[ .]" 1
1272 1 79 ASN HB2 1 80 ASP HA . . 5.110 5.214 5.068 5.376 0.266 4 0 "[ .]" 1
1273 1 80 ASP HA 1 81 LEU HA . . 4.840 4.381 4.347 4.417 . 0 0 "[ .]" 1
1274 1 60 TYR QE 1 82 LEU QD . . 4.150 3.367 2.566 3.861 . 0 0 "[ .]" 1
1275 1 82 LEU QD 1 86 PHE QE . . 4.310 2.529 2.152 3.466 . 0 0 "[ .]" 1
1276 1 77 CYS HA 1 82 LEU QD . . 4.820 4.804 4.190 5.178 0.358 4 0 "[ .]" 1
1277 1 85 LEU HA 1 85 LEU HG . . 4.150 3.578 2.985 3.742 . 0 0 "[ .]" 1
1278 1 85 LEU HA 1 86 PHE QD . . 5.450 5.257 5.057 5.663 0.213 1 0 "[ .]" 1
1279 1 86 PHE HA 1 86 PHE QD . . 4.100 2.356 2.075 2.697 . 0 0 "[ .]" 1
1280 1 88 VAL MG1 1 88 VAL MG2 . . 3.070 2.115 2.106 2.118 . 0 0 "[ .]" 1
1281 1 74 ILE MG 1 91 PHE HA . . 5.390 6.272 5.601 7.099 1.709 3 4 "[ *+-*]" 1
1282 1 75 VAL QG 1 91 PHE HA . . 5.500 4.406 4.145 4.689 . 0 0 "[ .]" 1
1283 1 91 PHE HA 1 99 ILE MG . . 5.500 5.398 4.466 7.346 1.846 1 1 "[+ .]" 1
1284 1 74 ILE MG 1 92 SER HA . . 4.710 5.421 5.061 6.087 1.377 3 3 "[- +*.]" 1
1285 1 75 VAL QG 1 92 SER HA . . 4.860 3.787 3.419 4.093 . 0 0 "[ .]" 1
1286 1 74 ILE HB 1 92 SER HA . . 4.570 4.547 4.092 5.344 0.774 3 1 "[ + .]" 1
1287 1 74 ILE HA 1 92 SER HA . . 4.000 2.907 2.427 3.776 . 0 0 "[ .]" 1
1288 1 93 VAL QG 1 94 LYS HB2 . . 5.280 4.392 4.292 4.546 . 0 0 "[ .]" 1
1289 1 93 VAL QG 1 94 LYS HG2 . . 4.490 3.902 3.505 4.112 . 0 0 "[ .]" 1
1290 1 93 VAL HA 1 99 ILE MD . . 4.180 2.997 2.564 3.548 . 0 0 "[ .]" 1
1291 1 93 VAL QG 1 94 LYS HB3 . . 4.260 3.181 3.055 3.343 . 0 0 "[ .]" 1
1292 1 93 VAL HA 1 99 ILE HB . . 5.500 6.334 5.885 6.833 1.333 5 4 "[-* *+]" 1
1293 1 93 VAL QG 1 95 GLU H . . 4.890 4.219 4.064 4.324 . 0 0 "[ .]" 1
1294 1 93 VAL HA 1 95 GLU H . . 4.060 4.301 4.123 4.466 0.406 2 0 "[ .]" 1
1295 1 93 VAL HA 1 96 HIS HD2 . . 4.240 5.165 4.622 5.822 1.582 4 3 "[-* +.]" 1
1296 1 93 VAL QG 1 94 LYS HA . . 4.280 3.226 3.183 3.297 . 0 0 "[ .]" 1
1297 1 94 LYS HA 1 94 LYS HG2 . . 3.760 3.653 3.644 3.662 . 0 0 "[ .]" 1
1298 1 93 VAL QG 1 94 LYS HG3 . . 5.370 4.924 4.691 5.107 . 0 0 "[ .]" 1
1299 1 94 LYS HB2 1 95 GLU HA . . 4.510 4.660 4.561 4.724 0.214 5 0 "[ .]" 1
1300 1 95 GLU HA 1 98 LYS QB . . 4.780 4.848 4.587 5.392 0.612 5 1 "[ +]" 1
1301 1 19 ILE MD 1 96 HIS HA . . 5.350 4.979 4.549 5.192 . 0 0 "[ .]" 1
1302 1 96 HIS HA 1 99 ILE MD . . 4.130 2.889 2.071 3.374 . 0 0 "[ .]" 1
1303 1 96 HIS HA 1 96 HIS HD2 . . 4.220 2.693 2.552 2.988 . 0 0 "[ .]" 1
1304 1 99 ILE HA 1 99 ILE MD . . 4.180 4.017 3.730 4.208 0.028 2 0 "[ .]" 1
1305 1 100 TYR HA 1 103 ILE MD . . 3.660 2.207 2.103 2.315 . 0 0 "[ .]" 1
1306 1 100 TYR HA 1 103 ILE HB . . 4.450 2.904 2.685 3.174 . 0 0 "[ .]" 1
1307 1 54 LEU HG 1 100 TYR HA . . 4.850 6.243 5.775 7.539 2.689 3 5 [**+-*] 1
1308 1 99 ILE HB 1 100 TYR HA . . 4.650 4.462 4.252 4.722 0.072 3 0 "[ .]" 1
1309 1 100 TYR HA 1 100 TYR QD . . 4.450 2.649 2.548 2.755 . 0 0 "[ .]" 1
1310 1 101 THR HA 1 104 TYR QD . . 4.150 4.499 4.254 4.755 0.605 2 1 "[ + .]" 1
1311 1 103 ILE HA 1 103 ILE MG . . 3.650 2.474 2.395 2.540 . 0 0 "[ .]" 1
1312 1 61 ILE HA 1 61 ILE MG . . 2.630 2.426 2.328 2.510 . 0 0 "[ .]" 1
1313 1 54 LEU QD 1 103 ILE MD . . 4.610 2.021 1.922 2.158 . 0 0 "[ .]" 1
1314 1 103 ILE HB 1 103 ILE MD . . 3.690 2.334 2.328 2.342 . 0 0 "[ .]" 1
1315 1 99 ILE HB 1 103 ILE MD . . 3.610 3.607 3.198 3.910 0.300 2 0 "[ .]" 1
1316 1 34 LEU QB 1 103 ILE MG . . 5.160 3.770 3.550 4.006 . 0 0 "[ .]" 1
1317 1 54 LEU HA 1 103 ILE MD . . 4.930 4.182 3.917 4.695 . 0 0 "[ .]" 1
1318 1 100 TYR QD 1 103 ILE MD . . 4.120 3.432 2.994 3.877 . 0 0 "[ .]" 1
1319 1 86 PHE QE 1 103 ILE MD . . 4.600 3.234 3.003 3.492 . 0 0 "[ .]" 1
1320 1 86 PHE QD 1 103 ILE MD . . 4.570 4.920 4.503 5.167 0.597 1 2 "[+- .]" 1
1321 1 103 ILE H 1 103 ILE MG . . 4.700 3.811 3.788 3.839 . 0 0 "[ .]" 1
1322 1 100 TYR QD 1 103 ILE MG . . 5.500 3.812 3.513 4.015 . 0 0 "[ .]" 1
1323 1 104 TYR HA 1 107 LEU QB . . 4.140 4.544 4.258 4.648 0.508 1 1 "[+ .]" 1
1324 1 104 TYR HA 1 107 LEU HG . . 4.140 3.481 3.090 3.893 . 0 0 "[ .]" 1
1325 1 105 ARG HA 1 105 ARG HG3 . . 3.820 3.654 3.249 3.775 . 0 0 "[ .]" 1
1326 1 105 ARG HA 1 105 ARG HG2 . . 3.820 2.651 2.403 2.784 . 0 0 "[ .]" 1
1327 1 104 TYR HB2 1 105 ARG HA . . 5.500 5.821 5.785 5.865 0.365 5 0 "[ .]" 1
1328 1 104 TYR HB3 1 105 ARG HA . . 5.500 4.600 4.501 4.696 . 0 0 "[ .]" 1
1329 1 34 LEU QB 1 107 LEU HA . . 4.990 3.529 3.130 3.759 . 0 0 "[ .]" 1
1330 1 27 LEU HA 1 28 VAL HA . . 4.420 4.466 4.454 4.482 0.062 4 0 "[ .]" 1
1331 1 16 THR HA 1 16 THR MG . . 3.280 2.448 2.267 3.083 . 0 0 "[ .]" 1
1332 1 109 VAL HA 1 109 VAL HB . . 2.890 2.540 2.513 2.570 . 0 0 "[ .]" 1
1333 1 28 VAL HA 1 109 VAL HA . . 4.140 3.166 2.591 3.724 . 0 0 "[ .]" 1
1334 1 26 THR MG 1 112 GLN HA . . 4.740 3.919 2.832 4.331 . 0 0 "[ .]" 1
1335 1 112 GLN HA 1 112 GLN HG3 . . 3.960 3.111 2.911 3.724 . 0 0 "[ .]" 1
1336 1 112 GLN HA 1 112 GLN HG2 . . 3.960 2.535 2.360 2.642 . 0 0 "[ .]" 1
1337 1 123 SER HA 1 123 SER QB . . 2.730 2.316 2.194 2.420 . 0 0 "[ .]" 1
1338 1 39 LYS HA 1 43 ALA MB . . 4.070 2.348 2.202 2.545 . 0 0 "[ .]" 1
1339 1 88 VAL QG 1 89 PRO HA . . 5.110 4.132 4.005 4.525 . 0 0 "[ .]" 1
1340 1 22 SER H 1 25 GLU QB . . 4.610 5.316 5.215 5.398 0.788 4 5 [-**+*] 1
1341 1 75 VAL H 1 76 TYR H . . 4.680 4.543 4.485 4.601 . 0 0 "[ .]" 1
1342 1 23 GLU H 1 23 GLU HG2 . . 3.890 2.788 2.742 2.824 . 0 0 "[ .]" 1
1343 1 41 VAL HB 1 43 ALA H . . 5.500 6.207 6.118 6.270 0.770 5 5 [***-+] 1
1344 1 54 LEU QD 1 57 LEU H . . 5.500 4.369 4.253 4.437 . 0 0 "[ .]" 1
1345 1 54 LEU H 1 54 LEU QD . . 2.410 3.111 2.531 3.798 1.388 3 3 "[- + *]" 1
1346 1 38 LEU QB 1 56 TYR H . . 4.940 4.484 4.394 4.611 . 0 0 "[ .]" 1
1347 1 55 PHE QD 1 58 GLY H . . 5.500 5.646 5.527 5.818 0.318 4 0 "[ .]" 1
1348 1 41 VAL HB 1 59 GLN H . . 5.500 6.533 6.208 6.846 1.346 2 5 [*+-**] 1
1349 1 59 GLN H 1 60 TYR QB . . 4.730 4.424 4.345 4.480 . 0 0 "[ .]" 1
1350 1 41 VAL HB 1 60 TYR H . . 4.850 5.157 4.700 5.691 0.841 2 2 "[ + -.]" 1
1351 1 61 ILE MG 1 76 TYR H . . 4.760 5.842 5.288 6.293 1.533 2 5 [*+*-*] 1
1352 1 79 ASN H 1 80 ASP HA . . 5.500 5.529 5.488 5.569 0.069 4 0 "[ .]" 1
1353 1 81 LEU H 1 81 LEU QD . . 2.300 1.825 1.767 1.999 . 0 0 "[ .]" 1
1354 1 81 LEU HA 1 83 GLY H . . 3.560 3.869 3.735 4.117 0.557 2 1 "[ + .]" 1
1355 1 82 LEU HG 1 83 GLY H . . 5.470 5.146 4.979 5.299 . 0 0 "[ .]" 1
1356 1 92 SER H 1 99 ILE MD . . 4.830 4.921 4.621 5.479 0.649 2 1 "[ + .]" 1
1357 1 93 VAL HB 1 94 LYS H . . 4.850 4.031 3.919 4.164 . 0 0 "[ .]" 1
1358 1 95 GLU H 1 99 ILE MD . . 4.050 4.397 3.706 5.318 1.268 2 2 "[ +- .]" 1
1359 1 94 LYS HG2 1 95 GLU H . . 2.680 2.443 2.277 2.828 0.148 1 0 "[ .]" 1
1360 1 95 GLU H 1 99 ILE MG . . 4.660 5.598 4.346 6.833 2.173 1 4 "[+* -*]" 1
1361 1 96 HIS H 1 99 ILE MD . . 4.560 4.821 4.160 5.424 0.864 2 2 "[ +- .]" 1
1362 1 96 HIS HD2 1 97 ARG H . . 5.500 5.484 5.105 5.886 0.386 4 0 "[ .]" 1
1363 1 97 ARG H 1 100 TYR QB . . 4.700 5.077 4.696 5.372 0.672 1 1 "[+ .]" 1
1364 1 98 LYS H 1 98 LYS QB . . 3.060 2.368 2.250 2.468 . 0 0 "[ .]" 1
1365 1 96 HIS HD2 1 99 ILE H . . 5.460 6.164 5.569 6.937 1.477 4 3 "[ *-+.]" 1
1366 1 97 ARG HA 1 101 THR H . . 4.150 4.696 4.449 5.157 1.007 3 2 "[ +-.]" 1
