NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474733 |
2kvm   |
16778 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvm
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 1077
_Distance_constraint_stats_list.Viol_count 10580
_Distance_constraint_stats_list.Viol_total 116924.492
_Distance_constraint_stats_list.Viol_max 3.260
_Distance_constraint_stats_list.Viol_rms 0.3958
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2714
_Distance_constraint_stats_list.Viol_average_violations_only 0.5526
_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 4 MET 37.901 1.067 7 20 [******+********-****]
1 5 GLU 97.102 2.207 8 20 [*****-*+************]
1 6 LEU 32.007 1.056 12 19 "[*******-***+* ******]"
1 7 SER 72.536 2.207 8 20 [******-+************]
1 8 ALA 31.829 1.201 5 20 [****+**********-****]
1 9 ILE 105.986 1.634 17 20 [***********-****+***]
1 10 GLY 65.803 3.260 3 20 [**+********-********]
1 11 GLU 208.555 2.263 16 20 [***************+-***]
1 12 GLN 194.282 3.260 3 20 [**+-****************]
1 13 VAL 109.043 2.263 16 20 [-**************+****]
1 14 PHE 88.947 1.721 5 20 [****+*-*************]
1 15 ALA 1.056 0.145 19 0 "[ . 1 . 2]"
1 16 VAL 53.808 1.426 18 20 [************-****+**]
1 17 GLU 25.971 1.208 12 20 [***********+-*******]
1 18 SER 88.445 1.401 7 20 [******+***-*********]
1 19 ILE 210.438 1.718 12 20 [****-******+********]
1 20 ARG 118.650 1.515 20 20 [****************-**+]
1 21 LYS 354.299 1.397 11 20 [***-******+*********]
1 22 LYS 248.033 1.234 20 20 [*****-*************+]
1 23 ARG 329.763 2.080 4 20 [***+*******-********]
1 24 VAL 282.674 2.080 4 20 [***+**-*************]
1 25 ARG 184.093 1.212 13 20 [****-*******+*******]
1 26 LYS 182.828 1.166 17 20 [*******-********+***]
1 27 GLY 127.429 1.379 6 20 [*****+*-************]
1 28 LYS 254.652 1.444 4 20 [***+***********-****]
1 29 VAL 266.759 1.444 4 20 [***+*-**************]
1 30 GLU 323.008 1.404 5 20 [****+**********-****]
1 31 TYR 411.077 1.355 17 20 [**********-*****+***]
1 32 LEU 181.137 1.010 13 20 [**-*********+*******]
1 33 VAL 7.042 0.884 10 4 "[ . + * *-]"
1 34 LYS 84.092 1.515 20 20 [**********-********+]
1 35 TRP 130.447 1.590 11 20 [******-***+*********]
1 36 LYS 57.864 1.256 10 20 [*********+**-*******]
1 37 GLY 3.466 0.846 14 2 "[ - 1 +. 2]"
1 38 TRP 143.111 1.721 5 20 [****+***************]
1 39 PRO 124.461 1.876 20 20 [****************-**+]
1 41 LYS 114.881 1.876 20 20 [****************-**+]
1 42 TYR 123.153 1.381 18 20 [*****************+**]
1 43 SER 100.213 1.091 18 20 [*****************+**]
1 44 THR 102.993 1.149 15 20 [*****-********+*****]
1 45 TRP 321.310 1.713 19 20 [**-***************+*]
1 46 GLU 73.815 1.404 5 20 [****+***************]
1 47 PRO 104.111 1.307 20 20 [******-************+]
1 48 GLU 171.137 1.594 16 20 [-**************+****]
1 49 GLU 56.222 1.594 16 20 [***-***********+****]
1 50 HIS 90.792 2.209 15 20 [****-*********+*****]
1 51 ILE 170.798 1.426 18 20 [**************-**+**]
1 52 LEU 143.846 1.370 20 20 [*******-***********+]
1 53 ASP 27.709 0.836 15 20 [**************+-****]
1 54 PRO 64.243 1.014 16 20 [*********-*****+****]
1 55 ARG 137.698 1.370 15 20 [****-*********+*****]
1 56 LEU 194.118 1.718 12 20 [***********+*******-]
1 57 VAL 244.435 1.608 20 20 [***********-*******+]
1 58 MET 207.222 1.370 15 20 [******-*******+*****]
