NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611145 |
2nam   |
25942 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nam
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 683
_Distance_constraint_stats_list.Viol_count 986
_Distance_constraint_stats_list.Viol_total 2175.522
_Distance_constraint_stats_list.Viol_max 2.043
_Distance_constraint_stats_list.Viol_rms 0.2739
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1274
_Distance_constraint_stats_list.Viol_average_violations_only 0.4413
_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 9 ALA 0.600 0.202 1 0 "[ .]"
1 10 THR 5.715 1.184 3 3 "[- +*.]"
1 11 LYS 10.686 1.374 4 5 [***+-]
1 12 ALA 8.001 1.374 4 5 [**-+*]
1 13 VAL 4.262 0.869 5 4 "[* -*+]"
1 14 CYS 3.898 1.080 3 5 [**+*-]
1 15 VAL 6.951 0.696 2 3 "[*+* .]"
1 16 LEU 6.673 0.869 5 5 [**-*+]
1 17 LYS 4.691 0.706 1 3 "[+-* .]"
1 18 GLY 4.243 0.706 1 3 "[+*- .]"
1 19 ASP 2.762 0.689 2 2 "[ + -.]"
1 20 GLY 1.165 0.373 4 0 "[ .]"
1 22 VAL 9.718 1.029 1 5 [+****]
1 23 GLN 5.200 0.981 4 5 [-**+*]
1 24 GLY 4.889 1.029 1 5 [+*-**]
1 25 ILE 0.344 0.259 1 0 "[ .]"
1 26 ILE 0.132 0.130 2 0 "[ .]"
1 27 ASN 9.433 0.815 4 3 "[ *+-]"
1 28 PHE 9.052 1.090 3 5 [**+-*]
1 29 GLU 0.132 0.130 2 0 "[ .]"
1 30 GLN 12.026 1.090 3 5 [**+*-]
1 31 LYS 3.944 0.573 3 1 "[ + .]"
1 32 GLU 6.090 0.801 1 5 [+***-]
1 33 SER 5.838 0.801 1 5 [+***-]
1 34 ASN 0.000 0.000 . 0 "[ .]"
1 35 GLY 1.927 0.577 3 2 "[ + -]"
1 37 VAL 0.838 0.306 3 0 "[ .]"
1 38 LYS 1.286 0.338 2 0 "[ .]"
1 39 VAL 0.906 0.338 2 0 "[ .]"
1 40 TRP 0.956 0.203 4 0 "[ .]"
1 41 GLY 1.404 0.317 1 0 "[ .]"
1 42 SER 6.538 0.651 1 5 [+**-*]
1 43 ILE 8.431 0.797 5 5 [***-+]
1 44 LYS 1.675 0.756 2 1 "[ + .]"
1 45 GLY 4.337 0.756 2 1 "[ + .]"
1 46 LEU 14.036 1.572 2 4 "[ +-**]"
1 47 THR 17.486 1.572 2 5 [*+-**]
1 48 GLU 9.101 0.968 2 5 [*+***]
1 49 GLY 8.225 0.938 5 5 [**-*+]
1 50 LEU 8.419 0.829 5 5 [**-*+]
1 51 HIS 3.352 0.516 5 1 "[ +]"
1 52 GLY 5.878 0.806 1 3 "[+ -*.]"
1 53 PHE 6.174 0.938 5 2 "[ - +]"
1 54 HIS 3.500 0.725 3 2 "[ + -]"
1 55 VAL 8.377 2.043 3 5 [**+*-]
1 56 HIS 3.488 0.915 3 3 "[* +-.]"
1 57 GLU 10.245 0.783 3 5 [**+-*]
1 58 PHE 15.858 2.043 3 5 [**+*-]
1 59 GLY 7.245 0.960 2 4 [*+**.]
1 60 ASP 2.153 0.950 2 1 "[ + .]"
1 61 ASN 0.823 0.387 2 0 "[ .]"
1 62 THR 5.596 1.218 1 4 [+-**.]
1 63 ALA 1.656 0.622 2 1 "[ + .]"
1 64 GLY 4.711 1.441 4 4 "[* -+*]"
1 65 CYS 4.979 1.218 1 4 [+*-*.]
1 66 THR 18.907 1.972 4 5 [**-+*]
1 67 SER 11.653 1.299 4 5 [*-*+*]
1 68 ALA 6.588 1.972 4 5 [*-*+*]
1 69 GLY 1.195 0.640 1 1 "[+ .]"
1 71 HIS 0.735 0.413 3 0 "[ .]"
1 72 PHE 0.490 0.389 5 0 "[ .]"
1 73 ASN 2.320 0.640 1 2 "[+ -]"
1 75 LEU 6.382 0.910 1 5 [+-***]
1 76 SER 18.812 1.852 4 5 [***+-]
1 77 ARG 13.864 1.852 4 5 [***+-]
1 78 LYS 11.370 1.335 4 5 [*-*+*]
1 79 HIS 10.055 1.447 4 5 [*-*+*]
1 80 GLY 6.475 1.551 5 5 [****+]
1 81 GLY 2.968 1.269 3 2 "[ +-.]"
1 83 LYS 10.965 1.551 5 5 [****+]
1 84 ASP 9.613 1.647 3 3 "[**+ .]"
1 85 GLU 1.062 0.634 2 1 "[ + .]"
1 86 GLU 8.377 1.647 3 3 "[**+ .]"
1 87 ARG 3.614 0.621 3 1 "[ + .]"
1 88 HIS 3.659 1.149 2 2 "[-+ .]"
1 89 VAL 7.604 0.978 2 3 "[*+- .]"
1 90 GLY 4.207 0.657 3 3 "[*-+ .]"
1 91 ASP 4.387 0.794 4 5 [-**+*]
1 92 LEU 4.700 0.794 4 5 [**-+*]
1 93 GLY 1.602 0.366 4 0 "[ .]"
1 94 ASN 0.878 0.315 4 0 "[ .]"
1 95 VAL 4.912 1.088 2 5 [*+**-]
1 96 THR 9.264 1.186 3 5 [-*+**]
1 97 ALA 7.190 0.761 3 5 [-*+**]
1 98 ASP 2.629 0.939 3 3 "[-*+ .]"
1 99 LYS 7.368 1.186 3 5 [**+**]
1 100 ASP 7.530 0.757 5 3 "[ *- +]"
1 101 GLY 14.660 0.885 5 5 [****+]
1 102 VAL 7.282 0.657 3 5 [**+*-]
1 103 ALA 7.027 0.732 4 4 "[*- +*]"
1 104 ASP 8.698 1.019 3 4 [*-+*.]
1 105 VAL 17.174 1.019 3 5 [*-+**]
1 106 SER 5.228 0.790 4 4 [*-*+.]
1 107 ILE 0.979 0.286 5 0 "[ .]"
1 108 GLU 0.000 0.000 . 0 "[ .]"
1 109 ASP 3.669 0.832 5 2 "[ -+]"
1 110 SER 6.048 0.832 5 4 "[- **+]"
1 111 VAL 3.718 0.572 3 1 "[ + .]"
1 112 ILE 0.203 0.203 1 0 "[ .]"
1 113 SER 0.000 0.000 . 0 "[ .]"
1 114 LEU 2.992 0.518 1 1 "[+ .]"
1 115 SER 3.177 0.599 5 1 "[ +]"
1 116 GLY 0.000 0.000 . 0 "[ .]"
1 117 ASP 4.235 0.530 5 1 "[ +]"
1 118 HIS 4.523 0.599 5 2 "[ - +]"
1 119 CYS 0.137 0.137 2 0 "[ .]"
1 120 ILE 1.372 0.440 2 0 "[ .]"
1 121 ILE 4.386 0.532 3 1 "[ + .]"
1 122 GLY 0.409 0.243 4 0 "[ .]"
1 123 ARG 3.775 0.768 5 4 "[- **+]"
1 124 THR 0.482 0.274 2 0 "[ .]"
1 125 LEU 2.510 0.379 1 0 "[ .]"
1 126 VAL 3.883 0.383 2 0 "[ .]"
1 127 VAL 6.918 0.768 5 4 "[- **+]"
1 128 HIS 1.353 0.498 5 0 "[ .]"
1 129 GLU 2.608 0.851 3 1 "[ + .]"
1 130 LYS 0.000 0.000 . 0 "[ .]"
1 131 ALA 6.032 1.151 2 5 [*+-**]
1 132 ASP 8.280 1.070 2 4 "[ +*-*]"
1 133 ASP 2.541 0.703 3 3 "[ *+-.]"
1 134 LEU 14.084 1.355 3 5 [**+*-]
1 135 GLY 1.443 0.913 1 1 "[+ .]"
1 136 LYS 7.711 1.055 5 4 "[- **+]"
1 137 GLY 11.823 1.355 3 5 [**+-*]
1 138 GLY 8.360 1.438 4 5 [**-+*]
1 139 ASN 10.264 1.055 5 4 "[- **+]"
1 140 GLU 4.404 1.438 4 3 "[ *-+.]"
1 141 GLU 4.756 1.021 5 3 "[* -+]"
1 142 SER 13.885 2.041 3 5 [*-+**]
1 143 THR 5.436 1.901 4 4 [*-*+.]
1 144 LYS 14.010 1.535 4 5 [*-*+*]
1 145 THR 20.181 2.041 3 5 [*-+**]
1 146 GLY 17.926 1.901 4 5 [*-*+*]
1 147 ASN 3.466 0.546 4 2 "[- +.]"
1 148 ALA 7.260 1.165 4 3 "[*- +.]"
1 149 GLY 5.499 1.197 3 3 "[ *+ *]"
1 150 SER 7.976 0.627 2 4 [-+**.]
1 151 ARG 15.205 1.197 3 5 [**+-*]
1 152 LEU 13.010 1.119 4 5 [*-*+*]
1 153 ALA 7.893 0.895 2 2 "[ + *]"
1 154 CYS 8.681 1.119 4 5 [**-+*]
1 155 GLY 5.232 0.895 2 2 "[ + -]"
1 157 ILE 6.560 0.604 2 2 "[-+ .]"
1 158 GLY 5.666 0.663 4 2 "[- +.]"