1367 1 59 GLN H 1 60 TYR HA . . 5.160 5.280 5.208 5.332 0.172 5 0 "[ .]" 1
1368 1 57 LEU HA 1 59 GLN H . . 4.930 4.264 4.189 4.397 . 0 0 "[ .]" 1
1369 1 101 THR HA 1 105 ARG H . . 4.760 5.123 4.563 5.321 0.561 1 2 "[+- .]" 1
1370 1 107 LEU H 1 109 VAL H . . 5.500 6.501 6.100 6.807 1.307 1 5 [+**-*] 1
1371 1 28 VAL HA 1 108 VAL H . . 5.500 4.925 4.598 5.210 . 0 0 "[ .]" 1
1372 1 107 LEU QB 1 109 VAL H . . 5.500 5.814 5.424 5.986 0.486 2 0 "[ .]" 1
1373 1 121 SER HA 1 122 VAL H . . 3.130 2.436 2.195 2.769 . 0 0 "[ .]" 1
1374 1 69 GLU H 1 71 GLN H . . 5.500 5.811 5.484 6.035 0.535 3 1 "[ + .]" 1
1375 1 81 LEU HA 1 85 LEU H . . 5.450 5.385 4.989 5.622 0.172 3 0 "[ .]" 1
1376 1 52 GLU H 1 53 VAL HA . . 5.320 5.137 5.051 5.194 . 0 0 "[ .]" 1
1377 1 81 LEU QD 1 82 LEU H . . 3.710 2.637 2.267 3.063 . 0 0 "[ .]" 1
1378 1 76 TYR HA 1 91 PHE H . . 3.910 4.478 4.218 4.783 0.873 4 3 "[- +*]" 1
1379 1 75 VAL QG 1 91 PHE H . . 3.880 2.665 2.302 2.911 . 0 0 "[ .]" 1
1380 1 91 PHE H 1 99 ILE MG . . 5.500 6.304 5.432 7.864 2.364 1 2 "[+ - .]" 1
1381 1 29 ARG H 1 110 VAL H . . 5.050 5.648 5.478 5.882 0.832 5 3 "[ -*+]" 1
1382 1 33 LEU HG 1 34 LEU H . . 5.130 5.351 5.215 5.477 0.347 4 0 "[ .]" 1
1383 1 13 ALA MB 1 14 VAL H . . 3.320 2.612 2.513 2.784 . 0 0 "[ .]" 1
1384 1 14 VAL HA 1 15 THR H . . 2.870 2.191 2.167 2.229 . 0 0 "[ .]" 1
1385 1 15 THR H 1 15 THR HB . . 3.280 3.449 3.315 3.581 0.301 5 0 "[ .]" 1
1386 1 37 LEU H 1 39 LYS H . . 4.250 3.936 3.851 4.058 . 0 0 "[ .]" 1
1387 1 82 LEU H 1 83 GLY H . . 4.300 2.741 2.544 2.923 . 0 0 "[ .]" 1
1388 1 27 LEU H 1 111 ASN H . . 5.020 3.849 3.516 4.035 . 0 0 "[ .]" 1
1389 1 118 SER H 1 119 GLY H . . 3.690 2.922 2.283 3.885 0.195 5 0 "[ .]" 1
1390 1 121 SER H 1 122 VAL H . . 4.900 3.926 3.109 4.674 . 0 0 "[ .]" 1
1391 1 122 VAL H 1 123 SER H . . 5.170 4.136 3.474 4.667 . 0 0 "[ .]" 1
1392 1 23 GLU H 1 23 GLU HG3 . . 3.890 3.789 3.738 3.819 . 0 0 "[ .]" 1
1393 1 26 THR H 1 109 VAL MG1 . . 5.500 5.181 4.769 5.660 0.160 4 0 "[ .]" 1
1394 1 26 THR H 1 26 THR MG . . 4.170 3.950 3.899 4.001 . 0 0 "[ .]" 1
1395 1 66 LEU HB2 1 67 TYR H . . 4.570 2.760 2.482 2.965 . 0 0 "[ .]" 1
1396 1 25 GLU QB 1 26 THR H . . 4.870 4.028 3.999 4.071 . 0 0 "[ .]" 1
1397 1 27 LEU H 1 49 THR MG . . 4.200 4.779 4.620 5.135 0.935 2 3 "[-+ *.]" 1
1398 1 27 LEU H 1 27 LEU HB2 . . 3.060 2.320 2.239 2.405 . 0 0 "[ .]" 1
1399 1 27 LEU H 1 27 LEU HB3 . . 3.060 3.232 2.728 3.577 0.517 4 2 "[ -+.]" 1
1400 1 26 THR HB 1 27 LEU H . . 4.430 3.796 3.608 3.902 . 0 0 "[ .]" 1
1401 1 28 VAL H 1 49 THR MG . . 4.650 4.299 4.227 4.444 . 0 0 "[ .]" 1
1402 1 28 VAL HB 1 29 ARG H . . 3.540 2.769 2.661 2.936 . 0 0 "[ .]" 1
1403 1 29 ARG H 1 108 VAL HA . . 5.500 5.709 5.512 5.920 0.420 3 0 "[ .]" 1
1404 1 33 LEU H 1 33 LEU HB3 . . 3.060 2.787 2.686 2.929 . 0 0 "[ .]" 1
1405 1 33 LEU H 1 34 LEU QB . . 4.220 4.294 4.155 4.395 0.175 4 0 "[ .]" 1
1406 1 34 LEU H 1 36 LYS QB . . 4.440 4.692 4.483 4.874 0.434 4 0 "[ .]" 1
1407 1 34 LEU H 1 35 LEU HA . . 5.500 5.538 5.438 5.641 0.141 5 0 "[ .]" 1
1408 1 35 LEU H 1 38 LEU H . . 5.500 5.888 5.746 6.030 0.530 2 1 "[ + .]" 1
1409 1 35 LEU QD 1 37 LEU H . . 3.910 4.555 4.323 4.956 1.046 4 3 "[ *-+.]" 1
1410 1 37 LEU H 1 37 LEU HG . . 4.680 4.508 4.471 4.615 . 0 0 "[ .]" 1
1411 1 38 LEU H 1 38 LEU QD . . 2.260 2.132 2.060 2.204 . 0 0 "[ .]" 1
1412 1 38 LEU H 1 38 LEU QB . . 3.800 2.809 2.718 2.883 . 0 0 "[ .]" 1
1413 1 38 LEU H 1 41 VAL H . . 5.090 5.247 5.082 5.379 0.289 4 0 "[ .]" 1
1414 1 41 VAL H 1 60 TYR QB . . 5.350 5.546 5.395 5.659 0.309 2 0 "[ .]" 1
1415 1 38 LEU HG 1 41 VAL H . . 5.500 6.044 5.942 6.177 0.677 4 3 "[- +*]" 1
1416 1 42 GLY H 1 43 ALA HA . . 5.500 4.603 4.545 4.689 . 0 0 "[ .]" 1
1417 1 40 SER HA 1 42 GLY H . . 4.050 4.511 4.004 4.682 0.632 2 4 "[*+ -*]" 1
1418 1 42 GLY H 1 44 GLN H . . 5.500 6.012 5.699 6.263 0.763 3 3 "[ +*-]" 1
1419 1 43 ALA H 1 48 TYR QE . . 5.500 5.863 5.767 5.930 0.430 5 0 "[ .]" 1
1420 1 40 SER H 1 43 ALA H . . 4.800 5.163 4.945 5.276 0.476 5 0 "[ .]" 1
1421 1 47 THR H 1 48 TYR QD . . 5.500 4.948 4.889 5.057 . 0 0 "[ .]" 1
1422 1 57 LEU H 1 60 TYR QB . . 5.500 5.611 5.469 5.940 0.440 5 0 "[ .]" 1
1423 1 49 THR MG 1 50 MET H . . 4.040 3.625 3.538 3.721 . 0 0 "[ .]" 1
1424 1 51 LYS H 1 52 GLU QB . . 4.670 4.352 4.168 4.471 . 0 0 "[ .]" 1
1425 1 53 VAL H 1 53 VAL HB . . 3.730 2.417 2.387 2.456 . 0 0 "[ .]" 1
1426 1 52 GLU QB 1 53 VAL H . . 3.440 2.984 2.900 3.041 . 0 0 "[ .]" 1
1427 1 53 VAL HB 1 55 PHE H . . 4.990 5.762 5.288 5.958 0.968 5 4 "[ *-*+]" 1
1428 1 58 GLY H 1 61 ILE MD . . 4.940 4.926 4.336 6.310 1.370 2 1 "[ + .]" 1
1429 1 58 GLY H 1 60 TYR QB . . 5.500 5.321 5.245 5.522 0.022 5 0 "[ .]" 1
1430 1 55 PHE HA 1 58 GLY H . . 3.910 3.683 3.622 3.809 . 0 0 "[ .]" 1
1431 1 60 TYR H 1 63 THR MG . . 4.190 4.287 4.210 4.362 0.172 3 0 "[ .]" 1
1432 1 57 LEU QB 1 60 TYR H . . 5.340 5.242 5.114 5.393 0.053 5 0 "[ .]" 1
1433 1 60 TYR H 1 60 TYR HA . . 2.850 2.862 2.850 2.883 0.033 2 0 "[ .]" 1
1434 1 57 LEU HA 1 61 ILE H . . 5.230 5.117 4.899 5.340 0.110 4 0 "[ .]" 1
1435 1 59 GLN HA 1 61 ILE H . . 5.500 4.415 4.171 4.581 . 0 0 "[ .]" 1
1436 1 65 ARG HA 1 66 LEU H . . 3.000 2.343 2.267 2.430 . 0 0 "[ .]" 1
1437 1 66 LEU H 1 66 LEU HA . . 2.780 2.955 2.945 2.965 0.185 4 0 "[ .]" 1
1438 1 66 LEU H 1 66 LEU HB2 . . 3.400 2.462 2.279 2.641 . 0 0 "[ .]" 1
1439 1 75 VAL H 1 93 VAL H . . 3.640 4.355 4.218 4.463 0.823 4 5 [***+-] 1
1440 1 75 VAL H 1 92 SER HA . . 3.970 3.820 3.435 4.443 0.473 3 0 "[ .]" 1
1441 1 66 LEU HA 1 76 TYR H . . 5.120 4.697 4.076 5.402 0.282 2 0 "[ .]" 1
1442 1 66 LEU HA 1 78 SER H . . 5.500 6.161 5.390 7.453 1.953 3 3 "[- +*.]" 1
1443 1 39 LYS H 1 40 SER HA . . 5.500 5.240 5.203 5.260 . 0 0 "[ .]" 1
1444 1 79 ASN HB3 1 80 ASP H . . 4.680 4.401 4.329 4.453 . 0 0 "[ .]" 1
1445 1 79 ASN HB2 1 80 ASP H . . 4.680 4.476 4.407 4.542 . 0 0 "[ .]" 1
1446 1 81 LEU H 1 83 GLY H . . 5.360 4.982 4.924 5.022 . 0 0 "[ .]" 1
1447 1 83 GLY H 1 84 ASP HA . . 5.230 5.199 5.089 5.363 0.133 3 0 "[ .]" 1
1448 1 84 ASP H 1 85 LEU HG . . 3.600 3.841 3.385 4.163 0.563 2 1 "[ + .]" 1
1449 1 82 LEU H 1 85 LEU H . . 5.500 5.693 5.468 6.080 0.580 1 1 "[+ .]" 1
1450 1 86 PHE H 1 86 PHE QE . . 4.640 4.707 4.484 4.887 0.247 4 0 "[ .]" 1
1451 1 83 GLY H 1 86 PHE H . . 5.500 5.567 5.389 5.855 0.355 1 0 "[ .]" 1
1452 1 77 CYS H 1 90 SER H . . 5.500 5.938 5.679 6.283 0.783 2 2 "[ +- .]" 1
1453 1 92 SER H 1 93 VAL HA . . 5.310 5.340 5.120 5.552 0.242 2 0 "[ .]" 1
1454 1 74 ILE MG 1 92 SER H . . 5.500 6.828 6.445 7.591 2.091 3 5 [-*+**] 1
1455 1 92 SER H 1 99 ILE MG . . 5.260 4.354 3.254 6.313 1.053 1 1 "[+ .]" 1
1456 1 94 LYS H 1 94 LYS HG2 . . 3.430 2.240 2.070 2.462 . 0 0 "[ .]" 1
1457 1 94 LYS H 1 94 LYS HB2 . . 3.640 3.664 3.659 3.673 0.033 4 0 "[ .]" 1
1458 1 95 GLU H 1 96 HIS HD2 . . 4.510 4.912 4.149 5.747 1.237 4 2 "[ - +.]" 1
1459 1 92 SER QB 1 95 GLU H . . 3.650 2.585 2.493 2.754 . 0 0 "[ .]" 1
1460 1 94 LYS HA 1 95 GLU H . . 3.470 3.521 3.471 3.543 0.073 2 0 "[ .]" 1
1461 1 94 LYS HB2 1 95 GLU H . . 4.270 4.032 3.945 4.149 . 0 0 "[ .]" 1
1462 1 94 LYS HB2 1 96 HIS H . . 5.500 5.571 5.112 5.909 0.409 3 0 "[ .]" 1