1 59 ALA 194.472 1.556 20 20 [************-******+]
1 60 TYR 257.462 1.608 20 20 [*******-***********+]
1 61 GLU 202.790 1.460 9 20 [******-*+***********]
1 62 GLU 191.830 1.083 17 20 [*******-********+***]
1 63 LYS 254.891 1.877 20 20 [*****************-*+]
1 64 GLU 236.826 1.482 6 20 [*****+******-*******]
1 65 GLU 277.302 1.850 17 20 [**-*************+***]
1 66 ARG 92.219 1.158 9 20 [******-*+***********]
1 67 ASP 327.694 1.877 20 20 [*************-*****+]
1 68 ARG 278.246 1.800 5 20 [-***+***************]
1 69 ALA 65.924 1.691 3 20 [**+-****************]
1 70 SER 63.772 1.601 3 19 "[**+***-*** *********]"
1 71 GLY 37.707 1.477 11 20 [******-***+*********]
1 72 TYR 35.428 0.927 7 16 "[** **-+***** **** *]"
1 73 ARG 69.359 1.477 11 20 [**********+**-******]
1 74 LYS 34.888 0.717 19 14 "[**-** * *** *** * +2]"
2 9 LYS 34.559 1.079 14 16 "[* **-* ******+*** *2]"
2 11 ALA 31.290 1.543 19 20 [******-***********+*]
2 12 ARG 21.595 1.257 15 17 "[******* *-****+** *2]"
2 14 SER 20.929 1.370 17 17 "[********-* ** * +***]"
2 15 ALA 19.892 1.213 15 17 "[*******- *** +*****]"
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 4 MET H 1 4 MET QB 0.000 . 3.430 2.476 2.268 3.346 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET HA 1 4 MET QB 0.000 . 2.450 2.493 2.450 2.532 0.082 1 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 5 GLU H 0.000 . 2.740 3.095 2.425 3.562 0.822 1 11 "[+ *.***** .-***2]" 1
4 1 4 MET QB 1 5 GLU H 0.000 . 2.370 2.102 1.782 2.289 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET QB 1 5 GLU HA 0.000 . 2.950 3.954 3.877 4.017 1.067 7 20 [******+-************] 1
6 1 4 MET QB 1 5 GLU QG 0.000 . 1.780 2.183 2.066 2.225 0.445 6 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 5 GLU HA 0.000 . 2.390 2.631 2.255 2.941 0.551 17 11 "[* *.-**** .*+**2]" 1
8 1 5 GLU H 1 5 GLU QB 0.000 . 3.010 2.986 2.558 3.402 0.392 12 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU QG 0.000 . 3.370 2.428 1.945 2.670 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU HA 1 5 GLU QB 0.000 . 2.420 2.291 2.146 2.323 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU HA 1 5 GLU QG 0.000 . 2.560 2.646 2.521 3.296 0.736 16 2 "[ . - 1 .+ 2]" 1
12 1 5 GLU HA 1 6 LEU H 0.000 . 2.660 2.775 2.156 3.567 0.907 11 6 "[ *. ** *+ . - 2]" 1
13 1 5 GLU QB 1 5 GLU QG 0.000 . 1.970 2.069 1.998 2.088 0.118 10 0 "[ . 1 . 2]" 1
14 1 5 GLU QB 1 6 LEU H 0.000 . 3.580 3.276 1.896 3.879 0.299 17 0 "[ . 1 . 2]" 1
15 1 5 GLU QG 1 6 LEU H 0.000 . 3.590 4.230 3.247 4.646 1.056 12 15 "[*** ** -*1 +* ******]" 1
16 1 5 GLU QG 1 7 SER H 0.000 . 4.810 6.101 4.734 7.017 2.207 8 18 "[****** + **********-]" 1
17 1 6 LEU H 1 6 LEU HA 0.000 . 2.450 2.702 2.271 2.946 0.496 2 0 "[ . 1 . 2]" 1
18 1 6 LEU H 1 6 LEU QB 0.000 . 2.570 2.780 2.278 3.262 0.692 17 3 "[ . 1 * +- 2]" 1
19 1 6 LEU HA 1 6 LEU MD1 0.000 . 4.260 3.054 1.913 4.114 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 7 SER HA 0.000 . 2.600 2.823 2.266 2.945 0.345 15 0 "[ . 1 . 2]" 1
21 1 7 SER H 1 7 SER QB 0.000 . 2.710 3.029 2.372 3.338 0.628 5 11 "[* * +*- *1* * .* **2]" 1
22 1 7 SER H 1 9 ILE QG 0.000 . 3.420 3.595 2.464 4.690 1.270 6 9 "[ ****+ * 1 .- * *]" 1
23 1 7 SER H 1 9 ILE MG 0.000 . 4.360 5.382 4.913 5.994 1.634 17 20 [**********-*****+***] 1
24 1 7 SER HA 1 7 SER QB 0.000 . 2.070 2.255 2.170 2.429 0.359 20 0 "[ . 1 . 2]" 1