1 159 ILE 4.325 0.680 3 3 "[ -+ *]"
1 160 ALA 3.431 0.680 3 4 "[- +**]"
1 161 GLN 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 9 ALA H 1 10 THR H . . 4.470 3.804 2.806 4.672 0.202 1 0 "[ .]" 1
2 1 9 ALA HA 1 10 THR H . . 3.140 2.648 2.385 2.893 . 0 0 "[ .]" 1
3 1 9 ALA MB 1 10 THR H . . 3.700 3.208 2.068 3.795 0.095 2 0 "[ .]" 1
4 1 10 THR H 1 11 LYS H . . 6.000 3.955 2.366 4.453 . 0 0 "[ .]" 1
5 1 10 THR H 1 12 ALA H . . 5.150 4.757 3.871 5.149 . 0 0 "[ .]" 1
6 1 10 THR H 1 13 VAL H . . 5.160 5.007 4.106 5.392 0.232 4 0 "[ .]" 1
7 1 10 THR H 1 14 CYS H . . 4.850 4.935 4.504 5.930 1.080 3 1 "[ + .]" 1
8 1 10 THR HA 1 11 LYS H . . 3.040 2.429 2.183 3.149 0.109 3 0 "[ .]" 1
9 1 10 THR HG1 1 11 LYS H . . 4.470 4.837 4.237 5.173 0.703 4 2 "[- +.]" 1
10 1 10 THR HG1 1 12 ALA H . . 4.950 4.563 3.217 6.134 1.184 3 1 "[ + .]" 1
11 1 11 LYS H 1 12 ALA HA . . 4.005 5.117 4.730 5.379 1.374 4 5 [**-+*] 1
12 1 11 LYS H 1 12 ALA MB . . 4.650 4.179 3.755 4.483 . 0 0 "[ .]" 1
13 1 11 LYS H 1 14 CYS H . . 4.450 4.852 3.828 5.155 0.705 2 4 "[*+ *-]" 1
14 1 11 LYS HB2 1 12 ALA H . . 4.390 4.193 3.317 4.498 0.108 2 0 "[ .]" 1
15 1 11 LYS HB3 1 12 ALA H . . 4.540 4.448 3.987 4.628 0.088 5 0 "[ .]" 1
16 1 12 ALA H 1 13 VAL H . . 4.050 2.641 2.487 2.997 . 0 0 "[ .]" 1
17 1 12 ALA H 1 13 VAL MG2 . . 5.020 4.013 3.680 4.300 . 0 0 "[ .]" 1
18 1 12 ALA H 1 14 CYS H . . 4.560 3.650 3.334 4.134 . 0 0 "[ .]" 1
19 1 12 ALA HA 1 13 VAL H . . 3.440 3.607 3.596 3.616 0.176 2 0 "[ .]" 1
20 1 12 ALA MB 1 13 VAL H . . 3.860 2.372 2.237 2.588 . 0 0 "[ .]" 1
21 1 13 VAL H 1 14 CYS H . . 4.110 2.690 2.380 2.809 . 0 0 "[ .]" 1
22 1 13 VAL H 1 16 LEU H . . 5.080 5.690 5.567 5.949 0.869 5 4 "[* -*+]" 1
23 1 14 CYS H 1 15 VAL H . . 4.160 2.614 2.065 2.858 . 0 0 "[ .]" 1
24 1 14 CYS H 1 16 LEU H . . 5.320 4.798 4.435 4.978 . 0 0 "[ .]" 1
25 1 15 VAL H 1 16 LEU HA . . 4.860 5.248 5.202 5.284 0.424 3 0 "[ .]" 1
26 1 15 VAL H 1 16 LEU HB3 . . 5.180 5.115 5.041 5.263 0.083 2 0 "[ .]" 1
27 1 15 VAL H 1 16 LEU HG . . 4.800 4.107 3.910 4.363 . 0 0 "[ .]" 1
28 1 15 VAL H 1 17 LYS H . . 3.310 3.847 3.739 4.006 0.696 3 3 "[*-+ .]" 1
29 1 15 VAL H 1 18 GLY H . . 4.390 4.838 4.664 5.086 0.696 2 2 "[ +- .]" 1
30 1 15 VAL HA 1 16 LEU H . . 3.780 3.590 3.552 3.619 . 0 0 "[ .]" 1
31 1 15 VAL HA 1 17 LYS H . . 4.380 3.954 3.835 4.245 . 0 0 "[ .]" 1
32 1 16 LEU HA 1 17 LYS H . . 3.950 3.236 3.138 3.430 . 0 0 "[ .]" 1
33 1 16 LEU HA 1 19 ASP H . . 4.420 4.739 4.486 5.109 0.689 2 2 "[ + -.]" 1
34 1 17 LYS H 1 18 GLY H . . 4.100 2.026 1.844 2.317 . 0 0 "[ .]" 1
35 1 17 LYS H 1 18 GLY HA3 . . 3.710 4.111 3.867 4.416 0.706 1 1 "[+ .]" 1
36 1 18 GLY H 1 19 ASP H . . 4.090 2.155 1.980 2.454 . 0 0 "[ .]" 1
37 1 18 GLY HA3 1 19 ASP H . . 3.090 2.748 2.440 3.026 . 0 0 "[ .]" 1
38 1 19 ASP H 1 20 GLY H . . 3.930 2.860 2.299 3.276 . 0 0 "[ .]" 1
39 1 19 ASP HA 1 20 GLY H . . 3.360 3.232 2.837 3.538 0.178 3 0 "[ .]" 1
40 1 19 ASP HB3 1 20 GLY H . . 4.040 4.154 3.855 4.413 0.373 4 0 "[ .]" 1
41 1 22 VAL H 1 23 GLN HA . . 5.790 5.506 5.304 5.649 . 0 0 "[ .]" 1
42 1 22 VAL H 1 23 GLN QB . . 4.030 4.892 4.699 5.011 0.981 4 5 [-**+*] 1
43 1 22 VAL H 1 24 GLY H . . 5.600 4.541 4.461 4.593 . 0 0 "[ .]" 1
44 1 22 VAL HA 1 24 GLY H . . 5.600 3.435 3.342 3.565 . 0 0 "[ .]" 1
45 1 22 VAL HA 1 25 ILE H . . 5.460 3.694 3.074 4.079 . 0 0 "[ .]" 1
46 1 22 VAL HB 1 23 GLN H . . 3.970 4.149 4.074 4.209 0.239 1 0 "[ .]" 1
47 1 22 VAL HB 1 24 GLY H . . 4.210 5.114 5.030 5.239 1.029 1 5 [+*-**] 1
48 1 22 VAL MG2 1 23 GLN H . . 4.960 2.814 2.713 2.871 . 0 0 "[ .]" 1
49 1 23 GLN H 1 24 GLY HA3 . . 5.640 4.999 4.967 5.029 . 0 0 "[ .]" 1
50 1 23 GLN H 1 25 ILE H . . 5.160 4.508 4.257 4.646 . 0 0 "[ .]" 1
51 1 23 GLN HA 1 24 GLY H . . 3.590 3.498 3.488 3.514 . 0 0 "[ .]" 1
52 1 23 GLN QB 1 24 GLY H . . 3.990 3.735 3.680 3.789 . 0 0 "[ .]" 1
53 1 23 GLN HG3 1 24 GLY H . . 4.640 3.504 2.469 4.518 . 0 0 "[ .]" 1
54 1 24 GLY H 1 25 ILE H . . 3.780 2.854 2.662 3.019 . 0 0 "[ .]" 1
55 1 24 GLY H 1 25 ILE HA . . 5.565 5.475 5.303 5.596 0.031 1 0 "[ .]" 1
56 1 24 GLY H 1 25 ILE MD . . 4.890 4.900 4.796 5.149 0.259 1 0 "[ .]" 1
57 1 24 GLY H 1 26 ILE H . . 5.100 4.754 4.610 5.031 . 0 0 "[ .]" 1
58 1 24 GLY H 1 27 ASN H . . 5.100 4.926 4.738 5.175 0.075 1 0 "[ .]" 1
59 1 24 GLY HA3 1 25 ILE H . . 3.800 3.087 3.030 3.172 . 0 0 "[ .]" 1
60 1 25 ILE H 1 26 ILE H . . 5.300 2.699 2.566 2.871 . 0 0 "[ .]" 1
61 1 25 ILE H 1 26 ILE HA . . 5.450 5.301 5.167 5.449 . 0 0 "[ .]" 1
62 1 25 ILE H 1 27 ASN H . . 5.420 3.904 3.817 4.106 . 0 0 "[ .]" 1
63 1 25 ILE H 1 28 PHE H . . 4.675 4.592 4.489 4.722 0.047 1 0 "[ .]" 1
64 1 25 ILE HA 1 27 ASN H . . 6.000 4.375 4.212 4.485 . 0 0 "[ .]" 1
65 1 25 ILE HA 1 28 PHE H . . 3.920 3.368 3.247 3.498 . 0 0 "[ .]" 1
66 1 26 ILE H 1 27 ASN H . . 3.830 2.806 2.647 2.951 . 0 0 "[ .]" 1
67 1 26 ILE HA 1 27 ASN H . . 4.250 3.546 3.497 3.599 . 0 0 "[ .]" 1
68 1 26 ILE HA 1 29 GLU H . . 3.750 3.762 3.704 3.880 0.130 2 0 "[ .]" 1
69 1 27 ASN H 1 28 PHE H . . 6.000 2.588 2.412 2.785 . 0 0 "[ .]" 1
70 1 27 ASN H 1 28 PHE HA . . 4.920 5.250 5.132 5.384 0.464 4 0 "[ .]" 1
71 1 27 ASN H 1 28 PHE HB3 . . 4.200 4.680 4.419 4.974 0.774 4 1 "[ +.]" 1
72 1 27 ASN H 1 30 GLN H . . 4.270 4.713 4.476 4.870 0.600 4 2 "[ +-]" 1
73 1 27 ASN HA 1 28 PHE H . . 4.230 3.481 3.323 3.544 . 0 0 "[ .]" 1
74 1 27 ASN HA 1 30 GLN H . . 4.650 3.367 3.104 3.519 . 0 0 "[ .]" 1
75 1 27 ASN HA 1 31 LYS H . . 5.420 4.661 4.552 4.800 . 0 0 "[ .]" 1
76 1 27 ASN QB 1 28 PHE H . . 4.190 3.204 3.032 3.502 . 0 0 "[ .]" 1
77 1 27 ASN QB 1 30 GLN H . . 4.450 5.069 4.847 5.265 0.815 4 3 "[ *+-]" 1
78 1 28 PHE H 1 29 GLU H . . 3.660 2.558 2.392 2.675 . 0 0 "[ .]" 1
79 1 28 PHE H 1 29 GLU HA . . 6.000 5.161 4.967 5.258 . 0 0 "[ .]" 1
80 1 28 PHE HA 1 29 GLU H . . 4.440 3.618 3.598 3.641 . 0 0 "[ .]" 1
81 1 28 PHE HA 1 30 GLN H . . 3.590 4.581 4.416 4.680 1.090 3 5 [*-+**] 1
82 1 28 PHE HB3 1 29 GLU H . . 3.840 2.481 2.420 2.646 . 0 0 "[ .]" 1
83 1 29 GLU H 1 30 GLN H . . 4.140 2.919 2.812 2.974 . 0 0 "[ .]" 1
84 1 29 GLU H 1 31 LYS H . . 5.380 4.461 4.295 4.571 . 0 0 "[ .]" 1
85 1 29 GLU HA 1 30 GLN H . . 4.250 3.608 3.583 3.633 . 0 0 "[ .]" 1
86 1 30 GLN H 1 31 LYS H . . 4.090 2.992 2.901 3.087 . 0 0 "[ .]" 1
87 1 30 GLN H 1 31 LYS HB3 . . 4.940 5.293 5.096 5.513 0.573 3 1 "[ + .]" 1
88 1 30 GLN H 1 32 GLU H . . 5.160 4.337 4.256 4.471 . 0 0 "[ .]" 1
89 1 31 LYS H 1 32 GLU H . . 4.050 2.383 2.283 2.496 . 0 0 "[ .]" 1
90 1 31 LYS H 1 32 GLU HA . . 4.770 5.116 5.034 5.197 0.427 5 0 "[ .]" 1
91 1 31 LYS H 1 32 GLU HB2 . . 4.950 4.690 4.488 4.858 . 0 0 "[ .]" 1
92 1 31 LYS H 1 32 GLU QG . . 4.080 3.675 3.386 3.891 . 0 0 "[ .]" 1
93 1 31 LYS H 1 33 SER H . . 5.660 3.853 3.661 3.918 . 0 0 "[ .]" 1
94 1 31 LYS HA 1 32 GLU H . . 3.970 3.406 3.334 3.466 . 0 0 "[ .]" 1
95 1 31 LYS HB3 1 32 GLU H . . 3.920 3.624 3.127 4.200 0.280 5 0 "[ .]" 1
96 1 31 LYS HG3 1 32 GLU H . . 5.160 4.429 3.737 5.054 . 0 0 "[ .]" 1
97 1 32 GLU H 1 33 SER H . . 3.810 2.065 1.893 2.191 . 0 0 "[ .]" 1
98 1 32 GLU H 1 33 SER HA . . 3.860 4.562 4.409 4.661 0.801 1 5 [+***-] 1
99 1 32 GLU H 1 33 SER HB3 . . 4.600 4.105 3.864 4.332 . 0 0 "[ .]" 1