1463 1 98 LYS H 1 100 TYR QB . . 4.860 4.793 4.453 4.962 0.102 2 0 "[ .]" 1
1464 1 97 ARG QB 1 99 ILE H . . 5.500 5.500 5.086 5.900 0.400 4 0 "[ .]" 1
1465 1 96 HIS HA 1 100 TYR H . . 5.500 4.252 3.991 4.539 . 0 0 "[ .]" 1
1466 1 100 TYR H 1 103 ILE MD . . 4.960 4.259 4.068 4.468 . 0 0 "[ .]" 1
1467 1 101 THR H 1 104 TYR QD . . 5.500 6.914 6.675 7.133 1.633 2 5 [*+-**] 1
1468 1 57 LEU QB 1 59 GLN H . . 5.500 4.753 4.655 4.879 . 0 0 "[ .]" 1
1469 1 101 THR HA 1 103 ILE H . . 5.500 4.402 4.297 4.593 . 0 0 "[ .]" 1
1470 1 100 TYR QB 1 103 ILE H . . 5.340 5.000 4.942 5.096 . 0 0 "[ .]" 1
1471 1 54 LEU QD 1 104 TYR H . . 5.500 6.155 5.984 6.472 0.972 1 4 [+**-.] 1
1472 1 104 TYR H 1 107 LEU HG . . 5.470 5.622 5.368 6.204 0.734 3 1 "[ + .]" 1
1473 1 100 TYR QB 1 104 TYR H . . 5.220 5.188 4.929 5.277 0.057 1 0 "[ .]" 1
1474 1 106 ASN HB2 1 107 LEU H . . 4.750 4.287 3.958 4.438 . 0 0 "[ .]" 1
1475 1 106 ASN HB3 1 107 LEU H . . 4.750 4.462 4.355 4.513 . 0 0 "[ .]" 1
1476 1 109 VAL H 1 110 VAL HA . . 5.500 5.158 5.030 5.425 . 0 0 "[ .]" 1
1477 1 109 VAL H 1 109 VAL MG1 . . 3.610 3.036 2.662 3.269 . 0 0 "[ .]" 1
1478 1 109 VAL H 1 109 VAL HB . . 3.640 3.763 3.695 3.808 0.168 2 0 "[ .]" 1
1479 1 28 VAL HA 1 111 ASN H . . 5.500 6.394 6.285 6.564 1.064 5 5 [***-+] 1
1480 1 112 GLN HA 1 113 GLN H . . 2.670 2.510 2.249 3.368 0.698 3 1 "[ + .]" 1
1481 1 112 GLN HG2 1 113 GLN H . . 4.690 4.352 3.920 5.302 0.612 3 1 "[ + .]" 1
1482 1 112 GLN HG3 1 113 GLN H . . 4.690 4.917 4.778 5.056 0.366 2 0 "[ .]" 1
1483 1 50 MET QB 1 52 GLU H . . 5.500 5.026 4.881 5.146 . 0 0 "[ .]" 1
1484 1 49 THR HB 1 52 GLU H . . 3.860 3.533 3.403 3.731 . 0 0 "[ .]" 1
1485 1 52 GLU H 1 55 PHE H . . 5.010 5.252 5.099 5.338 0.328 5 0 "[ .]" 1
1486 1 35 LEU QD 1 39 LYS H . . 5.500 5.343 5.053 5.467 . 0 0 "[ .]" 1
1487 1 39 LYS H 1 39 LYS HB2 . . 3.670 2.448 2.378 2.524 . 0 0 "[ .]" 1
1488 1 39 LYS H 1 39 LYS HB3 . . 3.670 2.675 2.623 2.725 . 0 0 "[ .]" 1
1489 1 44 GLN H 1 48 TYR QD . . 5.220 6.202 6.093 6.324 1.104 3 5 [**+*-] 1
1490 1 77 CYS H 1 90 SER HA . . 4.180 4.598 4.116 5.268 1.088 3 2 "[ -+ .]" 1
1491 1 76 TYR QB 1 77 CYS H . . 2.450 2.532 2.179 2.769 0.319 1 0 "[ .]" 1
1492 1 82 LEU H 1 82 LEU HG . . 5.500 4.554 4.499 4.599 . 0 0 "[ .]" 1
1493 1 91 PHE H 1 91 PHE HD1 . . 4.810 3.300 2.870 4.675 . 0 0 "[ .]" 1
1494 1 109 VAL HB 1 110 VAL H . . 3.510 2.652 2.392 2.860 . 0 0 "[ .]" 1
1495 1 45 LYS H 1 48 TYR QD . . 4.940 4.396 4.246 4.545 . 0 0 "[ .]" 1
1496 1 17 SER QB 1 19 ILE H . . 4.930 5.353 5.196 5.545 0.615 1 1 "[+ .]" 1
1497 1 19 ILE MG 1 96 HIS QB . . 5.340 5.302 5.073 5.582 0.242 3 0 "[ .]" 1
1498 1 19 ILE QG 1 97 ARG H . . 4.760 5.112 4.826 5.327 0.567 1 2 "[+ -]" 1
1499 1 19 ILE QG 1 97 ARG QB . . 3.580 3.694 3.205 4.097 0.517 5 1 "[ +]" 1
1500 1 19 ILE QG 1 101 THR H . . 5.340 6.413 6.171 6.598 1.258 2 5 [-+***] 1
1501 1 19 ILE QG 1 101 THR HA . . 5.340 6.862 6.494 7.182 1.842 3 5 [**+*-] 1
1502 1 19 ILE MD 1 96 HIS QB . . 4.680 3.813 3.458 4.190 . 0 0 "[ .]" 1
1503 1 21 ALA H 1 23 GLU QB . . 5.340 6.049 5.877 6.217 0.877 4 5 [*-*+*] 1
1504 1 21 ALA H 1 23 GLU QG . . 5.040 6.575 6.360 6.792 1.752 4 5 [*-*+*] 1
1505 1 21 ALA HA 1 24 GLN QB . . 4.550 3.004 2.849 3.195 . 0 0 "[ .]" 1
1506 1 22 SER QB 1 23 GLU H . . 3.790 2.623 2.511 2.715 . 0 0 "[ .]" 1
1507 1 22 SER QB 1 23 GLU QG . . 3.770 3.136 3.093 3.207 . 0 0 "[ .]" 1
1508 1 22 SER QB 1 25 GLU QB . . 5.340 5.580 5.322 5.828 0.488 3 0 "[ .]" 1
1509 1 23 GLU QB 1 24 GLN HA . . 4.680 4.048 4.038 4.055 . 0 0 "[ .]" 1
1510 1 24 GLN H 1 24 GLN QB . . 3.180 2.414 2.250 2.486 . 0 0 "[ .]" 1
1511 1 24 GLN H 1 24 GLN QG . . 3.140 2.842 2.575 3.715 0.575 4 1 "[ +.]" 1
1512 1 24 GLN QB 1 25 GLU H . . 3.160 3.882 3.813 3.929 0.769 4 5 [**-+*] 1
1513 1 24 GLN QB 1 25 GLU QB . . 5.170 4.867 4.829 4.981 . 0 0 "[ .]" 1
1514 1 27 LEU H 1 27 LEU QB . . 2.540 2.249 2.215 2.277 . 0 0 "[ .]" 1
1515 1 27 LEU QB 1 28 VAL H . . 3.840 3.194 2.740 3.706 . 0 0 "[ .]" 1
1516 1 27 LEU QB 1 28 VAL HA . . 5.340 4.262 4.069 4.484 . 0 0 "[ .]" 1
1517 1 27 LEU QB 1 49 THR MG . . 4.090 4.152 3.749 4.343 0.253 2 0 "[ .]" 1
1518 1 27 LEU QD 1 28 VAL HA . . 4.080 4.645 3.516 5.110 1.030 3 4 "[* +*-]" 1
1519 1 27 LEU QD 1 28 VAL HB . . 5.320 5.726 4.705 6.181 0.861 3 3 "[- +*.]" 1
1520 1 27 LEU QD 1 28 VAL QG . . 4.130 3.692 3.193 3.954 . 0 0 "[ .]" 1
1521 1 27 LEU QD 1 29 ARG HA . . 4.050 5.167 3.796 5.782 1.732 3 4 "[* +*-]" 1
1522 1 27 LEU QD 1 29 ARG QG . . 4.330 4.303 2.851 5.064 0.734 4 3 "[- *+.]" 1
1523 1 27 LEU QD 1 47 THR MG . . 3.030 3.181 2.420 3.873 0.843 1 2 "[+ -.]" 1
1524 1 27 LEU QD 1 48 TYR HA . . 4.190 4.006 3.864 4.070 . 0 0 "[ .]" 1
1525 1 27 LEU QD 1 49 THR HA . . 3.080 2.882 2.672 3.110 0.030 3 0 "[ .]" 1
1526 1 27 LEU QD 1 110 VAL HB . . 4.960 4.071 3.685 4.236 . 0 0 "[ .]" 1
1527 1 28 VAL QG 1 47 THR MG . . 4.150 4.859 4.606 5.040 0.890 4 4 "[** +-]" 1
1528 1 28 VAL QG 1 48 TYR H . . 3.660 2.788 2.664 2.907 . 0 0 "[ .]" 1
1529 1 28 VAL QG 1 48 TYR QD . . 4.630 2.303 2.113 2.463 . 0 0 "[ .]" 1
1530 1 28 VAL QG 1 49 THR H . . 4.960 3.576 3.445 3.638 . 0 0 "[ .]" 1
1531 1 28 VAL QG 1 52 GLU QB . . 5.440 4.869 4.419 5.140 . 0 0 "[ .]" 1
1532 1 28 VAL QG 1 53 VAL H . . 5.410 4.429 4.284 4.552 . 0 0 "[ .]" 1
1533 1 28 VAL QG 1 53 VAL HA . . 5.360 4.763 4.574 4.885 . 0 0 "[ .]" 1
1534 1 28 VAL QG 1 53 VAL HB . . 4.600 3.260 2.914 4.034 . 0 0 "[ .]" 1
1535 1 28 VAL QG 1 110 VAL H . . 5.370 4.367 4.162 4.464 . 0 0 "[ .]" 1
1536 1 29 ARG H 1 29 ARG QD . . 3.230 3.634 3.308 4.128 0.898 1 2 "[+ -.]" 1
1537 1 29 ARG H 1 108 VAL QG . . 3.110 2.268 2.146 2.424 . 0 0 "[ .]" 1
1538 1 29 ARG HA 1 29 ARG QG . . 3.680 2.567 2.417 3.024 . 0 0 "[ .]" 1
1539 1 29 ARG HA 1 29 ARG QD . . 4.090 3.744 2.249 4.200 0.110 1 0 "[ .]" 1
1540 1 29 ARG QB 1 108 VAL QG . . 3.130 2.353 2.248 2.441 . 0 0 "[ .]" 1
1541 1 29 ARG QG 1 47 THR MG . . 3.700 3.102 2.642 3.917 0.217 4 0 "[ .]" 1
1542 1 33 LEU HA 1 36 LYS QG . . 3.620 4.027 3.648 4.300 0.680 5 3 "[- * +]" 1
1543 1 33 LEU HB3 1 85 LEU QD . . 4.790 3.883 3.222 4.220 . 0 0 "[ .]" 1
1544 1 33 LEU QD 1 34 LEU HA . . 2.760 3.564 3.280 3.868 1.108 2 5 [*+**-] 1
1545 1 33 LEU QD 1 82 LEU QD . . 5.370 5.312 4.924 5.789 0.419 1 0 "[ .]" 1
1546 1 33 LEU QD 1 86 PHE H . . 5.440 5.278 4.862 5.780 0.340 3 0 "[ .]" 1
1547 1 34 LEU QB 1 53 VAL QG . . 4.570 4.072 3.774 4.165 . 0 0 "[ .]" 1
1548 1 34 LEU QD 1 38 LEU H . . 5.440 4.871 4.638 5.215 . 0 0 "[ .]" 1
1549 1 34 LEU QD 1 38 LEU HG . . 5.430 5.130 4.784 5.503 0.073 2 0 "[ .]" 1
1550 1 34 LEU QD 1 53 VAL HB . . 5.440 4.976 4.735 5.288 . 0 0 "[ .]" 1
1551 1 34 LEU QD 1 53 VAL QG . . 3.700 2.578 2.401 2.778 . 0 0 "[ .]" 1
1552 1 34 LEU QD 1 54 LEU H . . 5.440 5.997 5.526 6.220 0.780 1 4 "[+* -*]" 1
1553 1 34 LEU QD 1 103 ILE MG . . 3.040 2.097 1.818 2.426 . 0 0 "[ .]" 1
1554 1 34 LEU QD 1 104 TYR HA . . 5.260 5.484 4.966 5.757 0.497 1 0 "[ .]" 1
1555 1 34 LEU QD 1 106 ASN H . . 3.770 3.860 3.677 4.233 0.463 3 0 "[ .]" 1
1556 1 34 LEU QD 1 107 LEU H . . 5.210 5.128 4.714 5.313 0.103 4 0 "[ .]" 1
1557 1 34 LEU QD 1 107 LEU HA . . 5.440 4.903 4.572 5.150 . 0 0 "[ .]" 1
1558 1 34 LEU QD 1 107 LEU QB . . 4.880 3.545 3.012 3.792 . 0 0 "[ .]" 1