25 1 7 SER QB 1 8 ALA H 0.000 . 3.440 2.977 1.871 3.880 0.440 1 0 "[ . 1 . 2]" 1
26 1 8 ALA H 1 8 ALA HA 0.000 . 2.760 2.793 2.267 2.947 0.187 7 0 "[ . 1 . 2]" 1
27 1 8 ALA H 1 8 ALA MB 0.000 . 2.870 2.480 2.227 2.956 0.086 19 0 "[ . 1 . 2]" 1
28 1 8 ALA H 1 9 ILE H 0.000 . 2.950 2.691 1.871 4.151 1.201 5 3 "[- + 1 . * 2]" 1
29 1 8 ALA HA 1 9 ILE H 0.000 . 2.580 3.348 2.171 3.543 0.963 6 18 "[****.+*-********* **]" 1
30 1 8 ALA MB 1 9 ILE H 0.000 . 2.290 2.601 1.709 2.878 0.588 5 11 "[ * *+ * *** *.- **2]" 1
31 1 9 ILE H 1 9 ILE HA 0.000 . 2.610 2.664 2.270 2.944 0.334 5 0 "[ . 1 . 2]" 1
32 1 9 ILE H 1 9 ILE HB 0.000 . 2.740 2.957 2.490 3.619 0.879 15 8 "[* - * *1 * + ** 2]" 1
33 1 9 ILE H 1 9 ILE MD 0.000 . 3.420 3.674 3.012 4.247 0.827 13 6 "[* . * *1 + * - 2]" 1
34 1 9 ILE H 1 9 ILE QG 0.000 . 2.520 2.167 1.842 2.604 0.084 13 0 "[ . 1 . 2]" 1
35 1 9 ILE H 1 9 ILE MG 0.000 . 3.660 3.835 3.757 4.021 0.361 13 0 "[ . 1 . 2]" 1
36 1 9 ILE H 1 10 GLY H 0.000 . 3.190 3.684 2.461 4.504 1.314 14 9 "[** . **** +.* - 2]" 1
37 1 9 ILE HA 1 10 GLY H 0.000 . 3.070 2.806 2.128 3.578 0.508 19 2 "[ . 1 - . +2]" 1
38 1 9 ILE HB 1 10 GLY H 0.000 . 5.110 3.247 1.813 4.455 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE QG 1 10 GLY H 0.000 . 6.210 4.047 2.680 4.638 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE QG 1 10 GLY QA 0.000 . 5.990 5.265 4.453 5.487 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE MG 1 10 GLY H 0.000 . 5.650 2.982 2.340 3.768 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE MG 1 11 GLU H 0.000 . 3.950 2.719 1.897 4.172 0.222 19 0 "[ . 1 . 2]" 1
43 1 9 ILE MG 1 11 GLU HA 0.000 . 2.820 3.551 2.854 3.782 0.962 3 18 "[**+******* ***.*-***]" 1
44 1 10 GLY H 1 12 GLN QE 0.000 . 5.800 8.070 6.558 9.060 3.260 3 20 [**+***************-*] 1
45 1 10 GLY QA 1 11 GLU H 0.000 . 2.340 2.536 2.151 2.873 0.533 11 3 "[ . 1+ . -* 2]" 1
46 1 10 GLY QA 1 11 GLU QB 0.000 . 4.470 4.078 3.719 4.597 0.127 10 0 "[ . 1 . 2]" 1
47 1 11 GLU H 1 11 GLU HA 0.000 . 2.710 2.505 2.265 2.939 0.229 6 0 "[ . 1 . 2]" 1
48 1 11 GLU H 1 11 GLU QB 0.000 . 2.950 3.090 2.497 3.392 0.442 2 0 "[ . 1 . 2]" 1
49 1 11 GLU H 1 11 GLU QG 0.000 . 2.680 2.542 1.531 3.374 0.694 1 1 "[+ . 1 . 2]" 1
50 1 11 GLU H 1 12 GLN H 0.000 . 3.410 4.499 4.279 4.612 1.202 2 20 [*+-*****************] 1
51 1 11 GLU HA 1 11 GLU QB 0.000 . 2.430 2.341 2.205 2.449 0.019 5 0 "[ . 1 . 2]" 1
52 1 11 GLU HA 1 11 GLU QG 0.000 . 2.420 2.511 2.302 2.795 0.375 19 0 "[ . 1 . 2]" 1
53 1 11 GLU HA 1 12 GLN H 0.000 . 3.780 2.495 2.137 2.796 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLU HA 1 12 GLN QB 0.000 . 3.230 4.307 4.136 4.475 1.245 19 20 [-*****************+*] 1
55 1 11 GLU HA 1 12 GLN QE 0.000 . 5.520 5.704 4.539 6.507 0.987 8 7 "[- **. + 1* *. * 2]" 1
56 1 11 GLU HA 1 12 GLN QG 0.000 . 2.930 3.409 3.094 3.741 0.811 1 9 "[+ * ** * - * *. *2]" 1
57 1 11 GLU HA 1 13 VAL QG 0.000 . 3.870 4.675 3.830 6.133 2.263 16 17 "[ ***********-*.+** *]" 1
58 1 11 GLU HA 1 50 HIS HD2 0.000 . 4.050 6.013 5.602 6.259 2.209 15 20 [******-*******+*****] 1
59 1 11 GLU HA 2 14 SER HA 0.000 . 3.050 4.065 2.502 4.420 1.370 17 17 "[********-* ** * +***]" 1
60 1 11 GLU HA 2 15 ALA HA 0.000 . 3.010 4.005 3.182 4.223 1.213 15 17 "[*******- *** +*****]" 1