100 1 32 GLU H 1 34 ASN H . . 5.100 4.893 4.564 5.082 . 0 0 "[ .]" 1
101 1 32 GLU HA 1 33 SER H . . 3.380 3.422 3.334 3.503 0.123 3 0 "[ .]" 1
102 1 32 GLU HA 1 34 ASN H . . 5.540 4.459 4.104 4.856 . 0 0 "[ .]" 1
103 1 32 GLU HB2 1 33 SER H . . 4.390 3.213 2.894 3.485 . 0 0 "[ .]" 1
104 1 32 GLU QG 1 33 SER H . . 4.150 4.114 3.976 4.293 0.143 1 0 "[ .]" 1
105 1 33 SER H 1 34 ASN H . . 4.010 3.345 3.082 3.622 . 0 0 "[ .]" 1
106 1 33 SER H 1 35 GLY H . . 3.770 4.155 4.001 4.347 0.577 3 2 "[ + -]" 1
107 1 33 SER HA 1 34 ASN H . . 4.600 3.592 3.563 3.621 . 0 0 "[ .]" 1
108 1 33 SER HA 1 35 GLY H . . 4.660 4.106 3.912 4.258 . 0 0 "[ .]" 1
109 1 33 SER HB3 1 34 ASN H . . 3.910 2.802 2.261 3.837 . 0 0 "[ .]" 1
110 1 34 ASN H 1 35 GLY H . . 3.900 2.569 2.268 2.855 . 0 0 "[ .]" 1
111 1 34 ASN HA 1 35 GLY H . . 3.750 3.099 2.719 3.289 . 0 0 "[ .]" 1
112 1 34 ASN HB2 1 35 GLY H . . 4.900 4.415 4.328 4.568 . 0 0 "[ .]" 1
113 1 34 ASN HB3 1 35 GLY H . . 4.790 4.225 3.673 4.608 . 0 0 "[ .]" 1
114 1 37 VAL H 1 38 LYS H . . 5.400 2.998 2.789 3.138 . 0 0 "[ .]" 1
115 1 37 VAL H 1 41 GLY H . . 5.740 5.460 5.340 5.684 . 0 0 "[ .]" 1
116 1 37 VAL HA 1 38 LYS H . . 6.000 3.525 3.435 3.613 . 0 0 "[ .]" 1
117 1 37 VAL HB 1 38 LYS H . . 3.870 3.579 2.841 4.176 0.306 3 0 "[ .]" 1
118 1 37 VAL MG2 1 38 LYS H . . 3.760 3.144 2.472 3.910 0.150 4 0 "[ .]" 1
119 1 38 LYS H 1 39 VAL H . . 3.970 2.655 2.507 2.767 . 0 0 "[ .]" 1
120 1 38 LYS H 1 40 TRP H . . 4.390 4.166 3.829 4.452 0.062 4 0 "[ .]" 1
121 1 38 LYS H 1 40 TRP HB3 . . 5.830 5.373 5.113 5.534 . 0 0 "[ .]" 1
122 1 38 LYS HA 1 39 VAL H . . 3.570 3.534 3.470 3.582 0.012 1 0 "[ .]" 1
123 1 38 LYS HA 1 41 GLY H . . 4.210 3.931 3.652 4.134 . 0 0 "[ .]" 1
124 1 38 LYS HA 1 42 SER H . . 5.470 5.025 4.627 5.357 . 0 0 "[ .]" 1
125 1 38 LYS HB3 1 39 VAL H . . 3.910 3.420 2.935 4.248 0.338 2 0 "[ .]" 1
126 1 39 VAL H 1 41 GLY H . . 4.010 3.747 3.356 3.958 . 0 0 "[ .]" 1
127 1 39 VAL HA 1 40 TRP H . . 6.000 3.610 3.586 3.632 . 0 0 "[ .]" 1
128 1 39 VAL HB 1 40 TRP H . . 3.840 3.249 2.384 3.825 . 0 0 "[ .]" 1
129 1 39 VAL MG1 1 40 TRP H . . 3.770 3.729 3.406 3.973 0.203 4 0 "[ .]" 1
130 1 39 VAL MG2 1 40 TRP H . . 3.800 2.836 2.140 3.861 0.061 2 0 "[ .]" 1
131 1 40 TRP H 1 41 GLY H . . 3.860 2.786 2.574 2.896 . 0 0 "[ .]" 1
132 1 40 TRP H 1 42 SER H . . 4.644 4.321 4.206 4.467 . 0 0 "[ .]" 1
133 1 40 TRP H 1 43 ILE H . . 4.940 4.972 4.823 5.078 0.138 1 0 "[ .]" 1
134 1 40 TRP HA 1 41 GLY H . . 4.540 3.539 3.508 3.566 . 0 0 "[ .]" 1
135 1 40 TRP HA 1 42 SER H . . 5.380 3.875 3.767 4.068 . 0 0 "[ .]" 1
136 1 40 TRP HA 1 43 ILE H . . 5.230 3.001 2.953 3.127 . 0 0 "[ .]" 1
137 1 40 TRP HB3 1 41 GLY H . . 4.090 3.010 2.867 3.155 . 0 0 "[ .]" 1
138 1 41 GLY H 1 42 SER H . . 4.110 2.800 2.743 2.871 . 0 0 "[ .]" 1
139 1 41 GLY H 1 42 SER HA . . 5.350 5.447 5.415 5.491 0.141 4 0 "[ .]" 1
140 1 41 GLY H 1 43 ILE H . . 4.970 4.281 4.120 4.401 . 0 0 "[ .]" 1
141 1 41 GLY H 1 43 ILE QG . . 5.350 4.775 4.723 4.884 . 0 0 "[ .]" 1
142 1 41 GLY H 1 44 LYS HB3 . . 5.470 5.566 5.256 5.787 0.317 1 0 "[ .]" 1
143 1 41 GLY H 1 44 LYS HD3 . . 5.000 4.768 3.988 5.226 0.226 3 0 "[ .]" 1
144 1 41 GLY HA2 1 42 SER H . . 4.000 3.562 3.518 3.644 . 0 0 "[ .]" 1
145 1 41 GLY HA2 1 43 ILE H . . 5.400 4.548 4.181 4.731 . 0 0 "[ .]" 1
146 1 41 GLY HA3 1 42 SER H . . 4.110 3.009 2.915 3.074 . 0 0 "[ .]" 1
147 1 42 SER H 1 43 ILE H . . 4.080 2.502 2.426 2.590 . 0 0 "[ .]" 1
148 1 42 SER H 1 43 ILE HB . . 4.990 5.059 4.902 5.179 0.189 2 0 "[ .]" 1
149 1 42 SER H 1 43 ILE MD . . 4.280 4.228 4.078 4.415 0.135 1 0 "[ .]" 1
150 1 42 SER H 1 43 ILE QG . . 4.850 3.731 3.680 3.773 . 0 0 "[ .]" 1
151 1 42 SER H 1 43 ILE MG . . 5.225 5.826 5.774 5.876 0.651 1 5 [+**-*] 1
152 1 42 SER H 1 45 GLY H . . 4.605 4.832 4.427 5.052 0.447 5 0 "[ .]" 1
153 1 42 SER HA 1 43 ILE H . . 4.200 3.569 3.439 3.605 . 0 0 "[ .]" 1
154 1 42 SER HA 1 45 GLY H . . 5.080 3.798 3.643 3.937 . 0 0 "[ .]" 1
155 1 42 SER HA 1 46 LEU H . . 4.670 3.711 3.383 4.004 . 0 0 "[ .]" 1
156 1 42 SER HB2 1 43 ILE H . . 4.760 3.960 3.830 4.337 . 0 0 "[ .]" 1
157 1 42 SER HB2 1 45 GLY H . . 6.000 5.925 5.825 6.101 0.101 5 0 "[ .]" 1
158 1 42 SER HB2 1 46 LEU H . . 6.000 5.764 4.978 6.200 0.200 3 0 "[ .]" 1
159 1 42 SER HB3 1 43 ILE H . . 3.670 2.896 2.442 4.289 0.619 2 1 "[ + .]" 1
160 1 42 SER HB3 1 45 GLY H . . 6.000 5.721 5.488 6.209 0.209 2 0 "[ .]" 1
161 1 42 SER HB3 1 46 LEU H . . 6.000 5.756 5.664 5.862 . 0 0 "[ .]" 1
162 1 43 ILE H 1 45 GLY H . . 4.980 4.014 3.745 4.134 . 0 0 "[ .]" 1
163 1 43 ILE H 1 46 LEU H . . 4.450 4.998 4.859 5.247 0.797 5 3 "[ * -+]" 1
164 1 43 ILE H 1 46 LEU HG . . 5.000 5.027 4.610 5.701 0.701 5 1 "[ +]" 1
165 1 44 LYS HB3 1 45 GLY H . . 5.250 3.869 3.364 4.098 . 0 0 "[ .]" 1
166 1 44 LYS HD3 1 45 GLY H . . 3.960 3.101 2.471 4.716 0.756 2 1 "[ + .]" 1
167 1 45 GLY H 1 46 LEU H . . 3.920 2.616 2.512 2.770 . 0 0 "[ .]" 1
168 1 45 GLY H 1 46 LEU HA . . 6.000 4.784 4.112 5.270 . 0 0 "[ .]" 1
169 1 45 GLY H 1 46 LEU MD1 . . 4.750 4.893 4.669 5.120 0.370 1 0 "[ .]" 1
170 1 45 GLY H 1 47 THR H . . 4.580 4.464 3.711 5.252 0.672 2 1 "[ + .]" 1
171 1 45 GLY HA3 1 46 LEU H . . 3.620 3.197 2.799 3.634 0.014 2 0 "[ .]" 1
172 1 45 GLY HA3 1 47 THR H . . 6.000 4.381 4.103 4.656 . 0 0 "[ .]" 1
173 1 46 LEU H 1 47 THR H . . 3.710 2.856 2.689 2.981 . 0 0 "[ .]" 1
174 1 46 LEU H 1 47 THR HA . . 4.940 5.475 5.343 5.579 0.639 2 3 "[ +* -]" 1
175 1 46 LEU H 1 47 THR HB . . 4.840 5.249 5.131 5.340 0.500 3 1 "[ + .]" 1
176 1 46 LEU H 1 47 THR HG1 . . 4.270 5.138 4.220 5.842 1.572 2 3 "[ +* -]" 1
177 1 46 LEU H 1 48 GLU H . . 4.790 4.345 4.185 4.685 . 0 0 "[ .]" 1
178 1 46 LEU HA 1 48 GLU H . . 4.765 4.129 3.885 4.574 . 0 0 "[ .]" 1
179 1 46 LEU HA 1 49 GLY H . . 3.770 3.298 3.218 3.434 . 0 0 "[ .]" 1
180 1 46 LEU HB3 1 47 THR H . . 4.310 4.262 4.226 4.317 0.007 5 0 "[ .]" 1
181 1 46 LEU MD1 1 47 THR H . . 4.180 2.243 1.782 2.780 . 0 0 "[ .]" 1
182 1 46 LEU HG 1 47 THR H . . 4.250 3.282 2.866 3.672 . 0 0 "[ .]" 1
183 1 47 THR H 1 48 GLU H . . 3.930 2.670 2.543 2.801 . 0 0 "[ .]" 1
184 1 47 THR H 1 48 GLU HA . . 4.485 5.326 5.232 5.453 0.968 2 5 [-+***] 1
185 1 47 THR H 1 48 GLU HB2 . . 4.690 5.081 4.765 5.407 0.717 5 2 "[ - +]" 1
186 1 47 THR H 1 48 GLU HG3 . . 5.370 4.331 3.805 5.125 . 0 0 "[ .]" 1
187 1 47 THR H 1 49 GLY H . . 5.600 4.159 3.839 4.300 . 0 0 "[ .]" 1
188 1 47 THR HA 1 48 GLU H . . 4.400 3.552 3.518 3.629 . 0 0 "[ .]" 1
189 1 47 THR HA 1 50 LEU H . . 3.870 3.517 3.343 3.623 . 0 0 "[ .]" 1
190 1 47 THR HG1 1 48 GLU H . . 4.420 4.584 4.269 4.972 0.552 2 1 "[ + .]" 1
191 1 48 GLU H 1 49 GLY H . . 6.000 2.499 2.350 2.608 . 0 0 "[ .]" 1
192 1 48 GLU H 1 49 GLY QA . . 4.410 4.415 4.286 4.531 0.121 5 0 "[ .]" 1
193 1 48 GLU H 1 50 LEU H . . 4.990 4.171 3.888 4.482 . 0 0 "[ .]" 1
194 1 48 GLU H 1 51 HIS H . . 4.845 5.038 4.847 5.206 0.361 1 0 "[ .]" 1
195 1 48 GLU HA 1 49 GLY H . . 6.000 3.571 3.527 3.594 . 0 0 "[ .]" 1
196 1 48 GLU HA 1 50 LEU H . . 4.450 4.601 4.552 4.688 0.238 1 0 "[ .]" 1
197 1 48 GLU HB2 1 49 GLY H . . 3.730 2.798 2.587 3.106 . 0 0 "[ .]" 1
198 1 48 GLU HB2 1 50 LEU H . . 5.570 5.366 5.171 5.550 . 0 0 "[ .]" 1