1559 1 34 LEU QD 1 107 LEU QD . . 5.440 4.203 3.709 4.455 . 0 0 "[ .]" 1
1560 1 35 LEU H 1 38 LEU QD . . 4.340 4.208 4.078 4.272 . 0 0 "[ .]" 1
1561 1 35 LEU HA 1 53 VAL QG . . 4.850 3.347 3.127 3.743 . 0 0 "[ .]" 1
1562 1 35 LEU QB 1 39 LYS QE . . 4.210 4.502 3.526 5.045 0.835 1 2 "[+- .]" 1
1563 1 35 LEU QB 1 53 VAL QG . . 4.390 3.140 2.351 4.786 0.396 4 0 "[ .]" 1
1564 1 35 LEU QD 1 36 LYS QG . . 3.900 4.154 3.756 5.233 1.333 4 1 "[ +.]" 1
1565 1 35 LEU QD 1 39 LYS QE . . 4.180 3.995 3.648 4.734 0.554 4 1 "[ +.]" 1
1566 1 36 LYS H 1 36 LYS QG . . 3.890 3.747 3.130 3.946 0.056 3 0 "[ .]" 1
1567 1 36 LYS H 1 38 LEU QD . . 4.640 4.314 4.161 4.399 . 0 0 "[ .]" 1
1568 1 36 LYS HA 1 36 LYS QE . . 4.840 4.527 4.286 4.682 . 0 0 "[ .]" 1
1569 1 36 LYS QB 1 81 LEU QD . . 4.500 4.646 3.545 5.227 0.727 1 2 "[+ -]" 1
1570 1 37 LEU QB 1 38 LEU QD . . 2.860 2.964 2.745 3.081 0.221 2 0 "[ .]" 1
1571 1 37 LEU QD 1 38 LEU QD . . 3.000 3.325 3.009 3.479 0.479 4 0 "[ .]" 1
1572 1 37 LEU QD 1 40 SER QB . . 4.000 4.405 3.494 4.809 0.809 5 4 "[*- *+]" 1
1573 1 37 LEU QD 1 54 LEU HA . . 5.300 6.358 6.111 6.692 1.392 1 5 [+**-*] 1
1574 1 37 LEU QD 1 54 LEU QD . . 5.440 5.627 5.456 5.854 0.414 1 0 "[ .]" 1
1575 1 37 LEU QD 1 57 LEU QD . . 2.980 2.269 1.997 2.548 . 0 0 "[ .]" 1
1576 1 37 LEU QD 1 58 GLY H . . 5.440 5.304 4.993 5.757 0.317 1 0 "[ .]" 1
1577 1 37 LEU QD 1 61 ILE QG . . 4.760 4.579 3.965 5.271 0.511 3 1 "[ + .]" 1
1578 1 37 LEU QD 1 82 LEU H . . 5.130 3.906 3.560 4.173 . 0 0 "[ .]" 1
1579 1 37 LEU QD 1 103 ILE MD . . 5.440 6.090 5.697 6.889 1.449 3 2 "[ -+ .]" 1
1580 1 38 LEU QD 1 41 VAL H . . 5.440 5.427 5.325 5.593 0.153 4 0 "[ .]" 1
1581 1 38 LEU QD 1 56 TYR QE . . 3.630 3.776 3.702 3.949 0.319 4 0 "[ .]" 1
1582 1 38 LEU QD 1 85 LEU QD . . 4.290 4.363 3.921 4.606 0.316 5 0 "[ .]" 1
1583 1 38 LEU QD 1 103 ILE MG . . 4.580 4.922 4.604 5.202 0.622 2 2 "[ +- .]" 1
1584 1 38 LEU QD 1 103 ILE MD . . 5.440 5.676 5.029 6.217 0.777 3 1 "[ + .]" 1
1585 1 39 LYS HA 1 39 LYS QG . . 3.560 2.374 2.326 2.529 . 0 0 "[ .]" 1
1586 1 39 LYS HA 1 39 LYS QE . . 4.560 4.015 3.632 4.658 0.098 1 0 "[ .]" 1
1587 1 39 LYS QB 1 42 GLY H . . 5.340 5.768 5.744 5.792 0.452 1 0 "[ .]" 1
1588 1 39 LYS QB 1 43 ALA MB . . 4.390 4.034 3.929 4.256 . 0 0 "[ .]" 1
1589 1 40 SER H 1 81 LEU QD . . 5.310 5.423 5.334 5.641 0.331 5 0 "[ .]" 1
1590 1 48 TYR H 1 53 VAL QG . . 5.120 5.674 5.176 6.165 1.045 2 3 "[ + *-]" 1
1591 1 48 TYR HA 1 53 VAL QG . . 5.440 5.667 5.229 6.049 0.609 2 2 "[ + -.]" 1
1592 1 48 TYR QB 1 53 VAL QG . . 4.430 3.372 2.887 3.769 . 0 0 "[ .]" 1
1593 1 48 TYR QD 1 53 VAL QG . . 5.170 3.820 3.427 4.268 . 0 0 "[ .]" 1
1594 1 49 THR H 1 53 VAL QG . . 5.270 4.528 3.987 4.876 . 0 0 "[ .]" 1
1595 1 50 MET QG 1 51 LYS H . . 4.470 4.356 4.220 4.428 . 0 0 "[ .]" 1
1596 1 50 MET QG 1 51 LYS HA . . 5.230 4.432 4.328 4.515 . 0 0 "[ .]" 1
1597 1 50 MET QG 1 54 LEU QD . . 5.310 4.283 3.916 5.066 . 0 0 "[ .]" 1
1598 1 51 LYS HA 1 54 LEU QB . . 4.220 3.781 3.393 4.130 . 0 0 "[ .]" 1
1599 1 52 GLU H 1 53 VAL QG . . 4.280 4.018 3.922 4.095 . 0 0 "[ .]" 1
1600 1 53 VAL HA 1 56 TYR QB . . 5.180 3.402 3.247 3.643 . 0 0 "[ .]" 1
1601 1 53 VAL QG 1 56 TYR QD . . 5.440 3.861 3.708 4.050 . 0 0 "[ .]" 1
1602 1 53 VAL QG 1 107 LEU QB . . 5.440 4.185 4.051 4.345 . 0 0 "[ .]" 1
1603 1 54 LEU QB 1 55 PHE HA . . 5.340 3.999 3.920 4.218 . 0 0 "[ .]" 1
1604 1 56 TYR QB 1 59 GLN H . . 5.340 4.950 4.867 5.077 . 0 0 "[ .]" 1
1605 1 57 LEU QB 1 85 LEU QD . . 5.440 4.768 4.509 4.961 . 0 0 "[ .]" 1
1606 1 57 LEU QD 1 60 TYR H . . 3.660 4.477 4.376 4.587 0.927 5 5 [*-**+] 1
1607 1 57 LEU QD 1 61 ILE H . . 3.180 4.323 4.107 4.518 1.338 4 5 [**-+*] 1
1608 1 57 LEU QD 1 61 ILE MD . . 3.030 3.314 2.314 5.239 2.209 2 2 "[ +- .]" 1
1609 1 60 TYR H 1 82 LEU QD . . 5.440 5.557 5.444 5.712 0.272 2 0 "[ .]" 1
1610 1 61 ILE QG 1 82 LEU QD . . 3.770 3.428 2.579 4.529 0.759 3 2 "[ -+ .]" 1
1611 1 61 ILE MD 1 75 VAL QG . . 3.210 3.325 2.524 3.987 0.777 1 2 "[+ -.]" 1
1612 1 62 MET QB 1 65 ARG H . . 5.340 5.141 4.913 5.249 . 0 0 "[ .]" 1
1613 1 64 LYS H 1 64 LYS QB . . 3.370 2.361 2.173 2.442 . 0 0 "[ .]" 1
1614 1 64 LYS H 1 64 LYS QD . . 4.650 3.862 3.289 4.144 . 0 0 "[ .]" 1
1615 1 64 LYS HA 1 64 LYS QE . . 4.300 3.375 2.208 3.854 . 0 0 "[ .]" 1
1616 1 64 LYS HA 1 65 ARG QB . . 4.720 4.274 4.261 4.302 . 0 0 "[ .]" 1
1617 1 64 LYS QB 1 66 LEU H . . 3.190 4.454 4.170 4.832 1.642 4 5 [*-*+*] 1
1618 1 64 LYS QB 1 66 LEU HB2 . . 4.080 4.623 4.435 4.880 0.800 3 2 "[ -+ .]" 1
1619 1 64 LYS QB 1 66 LEU QD . . 3.220 2.241 1.993 2.613 . 0 0 "[ .]" 1
1620 1 64 LYS QD 1 65 ARG H . . 5.330 5.246 5.163 5.307 . 0 0 "[ .]" 1
1621 1 64 LYS QD 1 66 LEU QD . . 4.770 4.443 4.242 4.769 . 0 0 "[ .]" 1
1622 1 65 ARG H 1 65 ARG QB . . 3.390 3.375 3.364 3.391 0.001 1 0 "[ .]" 1
1623 1 66 LEU HA 1 66 LEU QD . . 3.370 2.182 2.013 2.549 . 0 0 "[ .]" 1
1624 1 66 LEU HA 1 75 VAL QG . . 5.440 4.832 3.965 5.108 . 0 0 "[ .]" 1
1625 1 66 LEU HA 1 78 SER QB . . 5.340 5.686 4.790 6.367 1.027 5 2 "[ -+]" 1
1626 1 66 LEU HB2 1 75 VAL QG . . 4.170 3.873 3.215 4.488 0.318 1 0 "[ .]" 1
1627 1 66 LEU QD 1 78 SER H . . 5.440 3.052 2.495 3.535 . 0 0 "[ .]" 1
1628 1 66 LEU QD 1 78 SER QB . . 3.750 3.288 2.069 4.594 0.844 4 1 "[ +.]" 1
1629 1 66 LEU QD 1 79 ASN H . . 5.440 5.490 4.905 6.351 0.911 4 1 "[ +.]" 1
1630 1 66 LEU QD 1 80 ASP H . . 5.120 5.536 5.022 5.949 0.829 4 2 "[ -+.]" 1
1631 1 66 LEU QD 1 80 ASP QB . . 4.430 4.026 3.206 5.282 0.852 3 1 "[ + .]" 1
1632 1 67 TYR H 1 75 VAL QG . . 4.210 3.722 3.165 4.150 . 0 0 "[ .]" 1
1633 1 67 TYR QD 1 75 VAL QG . . 4.010 3.665 3.552 3.746 . 0 0 "[ .]" 1
1634 1 74 ILE HB 1 94 LYS QD . . 5.100 6.250 5.161 7.564 2.464 1 4 "[+* *-]" 1
1635 1 74 ILE QG 1 93 VAL H . . 4.020 4.774 4.523 5.068 1.048 4 5 [***+-] 1
1636 1 74 ILE MD 1 94 LYS QD . . 4.720 6.809 5.622 7.954 3.234 1 5 [+*-**] 1
1637 1 75 VAL H 1 90 SER QB . . 4.700 4.459 3.996 4.872 0.172 3 0 "[ .]" 1
1638 1 75 VAL HB 1 93 VAL QG . . 3.750 4.166 3.118 5.085 1.335 4 3 "[* -+.]" 1
1639 1 75 VAL QG 1 76 TYR H . . 3.370 2.806 2.289 3.230 . 0 0 "[ .]" 1
1640 1 75 VAL QG 1 82 LEU QD . . 4.730 4.045 3.698 4.626 . 0 0 "[ .]" 1
1641 1 75 VAL QG 1 91 PHE QB . . 4.670 3.581 2.179 4.061 . 0 0 "[ .]" 1
1642 1 76 TYR QB 1 77 CYS QB . . 5.090 4.698 4.531 4.884 . 0 0 "[ .]" 1
1643 1 77 CYS H 1 77 CYS QB . . 2.880 2.733 2.546 3.064 0.184 2 0 "[ .]" 1
1644 1 77 CYS H 1 89 PRO QB . . 4.890 4.276 3.986 4.773 . 0 0 "[ .]" 1
1645 1 77 CYS H 1 90 SER QB . . 4.680 4.961 4.325 6.309 1.629 3 1 "[ + .]" 1
1646 1 79 ASN QB 1 80 ASP H . . 4.060 3.951 3.944 3.958 . 0 0 "[ .]" 1
1647 1 79 ASN QB 1 80 ASP HA . . 4.470 4.455 4.405 4.499 0.029 4 0 "[ .]" 1
1648 1 80 ASP H 1 80 ASP QB . . 3.310 2.792 2.462 3.375 0.065 4 0 "[ .]" 1
1649 1 80 ASP H 1 82 LEU QB . . 5.340 4.633 3.937 5.620 0.280 4 0 "[ .]" 1
1650 1 80 ASP QB 1 81 LEU QD . . 3.580 2.612 2.284 2.963 . 0 0 "[ .]" 1
1651 1 81 LEU QD 1 82 LEU QD . . 3.940 3.241 2.938 3.465 . 0 0 "[ .]" 1
1652 1 81 LEU QD 1 84 ASP QB . . 3.930 4.138 3.384 4.412 0.482 2 0 "[ .]" 1
1653 1 82 LEU QD 1 83 GLY QA . . 5.280 3.464 3.346 3.777 . 0 0 "[ .]" 1