61 1 11 GLU QB 1 11 GLU QG 0.000 . 2.100 2.083 2.072 2.088 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLU QB 1 12 GLN H 0.000 . 3.860 2.277 1.877 3.132 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLU QB 1 12 GLN HA 0.000 . 2.940 3.807 3.738 3.921 0.981 19 20 [**********-*******+*] 1
64 1 11 GLU QG 1 12 GLN H 0.000 . 3.550 3.851 3.379 4.479 0.929 19 3 "[ . 1 - *. +2]" 1
65 1 12 GLN H 1 12 GLN QG 0.000 . 4.230 2.690 2.375 3.388 . 0 0 "[ . 1 . 2]" 1
66 1 12 GLN H 1 13 VAL HB 0.000 . 3.560 4.683 4.135 5.364 1.804 16 20 [**************-+****] 1
67 1 12 GLN HA 1 12 GLN QB 0.000 . 2.290 2.198 2.150 2.425 0.135 5 0 "[ . 1 . 2]" 1
68 1 12 GLN HA 1 12 GLN QE 0.000 . 4.990 4.870 1.724 5.526 0.536 6 7 "[ * .+* 1 *-* *]" 1
69 1 12 GLN HA 1 12 GLN QG 0.000 . 2.800 3.249 2.374 3.368 0.568 9 18 "[ **-.***+***********]" 1
70 1 12 GLN HA 1 13 VAL H 0.000 . 3.380 3.365 2.180 3.590 0.210 14 0 "[ . 1 . 2]" 1
71 1 12 GLN HA 1 13 VAL HB 0.000 . 3.810 4.688 4.433 5.689 1.879 19 20 [************-*****+*] 1
72 1 12 GLN QB 1 12 GLN QE 0.000 . 4.030 2.972 1.616 3.667 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLN QB 1 12 GLN QG 0.000 . 1.940 2.060 1.976 2.086 0.146 11 0 "[ . 1 . 2]" 1
74 1 12 GLN QE 1 12 GLN QG 0.000 . 3.090 2.286 2.129 2.726 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLN QE 1 13 VAL QG 0.000 . 4.870 5.016 4.067 5.808 0.938 17 7 "[- .* 1*** . + *]" 1
76 1 13 VAL H 1 13 VAL HB 0.000 . 3.810 3.501 2.687 3.823 0.013 19 0 "[ . 1 . 2]" 1
77 1 13 VAL H 1 13 VAL QG 0.000 . 3.830 2.583 1.759 3.108 . 0 0 "[ . 1 . 2]" 1
78 1 13 VAL HA 1 13 VAL HB 0.000 . 2.350 2.988 2.504 3.019 0.669 14 19 "[*************+*-** *]" 1
79 1 13 VAL HA 1 13 VAL QG 0.000 . 2.690 2.104 2.033 2.221 . 0 0 "[ . 1 . 2]" 1
80 1 13 VAL HB 1 14 PHE HA 0.000 . 3.210 4.539 4.335 4.596 1.386 7 20 [******+***********-*] 1
81 1 13 VAL MG1 1 13 VAL MG2 0.000 . 2.390 2.073 1.925 2.101 . 0 0 "[ . 1 . 2]" 1
82 1 13 VAL QG 1 52 LEU QD 0.000 . 2.540 1.668 1.541 2.751 0.211 19 0 "[ . 1 . 2]" 1
83 1 13 VAL QG 2 12 ARG HA 0.000 . 2.760 2.881 1.680 3.454 0.694 16 2 "[ . 1 -.+ 2]" 1
84 1 14 PHE H 1 15 ALA H 0.000 . 6.150 3.916 3.191 4.336 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE H 2 11 ALA H 0.000 . 3.440 3.550 2.845 4.983 1.543 19 3 "[ *. - 1 . +2]" 1
86 1 14 PHE HA 1 15 ALA MB 0.000 . 4.700 4.063 3.960 4.151 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE HA 1 35 TRP HZ3 0.000 . 3.470 4.960 4.696 5.060 1.590 11 20 [**********+***-*****] 1
88 1 14 PHE QB 1 35 TRP HZ3 0.000 . 2.570 2.644 2.046 2.861 0.291 15 0 "[ . 1 . 2]" 1
89 1 14 PHE QD 1 15 ALA MB 0.000 . 5.010 4.421 2.451 5.136 0.126 19 0 "[ . 1 . 2]" 1
90 1 14 PHE QE 1 38 TRP HZ2 0.000 . 3.870 5.111 4.597 5.591 1.721 5 20 [****+*************-*] 1
91 1 15 ALA H 1 35 TRP HZ3 0.000 . 6.060 3.378 2.208 4.210 . 0 0 "[ . 1 . 2]" 1
92 1 15 ALA HA 1 15 ALA MB 0.000 . 2.080 2.119 2.106 2.132 0.052 20 0 "[ . 1 . 2]" 1
93 1 15 ALA HA 1 16 VAL H 0.000 . 3.060 2.170 2.147 2.201 . 0 0 "[ . 1 . 2]" 1
94 1 15 ALA MB 1 16 VAL H 0.000 . 3.780 3.300 3.081 3.485 . 0 0 "[ . 1 . 2]" 1
95 1 15 ALA MB 1 36 LYS QB 0.000 . 2.900 2.707 2.169 3.045 0.145 19 0 "[ . 1 . 2]" 1
96 1 16 VAL H 1 36 LYS QB 0.000 . 3.800 4.739 4.353 5.056 1.256 10 20 [*********+**-*******] 1
97 1 16 VAL H 1 56 LEU QD 0.000 . 3.860 3.544 3.334 3.679 . 0 0 "[ . 1 . 2]" 1
98 1 16 VAL HA 1 16 VAL QG 0.000 . 2.810 2.044 1.977 2.125 . 0 0 "[ . 1 . 2]" 1