199 1 48 GLU HG3 1 49 GLY H . . 4.870 4.320 3.979 4.742 . 0 0 "[ .]" 1
200 1 49 GLY H 1 50 LEU H . . 3.730 2.824 2.718 2.866 . 0 0 "[ .]" 1
201 1 49 GLY H 1 50 LEU QB . . 4.380 4.996 4.681 5.165 0.785 2 4 "[*+ -*]" 1
202 1 49 GLY H 1 50 LEU QD . . 4.570 4.755 4.502 5.175 0.605 3 1 "[ + .]" 1
203 1 49 GLY H 1 50 LEU HG . . 4.820 4.534 4.114 5.518 0.698 3 1 "[ + .]" 1
204 1 49 GLY H 1 53 PHE H . . 5.575 5.856 5.307 6.513 0.938 5 1 "[ +]" 1
205 1 49 GLY QA 1 50 LEU H . . 3.800 2.752 2.735 2.791 . 0 0 "[ .]" 1
206 1 49 GLY QA 1 52 GLY H . . 3.170 3.491 3.355 3.678 0.508 3 1 "[ + .]" 1
207 1 50 LEU H 1 52 GLY H . . 5.080 4.213 3.991 4.397 . 0 0 "[ .]" 1
208 1 50 LEU H 1 53 PHE H . . 4.555 4.982 4.749 5.384 0.829 5 1 "[ +]" 1
209 1 50 LEU HA 1 51 HIS H . . 3.440 3.517 3.381 3.626 0.186 2 0 "[ .]" 1
210 1 50 LEU HA 1 52 GLY H . . 5.050 4.588 4.308 4.989 . 0 0 "[ .]" 1
211 1 50 LEU HA 1 53 PHE H . . 4.800 4.113 3.725 4.370 . 0 0 "[ .]" 1
212 1 50 LEU QB 1 51 HIS H . . 4.880 3.562 2.909 3.903 . 0 0 "[ .]" 1
213 1 50 LEU QB 1 52 GLY H . . 5.340 5.247 4.993 5.520 0.180 4 0 "[ .]" 1
214 1 50 LEU QB 1 53 PHE H . . 5.665 5.468 5.169 5.619 . 0 0 "[ .]" 1
215 1 50 LEU QD 1 51 HIS H . . 4.970 3.003 2.382 4.313 . 0 0 "[ .]" 1
216 1 50 LEU HG 1 51 HIS H . . 5.280 3.332 2.553 4.982 . 0 0 "[ .]" 1
217 1 51 HIS H 1 52 GLY H . . 4.950 2.376 2.035 2.679 . 0 0 "[ .]" 1
218 1 51 HIS H 1 52 GLY HA2 . . 5.180 5.109 4.835 5.370 0.190 2 0 "[ .]" 1
219 1 51 HIS H 1 53 PHE H . . 5.760 3.957 3.466 4.394 . 0 0 "[ .]" 1
220 1 51 HIS H 1 54 HIS H . . 4.570 4.716 4.249 5.086 0.516 5 1 "[ +]" 1
221 1 51 HIS H 1 55 VAL H . . 5.390 5.439 5.299 5.600 0.210 5 0 "[ .]" 1
222 1 51 HIS HA 1 52 GLY H . . 3.940 3.516 3.456 3.607 . 0 0 "[ .]" 1
223 1 51 HIS HA 1 53 PHE H . . 4.970 4.224 3.858 4.624 . 0 0 "[ .]" 1
224 1 51 HIS HB2 1 52 GLY H . . 4.100 3.452 3.293 3.651 . 0 0 "[ .]" 1
225 1 51 HIS HB3 1 52 GLY H . . 4.180 3.664 3.579 3.722 . 0 0 "[ .]" 1
226 1 52 GLY H 1 53 PHE H . . 3.640 2.522 2.419 2.663 . 0 0 "[ .]" 1
227 1 52 GLY H 1 53 PHE HB2 . . 4.540 4.440 4.221 4.638 0.098 3 0 "[ .]" 1
228 1 52 GLY H 1 54 HIS H . . 4.700 4.193 4.114 4.275 . 0 0 "[ .]" 1
229 1 52 GLY H 1 55 VAL H . . 4.300 4.706 4.589 4.781 0.481 4 0 "[ .]" 1
230 1 52 GLY H 1 56 HIS H . . 5.610 5.789 5.201 6.416 0.806 1 2 "[+ -.]" 1
231 1 52 GLY HA2 1 53 PHE H . . 3.630 3.418 3.189 3.607 . 0 0 "[ .]" 1
232 1 52 GLY HA3 1 53 PHE H . . 3.650 3.194 2.804 3.428 . 0 0 "[ .]" 1
233 1 53 PHE H 1 54 HIS H . . 4.410 2.247 2.056 2.728 . 0 0 "[ .]" 1
234 1 53 PHE H 1 55 VAL H . . 5.460 3.259 2.781 4.212 . 0 0 "[ .]" 1
235 1 53 PHE H 1 57 GLU H . . 5.510 5.473 5.036 6.249 0.739 3 1 "[ + .]" 1
236 1 53 PHE HB2 1 54 HIS H . . 3.410 3.672 3.240 4.135 0.725 3 1 "[ + .]" 1
237 1 53 PHE HB3 1 54 HIS H . . 3.790 2.756 2.479 3.605 . 0 0 "[ .]" 1
238 1 54 HIS H 1 56 HIS H . . 4.660 4.005 3.574 4.283 . 0 0 "[ .]" 1
239 1 54 HIS H 1 58 PHE H . . 6.000 5.437 5.153 6.088 0.088 3 0 "[ .]" 1
240 1 54 HIS HA 1 55 VAL H . . 3.230 3.370 3.312 3.485 0.255 2 0 "[ .]" 1
241 1 54 HIS HB2 1 55 VAL H . . 4.270 3.976 3.627 4.260 . 0 0 "[ .]" 1
242 1 54 HIS HB3 1 55 VAL H . . 4.030 3.612 3.347 3.875 . 0 0 "[ .]" 1
243 1 55 VAL H 1 56 HIS H . . 4.160 2.143 1.947 2.369 . 0 0 "[ .]" 1
244 1 55 VAL H 1 58 PHE H . . 3.725 4.782 4.241 5.768 2.043 3 5 [**+*-] 1
245 1 56 HIS H 1 57 GLU H . . 3.790 2.304 2.000 2.705 . 0 0 "[ .]" 1
246 1 56 HIS H 1 58 PHE HA . . 4.515 4.912 4.529 5.430 0.915 3 2 "[ +-.]" 1
247 1 56 HIS HA 1 57 GLU H . . 6.000 3.580 3.556 3.605 . 0 0 "[ .]" 1
248 1 57 GLU H 1 58 PHE H . . 4.040 2.278 2.102 2.708 . 0 0 "[ .]" 1
249 1 57 GLU H 1 58 PHE HA . . 3.745 4.384 4.167 4.528 0.783 3 4 "[* +-*]" 1
250 1 57 GLU H 1 59 GLY H . . 4.450 3.788 3.443 4.012 . 0 0 "[ .]" 1
251 1 57 GLU H 1 59 GLY HA2 . . 5.690 5.322 5.038 5.817 0.127 3 0 "[ .]" 1
252 1 57 GLU HA 1 58 PHE H . . 3.210 3.427 3.203 3.551 0.341 4 0 "[ .]" 1
253 1 57 GLU HA 1 59 GLY H . . 4.470 4.889 4.180 5.212 0.742 4 3 "[- *+.]" 1
254 1 57 GLU HB2 1 58 PHE H . . 3.810 3.226 1.995 4.303 0.493 5 0 "[ .]" 1
255 1 57 GLU HB3 1 58 PHE H . . 3.730 3.745 2.699 4.417 0.687 5 2 "[ - +]" 1
256 1 57 GLU HG3 1 58 PHE H . . 4.480 4.034 1.749 4.887 0.407 2 0 "[ .]" 1
257 1 58 PHE H 1 59 GLY H . . 6.000 2.349 1.797 3.273 . 0 0 "[ .]" 1
258 1 58 PHE H 1 59 GLY HA2 . . 4.230 4.364 3.777 5.190 0.960 2 1 "[ + .]" 1
259 1 58 PHE HA 1 59 GLY H . . 3.730 3.486 3.343 3.548 . 0 0 "[ .]" 1
260 1 58 PHE QB 1 59 GLY H . . 3.840 2.988 2.524 3.417 . 0 0 "[ .]" 1
261 1 58 PHE QB 1 61 ASN H . . 5.370 3.867 2.534 4.978 . 0 0 "[ .]" 1
262 1 59 GLY H 1 60 ASP HA . . 4.030 4.433 3.892 4.980 0.950 2 1 "[ + .]" 1
263 1 59 GLY H 1 62 THR H . . 3.755 3.913 3.498 4.278 0.523 2 1 "[ + .]" 1
264 1 59 GLY HA3 1 60 ASP H . . 5.030 3.410 2.713 3.612 . 0 0 "[ .]" 1
265 1 60 ASP H 1 61 ASN H . . 5.020 2.933 2.530 3.157 . 0 0 "[ .]" 1
266 1 61 ASN H 1 62 THR HA . . 4.400 4.199 4.030 4.787 0.387 2 0 "[ .]" 1
267 1 61 ASN HA 1 62 THR H . . 3.440 3.484 3.223 3.595 0.155 3 0 "[ .]" 1
268 1 61 ASN HB2 1 62 THR H . . 4.650 3.177 2.160 4.046 . 0 0 "[ .]" 1
269 1 61 ASN HB3 1 62 THR H . . 4.580 3.281 2.931 4.066 . 0 0 "[ .]" 1
270 1 62 THR H 1 63 ALA H . . 6.000 3.128 2.369 4.018 . 0 0 "[ .]" 1
271 1 62 THR H 1 65 CYS H . . 3.955 4.694 4.144 5.173 1.218 1 4 [+*-*.] 1
272 1 62 THR HA 1 63 ALA H . . 6.000 3.560 3.536 3.589 . 0 0 "[ .]" 1
273 1 63 ALA H 1 64 GLY H . . 3.680 2.026 1.854 2.322 . 0 0 "[ .]" 1
274 1 63 ALA H 1 66 THR HA . . 4.200 4.531 4.380 4.822 0.622 2 1 "[ + .]" 1
275 1 64 GLY H 1 65 CYS H . . 5.390 3.160 2.951 3.519 . 0 0 "[ .]" 1
276 1 64 GLY H 1 66 THR H . . 4.060 4.181 3.546 5.501 1.441 4 1 "[ +.]" 1
277 1 64 GLY H 1 66 THR HA . . 4.100 4.754 4.572 5.011 0.911 4 4 "[* -+*]" 1
278 1 65 CYS H 1 66 THR H . . 3.580 3.836 3.593 4.588 1.008 4 1 "[ +.]" 1
279 1 65 CYS HA 1 66 THR H . . 4.010 3.471 3.162 3.570 . 0 0 "[ .]" 1
280 1 65 CYS HB3 1 66 THR H . . 4.770 2.551 2.264 2.701 . 0 0 "[ .]" 1
281 1 66 THR H 1 67 SER HA . . 3.830 4.592 4.400 5.129 1.299 4 5 [*-*+*] 1
282 1 66 THR H 1 67 SER HB3 . . 3.750 4.287 4.000 4.649 0.899 3 2 "[ + -]" 1
283 1 66 THR H 1 68 ALA HA . . 3.985 4.678 4.289 5.957 1.972 4 1 "[ +.]" 1
284 1 66 THR HA 1 67 SER H . . 3.400 3.524 3.378 3.605 0.205 3 0 "[ .]" 1
285 1 66 THR HB 1 67 SER H . . 3.380 3.161 2.849 4.035 0.655 4 1 "[ +.]" 1
286 1 67 SER H 1 68 ALA H . . 3.320 2.152 1.909 2.290 . 0 0 "[ .]" 1
287 1 67 SER H 1 68 ALA HA . . 6.000 4.303 4.047 4.451 . 0 0 "[ .]" 1
288 1 67 SER H 1 68 ALA MB . . 3.730 4.355 4.032 4.464 0.734 3 4 "[*-+ *]" 1
289 1 67 SER HA 1 68 ALA H . . 4.490 3.472 3.439 3.491 . 0 0 "[ .]" 1
290 1 67 SER HA 1 69 GLY H . . 5.840 4.145 4.028 4.265 . 0 0 "[ .]" 1
291 1 67 SER HA 1 71 HIS H . . 4.600 4.672 4.294 5.013 0.413 3 0 "[ .]" 1
292 1 68 ALA H 1 69 GLY H . . 5.290 3.609 3.476 3.769 . 0 0 "[ .]" 1
293 1 68 ALA HA 1 69 GLY H . . 4.480 3.546 3.515 3.565 . 0 0 "[ .]" 1
294 1 68 ALA MB 1 69 GLY H . . 5.680 2.622 2.434 2.806 . 0 0 "[ .]" 1
295 1 69 GLY HA3 1 73 ASN H . . 5.030 5.058 4.142 5.670 0.640 1 1 "[+ .]" 1
296 1 71 HIS H 1 72 PHE H . . 5.900 3.077 1.997 4.102 . 0 0 "[ .]" 1