1654 1 82 LEU QD 1 85 LEU HA . . 5.440 6.010 5.159 6.667 1.227 1 4 "[+- **]" 1
1655 1 82 LEU QD 1 86 PHE HB2 . . 5.440 3.746 2.591 4.470 . 0 0 "[ .]" 1
1656 1 82 LEU QD 1 103 ILE MD . . 5.440 5.605 5.256 5.932 0.492 1 0 "[ .]" 1
1657 1 83 GLY QA 1 84 ASP H . . 3.060 2.931 2.854 2.993 . 0 0 "[ .]" 1
1658 1 85 LEU QD 1 86 PHE HB2 . . 5.440 4.688 4.100 5.573 0.133 3 0 "[ .]" 1
1659 1 85 LEU QD 1 86 PHE HB3 . . 5.440 5.384 4.910 6.219 0.779 3 1 "[ + .]" 1
1660 1 85 LEU QD 1 103 ILE HA . . 5.410 4.960 4.520 5.331 . 0 0 "[ .]" 1
1661 1 85 LEU QD 1 103 ILE MG . . 5.020 4.737 4.456 5.084 0.064 2 0 "[ .]" 1
1662 1 85 LEU QD 1 103 ILE MD . . 5.440 4.757 4.388 5.325 . 0 0 "[ .]" 1
1663 1 87 GLY QA 1 88 VAL HA . . 4.380 4.046 4.025 4.090 . 0 0 "[ .]" 1
1664 1 88 VAL QG 1 89 PRO QB . . 4.970 4.316 4.068 4.895 . 0 0 "[ .]" 1
1665 1 89 PRO QB 1 90 SER H . . 3.390 3.098 2.982 3.183 . 0 0 "[ .]" 1
1666 1 90 SER HA 1 91 PHE QB . . 5.230 4.371 4.060 4.553 . 0 0 "[ .]" 1
1667 1 91 PHE QB 1 93 VAL QG . . 4.610 5.725 4.908 5.984 1.374 2 4 "[*+ -*]" 1
1668 1 92 SER H 1 93 VAL QG . . 5.440 5.670 5.466 5.773 0.333 2 0 "[ .]" 1
1669 1 92 SER HA 1 93 VAL QG . . 5.250 3.937 3.860 3.988 . 0 0 "[ .]" 1
1670 1 92 SER HA 1 95 GLU QB . . 5.200 4.816 4.720 4.940 . 0 0 "[ .]" 1
1671 1 93 VAL H 1 94 LYS QD . . 5.070 4.352 3.769 5.217 0.147 1 0 "[ .]" 1
1672 1 93 VAL QG 1 99 ILE MD . . 3.730 3.722 3.407 4.097 0.367 2 0 "[ .]" 1
1673 1 93 VAL QG 1 94 LYS QD . . 4.100 3.497 3.040 3.969 . 0 0 "[ .]" 1
1674 1 94 LYS H 1 94 LYS QD . . 4.880 3.125 2.591 3.770 . 0 0 "[ .]" 1
1675 1 94 LYS HB2 1 94 LYS QE . . 4.790 3.133 2.650 3.640 . 0 0 "[ .]" 1
1676 1 94 LYS HB3 1 94 LYS QE . . 4.560 2.299 2.198 2.501 . 0 0 "[ .]" 1
1677 1 95 GLU QB 1 96 HIS H . . 3.980 3.661 3.517 3.811 . 0 0 "[ .]" 1
1678 1 96 HIS QB 1 99 ILE H . . 5.340 5.263 5.016 5.686 0.346 4 0 "[ .]" 1
1679 1 100 TYR HA 1 103 ILE QG . . 5.100 3.445 3.234 3.692 . 0 0 "[ .]" 1
1680 1 101 THR HA 1 104 TYR QB . . 4.090 2.896 2.615 3.161 . 0 0 "[ .]" 1
1681 1 102 MET H 1 105 ARG QB . . 4.830 5.572 5.328 5.872 1.042 1 4 "[+* *-]" 1
1682 1 104 TYR H 1 104 TYR QB . . 3.130 2.262 2.247 2.282 . 0 0 "[ .]" 1
1683 1 104 TYR QB 1 105 ARG H . . 3.390 3.251 3.061 3.403 0.013 5 0 "[ .]" 1
1684 1 104 TYR QB 1 105 ARG HA . . 4.730 4.436 4.353 4.516 . 0 0 "[ .]" 1
1685 1 105 ARG H 1 105 ARG QG . . 3.110 2.842 2.746 2.917 . 0 0 "[ .]" 1
1686 1 105 ARG HA 1 105 ARG QD . . 4.520 3.127 2.289 3.823 . 0 0 "[ .]" 1
1687 1 107 LEU H 1 108 VAL QG . . 5.440 5.069 4.448 5.501 0.061 3 0 "[ .]" 1
1688 1 107 LEU HA 1 108 VAL QG . . 3.970 3.650 3.267 3.947 . 0 0 "[ .]" 1
1689 1 107 LEU QB 1 108 VAL QG . . 3.950 3.860 3.680 3.999 0.049 2 0 "[ .]" 1
1690 1 108 VAL H 1 108 VAL QG . . 3.670 2.109 1.967 2.182 . 0 0 "[ .]" 1
1691 1 108 VAL HA 1 108 VAL QG . . 3.100 2.255 2.233 2.268 . 0 0 "[ .]" 1
1692 1 108 VAL QG 1 109 VAL HA . . 4.390 3.825 3.458 4.361 . 0 0 "[ .]" 1
1693 1 111 ASN HA 1 112 GLN QB . . 4.480 4.359 4.327 4.379 . 0 0 "[ .]" 1
1694 1 111 ASN HA 1 112 GLN QG . . 4.670 4.138 3.954 4.307 . 0 0 "[ .]" 1
1695 1 111 ASN QB 1 112 GLN H . . 3.270 3.414 3.147 3.579 0.309 4 0 "[ .]" 1
1696 1 121 SER HA 1 122 VAL QG . . 4.030 3.486 3.195 4.070 0.040 3 0 "[ .]" 1
1697 1 122 VAL QG 1 123 SER H . . 5.440 2.712 2.206 3.310 . 0 0 "[ .]" 1
1698 1 13 ALA MB 1 15 THR HB . . 4.600 4.281 4.195 4.486 . 0 0 "[ .]" 1
1699 1 19 ILE MG 1 20 PRO QG . . 5.470 4.757 4.636 4.843 . 0 0 "[ .]" 1
1700 1 24 GLN HA 1 26 THR MG . . 5.500 5.884 5.819 5.993 0.493 3 0 "[ .]" 1
1701 1 26 THR MG 1 49 THR HB . . 4.870 6.596 6.402 6.879 2.009 2 5 [-+***] 1
1702 1 27 LEU HA 1 49 THR MG . . 3.150 3.066 2.947 3.236 0.086 2 0 "[ .]" 1
1703 1 26 THR MG 1 28 VAL HB . . 4.920 6.219 5.856 6.415 1.495 2 5 [*+-**] 1
1704 1 28 VAL QG 1 49 THR HB . . 5.010 4.650 4.509 4.852 . 0 0 "[ .]" 1
1705 1 33 LEU QD 1 85 LEU HG . . 4.100 3.835 2.919 4.138 0.038 1 0 "[ .]" 1
1706 1 36 LYS H 1 37 LEU HA . . 5.280 5.106 4.879 5.198 . 0 0 "[ .]" 1
1707 1 38 LEU HA 1 43 ALA MB . . 4.450 4.186 4.094 4.260 . 0 0 "[ .]" 1
1708 1 41 VAL QG 1 56 TYR QD . . 4.840 3.174 3.015 3.331 . 0 0 "[ .]" 1
1709 1 43 ALA MB 1 48 TYR QD . . 5.500 3.746 3.618 3.880 . 0 0 "[ .]" 1
1710 1 15 THR MG 1 16 THR HA . . 4.460 4.018 3.957 4.172 . 0 0 "[ .]" 1
1711 1 25 GLU QB 1 49 THR HB . . 5.030 5.646 5.073 6.189 1.159 5 2 "[- +]" 1
1712 1 26 THR MG 1 50 MET HA . . 4.530 6.336 6.040 6.656 2.126 2 5 [*+-**] 1
1713 1 34 LEU HA 1 53 VAL QG . . 4.710 5.419 5.226 5.591 0.881 5 5 [-***+] 1
1714 1 38 LEU HG 1 53 VAL QG . . 4.910 3.969 3.734 4.249 . 0 0 "[ .]" 1
1715 1 19 ILE HB 1 97 ARG HA . . 3.600 4.933 4.489 5.260 1.660 1 5 [+*-**] 1
1716 1 61 ILE HA 1 64 LYS HA . . 5.500 6.236 6.072 6.398 0.898 5 5 [*-**+] 1
1717 1 75 VAL HB 1 76 TYR HA . . 5.500 5.158 4.558 5.933 0.433 5 0 "[ .]" 1
1718 1 90 SER HA 1 91 PHE HD1 . . 5.500 4.026 3.358 5.889 0.389 3 0 "[ .]" 1
1719 1 76 TYR QD 1 90 SER HA . . 4.840 4.507 3.927 5.041 0.201 4 0 "[ .]" 1
1720 1 74 ILE MD 1 91 PHE HA . . 5.230 3.716 2.971 4.811 . 0 0 "[ .]" 1
1721 1 96 HIS HA 1 98 LYS QB . . 4.920 5.139 4.914 5.387 0.467 3 0 "[ .]" 1
1722 1 10 THR HA 1 10 THR MG . . 2.620 2.370 2.343 2.393 . 0 0 "[ .]" 1
1723 1 98 LYS QB 1 101 THR HB . . 5.150 5.722 5.501 6.483 1.333 2 1 "[ + .]" 1
1724 1 103 ILE MG 1 107 LEU HG . . 5.500 3.387 2.914 3.847 . 0 0 "[ .]" 1
1725 1 54 LEU QB 1 103 ILE MG . . 5.500 5.037 3.986 5.532 0.032 4 0 "[ .]" 1
1726 1 53 VAL HB 1 103 ILE MG . . 3.550 5.155 3.922 6.267 2.717 3 4 "[ *+-*]" 1
1727 1 51 LYS HA 1 103 ILE MG . . 5.500 6.950 6.737 7.354 1.854 3 5 [-*+**] 1
1728 1 106 ASN HA 1 107 LEU QB . . 4.630 4.817 4.740 4.974 0.344 3 0 "[ .]" 1
1729 1 107 LEU QD 1 109 VAL MG1 . . 3.430 1.947 1.913 1.973 . 0 0 "[ .]" 1
1730 1 15 THR MG 1 16 THR MG . . 4.650 5.403 5.301 5.590 0.940 2 5 [*+-**] 1
1731 1 109 VAL HA 1 109 VAL MG1 . . 3.380 2.264 2.244 2.283 . 0 0 "[ .]" 1
1732 1 33 LEU HA 1 85 LEU QD . . 5.500 4.753 4.302 5.118 . 0 0 "[ .]" 1
1733 1 33 LEU QD 1 38 LEU H . . 5.500 6.137 6.011 6.393 0.893 2 5 [*+*-*] 1
1734 1 41 VAL H 1 43 ALA H . . 3.360 4.505 4.294 4.720 1.360 4 5 [*-*+*] 1
1735 1 54 LEU HA 1 58 GLY H . . 3.730 4.222 3.851 4.458 0.728 5 3 "[- * +]" 1
1736 1 58 GLY H 1 60 TYR H . . 4.110 4.352 4.288 4.499 0.389 5 0 "[ .]" 1
1737 1 60 TYR H 1 62 MET H . . 4.070 4.038 3.881 4.161 0.091 4 0 "[ .]" 1
1738 1 63 THR HA 1 65 ARG H . . 3.930 3.980 3.886 4.068 0.138 1 0 "[ .]" 1
1739 1 98 LYS QB 1 101 THR H . . 5.150 5.395 5.166 5.721 0.571 2 1 "[ + .]" 1
1740 1 108 VAL H 1 108 VAL HB . . 3.750 3.300 2.892 3.775 0.025 4 0 "[ .]" 1
1741 1 74 ILE MD 1 91 PHE H . . 4.160 3.775 3.667 3.869 . 0 0 "[ .]" 1
1742 1 26 THR H 1 28 VAL QG . . 5.170 4.696 4.616 4.817 . 0 0 "[ .]" 1
1743 1 29 ARG H 1 47 THR HA . . 5.500 6.023 5.907 6.164 0.664 1 2 "[+- .]" 1
1744 1 34 LEU HA 1 38 LEU H . . 5.500 6.165 5.837 6.610 1.110 2 3 "[ +* -]" 1
1745 1 36 LYS HA 1 40 SER H . . 5.050 5.281 5.017 5.467 0.417 5 0 "[ .]" 1
1746 1 39 LYS HA 1 41 VAL H . . 5.500 4.493 4.325 4.689 . 0 0 "[ .]" 1
1747 1 41 VAL H 1 43 ALA MB . . 4.530 4.701 4.533 4.874 0.344 4 0 "[ .]" 1
1748 1 38 LEU H 1 39 LYS HA . . 5.310 5.226 5.170 5.273 . 0 0 "[ .]" 1