99 1 16 VAL HA 1 35 TRP HE3 0.000 . 3.480 2.639 2.466 2.869 . 0 0 "[ . 1 . 2]" 1
100 1 16 VAL HB 1 16 VAL QG 0.000 . 2.300 1.870 1.865 1.876 . 0 0 "[ . 1 . 2]" 1
101 1 16 VAL HB 1 18 SER H 0.000 . 3.830 4.057 3.733 4.434 0.604 18 5 "[ . * 1**- . + 2]" 1
102 1 16 VAL HB 1 56 LEU QD 0.000 . 2.410 1.979 1.829 2.156 . 0 0 "[ . 1 . 2]" 1
103 1 16 VAL MG1 1 16 VAL MG2 0.000 . 1.860 1.952 1.786 2.028 0.168 3 0 "[ . 1 . 2]" 1
104 1 16 VAL QG 1 18 SER H 0.000 . 4.000 2.012 1.786 2.381 . 0 0 "[ . 1 . 2]" 1
105 1 16 VAL QG 1 18 SER HA 0.000 . 3.440 2.552 2.014 3.046 . 0 0 "[ . 1 . 2]" 1
106 1 16 VAL QG 1 18 SER QB 0.000 . 4.860 3.946 3.555 4.266 . 0 0 "[ . 1 . 2]" 1
107 1 16 VAL QG 1 19 ILE H 0.000 . 3.880 3.518 2.911 4.139 0.259 19 0 "[ . 1 . 2]" 1
108 1 16 VAL QG 1 19 ILE HA 0.000 . 3.330 3.490 3.176 3.720 0.390 2 0 "[ . 1 . 2]" 1
109 1 16 VAL QG 1 19 ILE MD 0.000 . 4.330 4.361 3.322 4.752 0.422 2 0 "[ . 1 . 2]" 1
110 1 16 VAL QG 1 33 VAL HB 0.000 . 3.010 1.904 1.653 3.412 0.402 17 0 "[ . 1 . 2]" 1
111 1 16 VAL QG 1 33 VAL QG 0.000 . 2.620 2.041 1.491 2.374 . 0 0 "[ . 1 . 2]" 1
112 1 16 VAL QG 1 35 TRP HA 0.000 . 3.380 3.029 2.656 3.453 0.073 16 0 "[ . 1 . 2]" 1
113 1 16 VAL QG 1 35 TRP HE3 0.000 . 3.400 2.850 2.511 3.205 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL QG 1 35 TRP HH2 0.000 . 3.450 3.167 2.756 3.339 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL QG 1 51 ILE HA 0.000 . 3.500 4.564 4.389 4.926 1.426 18 20 [***************-*+**] 1
116 1 16 VAL QG 1 56 LEU QD 0.000 . 2.510 1.837 1.692 2.106 . 0 0 "[ . 1 . 2]" 1
117 1 17 GLU H 1 18 SER H 0.000 . 2.960 2.541 2.342 2.663 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLU QB 1 18 SER H 0.000 . 2.430 2.419 2.271 2.548 0.118 13 0 "[ . 1 . 2]" 1
119 1 17 GLU QB 1 34 LYS H 0.000 . 3.160 4.317 4.185 4.368 1.208 12 20 [***********+*****-**] 1
120 1 17 GLU QB 1 36 LYS HA 0.000 . 2.950 2.315 1.680 3.685 0.735 5 3 "[ + 1 -*. 2]" 1
121 1 18 SER H 1 18 SER HA 0.000 . 2.790 2.697 2.672 2.734 . 0 0 "[ . 1 . 2]" 1
122 1 18 SER H 1 18 SER QB 0.000 . 2.960 3.272 3.078 3.499 0.539 17 8 "[ **. * *-** . + 2]" 1
123 1 18 SER H 1 19 ILE H 0.000 . 4.890 4.209 4.068 4.360 . 0 0 "[ . 1 . 2]" 1
124 1 18 SER H 1 34 LYS H 0.000 . 3.510 3.254 3.002 3.423 . 0 0 "[ . 1 . 2]" 1
125 1 18 SER H 1 34 LYS HB2 0.000 . 5.790 4.502 2.881 4.857 . 0 0 "[ . 1 . 2]" 1
126 1 18 SER HA 1 19 ILE H 0.000 . 2.540 2.353 2.227 2.674 0.134 6 0 "[ . 1 . 2]" 1
127 1 18 SER HA 1 56 LEU HA 0.000 . 3.050 4.227 3.971 4.344 1.294 18 20 [*****************+-*] 1
128 1 18 SER HA 1 56 LEU QB 0.000 . 4.550 4.066 3.788 4.263 . 0 0 "[ . 1 . 2]" 1
129 1 18 SER HA 1 56 LEU QD 0.000 . 2.690 1.933 1.852 1.981 . 0 0 "[ . 1 . 2]" 1
130 1 18 SER HA 1 56 LEU HG 0.000 . 3.250 4.518 4.380 4.591 1.341 7 20 [******+*******-*****] 1
131 1 18 SER QB 1 19 ILE H 0.000 . 3.020 2.816 1.888 3.448 0.428 16 0 "[ . 1 . 2]" 1
132 1 18 SER QB 1 34 LYS H 0.000 . 3.720 4.922 4.619 5.121 1.401 7 20 [*****-+*************] 1
133 1 18 SER QB 1 56 LEU QD 0.000 . 3.170 3.205 2.940 3.444 0.274 8 0 "[ . 1 . 2]" 1
134 1 19 ILE H 1 19 ILE HA 0.000 . 2.950 2.811 2.748 2.921 . 0 0 "[ . 1 . 2]" 1
135 1 19 ILE H 1 19 ILE HB 0.000 . 3.400 2.619 2.390 2.735 . 0 0 "[ . 1 . 2]" 1
136 1 19 ILE H 1 19 ILE MD 0.000 . 3.400 3.531 2.295 3.839 0.439 19 0 "[ . 1 . 2]" 1