297 1 71 HIS H 1 73 ASN H . . 6.270 4.615 3.964 5.256 . 0 0 "[ .]" 1
298 1 71 HIS HA 1 72 PHE H . . 4.000 3.075 2.168 3.570 . 0 0 "[ .]" 1
299 1 71 HIS HB2 1 72 PHE H . . 5.420 3.796 2.841 4.509 . 0 0 "[ .]" 1
300 1 72 PHE HA 1 73 ASN H . . 3.670 2.576 2.209 3.559 . 0 0 "[ .]" 1
301 1 72 PHE HB3 1 73 ASN H . . 4.060 3.817 2.924 4.449 0.389 5 0 "[ .]" 1
302 1 73 ASN H 1 76 SER QB . . 5.510 4.919 4.319 6.145 0.635 5 1 "[ +]" 1
303 1 75 LEU H 1 76 SER H . . 3.370 2.852 1.932 3.272 . 0 0 "[ .]" 1
304 1 75 LEU H 1 76 SER QB . . 4.260 4.730 3.580 5.144 0.884 4 4 "[ -*+*]" 1
305 1 75 LEU H 1 78 LYS H . . 4.020 4.691 4.552 4.930 0.910 1 5 [+-***] 1
306 1 75 LEU HA 1 76 SER H . . 6.000 3.269 3.047 3.462 . 0 0 "[ .]" 1
307 1 75 LEU MD1 1 76 SER H . . 4.850 4.538 4.206 4.839 . 0 0 "[ .]" 1
308 1 76 SER H 1 77 ARG H . . 3.590 3.689 2.356 4.182 0.592 4 2 "[ +-]" 1
309 1 76 SER H 1 77 ARG HA . . 4.030 5.433 4.708 5.882 1.852 4 5 [-**+*] 1
310 1 76 SER H 1 78 LYS HA . . 4.360 5.318 4.724 5.695 1.335 4 4 "[ -*+*]" 1
311 1 76 SER HA 1 78 LYS H . . 3.670 3.992 3.767 4.085 0.415 3 0 "[ .]" 1
312 1 77 ARG H 1 79 HIS H . . 3.700 4.711 4.308 5.147 1.447 4 5 [*-*+*] 1
313 1 77 ARG HA 1 78 LYS H . . 6.000 3.206 3.116 3.291 . 0 0 "[ .]" 1
314 1 77 ARG HB2 1 78 LYS H . . 4.420 4.126 3.666 4.480 0.060 2 0 "[ .]" 1
315 1 78 LYS H 1 79 HIS H . . 4.350 3.076 2.711 3.324 . 0 0 "[ .]" 1
316 1 78 LYS H 1 81 GLY H . . 7.580 6.023 5.357 7.128 . 0 0 "[ .]" 1
317 1 78 LYS HA 1 79 HIS H . . 3.040 3.111 2.522 3.508 0.468 2 0 "[ .]" 1
318 1 78 LYS HB2 1 79 HIS H . . 4.310 4.186 3.244 4.627 0.317 1 0 "[ .]" 1
319 1 78 LYS HB3 1 79 HIS H . . 4.810 3.877 2.966 4.564 . 0 0 "[ .]" 1
320 1 79 HIS H 1 80 GLY H . . 5.080 3.760 3.146 4.489 . 0 0 "[ .]" 1
321 1 79 HIS H 1 81 GLY H . . 4.150 4.744 4.155 5.419 1.269 3 2 "[ +-.]" 1
322 1 79 HIS HA 1 80 GLY H . . 3.130 2.518 2.153 3.595 0.465 1 0 "[ .]" 1
323 1 79 HIS HB2 1 80 GLY H . . 4.530 3.965 2.466 4.539 0.009 3 0 "[ .]" 1
324 1 79 HIS HB3 1 80 GLY H . . 4.580 3.751 3.110 4.491 . 0 0 "[ .]" 1
325 1 80 GLY H 1 81 GLY H . . 4.590 3.147 2.131 4.223 . 0 0 "[ .]" 1
326 1 80 GLY H 1 83 LYS H . . 3.400 4.463 4.039 4.951 1.551 5 5 [**-*+] 1
327 1 80 GLY QA 1 81 GLY H . . 6.000 2.574 2.304 2.962 . 0 0 "[ .]" 1
328 1 80 GLY QA 1 83 LYS H . . 4.230 4.126 3.240 4.733 0.503 5 1 "[ +]" 1
329 1 83 LYS H 1 84 ASP H . . 3.830 2.936 1.569 3.970 0.140 3 0 "[ .]" 1
330 1 83 LYS H 1 85 GLU H . . 3.520 3.500 2.909 4.154 0.634 2 1 "[ + .]" 1
331 1 83 LYS H 1 86 GLU H . . 4.170 4.148 3.027 5.608 1.438 2 1 "[ + .]" 1
332 1 83 LYS H 1 87 ARG H . . 5.620 4.829 3.917 5.486 . 0 0 "[ .]" 1
333 1 83 LYS HA 1 84 ASP H . . 3.150 3.195 2.178 3.526 0.376 5 0 "[ .]" 1
334 1 83 LYS HA 1 87 ARG H . . 4.130 4.181 3.613 4.593 0.463 4 0 "[ .]" 1
335 1 83 LYS HB3 1 84 ASP H . . 4.640 3.722 2.411 4.333 . 0 0 "[ .]" 1
336 1 84 ASP H 1 85 GLU H . . 5.070 2.791 2.524 3.161 . 0 0 "[ .]" 1
337 1 84 ASP H 1 86 GLU H . . 3.900 4.734 3.266 5.547 1.647 3 3 "[-*+ .]" 1
338 1 84 ASP H 1 88 HIS H . . 5.640 5.653 4.571 6.789 1.149 2 2 "[-+ .]" 1
339 1 84 ASP HA 1 87 ARG H . . 4.460 4.582 4.134 5.081 0.621 3 1 "[ + .]" 1
340 1 85 GLU HA 1 86 GLU H . . 6.000 3.529 3.448 3.596 . 0 0 "[ .]" 1
341 1 86 GLU H 1 89 VAL H . . 5.040 5.382 4.939 6.018 0.978 2 2 "[ +- .]" 1
342 1 86 GLU HB2 1 87 ARG H . . 4.300 3.301 2.223 4.118 . 0 0 "[ .]" 1
343 1 87 ARG H 1 88 HIS H . . 4.380 2.574 1.966 3.176 . 0 0 "[ .]" 1
344 1 87 ARG H 1 88 HIS HA . . 5.160 4.987 4.345 5.447 0.287 2 0 "[ .]" 1
345 1 87 ARG H 1 88 HIS HB2 . . 6.000 4.479 3.759 5.870 . 0 0 "[ .]" 1
346 1 87 ARG H 1 89 VAL H . . 4.720 4.392 3.983 4.959 0.239 3 0 "[ .]" 1
347 1 87 ARG H 1 91 ASP H . . 5.320 5.059 4.944 5.193 . 0 0 "[ .]" 1
348 1 87 ARG HA 1 88 HIS H . . 3.100 3.127 2.762 3.498 0.398 2 0 "[ .]" 1
349 1 87 ARG HB2 1 88 HIS H . . 4.110 3.712 2.663 4.212 0.102 1 0 "[ .]" 1
350 1 87 ARG HG3 1 88 HIS H . . 4.850 4.824 4.627 5.052 0.202 5 0 "[ .]" 1
351 1 88 HIS H 1 89 VAL H . . 4.160 2.197 1.686 2.417 . 0 0 "[ .]" 1
352 1 88 HIS H 1 92 LEU H . . 5.690 4.795 4.171 5.217 . 0 0 "[ .]" 1
353 1 88 HIS HB2 1 89 VAL H . . 3.970 3.638 3.027 3.985 0.015 2 0 "[ .]" 1
354 1 89 VAL H 1 90 GLY H . . 4.070 2.111 1.963 2.291 . 0 0 "[ .]" 1
355 1 89 VAL H 1 90 GLY QA . . 3.510 4.033 3.835 4.167 0.657 3 3 "[*-+ .]" 1
356 1 89 VAL H 1 91 ASP H . . 5.360 4.437 3.972 4.792 . 0 0 "[ .]" 1
357 1 89 VAL H 1 92 LEU H . . 4.270 4.513 4.165 4.778 0.508 3 1 "[ + .]" 1
358 1 89 VAL HA 1 90 GLY H . . 3.230 3.548 3.474 3.613 0.383 5 0 "[ .]" 1
359 1 89 VAL HB 1 90 GLY H . . 4.150 3.935 3.790 4.090 . 0 0 "[ .]" 1
360 1 89 VAL MG2 1 90 GLY H . . 3.770 2.675 2.499 2.875 . 0 0 "[ .]" 1
361 1 90 GLY H 1 91 ASP H . . 3.930 2.993 2.530 3.196 . 0 0 "[ .]" 1
362 1 90 GLY H 1 92 LEU H . . 5.530 3.914 3.682 4.165 . 0 0 "[ .]" 1
363 1 90 GLY H 1 94 ASN H . . 5.760 4.882 4.502 5.182 . 0 0 "[ .]" 1
364 1 90 GLY QA 1 91 ASP H . . 3.220 2.606 2.500 2.741 . 0 0 "[ .]" 1
365 1 90 GLY QA 1 94 ASN H . . 5.320 4.177 4.040 4.332 . 0 0 "[ .]" 1
366 1 91 ASP H 1 92 LEU HA . . 4.260 4.936 4.848 5.054 0.794 4 5 [-**+*] 1
367 1 91 ASP H 1 93 GLY H . . 4.840 4.354 3.893 4.672 . 0 0 "[ .]" 1
368 1 91 ASP H 1 94 ASN H . . 4.630 4.605 4.109 4.945 0.315 4 0 "[ .]" 1
369 1 91 ASP HA 1 95 VAL H . . 4.530 4.276 3.834 4.686 0.156 4 0 "[ .]" 1
370 1 91 ASP QB 1 94 ASN H . . 5.690 5.536 4.836 5.837 0.147 1 0 "[ .]" 1
371 1 92 LEU H 1 94 ASN H . . 5.600 3.724 3.510 4.049 . 0 0 "[ .]" 1
372 1 92 LEU H 1 95 VAL H . . 5.070 4.717 4.482 4.973 . 0 0 "[ .]" 1
373 1 92 LEU HA 1 93 GLY H . . 6.000 3.592 3.565 3.623 . 0 0 "[ .]" 1
374 1 92 LEU HA 1 95 VAL H . . 4.500 3.931 3.795 4.088 . 0 0 "[ .]" 1
375 1 93 GLY H 1 95 VAL H . . 4.800 4.355 4.243 4.442 . 0 0 "[ .]" 1
376 1 93 GLY H 1 96 THR H . . 5.060 5.228 5.038 5.426 0.366 4 0 "[ .]" 1
377 1 93 GLY H 1 97 ALA H . . 6.000 6.135 5.935 6.320 0.320 3 0 "[ .]" 1
378 1 93 GLY HA3 1 94 ASN H . . 3.300 2.886 2.761 3.173 . 0 0 "[ .]" 1
379 1 94 ASN H 1 95 VAL H . . 4.380 2.912 2.562 3.064 . 0 0 "[ .]" 1
380 1 94 ASN H 1 97 ALA H . . 4.825 4.771 4.713 4.852 0.027 3 0 "[ .]" 1
381 1 94 ASN HA 1 95 VAL H . . 4.830 3.584 3.556 3.624 . 0 0 "[ .]" 1
382 1 94 ASN HB2 1 95 VAL H . . 4.660 4.001 3.895 4.288 . 0 0 "[ .]" 1
383 1 94 ASN HB3 1 95 VAL H . . 4.640 2.934 2.703 3.159 . 0 0 "[ .]" 1
384 1 95 VAL H 1 97 ALA H . . 5.260 4.102 3.765 4.599 . 0 0 "[ .]" 1
385 1 95 VAL H 1 99 LYS H . . 5.410 6.184 6.022 6.498 1.088 2 5 [*+**-] 1
386 1 95 VAL HA 1 96 THR H . . 3.390 3.567 3.466 3.637 0.247 4 0 "[ .]" 1
387 1 95 VAL HB 1 96 THR H . . 4.220 3.140 2.510 4.208 . 0 0 "[ .]" 1
388 1 96 THR H 1 97 ALA H . . 4.000 2.462 2.253 2.648 . 0 0 "[ .]" 1
389 1 96 THR H 1 97 ALA HA . . 4.440 5.086 4.948 5.201 0.761 3 5 [-*+**] 1
390 1 96 THR H 1 99 LYS H . . 5.300 4.851 4.606 5.310 0.010 3 0 "[ .]" 1
391 1 96 THR HA 1 97 ALA H . . 3.160 3.525 3.392 3.640 0.480 2 0 "[ .]" 1
392 1 96 THR HA 1 98 ASP H . . 5.540 4.887 4.327 6.479 0.939 3 1 "[ + .]" 1
393 1 96 THR HA 1 99 LYS H . . 3.495 3.587 2.758 4.681 1.186 3 1 "[ + .]" 1
394 1 97 ALA H 1 98 ASP H . . 4.630 3.177 2.962 3.914 . 0 0 "[ .]" 1
395 1 97 ALA H 1 99 LYS H . . 4.670 4.045 3.792 4.248 . 0 0 "[ .]" 1