1749 1 77 CYS H 1 78 SER H . . 4.540 4.500 4.351 4.638 0.098 1 0 "[ .]" 1
1750 1 86 PHE H 1 88 VAL H . . 4.490 4.538 4.300 4.675 0.185 2 0 "[ .]" 1
1751 1 86 PHE H 1 88 VAL QG . . 5.310 4.842 4.441 5.097 . 0 0 "[ .]" 1
1752 1 83 GLY HA2 1 88 VAL H . . 3.920 3.191 2.742 3.892 . 0 0 "[ .]" 1
1753 1 96 HIS H 1 98 LYS QB . . 5.110 5.327 5.039 5.709 0.599 5 1 "[ +]" 1
1754 1 101 THR H 1 103 ILE MD . . 5.380 5.117 4.989 5.215 . 0 0 "[ .]" 1
1755 1 101 THR H 1 102 MET H . . 2.850 2.677 2.594 2.754 . 0 0 "[ .]" 1
1756 1 104 TYR H 1 104 TYR HB2 . . 3.910 2.567 2.499 2.619 . 0 0 "[ .]" 1
1757 1 104 TYR H 1 104 TYR HB3 . . 3.910 2.518 2.467 2.586 . 0 0 "[ .]" 1
1758 1 105 ARG H 1 105 ARG HB2 . . 4.150 2.421 2.400 2.450 . 0 0 "[ .]" 1
1759 1 105 ARG H 1 105 ARG HB3 . . 4.150 3.651 3.636 3.671 . 0 0 "[ .]" 1
1760 1 108 VAL H 1 109 VAL H . . 4.360 4.444 4.254 4.507 0.147 1 0 "[ .]" 1
1761 1 78 SER HA 1 79 ASN H . . 3.300 2.543 2.169 2.976 . 0 0 "[ .]" 1
1762 1 44 GLN H 1 56 TYR QE . . 5.500 5.631 5.295 6.048 0.548 3 1 "[ + .]" 1
1763 1 74 ILE HA 1 91 PHE H . . 5.500 4.898 4.857 4.953 . 0 0 "[ .]" 1
1764 1 45 LYS H 1 47 THR H . . 5.090 5.963 5.881 6.023 0.933 4 5 [-**+*] 1
1765 1 10 THR H 1 12 GLY H . . 3.120 3.347 3.009 3.911 0.791 4 1 "[ +.]" 1
1766 1 13 ALA H 1 13 ALA HA . . 2.460 2.956 2.950 2.963 0.503 2 1 "[ + .]" 1
1767 1 13 ALA H 1 14 VAL H . . 2.400 4.470 4.462 4.477 2.077 3 5 [**+-*] 1
1768 1 14 VAL H 1 15 THR H . . 3.220 4.466 4.377 4.601 1.381 2 5 [*+*-*] 1
1769 1 17 SER HA 1 19 ILE H . . 3.730 5.097 4.965 5.311 1.581 2 5 [*+*-*] 1
1770 1 20 PRO HA 1 23 GLU H . . 4.300 5.338 5.266 5.493 1.193 4 5 [**-+*] 1
1771 1 21 ALA H 1 22 SER H . . 2.400 2.717 2.670 2.758 0.358 3 0 "[ .]" 1
1772 1 21 ALA HA 1 24 GLN H . . 2.400 3.293 3.218 3.358 0.958 3 5 [**+-*] 1
1773 1 21 ALA MB 1 25 GLU H . . 4.110 5.714 5.516 5.908 1.798 2 5 [-+***] 1
1774 1 22 SER HA 1 23 GLU H . . 3.380 3.573 3.555 3.587 0.207 5 0 "[ .]" 1
1775 1 23 GLU HA 1 24 GLN H . . 2.400 3.579 3.563 3.592 1.192 3 5 [**+-*] 1
1776 1 24 GLN HA 1 25 GLU H . . 2.550 2.362 2.285 2.472 . 0 0 "[ .]" 1
1777 1 12 GLY H 1 13 ALA MB . . 4.590 4.869 4.752 5.104 0.514 4 1 "[ +.]" 1
1778 1 18 GLN H 1 19 ILE MG . . 5.110 6.370 6.261 6.420 1.310 5 5 [***-+] 1
1779 1 19 ILE MG 1 23 GLU H . . 4.730 4.559 4.384 4.727 . 0 0 "[ .]" 1
1780 1 19 ILE MG 1 25 GLU H . . 5.500 6.461 6.294 6.556 1.056 4 5 [**-+*] 1
1781 1 19 ILE H 1 20 PRO QB . . 2.750 4.988 4.830 5.293 2.543 2 5 [*+**-] 1
1782 1 19 ILE H 1 20 PRO QG . . 5.130 5.203 5.101 5.442 0.312 2 0 "[ .]" 1
1783 1 17 SER QB 1 18 GLN H . . 2.900 2.840 2.588 2.940 0.040 1 0 "[ .]" 1
1784 1 19 ILE H 1 20 PRO QD . . 4.930 3.396 3.327 3.587 . 0 0 "[ .]" 1
1785 1 19 ILE HA 1 20 PRO QD . . 3.420 2.149 2.117 2.174 . 0 0 "[ .]" 1
1786 1 21 ALA HA 1 24 GLN QG . . 4.730 4.649 4.470 4.818 0.088 4 0 "[ .]" 1
1787 1 23 GLU HA 1 23 GLU QG . . 3.530 2.730 2.718 2.754 . 0 0 "[ .]" 1
1788 1 26 THR MG 1 50 MET QB . . 4.160 4.336 4.136 4.531 0.371 2 0 "[ .]" 1
1789 1 26 THR MG 1 50 MET QG . . 4.690 5.280 5.108 5.459 0.769 5 3 "[-* +]" 1
1790 1 28 VAL HA 1 107 LEU QD . . 3.840 3.859 3.704 3.934 0.094 2 0 "[ .]" 1
1791 1 28 VAL QG 1 103 ILE MG . . 5.440 4.678 4.331 5.239 . 0 0 "[ .]" 1
1792 1 29 ARG QB 1 47 THR HA . . 4.410 5.419 5.162 5.660 1.250 3 5 [**+-*] 1
1793 1 29 ARG QG 1 47 THR HA . . 5.150 4.907 4.481 5.508 0.358 4 0 "[ .]" 1
1794 1 34 LEU HA 1 37 LEU QD . . 4.870 5.099 4.715 5.826 0.956 3 1 "[ + .]" 1
1795 1 34 LEU QD 1 103 ILE HA . . 2.890 2.282 2.205 2.383 . 0 0 "[ .]" 1
1796 1 34 LEU QD 1 104 TYR H . . 5.170 4.988 4.923 5.070 . 0 0 "[ .]" 1
1797 1 34 LEU QD 1 105 ARG H . . 4.960 4.920 4.711 5.191 0.231 3 0 "[ .]" 1
1798 1 37 LEU H 1 81 LEU QD . . 4.510 4.669 3.903 5.185 0.675 1 1 "[+ .]" 1
1799 1 37 LEU HG 1 38 LEU QD . . 4.710 5.267 4.946 5.463 0.753 2 3 "[ + *-]" 1
1800 1 38 LEU H 1 81 LEU QD . . 5.440 5.521 5.276 5.683 0.243 5 0 "[ .]" 1
1801 1 38 LEU QD 1 39 LYS HA . . 4.810 3.992 3.809 4.186 . 0 0 "[ .]" 1
1802 1 38 LEU QD 1 39 LYS QB . . 3.750 4.112 3.947 4.231 0.481 5 0 "[ .]" 1
1803 1 39 LYS QE 1 39 LYS QG . . 3.230 2.412 2.168 2.656 . 0 0 "[ .]" 1
1804 1 40 SER HA 1 81 LEU QD . . 5.440 6.453 6.108 6.806 1.366 5 5 [-***+] 1
1805 1 52 GLU HA 1 52 GLU QG . . 2.570 2.422 2.286 2.628 0.059 1 0 "[ .]" 1
1806 1 53 VAL QG 1 103 ILE QG . . 4.960 4.544 3.880 5.494 0.534 3 1 "[ + .]" 1
1807 1 55 PHE QB 1 57 LEU H . . 4.910 4.797 4.777 4.834 . 0 0 "[ .]" 1
1808 1 57 LEU QD 1 82 LEU QD . . 3.120 2.227 2.119 2.367 . 0 0 "[ .]" 1
1809 1 57 LEU QD 1 85 LEU QD . . 4.270 2.364 2.102 2.564 . 0 0 "[ .]" 1
1810 1 59 GLN H 1 62 MET QB . . 5.340 5.230 4.727 6.128 0.788 2 1 "[ + .]" 1
1811 1 59 GLN HA 1 62 MET QG . . 4.370 4.124 2.180 4.806 0.436 4 0 "[ .]" 1
1812 1 63 THR HB 1 64 LYS QD . . 5.340 5.805 5.217 6.168 0.828 5 3 "[-* +]" 1
1813 1 63 THR MG 1 64 LYS QE . . 4.500 4.227 2.290 4.759 0.259 3 0 "[ .]" 1
1814 1 64 LYS HA 1 65 ARG QD . . 5.340 4.525 3.127 5.219 . 0 0 "[ .]" 1
1815 1 65 ARG H 1 65 ARG QD . . 4.320 4.237 2.788 4.780 0.460 1 0 "[ .]" 1
1816 1 66 LEU QD 1 77 CYS HA . . 2.780 2.520 2.143 2.903 0.123 4 0 "[ .]" 1
1817 1 66 LEU QD 1 82 LEU H . . 4.910 5.377 4.945 6.281 1.371 3 1 "[ + .]" 1
1818 1 66 LEU QD 1 82 LEU HG . . 4.290 3.441 3.038 3.726 . 0 0 "[ .]" 1
1819 1 66 LEU QD 1 82 LEU QD . . 3.160 3.597 3.397 3.817 0.657 5 2 "[ - +]" 1
1820 1 76 TYR QB 1 78 SER H . . 5.340 5.406 5.012 5.717 0.377 3 0 "[ .]" 1
1821 1 77 CYS QB 1 83 GLY H . . 4.720 3.995 3.633 4.526 . 0 0 "[ .]" 1
1822 1 78 SER QB 1 79 ASN HA . . 5.200 5.249 4.781 5.389 0.189 4 0 "[ .]" 1
1823 1 85 LEU QD 1 106 ASN QB . . 5.000 4.455 4.055 4.615 . 0 0 "[ .]" 1
1824 1 86 PHE QB 1 88 VAL HB . . 5.060 4.498 4.244 4.820 . 0 0 "[ .]" 1
1825 1 100 TYR QB 1 102 MET H . . 5.050 4.903 4.860 4.984 . 0 0 "[ .]" 1
1826 1 106 ASN QB 1 107 LEU QD . . 4.560 4.319 4.044 4.479 . 0 0 "[ .]" 1
1827 1 111 ASN H 1 111 ASN QB . . 3.020 2.610 2.469 2.892 . 0 0 "[ .]" 1
1828 1 112 GLN HA 1 112 GLN QB . . 2.520 2.436 2.406 2.460 . 0 0 "[ .]" 1
1829 1 112 GLN QB 1 113 GLN H . . 2.390 2.872 2.453 3.419 1.029 3 1 "[ + .]" 1
1830 1 8 VAL QG 1 45 LYS QD . . 3.000 2.906 2.521 3.552 0.552 1 1 "[+ .]" 1
1831 1 8 VAL QG 1 45 LYS HG3 . . 4.000 3.655 3.019 4.744 0.744 1 1 "[+ .]" 1
1832 1 18 GLN QG 1 96 HIS HD1 . . 3.200 3.654 2.410 4.256 1.056 5 3 "[* - +]" 1
1833 1 18 GLN QB 1 96 HIS HD1 . . 2.500 3.128 2.740 3.464 0.964 3 3 "[ +*-]" 1
1834 1 18 GLN QB 1 96 HIS HB2 . . 3.000 2.527 2.228 2.723 . 0 0 "[ .]" 1
1835 1 18 GLN QB 1 96 HIS HB3 . . 3.500 3.483 3.287 3.797 0.297 5 0 "[ .]" 1
1836 1 19 ILE MG 1 100 TYR QD . . 5.370 3.395 3.188 3.593 . 0 0 "[ .]" 1
1837 1 26 THR HA 1 28 VAL QG . . 5.500 5.237 5.195 5.286 . 0 0 "[ .]" 1
1838 1 29 ARG HA 1 110 VAL MG2 . . 4.470 4.910 4.692 5.144 0.674 5 2 "[ - +]" 1
1839 1 14 VAL HA 1 15 THR MG . . 5.500 3.673 3.617 3.725 . 0 0 "[ .]" 1
1840 1 74 ILE HB 1 76 TYR QE . . 4.790 5.749 5.469 6.280 1.490 4 5 [***+-] 1
1841 1 74 ILE MD 1 76 TYR QD . . 5.500 5.191 4.712 5.593 0.093 4 0 "[ .]" 1
1842 1 74 ILE MD 1 90 SER H . . 5.500 4.911 4.559 5.265 . 0 0 "[ .]" 1
1843 1 13 ALA MB 1 52 GLU QB . . 5.500 5.636 5.000 6.186 0.686 1 1 "[+ .]" 1