137 1 19 ILE H 1 19 ILE QG 0.000 . 3.030 2.079 1.851 2.858 . 0 0 "[ . 1 . 2]" 1
138 1 19 ILE H 1 19 ILE MG 0.000 . 3.410 3.761 3.699 3.826 0.416 6 0 "[ . 1 . 2]" 1
139 1 19 ILE HA 1 19 ILE HB 0.000 . 2.580 3.016 3.004 3.030 0.450 13 0 "[ . 1 . 2]" 1
140 1 19 ILE HA 1 19 ILE MD 0.000 . 3.340 3.801 3.544 3.836 0.496 14 0 "[ . 1 . 2]" 1
141 1 19 ILE HA 1 19 ILE QG 0.000 . 2.250 2.431 2.200 2.507 0.257 10 0 "[ . 1 . 2]" 1
142 1 19 ILE HA 1 19 ILE MG 0.000 . 2.760 2.377 2.293 2.546 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE HA 1 20 ARG H 0.000 . 2.760 2.306 2.153 2.406 . 0 0 "[ . 1 . 2]" 1
144 1 19 ILE HA 1 21 LYS H 0.000 . 3.500 4.194 4.126 4.270 0.770 15 20 [**************+***-*] 1
145 1 19 ILE HB 1 19 ILE MD 0.000 . 2.820 2.471 2.068 2.566 . 0 0 "[ . 1 . 2]" 1
146 1 19 ILE HB 1 19 ILE QG 0.000 . 2.510 2.358 2.311 2.528 0.018 12 0 "[ . 1 . 2]" 1
147 1 19 ILE HB 1 19 ILE MG 0.000 . 2.250 2.126 2.113 2.132 . 0 0 "[ . 1 . 2]" 1
148 1 19 ILE HB 1 31 TYR QD 0.000 . 4.850 4.466 4.265 4.563 . 0 0 "[ . 1 . 2]" 1
149 1 19 ILE HB 1 56 LEU QD 0.000 . 3.540 4.351 3.946 4.531 0.991 10 19 "[******-* +**********]" 1
150 1 19 ILE HB 1 57 VAL HA 0.000 . 5.140 4.631 4.158 4.865 . 0 0 "[ . 1 . 2]" 1
151 1 19 ILE HB 1 60 TYR HA 0.000 . 4.360 3.691 3.464 4.148 . 0 0 "[ . 1 . 2]" 1
152 1 19 ILE HB 1 60 TYR QB 0.000 . 2.510 2.214 1.965 2.341 . 0 0 "[ . 1 . 2]" 1
153 1 19 ILE HB 1 60 TYR QD 0.000 . 2.800 2.120 1.815 2.888 0.088 9 0 "[ . 1 . 2]" 1
154 1 19 ILE MD 1 19 ILE QG 0.000 . 2.050 1.871 1.834 1.882 . 0 0 "[ . 1 . 2]" 1
155 1 19 ILE MD 1 19 ILE MG 0.000 . 2.540 1.822 1.711 2.880 0.340 12 0 "[ . 1 . 2]" 1
156 1 19 ILE MD 1 31 TYR QB 0.000 . 3.260 2.505 2.156 3.226 . 0 0 "[ . 1 . 2]" 1
157 1 19 ILE MD 1 31 TYR QD 0.000 . 3.120 2.692 2.485 3.667 0.547 12 1 "[ . 1 + . 2]" 1
158 1 19 ILE MD 1 31 TYR QE 0.000 . 3.690 3.408 3.181 4.175 0.485 12 0 "[ . 1 . 2]" 1
159 1 19 ILE MD 1 51 ILE MD 0.000 . 2.930 2.801 1.844 3.362 0.432 10 0 "[ . 1 . 2]" 1
160 1 19 ILE MD 1 51 ILE QG 0.000 . 3.110 3.358 2.424 3.885 0.775 17 6 "[* - * 1 * + *]" 1
161 1 19 ILE MD 1 51 ILE MG 0.000 . 2.500 2.820 2.400 3.110 0.610 20 4 "[* - * . +]" 1
162 1 19 ILE MD 1 56 LEU HA 0.000 . 3.430 3.828 3.292 4.061 0.631 7 3 "[ *. + 1 . -]" 1
163 1 19 ILE MD 1 56 LEU QB 0.000 . 2.300 2.411 1.587 2.649 0.349 20 0 "[ . 1 . 2]" 1
164 1 19 ILE MD 1 56 LEU QD 0.000 . 3.180 3.365 2.454 3.480 0.300 11 0 "[ . 1 . 2]" 1
165 1 19 ILE MD 1 56 LEU HG 0.000 . 5.480 4.990 4.154 5.207 . 0 0 "[ . 1 . 2]" 1
166 1 19 ILE MD 1 57 VAL HA 0.000 . 2.460 1.983 1.814 2.230 . 0 0 "[ . 1 . 2]" 1
167 1 19 ILE MD 1 57 VAL HB 0.000 . 4.690 4.165 4.093 4.280 . 0 0 "[ . 1 . 2]" 1
168 1 19 ILE MD 1 57 VAL QG 0.000 . 2.150 2.399 2.233 2.522 0.372 12 0 "[ . 1 . 2]" 1
169 1 19 ILE MD 1 60 TYR QB 0.000 . 3.050 2.022 1.688 2.757 . 0 0 "[ . 1 . 2]" 1
170 1 19 ILE MD 1 60 TYR QD 0.000 . 3.520 3.382 3.214 3.961 0.441 12 0 "[ . 1 . 2]" 1
171 1 19 ILE QG 1 19 ILE MG 0.000 . 2.630 2.311 2.056 2.384 . 0 0 "[ . 1 . 2]" 1
172 1 19 ILE QG 1 20 ARG H 0.000 . 3.400 3.955 3.686 4.082 0.682 17 15 "[*** ** * ** ****+* -]" 1
173 1 19 ILE QG 1 21 LYS H 0.000 . 4.930 5.200 4.734 5.449 0.519 17 1 "[ . 1 . + 2]" 1
174 1 19 ILE QG 1 31 TYR HA 0.000 . 4.050 5.034 4.029 5.405 1.355 17 15 "[*** ** * ** ****+* -]" 1
175 1 19 ILE QG 1 31 TYR QB 0.000 . 3.060 2.688 1.706 3.110 0.050 17 0 "[ . 1 . 2]" 1