396 1 97 ALA H 1 101 GLY H . . 4.610 4.883 4.754 5.193 0.583 5 1 "[ +]" 1
397 1 97 ALA HA 1 98 ASP H . . 4.120 3.558 3.327 3.639 . 0 0 "[ .]" 1
398 1 97 ALA MB 1 98 ASP H . . 4.440 2.441 1.945 2.870 . 0 0 "[ .]" 1
399 1 98 ASP H 1 99 LYS HA . . 6.000 5.295 5.132 5.576 . 0 0 "[ .]" 1
400 1 98 ASP H 1 100 ASP H . . 5.060 4.334 3.918 4.729 . 0 0 "[ .]" 1
401 1 98 ASP HA 1 99 LYS H . . 4.180 3.408 3.207 3.523 . 0 0 "[ .]" 1
402 1 98 ASP HA 1 101 GLY H . . 4.100 4.399 3.905 4.673 0.573 2 2 "[-+ .]" 1
403 1 98 ASP HB3 1 99 LYS H . . 6.000 3.663 2.967 4.646 . 0 0 "[ .]" 1
404 1 99 LYS H 1 100 ASP H . . 3.510 2.338 1.944 2.603 . 0 0 "[ .]" 1
405 1 99 LYS H 1 100 ASP HB3 . . 3.890 4.282 4.066 4.413 0.523 3 1 "[ + .]" 1
406 1 99 LYS HA 1 100 ASP H . . 3.800 3.348 3.228 3.443 . 0 0 "[ .]" 1
407 1 99 LYS HA 1 101 GLY H . . 5.345 5.218 5.046 5.360 0.015 5 0 "[ .]" 1
408 1 100 ASP H 1 101 GLY H . . 3.520 2.022 1.824 2.175 . 0 0 "[ .]" 1
409 1 100 ASP H 1 101 GLY HA3 . . 3.875 4.406 4.226 4.632 0.757 5 2 "[ - +]" 1
410 1 100 ASP H 1 103 ALA H . . 4.915 5.350 5.190 5.529 0.614 5 2 "[ - +]" 1
411 1 100 ASP HB2 1 101 GLY H . . 4.580 4.098 3.818 4.318 . 0 0 "[ .]" 1
412 1 100 ASP HB3 1 101 GLY H . . 4.210 2.985 2.577 3.502 . 0 0 "[ .]" 1
413 1 100 ASP HB3 1 103 ALA H . . 5.280 4.222 3.678 5.010 . 0 0 "[ .]" 1
414 1 100 ASP HB3 1 104 ASP H . . 5.290 5.104 4.424 5.740 0.450 4 0 "[ .]" 1
415 1 101 GLY H 1 102 VAL H . . 3.580 2.694 2.532 2.819 . 0 0 "[ .]" 1
416 1 101 GLY H 1 102 VAL HA . . 4.650 5.126 4.843 5.307 0.657 3 3 "[* +-.]" 1
417 1 101 GLY H 1 102 VAL HB . . 5.580 5.521 4.922 6.090 0.510 5 1 "[ +]" 1
418 1 101 GLY H 1 102 VAL MG2 . . 4.450 4.439 4.313 4.616 0.166 3 0 "[ .]" 1
419 1 101 GLY H 1 103 ALA H . . 4.520 3.951 3.722 4.248 . 0 0 "[ .]" 1
420 1 101 GLY H 1 105 VAL H . . 4.960 5.447 5.191 5.845 0.885 5 1 "[ +]" 1
421 1 101 GLY HA3 1 102 VAL H . . 3.220 3.459 3.262 3.548 0.328 5 0 "[ .]" 1
422 1 101 GLY HA3 1 103 ALA H . . 5.260 4.630 3.658 5.390 0.130 1 0 "[ .]" 1
423 1 101 GLY HA3 1 104 ASP H . . 5.325 5.500 4.679 5.964 0.639 1 2 "[+ -.]" 1
424 1 102 VAL H 1 103 ALA H . . 3.540 2.447 2.021 2.821 . 0 0 "[ .]" 1
425 1 102 VAL H 1 103 ALA MB . . 4.760 4.198 3.640 4.605 . 0 0 "[ .]" 1
426 1 102 VAL H 1 104 ASP H . . 4.520 4.017 3.868 4.308 . 0 0 "[ .]" 1
427 1 102 VAL H 1 105 VAL H . . 5.500 4.434 4.088 4.854 . 0 0 "[ .]" 1
428 1 102 VAL HA 1 103 ALA H . . 6.000 3.336 2.891 3.611 . 0 0 "[ .]" 1
429 1 102 VAL HA 1 104 ASP H . . 5.500 4.309 3.775 4.698 . 0 0 "[ .]" 1
430 1 102 VAL HA 1 105 VAL H . . 3.460 3.784 3.519 3.935 0.475 4 0 "[ .]" 1
431 1 102 VAL HB 1 103 ALA H . . 6.000 3.477 2.794 4.279 . 0 0 "[ .]" 1
432 1 102 VAL HB 1 104 ASP H . . 5.570 5.700 5.382 6.125 0.555 2 1 "[ + .]" 1
433 1 102 VAL MG2 1 103 ALA H . . 6.000 4.142 3.859 4.349 . 0 0 "[ .]" 1
434 1 103 ALA H 1 104 ASP H . . 4.260 2.542 2.143 3.037 . 0 0 "[ .]" 1
435 1 103 ALA H 1 104 ASP HB3 . . 6.000 5.374 4.946 6.084 0.084 3 0 "[ .]" 1
436 1 103 ALA H 1 105 VAL H . . 4.680 4.120 3.606 4.512 . 0 0 "[ .]" 1
437 1 103 ALA H 1 105 VAL HB . . 5.565 5.129 4.594 5.617 0.052 3 0 "[ .]" 1
438 1 103 ALA HA 1 104 ASP H . . 3.260 3.565 3.503 3.607 0.347 3 0 "[ .]" 1
439 1 103 ALA HA 1 105 VAL H . . 4.550 5.140 4.926 5.282 0.732 4 4 "[** +-]" 1
440 1 103 ALA MB 1 104 ASP H . . 3.530 2.622 2.330 2.813 . 0 0 "[ .]" 1
441 1 104 ASP H 1 105 VAL H . . 3.660 2.487 2.205 2.943 . 0 0 "[ .]" 1
442 1 104 ASP H 1 105 VAL HA . . 4.490 5.136 4.941 5.509 1.019 3 3 "[- +*.]" 1
443 1 104 ASP H 1 106 SER H . . 4.400 3.834 3.544 4.231 . 0 0 "[ .]" 1
444 1 104 ASP HA 1 105 VAL H . . 6.000 3.604 3.573 3.632 . 0 0 "[ .]" 1
445 1 104 ASP HA 1 106 SER H . . 5.600 4.399 4.278 4.582 . 0 0 "[ .]" 1
446 1 104 ASP HA 1 107 ILE H . . 3.540 3.676 3.582 3.826 0.286 5 0 "[ .]" 1
447 1 104 ASP HB3 1 105 VAL H . . 3.690 2.761 2.386 3.487 . 0 0 "[ .]" 1
448 1 105 VAL H 1 106 SER H . . 3.830 2.826 2.658 3.075 . 0 0 "[ .]" 1
449 1 105 VAL H 1 106 SER HA . . 4.850 5.458 5.327 5.640 0.790 4 4 [*-*+.] 1
450 1 105 VAL H 1 108 GLU H . . 5.020 4.639 4.562 4.740 . 0 0 "[ .]" 1
451 1 105 VAL H 1 109 ASP H . . 5.165 5.497 5.445 5.555 0.390 1 0 "[ .]" 1
452 1 105 VAL HA 1 106 SER H . . 3.240 3.564 3.518 3.604 0.364 3 0 "[ .]" 1
453 1 105 VAL HB 1 106 SER H . . 3.860 2.959 2.891 3.056 . 0 0 "[ .]" 1
454 1 105 VAL HB 1 107 ILE H . . 5.310 5.159 5.051 5.256 . 0 0 "[ .]" 1
455 1 105 VAL HB 1 109 ASP H . . 5.390 5.144 4.971 5.307 . 0 0 "[ .]" 1
456 1 105 VAL MG1 1 106 SER H . . 3.640 3.716 3.534 3.939 0.299 1 0 "[ .]" 1
457 1 106 SER H 1 107 ILE H . . 4.820 2.728 2.708 2.747 . 0 0 "[ .]" 1
458 1 106 SER H 1 108 GLU H . . 4.610 4.235 4.130 4.296 . 0 0 "[ .]" 1
459 1 106 SER HA 1 107 ILE H . . 6.000 3.536 3.455 3.582 . 0 0 "[ .]" 1
460 1 106 SER HB2 1 107 ILE H . . 6.000 3.983 3.331 4.219 . 0 0 "[ .]" 1
461 1 107 ILE H 1 109 ASP H . . 5.150 4.132 3.952 4.240 . 0 0 "[ .]" 1
462 1 107 ILE H 1 110 SER H . . 5.400 4.526 4.321 4.651 . 0 0 "[ .]" 1
463 1 107 ILE H 1 111 VAL H . . 5.600 5.629 5.525 5.821 0.221 1 0 "[ .]" 1
464 1 108 GLU H 1 109 ASP H . . 3.840 2.958 2.842 3.027 . 0 0 "[ .]" 1
465 1 108 GLU H 1 110 SER H . . 5.040 4.110 3.931 4.224 . 0 0 "[ .]" 1
466 1 108 GLU H 1 111 VAL H . . 5.300 4.631 4.566 4.674 . 0 0 "[ .]" 1
467 1 109 ASP H 1 110 SER H . . 3.900 2.698 2.582 2.853 . 0 0 "[ .]" 1
468 1 109 ASP H 1 110 SER HB3 . . 4.650 5.052 4.690 5.482 0.832 5 2 "[ -+]" 1
469 1 109 ASP HA 1 110 SER H . . 4.800 3.552 3.521 3.610 . 0 0 "[ .]" 1
470 1 109 ASP HB3 1 110 SER H . . 3.920 2.968 2.650 3.809 . 0 0 "[ .]" 1
471 1 110 SER H 1 111 VAL HA . . 4.970 5.340 4.958 5.542 0.572 3 1 "[ + .]" 1
472 1 110 SER H 1 112 ILE H . . 4.460 4.342 4.177 4.663 0.203 1 0 "[ .]" 1
473 1 110 SER H 1 114 LEU H . . 5.500 5.841 5.753 6.018 0.518 1 1 "[+ .]" 1
474 1 110 SER HB2 1 111 VAL H . . 4.160 3.999 3.854 4.427 0.267 1 0 "[ .]" 1
475 1 111 VAL H 1 114 LEU H . . 4.490 4.747 4.665 4.799 0.309 4 0 "[ .]" 1
476 1 111 VAL HA 1 112 ILE H . . 4.230 3.565 3.509 3.603 . 0 0 "[ .]" 1
477 1 112 ILE H 1 114 LEU H . . 4.630 4.298 4.135 4.489 . 0 0 "[ .]" 1
478 1 113 SER H 1 114 LEU H . . 3.500 2.682 2.338 2.914 . 0 0 "[ .]" 1
479 1 113 SER HA 1 114 LEU H . . 3.900 3.609 3.571 3.647 . 0 0 "[ .]" 1
480 1 113 SER HB3 1 114 LEU H . . 4.500 2.795 2.434 3.681 . 0 0 "[ .]" 1
481 1 114 LEU H 1 115 SER H . . 3.900 2.804 2.759 2.952 . 0 0 "[ .]" 1
482 1 114 LEU HA 1 116 GLY H . . 4.760 3.839 3.197 4.283 . 0 0 "[ .]" 1
483 1 115 SER H 1 116 GLY H . . 4.110 2.703 2.488 2.932 . 0 0 "[ .]" 1
484 1 115 SER H 1 117 ASP H . . 4.295 4.420 4.081 4.637 0.342 4 0 "[ .]" 1
485 1 115 SER HA 1 117 ASP H . . 4.250 4.097 3.235 4.780 0.530 5 1 "[ +]" 1
486 1 115 SER HA 1 118 HIS H . . 4.050 3.566 3.108 3.966 . 0 0 "[ .]" 1
487 1 115 SER HB3 1 118 HIS H . . 5.330 5.512 5.054 5.929 0.599 5 1 "[ +]" 1
488 1 116 GLY H 1 117 ASP H . . 4.290 2.733 2.466 2.954 . 0 0 "[ .]" 1
489 1 117 ASP H 1 118 HIS H . . 3.610 2.688 2.238 2.998 . 0 0 "[ .]" 1
490 1 117 ASP H 1 118 HIS HA . . 5.750 5.287 4.902 5.571 . 0 0 "[ .]" 1
491 1 117 ASP H 1 119 CYS H . . 4.130 4.013 3.785 4.267 0.137 2 0 "[ .]" 1
492 1 117 ASP H 1 120 ILE H . . 4.450 4.717 4.604 4.890 0.440 2 0 "[ .]" 1