1844 1 13 ALA MB 1 51 LYS QB . . 4.310 4.466 4.171 4.868 0.558 2 1 "[ + .]" 1
1845 1 96 HIS HA 1 99 ILE MG . . 5.260 4.816 4.270 5.147 . 0 0 "[ .]" 1
1846 1 38 LEU HA 1 41 VAL HB . . 4.840 4.638 4.363 4.882 0.042 4 0 "[ .]" 1
1847 1 10 THR MG 1 11 ASP HA . . 4.030 4.015 3.927 4.230 0.200 4 0 "[ .]" 1
1848 1 24 GLN QB 1 50 MET HA . . 4.430 4.691 4.575 4.873 0.443 1 0 "[ .]" 1
1849 1 54 LEU QD 1 55 PHE QB . . 5.500 5.023 4.823 5.212 . 0 0 "[ .]" 1
1850 1 65 ARG HA 1 65 ARG QD . . 4.530 3.952 3.374 4.168 . 0 0 "[ .]" 1
1851 1 69 GLU QB 1 74 ILE MG . . 5.500 5.162 4.174 5.948 0.448 1 0 "[ .]" 1
1852 1 60 TYR QB 1 61 ILE HB . . 4.900 5.139 4.729 5.540 0.640 3 2 "[ -+ .]" 1
1853 1 61 ILE MG 1 75 VAL HA . . 4.450 6.181 5.347 6.834 2.384 3 5 [**+*-] 1
1854 1 111 ASN HA 1 112 GLN HA . . 4.890 4.447 4.399 4.467 . 0 0 "[ .]" 1
1855 1 16 THR MG 1 100 TYR QD . . 5.500 5.791 3.309 6.807 1.307 1 3 "[+ * -]" 1
1856 1 16 THR MG 1 96 HIS HD2 . . 4.880 4.778 3.430 5.514 0.634 5 2 "[- +]" 1
1857 1 15 THR MG 1 21 ALA MB . . 4.940 4.277 3.723 5.356 0.416 2 0 "[ .]" 1
1858 1 16 THR MG 1 19 ILE MD . . 4.470 5.887 4.189 6.739 2.269 5 4 "[* *-+]" 1
1859 1 16 THR MG 1 19 ILE MG . . 4.180 6.078 4.043 6.915 2.735 5 4 "[* *-+]" 1
1860 1 20 PRO QB 1 21 ALA HA . . 3.850 4.434 4.416 4.447 0.597 3 5 [*-+**] 1
1861 1 16 THR HA 1 100 TYR QE . . 4.910 7.251 6.604 7.542 2.632 3 5 [*-+**] 1
1862 1 13 ALA H 1 55 PHE QE . . 3.390 4.085 3.508 4.427 1.037 2 4 "[-+* *]" 1
1863 1 43 ALA H 1 44 GLN H . . 4.580 3.899 3.546 4.178 . 0 0 "[ .]" 1
1864 1 26 THR H 1 49 THR HB . . 4.120 4.461 4.168 4.781 0.661 2 2 "[ + -.]" 1
1865 1 16 THR MG 1 18 GLN H . . 3.180 2.373 2.172 2.519 . 0 0 "[ .]" 1
1866 1 54 LEU H 1 55 PHE HA . . 5.500 5.171 5.106 5.208 . 0 0 "[ .]" 1
1867 1 38 LEU H 1 57 LEU HA . . 5.500 5.320 5.105 5.741 0.241 1 0 "[ .]" 1
1868 1 49 THR HB 1 51 LYS H . . 4.260 2.675 2.583 2.831 . 0 0 "[ .]" 1
1869 1 52 GLU QG 1 53 VAL H . . 5.500 4.460 4.332 4.652 . 0 0 "[ .]" 1
1870 1 53 VAL QG 1 56 TYR H . . 5.380 4.573 4.483 4.678 . 0 0 "[ .]" 1
1871 1 58 GLY H 1 59 GLN H . . 3.100 2.661 2.644 2.674 . 0 0 "[ .]" 1
1872 1 63 THR MG 1 64 LYS H . . 3.480 2.345 2.235 2.552 . 0 0 "[ .]" 1
1873 1 67 TYR HA 1 76 TYR H . . 3.300 3.852 3.083 4.465 1.165 3 3 "[- +*.]" 1
1874 1 80 ASP H 1 81 LEU H . . 4.730 4.414 4.383 4.434 . 0 0 "[ .]" 1
1875 1 81 LEU H 1 81 LEU HB3 . . 2.770 2.939 2.456 3.200 0.430 4 0 "[ .]" 1
1876 1 96 HIS H 1 97 ARG HA . . 5.500 5.177 5.081 5.343 . 0 0 "[ .]" 1
1877 1 96 HIS H 1 97 ARG QB . . 4.890 4.590 4.230 4.914 0.024 4 0 "[ .]" 1
1878 1 104 TYR H 1 105 ARG HA . . 5.500 5.230 5.177 5.281 . 0 0 "[ .]" 1
1879 1 108 VAL HB 1 109 VAL H . . 4.250 3.843 3.139 4.243 . 0 0 "[ .]" 1
1880 1 37 LEU QB 1 39 LYS H . . 5.140 4.525 4.475 4.590 . 0 0 "[ .]" 1
1881 1 37 LEU HA 1 39 LYS H . . 4.270 4.064 3.945 4.159 . 0 0 "[ .]" 1
1882 1 39 LYS H 1 39 LYS HA . . 2.800 2.864 2.858 2.872 0.072 3 0 "[ .]" 1
1883 1 14 VAL H 1 55 PHE QE . . 3.270 4.660 4.465 5.047 1.777 5 5 [**-*+] 1
1884 1 38 LEU HA 1 57 LEU H . . 5.220 5.729 5.522 5.972 0.752 5 2 "[- +]" 1
1885 1 19 ILE H 1 97 ARG H . . 4.920 6.290 5.453 6.863 1.943 1 5 [+-***] 1
1886 1 26 THR MG 1 109 VAL H . . 5.500 5.181 5.010 5.315 . 0 0 "[ .]" 1
1887 1 63 THR H 1 64 LYS H . . 2.700 2.681 2.622 2.720 0.020 4 0 "[ .]" 1
1888 1 50 MET HA 1 54 LEU H . . 5.500 5.119 4.784 5.374 . 0 0 "[ .]" 1
1889 1 74 ILE MD 1 92 SER H . . 4.640 4.760 4.353 5.561 0.921 3 1 "[ + .]" 1
1890 1 16 THR MG 1 19 ILE H . . 3.700 3.729 2.089 4.516 0.816 5 3 "[- * +]" 1
1891 1 16 THR H 1 16 THR HB . . 3.250 2.910 2.708 2.986 . 0 0 "[ .]" 1
1892 1 9 PRO HB2 1 11 ASP H . . 5.210 4.239 3.758 5.059 . 0 0 "[ .]" 1
1893 1 9 PRO HB3 1 11 ASP H . . 5.210 5.346 5.103 5.783 0.573 1 1 "[+ .]" 1
1894 1 13 ALA HA 1 14 VAL H . . 2.400 2.327 2.252 2.390 . 0 0 "[ .]" 1
1895 1 13 ALA H 1 55 PHE QD . . 5.040 4.631 4.385 4.983 . 0 0 "[ .]" 1
1896 1 15 THR MG 1 16 THR H . . 4.090 3.866 3.785 3.991 . 0 0 "[ .]" 1
1897 1 16 THR H 1 16 THR MG . . 3.760 3.871 3.246 4.038 0.278 1 0 "[ .]" 1
1898 1 9 PRO QB 1 11 ASP H . . 4.510 4.074 3.667 4.756 0.246 1 0 "[ .]" 1
1899 1 10 THR H 1 11 ASP QB . . 5.040 4.622 4.264 5.016 . 0 0 "[ .]" 1
1900 1 16 THR MG 1 96 HIS QB . . 3.300 3.412 2.378 4.151 0.851 1 2 "[+ -]" 1
1901 1 19 ILE MG 1 20 PRO QD . . 4.750 3.463 3.432 3.497 . 0 0 "[ .]" 1
1902 1 19 ILE MD 1 23 GLU QB . . 4.740 5.310 5.047 5.637 0.897 4 4 "[*- +*]" 1
1903 1 26 THR MG 1 109 VAL QG . . 3.660 2.386 2.088 2.638 . 0 0 "[ .]" 1
1904 1 27 LEU QD 1 50 MET H . . 4.770 4.603 4.058 4.890 0.120 3 0 "[ .]" 1
1905 1 28 VAL QG 1 29 ARG HA . . 3.570 4.043 3.960 4.117 0.547 4 2 "[ - +.]" 1
1906 1 35 LEU QD 1 48 TYR QD . . 4.920 3.614 2.081 4.284 . 0 0 "[ .]" 1
1907 1 36 LYS H 1 36 LYS QD . . 5.180 4.347 3.946 4.556 . 0 0 "[ .]" 1
1908 1 37 LEU QD 1 39 LYS H . . 5.230 4.583 4.301 4.693 . 0 0 "[ .]" 1
1909 1 37 LEU QD 1 81 LEU HA . . 5.240 5.172 4.637 5.524 0.284 3 0 "[ .]" 1
1910 1 39 LYS H 1 39 LYS QE . . 4.980 4.549 4.430 4.703 . 0 0 "[ .]" 1
1911 1 39 LYS QB 1 39 LYS QE . . 2.540 2.339 2.225 2.476 . 0 0 "[ .]" 1
1912 1 42 GLY QA 1 44 GLN H . . 5.160 4.669 4.416 4.976 . 0 0 "[ .]" 1
1913 1 46 ASP HA 1 46 ASP QB . . 2.420 2.442 2.418 2.463 0.043 3 0 "[ .]" 1
1914 1 57 LEU HA 1 82 LEU QD . . 4.300 4.692 4.500 4.830 0.530 5 2 "[ - +]" 1
1915 1 57 LEU QD 1 58 GLY QA . . 2.500 3.737 3.657 3.903 1.403 1 5 [+***-] 1
1916 1 62 MET HA 1 62 MET QG . . 2.790 2.716 2.413 3.385 0.595 2 1 "[ + .]" 1
1917 1 65 ARG HA 1 66 LEU QD . . 4.490 4.185 3.901 4.486 . 0 0 "[ .]" 1
1918 1 66 LEU H 1 66 LEU QD . . 2.490 3.054 2.735 3.362 0.872 3 3 "[ *+-.]" 1
1919 1 66 LEU HA 1 76 TYR QB . . 5.340 4.726 4.240 5.455 0.115 1 0 "[ .]" 1
1920 1 66 LEU QB 1 77 CYS HA . . 4.890 4.372 2.900 5.005 0.115 1 0 "[ .]" 1
1921 1 74 ILE MD 1 91 PHE QB . . 5.100 4.928 4.482 5.363 0.263 3 0 "[ .]" 1
1922 1 86 PHE QB 1 88 VAL QG . . 4.010 2.296 2.128 2.507 . 0 0 "[ .]" 1
1923 1 88 VAL HA 1 89 PRO QG . . 4.550 4.009 3.994 4.056 . 0 0 "[ .]" 1
1924 1 91 PHE QB 1 93 VAL H . . 4.570 5.658 4.969 5.952 1.382 2 4 "[*+ -*]" 1
1925 1 91 PHE QB 1 93 VAL HA . . 4.560 5.542 5.204 5.727 1.167 2 5 [*+-**] 1
1926 1 94 LYS HA 1 94 LYS QD . . 4.600 4.320 4.194 4.466 . 0 0 "[ .]" 1
1927 1 95 GLU HA 1 95 GLU QB . . 2.520 2.427 2.371 2.500 . 0 0 "[ .]" 1
1928 1 104 TYR H 1 105 ARG QG . . 5.340 4.299 4.177 4.407 . 0 0 "[ .]" 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 62
_Distance_constraint_stats_list.Viol_count 296
_Distance_constraint_stats_list.Viol_total 1303.143
_Distance_constraint_stats_list.Viol_max 2.413
_Distance_constraint_stats_list.Viol_rms 0.5484
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8407
_Distance_constraint_stats_list.Viol_average_violations_only 0.8805
_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 15 THR 5.979 1.290 2 5 [-+***]
1 16 THR 5.979 1.290 2 5 [-+***]
1 20 PRO 6.777 0.949 4 5 [***+-]
1 22 SER 8.520 1.903 4 5 [-**+*]
1 23 GLU 6.777 0.949 4 5 [***+-]
1 24 GLN 30.014 2.164 5 5 [-***+]
1 26 THR 14.864 1.928 3 5 [-*+**]
1 27 LEU 4.568 0.702 5 3 "[ -*+]"
1 28 VAL 5.613 0.736 1 4 "[+** *]"
1 29 ARG 10.724 1.302 5 5 [*-**+]
1 33 LEU 2.292 0.419 2 0 "[ .]"