176 1 19 ILE QG 1 31 TYR QD 0.000 . 3.620 4.059 3.180 4.333 0.713 17 14 "[*-* ** * ** ****+* 2]" 1
177 1 19 ILE QG 1 56 LEU HA 0.000 . 5.300 3.691 3.233 5.282 . 0 0 "[ . 1 . 2]" 1
178 1 19 ILE QG 1 56 LEU HG 0.000 . 4.030 4.695 4.391 5.748 1.718 12 16 "[ ****-*****+ *. ****]" 1
179 1 19 ILE MG 1 20 ARG H 0.000 . 2.960 1.925 1.698 2.395 . 0 0 "[ . 1 . 2]" 1
180 1 19 ILE MG 1 20 ARG HA 0.000 . 3.790 3.611 3.466 3.708 . 0 0 "[ . 1 . 2]" 1
181 1 19 ILE MG 1 21 LYS H 0.000 . 3.860 2.402 2.314 2.524 . 0 0 "[ . 1 . 2]" 1
182 1 19 ILE MG 1 22 LYS H 0.000 . 5.350 4.693 4.581 4.779 . 0 0 "[ . 1 . 2]" 1
183 1 19 ILE MG 1 31 TYR HA 0.000 . 2.950 3.092 2.942 3.185 0.235 6 0 "[ . 1 . 2]" 1
184 1 19 ILE MG 1 31 TYR QB 0.000 . 2.900 1.940 1.732 2.097 . 0 0 "[ . 1 . 2]" 1
185 1 19 ILE MG 1 31 TYR QD 0.000 . 2.280 2.092 1.937 2.196 . 0 0 "[ . 1 . 2]" 1
186 1 19 ILE MG 1 31 TYR QE 0.000 . 2.830 3.628 3.411 3.683 0.853 14 20 [*************+****-*] 1
187 1 19 ILE MG 1 32 LEU H 0.000 . 3.750 3.186 3.063 3.280 . 0 0 "[ . 1 . 2]" 1
188 1 19 ILE MG 1 57 VAL HA 0.000 . 4.970 4.240 4.131 4.338 . 0 0 "[ . 1 . 2]" 1
189 1 19 ILE MG 1 60 TYR HA 0.000 . 3.510 4.501 4.294 4.614 1.104 18 20 [******-**********+**] 1
190 1 19 ILE MG 1 60 TYR QB 0.000 . 2.900 2.905 2.771 2.964 0.064 20 0 "[ . 1 . 2]" 1
191 1 19 ILE MG 1 60 TYR QD 0.000 . 2.830 2.414 2.195 2.544 . 0 0 "[ . 1 . 2]" 1
192 1 19 ILE MG 1 60 TYR QE 0.000 . 2.830 2.703 2.616 2.814 . 0 0 "[ . 1 . 2]" 1
193 1 20 ARG H 1 20 ARG HA 0.000 . 3.030 2.942 2.920 2.947 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG H 1 20 ARG QB 0.000 . 3.000 2.388 2.238 2.509 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG H 1 20 ARG QD 0.000 . 5.490 4.557 4.284 4.720 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG H 1 20 ARG QG 0.000 . 3.400 3.761 3.502 4.050 0.650 20 5 "[ * .- 1 . ** +]" 1
197 1 20 ARG H 1 21 LYS H 0.000 . 3.020 2.017 1.868 2.260 . 0 0 "[ . 1 . 2]" 1
198 1 20 ARG H 1 32 LEU H 0.000 . 4.050 3.979 3.707 4.129 0.079 9 0 "[ . 1 . 2]" 1
199 1 20 ARG H 1 32 LEU HA 0.000 . 5.020 4.726 4.631 4.816 . 0 0 "[ . 1 . 2]" 1
200 1 20 ARG HA 1 20 ARG QB 0.000 . 2.180 2.521 2.504 2.533 0.353 11 0 "[ . 1 . 2]" 1
201 1 20 ARG HA 1 20 ARG QD 0.000 . 3.070 3.890 3.865 3.909 0.839 20 20 [****-**************+] 1
202 1 20 ARG HA 1 20 ARG QG 0.000 . 2.270 2.197 2.174 2.216 . 0 0 "[ . 1 . 2]" 1
203 1 20 ARG HA 1 21 LYS H 0.000 . 3.320 3.542 3.525 3.553 0.233 1 0 "[ . 1 . 2]" 1
204 1 20 ARG HA 1 60 TYR QD 0.000 . 4.960 4.117 3.961 4.280 . 0 0 "[ . 1 . 2]" 1
205 1 20 ARG HA 1 60 TYR QE 0.000 . 3.700 3.598 3.421 3.812 0.112 19 0 "[ . 1 . 2]" 1
206 1 20 ARG QB 1 20 ARG QD 0.000 . 2.380 2.095 2.031 2.112 . 0 0 "[ . 1 . 2]" 1
207 1 20 ARG QB 1 20 ARG QG 0.000 . 2.200 2.066 2.049 2.076 . 0 0 "[ . 1 . 2]" 1
208 1 20 ARG QB 1 21 LYS H 0.000 . 2.780 2.568 2.384 2.683 . 0 0 "[ . 1 . 2]" 1
209 1 20 ARG QB 1 21 LYS QG 0.000 . 2.810 2.165 2.048 2.763 . 0 0 "[ . 1 . 2]" 1
210 1 20 ARG QB 1 32 LEU QB 0.000 . 3.430 2.439 2.109 2.566 . 0 0 "[ . 1 . 2]" 1
211 1 20 ARG QB 1 32 LEU QD 0.000 . 2.310 1.719 1.618 1.787 . 0 0 "[ . 1 . 2]" 1
212 1 20 ARG QB 1 32 LEU HG 0.000 . 2.980 3.692 3.521 3.821 0.841 12 20 [***********+******-*] 1
213 1 20 ARG QD 1 20 ARG QG 0.000 . 2.150 2.084 2.042 2.089 . 0 0 "[ . 1 . 2]" 1
214 1 20 ARG QD 1 32 LEU QD 0.000 . 3.120 2.076 1.818 2.171 . 0 0 "[ . 1 . 2]" 1