493 1 117 ASP H 1 121 ILE H . . 5.670 5.799 5.424 6.155 0.485 2 0 "[ .]" 1
494 1 117 ASP HB3 1 118 HIS H . . 4.270 3.199 2.462 4.174 . 0 0 "[ .]" 1
495 1 118 HIS H 1 120 ILE H . . 4.930 4.232 4.028 4.396 . 0 0 "[ .]" 1
496 1 118 HIS H 1 121 ILE H . . 4.600 5.005 4.904 5.132 0.532 3 1 "[ + .]" 1
497 1 118 HIS H 1 121 ILE MD . . 5.080 4.913 4.652 5.394 0.314 5 0 "[ .]" 1
498 1 118 HIS HA 1 119 CYS H . . 4.240 3.560 3.480 3.627 . 0 0 "[ .]" 1
499 1 118 HIS HA 1 120 ILE H . . 5.360 4.250 3.760 4.573 . 0 0 "[ .]" 1
500 1 118 HIS HA 1 121 ILE H . . 3.970 4.025 3.574 4.459 0.489 5 0 "[ .]" 1
501 1 118 HIS HB2 1 119 CYS H . . 4.420 3.534 3.109 4.016 . 0 0 "[ .]" 1
502 1 118 HIS HB3 1 119 CYS H . . 4.600 3.212 2.823 3.850 . 0 0 "[ .]" 1
503 1 119 CYS H 1 120 ILE H . . 4.690 2.640 2.304 2.815 . 0 0 "[ .]" 1
504 1 119 CYS H 1 121 ILE H . . 4.970 4.545 4.315 4.898 . 0 0 "[ .]" 1
505 1 119 CYS HA 1 120 ILE H . . 4.040 3.530 3.351 3.639 . 0 0 "[ .]" 1
506 1 119 CYS HB3 1 120 ILE H . . 4.450 3.281 2.920 3.716 . 0 0 "[ .]" 1
507 1 120 ILE H 1 121 ILE H . . 4.420 2.587 2.408 2.680 . 0 0 "[ .]" 1
508 1 120 ILE H 1 121 ILE HA . . 5.740 5.201 5.008 5.343 . 0 0 "[ .]" 1
509 1 120 ILE H 1 123 ARG H . . 4.490 4.189 3.560 4.530 0.040 2 0 "[ .]" 1
510 1 121 ILE H 1 122 GLY H . . 4.100 2.625 2.380 2.784 . 0 0 "[ .]" 1
511 1 121 ILE H 1 122 GLY HA3 . . 5.360 4.878 4.660 5.030 . 0 0 "[ .]" 1
512 1 121 ILE H 1 124 THR H . . 5.400 5.217 4.885 5.674 0.274 2 0 "[ .]" 1
513 1 121 ILE HA 1 124 THR H . . 5.120 3.700 3.436 4.137 . 0 0 "[ .]" 1
514 1 122 GLY H 1 123 ARG H . . 4.210 2.816 2.731 2.864 . 0 0 "[ .]" 1
515 1 122 GLY H 1 123 ARG HA . . 5.680 5.423 5.357 5.503 . 0 0 "[ .]" 1
516 1 122 GLY H 1 125 LEU H . . 5.340 5.101 4.880 5.222 . 0 0 "[ .]" 1
517 1 122 GLY H 1 126 VAL H . . 5.450 5.322 5.073 5.693 0.243 4 0 "[ .]" 1
518 1 122 GLY HA2 1 123 ARG H . . 4.140 3.601 3.559 3.667 . 0 0 "[ .]" 1
519 1 122 GLY HA2 1 125 LEU H . . 4.860 3.264 2.983 3.648 . 0 0 "[ .]" 1
520 1 122 GLY HA3 1 123 ARG H . . 3.910 2.972 2.818 3.060 . 0 0 "[ .]" 1
521 1 123 ARG H 1 124 THR H . . 3.970 2.838 2.686 2.920 . 0 0 "[ .]" 1
522 1 123 ARG H 1 125 LEU H . . 4.525 4.541 4.254 4.776 0.251 3 0 "[ .]" 1
523 1 123 ARG H 1 127 VAL H . . 4.330 4.956 4.806 5.098 0.768 5 4 "[- **+]" 1
524 1 123 ARG HA 1 124 THR H . . 4.300 3.433 3.335 3.557 . 0 0 "[ .]" 1
525 1 123 ARG HB2 1 124 THR H . . 3.970 3.564 3.092 4.178 0.208 1 0 "[ .]" 1
526 1 124 THR H 1 126 VAL H . . 4.600 4.088 3.781 4.469 . 0 0 "[ .]" 1
527 1 124 THR HB 1 125 LEU H . . 3.680 2.705 2.349 3.050 . 0 0 "[ .]" 1
528 1 124 THR HB 1 126 VAL H . . 5.650 5.098 4.850 5.319 . 0 0 "[ .]" 1
529 1 125 LEU H 1 126 VAL H . . 5.360 2.422 2.294 2.647 . 0 0 "[ .]" 1
530 1 125 LEU H 1 126 VAL HA . . 5.640 5.142 4.984 5.340 . 0 0 "[ .]" 1
531 1 125 LEU H 1 126 VAL HB . . 5.800 4.693 4.458 4.904 . 0 0 "[ .]" 1
532 1 125 LEU H 1 127 VAL H . . 5.600 3.695 3.435 4.033 . 0 0 "[ .]" 1
533 1 125 LEU H 1 127 VAL HB . . 5.960 5.265 4.512 5.814 . 0 0 "[ .]" 1
534 1 125 LEU H 1 128 HIS H . . 4.680 4.502 4.132 4.857 0.177 1 0 "[ .]" 1
535 1 125 LEU HB3 1 126 VAL H . . 3.800 4.019 3.472 4.174 0.374 3 0 "[ .]" 1
536 1 125 LEU HG 1 126 VAL H . . 4.430 2.841 2.069 4.809 0.379 1 0 "[ .]" 1
537 1 126 VAL H 1 127 VAL H . . 4.120 2.484 2.311 2.717 . 0 0 "[ .]" 1
538 1 126 VAL HA 1 127 VAL H . . 3.210 3.545 3.514 3.593 0.383 2 0 "[ .]" 1
539 1 126 VAL HA 1 128 HIS H . . 4.600 3.996 3.794 4.367 . 0 0 "[ .]" 1
540 1 126 VAL HB 1 127 VAL H . . 3.340 2.797 2.590 2.992 . 0 0 "[ .]" 1
541 1 126 VAL HB 1 128 HIS H . . 5.430 4.988 4.825 5.250 . 0 0 "[ .]" 1
542 1 127 VAL H 1 131 ALA H . . 5.805 6.017 5.794 6.288 0.483 3 0 "[ .]" 1
543 1 127 VAL HA 1 128 HIS H . . 3.080 3.287 3.073 3.578 0.498 5 0 "[ .]" 1
544 1 128 HIS H 1 129 GLU H . . 3.430 2.897 2.823 3.020 . 0 0 "[ .]" 1
545 1 128 HIS HA 1 129 GLU H . . 5.260 3.591 3.502 3.650 . 0 0 "[ .]" 1
546 1 128 HIS HA 1 132 ASP H . . 4.410 2.720 2.391 3.087 . 0 0 "[ .]" 1
547 1 128 HIS HB3 1 132 ASP H . . 5.395 4.914 4.665 5.236 . 0 0 "[ .]" 1
548 1 129 GLU H 1 131 ALA H . . 4.610 4.387 4.057 4.565 . 0 0 "[ .]" 1
549 1 129 GLU H 1 132 ASP H . . 5.460 4.849 4.797 4.909 . 0 0 "[ .]" 1
550 1 129 GLU H 1 132 ASP HB2 . . 5.460 5.889 5.727 6.311 0.851 3 1 "[ + .]" 1
551 1 129 GLU H 1 132 ASP HB3 . . 5.900 5.709 5.349 6.364 0.464 1 0 "[ .]" 1
552 1 130 LYS HB3 1 131 ALA H . . 4.130 3.552 3.328 3.847 . 0 0 "[ .]" 1
553 1 131 ALA H 1 132 ASP H . . 3.910 2.053 1.923 2.411 . 0 0 "[ .]" 1
554 1 131 ALA H 1 134 LEU H . . 4.130 4.939 4.778 5.281 1.151 2 5 [*+-**] 1
555 1 131 ALA H 1 135 GLY H . . 5.360 4.459 3.718 6.273 0.913 1 1 "[+ .]" 1
556 1 131 ALA HA 1 132 ASP H . . 4.600 3.553 3.516 3.593 . 0 0 "[ .]" 1
557 1 131 ALA MB 1 132 ASP H . . 3.750 2.770 2.411 3.092 . 0 0 "[ .]" 1
558 1 132 ASP H 1 133 ASP HA . . 5.050 4.962 4.759 5.207 0.157 2 0 "[ .]" 1
559 1 132 ASP H 1 133 ASP QB . . 3.630 4.101 3.690 4.333 0.703 3 3 "[ *+-.]" 1
560 1 132 ASP H 1 134 LEU H . . 5.030 4.900 4.034 5.314 0.284 2 0 "[ .]" 1
561 1 132 ASP H 1 134 LEU QB . . 5.940 6.261 5.151 7.010 1.070 2 3 "[ +* -]" 1
562 1 132 ASP H 1 135 GLY H . . 5.290 4.368 4.011 4.709 . 0 0 "[ .]" 1
563 1 133 ASP HA 1 134 LEU H . . 3.780 3.573 3.554 3.579 . 0 0 "[ .]" 1
564 1 133 ASP QB 1 134 LEU H . . 4.460 2.068 1.971 2.324 . 0 0 "[ .]" 1
565 1 134 LEU H 1 135 GLY H . . 4.000 2.807 2.735 2.865 . 0 0 "[ .]" 1
566 1 134 LEU H 1 136 LYS H . . 4.690 4.767 4.165 5.342 0.652 5 1 "[ +]" 1
567 1 134 LEU H 1 137 GLY H . . 3.910 4.925 4.145 5.265 1.355 3 4 "[ -+**]" 1
568 1 134 LEU H 1 138 GLY H . . 5.300 4.951 4.555 5.520 0.220 1 0 "[ .]" 1
569 1 134 LEU HA 1 135 GLY H . . 3.410 3.455 3.339 3.515 0.105 2 0 "[ .]" 1
570 1 134 LEU HA 1 136 LYS H . . 4.740 4.074 3.566 4.464 . 0 0 "[ .]" 1
571 1 134 LEU QB 1 135 GLY H . . 4.410 3.496 2.957 3.695 . 0 0 "[ .]" 1
572 1 134 LEU MD1 1 135 GLY H . . 5.100 4.018 3.240 4.640 . 0 0 "[ .]" 1
573 1 134 LEU HG 1 135 GLY H . . 4.350 3.269 2.439 4.587 0.237 1 0 "[ .]" 1
574 1 135 GLY HA3 1 136 LYS H . . 3.810 3.226 2.859 3.525 . 0 0 "[ .]" 1
575 1 136 LYS H 1 137 GLY H . . 4.080 2.266 1.752 2.929 . 0 0 "[ .]" 1
576 1 136 LYS H 1 139 ASN H . . 4.940 5.088 4.740 5.528 0.588 5 1 "[ +]" 1
577 1 136 LYS HA 1 137 GLY H . . 3.370 3.488 3.436 3.561 0.191 3 0 "[ .]" 1
578 1 136 LYS HA 1 139 ASN H . . 3.345 3.959 3.631 4.400 1.055 5 2 "[ -+]" 1
579 1 136 LYS HB2 1 137 GLY H . . 4.740 3.803 3.602 4.116 . 0 0 "[ .]" 1
580 1 136 LYS HB3 1 137 GLY H . . 4.470 3.219 2.948 3.459 . 0 0 "[ .]" 1
581 1 136 LYS HB3 1 139 ASN H . . 5.430 5.401 5.110 5.554 0.124 5 0 "[ .]" 1
582 1 136 LYS QG 1 139 ASN H . . 4.440 4.786 4.559 4.965 0.525 3 2 "[- + .]" 1
583 1 137 GLY H 1 138 GLY H . . 4.040 3.072 2.940 3.290 . 0 0 "[ .]" 1
584 1 137 GLY H 1 138 GLY QA . . 3.985 4.900 4.789 5.021 1.036 5 5 [***-+] 1
585 1 137 GLY H 1 139 ASN H . . 4.140 4.319 4.116 4.477 0.337 5 0 "[ .]" 1
586 1 137 GLY HA2 1 139 ASN H . . 4.070 4.073 3.765 4.451 0.381 1 0 "[ .]" 1
587 1 138 GLY H 1 139 ASN H . . 3.590 2.734 2.110 3.016 . 0 0 "[ .]" 1
588 1 138 GLY H 1 140 GLU H . . 3.960 4.640 3.793 5.398 1.438 4 3 "[ *-+.]" 1