1 34 LEU 8.691 1.382 4 5 [*-*+*]
1 36 LYS 2.292 0.419 2 0 "[ .]"
1 38 LEU 8.447 1.324 3 5 [**+*-]
1 43 ALA 23.590 2.389 2 5 [*+**-]
1 48 TYR 20.756 2.389 2 5 [-+***]
1 51 LYS 15.150 2.164 5 5 [-***+]
1 52 GLU 4.683 0.575 5 3 "[ **+]"
1 53 VAL 5.459 0.914 3 4 "[*-+ *]"
1 56 TYR 4.683 0.575 5 3 "[ **+]"
1 57 LEU 14.031 1.084 4 5 [*-*+*]
1 61 ILE 12.177 1.084 4 5 [**-+*]
1 66 LEU 14.974 1.604 2 5 [*+**-]
1 75 VAL 9.293 1.247 4 4 "[* -+*]"
1 76 TYR 11.369 1.604 2 5 [*+**-]
1 77 CYS 8.126 1.446 2 5 [-+***]
1 80 ASP 10.887 1.891 4 5 [**-+*]
1 81 LEU 3.391 0.645 5 2 "[ -+]"
1 82 LEU 9.038 1.539 1 4 "[+ *-*]"
1 83 GLY 24.128 1.891 4 5 [**-+*]
1 84 ASP 3.391 0.645 5 2 "[ -+]"
1 86 PHE 9.038 1.539 1 4 "[+ *-*]"
1 88 VAL 13.241 1.844 1 5 [+***-]
1 89 PRO 8.126 1.446 2 5 [-+***]
1 91 PHE 22.491 1.969 2 5 [*+-**]
1 92 SER 15.555 2.198 2 5 [*+*-*]
1 93 VAL 13.198 1.969 2 5 [*+**-]
1 94 LYS 4.336 1.021 3 3 "[-*+ .]"
1 95 GLU 25.697 2.198 2 5 [*+**-]
1 96 HIS 9.842 1.021 3 5 [**+*-]
1 98 LYS 10.143 1.708 3 4 "[**+ -]"
1 100 TYR 5.506 0.965 4 4 "[* *+-]"
1 106 ASN 8.691 1.382 4 5 [*-*+*]
1 107 LEU 17.460 2.413 1 5 [+*-**]
1 108 VAL 10.724 1.302 5 5 [*-**+]
1 109 VAL 17.460 2.413 1 5 [+*-**]
1 110 VAL 4.568 0.702 5 3 "[ -*+]"
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 15 THR O 1 16 THR HG1 . . 2.000 2.825 2.600 3.290 1.290 2 5 [-+***] 2
2 1 15 THR O 1 16 THR OG1 . . 3.000 3.371 3.193 3.804 0.804 2 1 "[ + .]" 2
3 1 22 SER HG 1 22 SER O . . 2.000 3.423 3.120 3.903 1.903 4 5 [-**+*] 2
4 1 22 SER O 1 22 SER OG . . 3.000 3.281 3.214 3.337 0.337 4 0 "[ .]" 2
5 1 20 PRO O 1 23 GLU H . . 2.000 2.772 2.643 2.949 0.949 4 5 [**-+*] 2
6 1 20 PRO O 1 23 GLU N . . 3.000 3.583 3.473 3.739 0.739 4 4 "[** +-]" 2
7 1 24 GLN O 1 26 THR H . . 2.000 3.679 3.355 3.928 1.928 3 5 [-*+**] 2
8 1 24 GLN O 1 26 THR N . . 3.000 4.293 4.026 4.487 1.487 3 5 [-*+**] 2
9 1 28 VAL H 1 48 TYR O . . 2.000 1.962 1.900 2.142 0.142 2 0 "[ .]" 2
10 1 28 VAL N 1 48 TYR O . . 3.000 2.933 2.874 3.114 0.114 2 0 "[ .]" 2
11 1 29 ARG H 1 108 VAL O . . 2.000 3.124 2.887 3.302 1.302 5 5 [*-**+] 2
12 1 29 ARG N 1 108 VAL O . . 3.000 4.021 3.795 4.188 1.188 3 5 [*-+**] 2
13 1 34 LEU H 1 106 ASN O . . 2.000 2.948 2.771 3.382 1.382 4 5 [*-*+*] 2
14 1 34 LEU N 1 106 ASN O . . 3.000 3.790 3.629 4.150 1.150 4 5 [*-*+*] 2
15 1 33 LEU O 1 36 LYS H . . 2.000 2.296 2.149 2.419 0.419 2 0 "[ .]" 2
16 1 33 LEU O 1 36 LYS N . . 3.000 3.161 2.995 3.328 0.328 2 0 "[ .]" 2
17 1 38 LEU O 1 43 ALA H . . 2.000 3.192 3.000 3.324 1.324 3 5 [-*+**] 2
18 1 38 LEU O 1 43 ALA N . . 3.000 3.497 3.347 3.673 0.673 3 3 "[ +*-]" 2
19 1 28 VAL O 1 48 TYR H . . 2.000 2.607 2.441 2.736 0.736 1 4 "[+** -]" 2
20 1 28 VAL O 1 48 TYR N . . 3.000 3.464 3.330 3.525 0.525 2 3 "[-+* .]" 2
21 1 43 ALA O 1 48 TYR HH . . 2.000 3.989 3.487 4.389 2.389 2 5 [-+***] 2
22 1 43 ALA O 1 48 TYR OH . . 3.000 4.040 3.823 4.268 1.268 3 5 [-*+**] 2
23 1 24 GLN O 1 51 LYS H . . 2.000 3.982 3.773 4.164 2.164 5 5 [-***+] 2
24 1 24 GLN O 1 51 LYS N . . 3.000 4.048 3.953 4.154 1.154 5 5 [-***+] 2
25 1 52 GLU O 1 56 TYR H . . 2.000 2.507 2.408 2.575 0.575 5 3 "[ *-+]" 2
26 1 52 GLU O 1 56 TYR N . . 3.000 3.429 3.359 3.515 0.515 5 1 "[ +]" 2
27 1 53 VAL O 1 57 LEU H . . 2.000 2.607 2.313 2.914 0.914 3 4 "[*-+ *]" 2
28 1 53 VAL O 1 57 LEU N . . 3.000 3.485 3.205 3.762 0.762 3 2 "[- + .]" 2
29 1 57 LEU O 1 61 ILE H . . 2.000 2.912 2.725 3.084 1.084 4 5 [**-+*] 2
30 1 57 LEU O 1 61 ILE N . . 3.000 3.803 3.659 3.910 0.910 4 5 [**-+*] 2
31 1 61 ILE O 1 66 LEU H . . 2.000 2.435 2.270 2.594 0.594 4 2 "[ -+.]" 2
32 1 61 ILE O 1 66 LEU N . . 3.000 3.286 3.169 3.356 0.356 3 0 "[ .]" 2
33 1 75 VAL H 1 91 PHE O . . 2.000 2.223 1.989 2.578 0.578 3 1 "[ + .]" 2
34 1 75 VAL N 1 91 PHE O . . 3.000 3.198 2.967 3.539 0.539 3 1 "[ + .]" 2
35 1 66 LEU O 1 76 TYR H . . 2.000 3.182 2.605 3.604 1.604 2 5 [*+**-] 2
36 1 66 LEU O 1 76 TYR N . . 3.000 4.092 3.502 4.452 1.452 2 5 [*+**-] 2
37 1 77 CYS H 1 89 PRO O . . 2.000 3.050 2.766 3.446 1.446 2 5 [*+**-] 2
38 1 77 CYS N 1 89 PRO O . . 3.000 3.575 3.174 3.863 0.863 3 3 "[-*+ .]" 2
39 1 80 ASP O 1 83 GLY H . . 2.000 3.132 2.676 3.891 1.891 4 5 [**-+*] 2
40 1 80 ASP O 1 83 GLY N . . 3.000 4.045 3.639 4.799 1.799 4 5 [**-+*] 2
41 1 81 LEU O 1 84 ASP H . . 2.000 2.396 2.182 2.645 0.645 5 2 "[ -+]" 2
42 1 81 LEU O 1 84 ASP N . . 3.000 3.282 3.007 3.581 0.581 5 2 "[ -+]" 2
43 1 82 LEU O 1 86 PHE H . . 2.000 2.927 2.414 3.539 1.539 1 4 "[+ *-*]" 2
44 1 82 LEU O 1 86 PHE N . . 3.000 3.881 3.314 4.515 1.515 1 4 "[+ *-*]" 2
45 1 83 GLY O 1 88 VAL H . . 2.000 3.533 3.401 3.844 1.844 1 5 [+***-] 2
46 1 83 GLY O 1 88 VAL N . . 3.000 4.115 4.025 4.392 1.392 1 5 [+***-] 2
47 1 75 VAL O 1 91 PHE H . . 2.000 2.778 2.421 3.247 1.247 4 4 "[* -+*]" 2
48 1 75 VAL O 1 91 PHE N . . 3.000 3.647 3.353 3.955 0.955 4 4 "[* -+*]" 2
49 1 91 PHE O 1 93 VAL H . . 2.000 3.778 3.430 3.969 1.969 2 5 [*+-**] 2
50 1 91 PHE O 1 93 VAL N . . 3.000 3.862 3.726 4.036 1.036 1 5 [+***-] 2
51 1 92 SER O 1 95 GLU H . . 2.000 3.702 3.327 4.198 2.198 2 5 [*+*-*] 2
52 1 92 SER O 1 95 GLU N . . 3.000 4.409 4.072 4.841 1.841 2 5 [*+*-*] 2
53 1 94 LYS O 1 96 HIS H . . 2.000 2.700 2.283 3.021 1.021 3 3 "[-*+ .]" 2
54 1 94 LYS O 1 96 HIS N . . 3.000 3.147 2.901 3.342 0.342 3 0 "[ .]" 2
55 1 95 GLU O 1 98 LYS H . . 2.000 3.074 2.490 3.708 1.708 3 4 "[**+ -]" 2
56 1 95 GLU O 1 98 LYS N . . 3.000 3.955 3.441 4.520 1.520 3 4 "[**+ -]" 2
57 1 96 HIS O 1 100 TYR H . . 2.000 2.607 2.085 2.965 0.965 4 4 "[* *+-]" 2
58 1 96 HIS O 1 100 TYR N . . 3.000 3.489 2.973 3.804 0.804 4 3 "[* -+.]" 2
59 1 107 LEU O 1 109 VAL H . . 2.000 4.120 3.842 4.413 2.413 1 5 [+**-*] 2
60 1 107 LEU O 1 109 VAL N . . 3.000 4.371 4.213 4.579 1.579 1 5 [+*-**] 2
61 1 27 LEU O 1 110 VAL H . . 2.000 2.539 2.361 2.702 0.702 5 3 "[ *-+]" 2
62 1 27 LEU O 1 110 VAL N . . 3.000 3.375 3.207 3.562 0.562 5 2 "[ - +]" 2
stop_
save_
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