589 1 138 GLY QA 1 139 ASN H . . 6.000 2.960 2.917 3.010 . 0 0 "[ .]" 1
590 1 139 ASN H 1 140 GLU H . . 3.520 2.424 2.001 3.039 . 0 0 "[ .]" 1
591 1 139 ASN H 1 141 GLU H . . 3.620 3.714 3.205 4.641 1.021 5 1 "[ +]" 1
592 1 139 ASN H 1 142 SER H . . 5.160 4.777 3.891 5.942 0.782 4 1 "[ +.]" 1
593 1 139 ASN HB3 1 140 GLU H . . 4.560 3.818 2.315 4.586 0.026 5 0 "[ .]" 1
594 1 140 GLU H 1 142 SER H . . 6.000 4.181 2.897 5.513 . 0 0 "[ .]" 1
595 1 140 GLU HA 1 141 GLU H . . 4.620 3.324 2.757 3.621 . 0 0 "[ .]" 1
596 1 140 GLU QB 1 142 SER H . . 4.710 4.709 4.110 5.388 0.678 2 1 "[ + .]" 1
597 1 141 GLU H 1 142 SER H . . 4.870 2.545 2.039 2.779 . 0 0 "[ .]" 1
598 1 141 GLU H 1 144 LYS H . . 5.250 4.877 4.265 5.389 0.139 3 0 "[ .]" 1
599 1 141 GLU H 1 144 LYS QB . . 5.510 5.040 3.861 6.197 0.687 4 1 "[ +.]" 1
600 1 141 GLU H 1 144 LYS QG . . 5.310 5.714 5.122 6.270 0.960 1 2 "[+ -.]" 1
601 1 141 GLU HG3 1 142 SER H . . 5.180 4.288 1.815 5.114 . 0 0 "[ .]" 1
602 1 142 SER H 1 144 LYS HA . . 6.000 5.709 4.568 6.716 0.716 3 1 "[ + .]" 1
603 1 142 SER H 1 145 THR HA . . 3.860 5.350 4.692 5.901 2.041 3 5 [**+*-] 1
604 1 142 SER H 1 146 GLY H . . 6.000 5.942 3.172 7.289 1.289 3 3 "[- +*.]" 1
605 1 142 SER HA 1 144 LYS H . . 5.590 4.722 3.610 5.702 0.112 4 0 "[ .]" 1
606 1 143 THR H 1 144 LYS H . . 3.970 2.835 2.215 3.424 . 0 0 "[ .]" 1
607 1 143 THR H 1 146 GLY H . . 4.440 5.184 2.723 6.341 1.901 4 4 [*-*+.] 1
608 1 144 LYS H 1 145 THR HB . . 3.860 4.835 4.440 5.162 1.302 3 5 [*-+**] 1
609 1 144 LYS H 1 145 THR HG1 . . 4.510 5.172 4.192 6.045 1.535 4 3 "[ * +-]" 1
610 1 144 LYS H 1 148 ALA MB . . 6.000 4.537 3.669 6.836 0.836 2 1 "[ + .]" 1
611 1 144 LYS HA 1 145 THR H . . 5.560 3.349 2.942 3.505 . 0 0 "[ .]" 1
612 1 145 THR HA 1 146 GLY H . . 3.250 3.490 3.331 3.618 0.368 2 0 "[ .]" 1
613 1 145 THR HA 1 147 ASN H . . 5.120 4.735 4.070 5.285 0.165 2 0 "[ .]" 1
614 1 145 THR HB 1 146 GLY H . . 4.170 3.365 2.575 4.028 . 0 0 "[ .]" 1
615 1 145 THR HG1 1 146 GLY H . . 4.400 4.919 4.627 5.096 0.696 4 3 "[ - +*]" 1
616 1 146 GLY H 1 147 ASN HA . . 6.440 5.603 5.159 6.076 . 0 0 "[ .]" 1
617 1 146 GLY H 1 148 ALA H . . 3.900 4.198 3.827 4.595 0.695 4 2 "[ - +.]" 1
618 1 146 GLY H 1 148 ALA HA . . 6.000 6.765 6.219 7.165 1.165 4 3 "[-* +.]" 1
619 1 147 ASN H 1 148 ALA H . . 3.920 2.801 2.119 3.469 . 0 0 "[ .]" 1
620 1 147 ASN H 1 148 ALA HA . . 6.000 5.269 4.651 5.790 . 0 0 "[ .]" 1
621 1 147 ASN H 1 148 ALA MB . . 4.710 4.376 3.785 4.888 0.178 4 0 "[ .]" 1
622 1 147 ASN H 1 149 GLY H . . 5.210 4.536 3.450 5.173 . 0 0 "[ .]" 1
623 1 147 ASN HA 1 148 ALA H . . 3.310 3.481 3.388 3.532 0.222 1 0 "[ .]" 1
624 1 147 ASN HA 1 149 GLY H . . 5.410 3.935 3.674 4.199 . 0 0 "[ .]" 1
625 1 147 ASN HA 1 150 SER H . . 3.520 3.743 3.461 4.066 0.546 4 2 "[- +.]" 1
626 1 147 ASN HA 1 151 ARG H . . 4.500 4.627 4.260 4.895 0.395 4 0 "[ .]" 1
627 1 147 ASN QB 1 148 ALA H . . 3.940 3.370 2.918 3.619 . 0 0 "[ .]" 1
628 1 147 ASN QB 1 149 GLY H . . 5.480 4.998 4.509 5.377 . 0 0 "[ .]" 1
629 1 147 ASN QB 1 150 SER H . . 5.490 5.414 5.185 5.656 0.166 4 0 "[ .]" 1
630 1 148 ALA HA 1 149 GLY H . . 3.740 3.426 3.187 3.596 . 0 0 "[ .]" 1
631 1 148 ALA MB 1 149 GLY H . . 3.760 2.883 2.363 3.394 . 0 0 "[ .]" 1
632 1 149 GLY H 1 150 SER H . . 3.420 2.060 1.905 2.255 . 0 0 "[ .]" 1
633 1 149 GLY H 1 150 SER QB . . 3.525 3.848 3.564 4.152 0.627 2 2 "[ +- .]" 1
634 1 149 GLY H 1 151 ARG HA . . 5.300 5.808 5.192 6.497 1.197 3 3 "[ *+ -]" 1
635 1 149 GLY HA3 1 151 ARG H . . 4.180 4.425 4.354 4.503 0.323 3 0 "[ .]" 1
636 1 150 SER H 1 151 ARG H . . 3.500 3.456 3.417 3.557 0.057 1 0 "[ .]" 1
637 1 150 SER H 1 151 ARG HB2 . . 5.370 5.411 5.205 5.498 0.128 3 0 "[ .]" 1
638 1 150 SER H 1 152 LEU H . . 4.845 5.328 5.251 5.397 0.552 2 1 "[ + .]" 1
639 1 150 SER H 1 153 ALA MB . . 5.650 6.086 6.015 6.172 0.522 2 1 "[ + .]" 1
640 1 150 SER HA 1 151 ARG H . . 3.380 2.718 2.665 2.775 . 0 0 "[ .]" 1
641 1 150 SER QB 1 151 ARG H . . 6.000 4.004 3.930 4.031 . 0 0 "[ .]" 1
642 1 150 SER QB 1 152 LEU H . . 5.820 4.544 4.449 4.627 . 0 0 "[ .]" 1
643 1 151 ARG H 1 152 LEU H . . 3.600 2.757 2.635 2.867 . 0 0 "[ .]" 1
644 1 151 ARG H 1 152 LEU HA . . 4.780 5.365 5.259 5.451 0.671 3 4 "[ *+-*]" 1
645 1 151 ARG H 1 153 ALA H . . 5.170 4.792 4.678 4.895 . 0 0 "[ .]" 1
646 1 151 ARG H 1 154 CYS H . . 4.190 5.049 4.971 5.219 1.029 4 5 [**-+*] 1
647 1 151 ARG H 1 155 GLY HA3 . . 4.510 4.938 4.900 4.966 0.456 4 0 "[ .]" 1
648 1 151 ARG HA 1 152 LEU H . . 6.000 3.338 3.246 3.387 . 0 0 "[ .]" 1
649 1 151 ARG HB2 1 152 LEU H . . 3.540 3.660 3.479 3.819 0.279 4 0 "[ .]" 1
650 1 152 LEU H 1 153 ALA H . . 3.940 2.525 2.389 2.649 . 0 0 "[ .]" 1
651 1 152 LEU H 1 153 ALA HA . . 4.740 5.146 5.014 5.214 0.474 2 0 "[ .]" 1
652 1 152 LEU H 1 153 ALA MB . . 4.100 4.310 4.214 4.375 0.275 2 0 "[ .]" 1
653 1 152 LEU H 1 154 CYS H . . 4.410 3.874 3.678 3.954 . 0 0 "[ .]" 1
654 1 152 LEU H 1 155 GLY H . . 4.310 3.756 3.612 3.910 . 0 0 "[ .]" 1
655 1 152 LEU HA 1 154 CYS H . . 4.380 5.166 4.937 5.499 1.119 4 5 [**-+*] 1
656 1 153 ALA H 1 155 GLY H . . 3.700 3.577 3.378 3.918 0.218 2 0 "[ .]" 1
657 1 153 ALA HA 1 154 CYS H . . 4.700 3.595 3.546 3.639 . 0 0 "[ .]" 1
658 1 153 ALA HA 1 155 GLY H . . 3.900 4.384 4.067 4.795 0.895 2 2 "[ + -]" 1
659 1 153 ALA MB 1 154 CYS H . . 3.570 2.679 2.435 2.843 . 0 0 "[ .]" 1
660 1 154 CYS H 1 155 GLY H . . 3.930 2.291 2.109 2.522 . 0 0 "[ .]" 1
661 1 154 CYS H 1 155 GLY HA3 . . 4.590 4.578 4.423 4.766 0.176 4 0 "[ .]" 1
662 1 154 CYS HA 1 155 GLY H . . 3.950 3.460 3.350 3.546 . 0 0 "[ .]" 1
663 1 154 CYS HB3 1 155 GLY H . . 3.870 3.254 2.739 4.152 0.282 1 0 "[ .]" 1
664 1 157 ILE H 1 158 GLY H . . 3.600 2.240 2.106 2.415 . 0 0 "[ .]" 1
665 1 157 ILE H 1 158 GLY QA . . 3.830 4.078 3.958 4.221 0.391 1 0 "[ .]" 1
666 1 157 ILE H 1 159 ILE H . . 3.820 4.244 4.038 4.424 0.604 2 1 "[ + .]" 1
667 1 157 ILE HA 1 158 GLY H . . 3.400 3.290 3.201 3.361 . 0 0 "[ .]" 1
668 1 157 ILE HB 1 158 GLY H . . 3.930 4.239 4.198 4.300 0.370 5 0 "[ .]" 1
669 1 157 ILE MD 1 158 GLY H . . 3.980 3.065 2.471 3.898 . 0 0 "[ .]" 1
670 1 157 ILE HG12 1 158 GLY H . . 4.690 4.359 3.156 5.283 0.593 1 1 "[+ .]" 1
671 1 157 ILE HG13 1 158 GLY H . . 4.650 4.511 4.169 4.779 0.129 4 0 "[ .]" 1
672 1 158 GLY H 1 159 ILE H . . 3.800 2.832 2.482 3.292 . 0 0 "[ .]" 1
673 1 158 GLY H 1 160 ALA H . . 4.430 4.541 4.122 5.093 0.663 4 2 "[- +.]" 1
674 1 158 GLY QA 1 159 ILE H . . 3.720 2.885 2.799 2.985 . 0 0 "[ .]" 1
675 1 159 ILE H 1 160 ALA H . . 3.830 3.006 2.798 3.310 . 0 0 "[ .]" 1
676 1 159 ILE H 1 161 GLN H . . 5.400 4.475 4.339 4.665 . 0 0 "[ .]" 1
677 1 159 ILE HA 1 160 ALA H . . 3.490 3.392 3.321 3.478 . 0 0 "[ .]" 1
678 1 159 ILE HA 1 161 GLN H . . 4.520 3.465 3.361 3.647 . 0 0 "[ .]" 1
679 1 159 ILE HB 1 160 ALA H . . 4.060 3.989 3.600 4.268 0.208 1 0 "[ .]" 1
680 1 159 ILE MD 1 160 ALA H . . 3.960 3.978 3.001 4.640 0.680 3 2 "[ + -]" 1
681 1 160 ALA H 1 161 GLN H . . 3.660 2.527 2.402 2.634 . 0 0 "[ .]" 1
682 1 160 ALA HA 1 161 GLN H . . 3.810 3.407 3.316 3.463 . 0 0 "[ .]" 1
683 1 160 ALA MB 1 161 GLN H . . 3.830 3.165 3.060 3.364 . 0 0 "[ .]" 1
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