215 1 20 ARG QD 1 32 LEU HG 0.000 . 3.320 4.169 3.742 4.330 1.010 13 19 [************+***-**2] 1
216 1 20 ARG QG 1 21 LYS H 0.000 . 3.720 4.304 4.083 4.393 0.673 13 14 "[* *** ******+-** 2]" 1
217 1 20 ARG QG 1 32 LEU QB 0.000 . 3.590 4.412 4.037 4.569 0.979 11 18 "[**********+*****-* 2]" 1
218 1 20 ARG QG 1 32 LEU QD 0.000 . 2.940 3.149 2.976 3.273 0.333 12 0 "[ . 1 . 2]" 1
219 1 20 ARG QG 1 34 LYS H 0.000 . 3.700 4.127 3.634 5.215 1.515 20 6 "[ * .- 1 . ***+]" 1
220 1 21 LYS H 1 21 LYS QB 0.000 . 2.800 2.707 2.628 2.757 . 0 0 "[ . 1 . 2]" 1
221 1 21 LYS H 1 21 LYS QD 0.000 . 3.960 3.946 3.456 4.107 0.147 12 0 "[ . 1 . 2]" 1
222 1 21 LYS H 1 21 LYS QG 0.000 . 3.110 2.860 2.774 3.264 0.154 13 0 "[ . 1 . 2]" 1
223 1 21 LYS H 1 22 LYS H 0.000 . 3.560 4.422 4.404 4.440 0.880 4 20 [***+********-*******] 1
224 1 21 LYS H 1 22 LYS HA 0.000 . 3.680 4.885 4.851 4.914 1.234 20 20 [*************-*****+] 1
225 1 21 LYS H 1 31 TYR HA 0.000 . 3.770 4.238 4.111 4.308 0.538 10 5 "[* - ** + . 2]" 1
226 1 21 LYS H 1 31 TYR QB 0.000 . 5.770 4.484 4.324 4.655 . 0 0 "[ . 1 . 2]" 1
227 1 21 LYS H 1 31 TYR QD 0.000 . 3.650 4.562 4.461 4.618 0.968 14 20 [*************+****-*] 1
228 1 21 LYS H 1 32 LEU H 0.000 . 3.120 2.729 2.553 2.857 . 0 0 "[ . 1 . 2]" 1
229 1 21 LYS H 1 32 LEU HA 0.000 . 4.820 4.200 4.111 4.248 . 0 0 "[ . 1 . 2]" 1
230 1 21 LYS H 1 32 LEU QB 0.000 . 3.150 1.933 1.885 2.010 . 0 0 "[ . 1 . 2]" 1
231 1 21 LYS H 1 32 LEU QD 0.000 . 2.910 3.224 3.166 3.299 0.389 13 0 "[ . 1 . 2]" 1
232 1 21 LYS H 1 32 LEU HG 0.000 . 3.870 4.508 4.454 4.595 0.725 11 20 [**********+**-******] 1
233 1 21 LYS H 1 60 TYR QE 0.000 . 3.620 3.466 3.268 3.834 0.214 19 0 "[ . 1 . 2]" 1
234 1 21 LYS HA 1 21 LYS QB 0.000 . 2.530 2.320 2.301 2.376 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS HA 1 21 LYS QD 0.000 . 3.170 4.057 3.952 4.077 0.907 14 20 [************-+******] 1
236 1 21 LYS HA 1 21 LYS QE 0.000 . 3.560 4.764 4.512 4.957 1.397 11 20 [**********+*-*******] 1
237 1 21 LYS HA 1 21 LYS QG 0.000 . 2.730 2.511 2.423 2.538 . 0 0 "[ . 1 . 2]" 1
238 1 21 LYS HA 1 22 LYS H 0.000 . 2.340 2.492 2.436 2.515 0.175 17 0 "[ . 1 . 2]" 1
239 1 21 LYS HA 1 22 LYS HA 0.000 . 5.020 4.547 4.530 4.566 . 0 0 "[ . 1 . 2]" 1
240 1 21 LYS HA 1 60 TYR QE 0.000 . 2.420 2.511 2.397 2.696 0.276 19 0 "[ . 1 . 2]" 1
241 1 21 LYS QB 1 21 LYS QD 0.000 . 2.420 2.094 2.012 2.113 . 0 0 "[ . 1 . 2]" 1
242 1 21 LYS QB 1 21 LYS QE 0.000 . 3.470 3.554 3.514 3.631 0.161 16 0 "[ . 1 . 2]" 1
243 1 21 LYS QB 1 21 LYS QG 0.000 . 2.420 2.064 2.012 2.073 . 0 0 "[ . 1 . 2]" 1
244 1 21 LYS QB 1 23 ARG H 0.000 . 4.060 4.643 4.356 4.995 0.935 14 13 "[*** * *-**** +* * 2]" 1
245 1 21 LYS QB 1 23 ARG QB 0.000 . 3.500 4.166 3.931 4.295 0.795 10 19 "[*********+** *****-*]" 1
246 1 21 LYS QB 1 32 LEU H 0.000 . 3.510 2.701 2.572 2.772 . 0 0 "[ . 1 . 2]" 1
247 1 21 LYS QB 1 32 LEU HA 0.000 . 4.090 4.156 4.011 4.201 0.111 5 0 "[ . 1 . 2]" 1
248 1 21 LYS QB 1 32 LEU QB 0.000 . 2.410 1.743 1.599 1.779 . 0 0 "[ . 1 . 2]" 1
249 1 21 LYS QB 1 32 LEU QD 0.000 . 2.940 3.351 3.279 3.395 0.455 20 0 "[ . 1 . 2]" 1
250 1 21 LYS QB 1 32 LEU HG 0.000 . 3.700 3.286 3.202 3.359 . 0 0 "[ . 1 . 2]" 1
251 1 21 LYS QB 1 45 TRP HE3 0.000 . 3.710 4.611 4.392 4.678 0.968 4 20 [***+********-*******] 1
252 1 21 LYS QB 1 45 TRP HH2 0.000 . 2.500 1.998 1.788 2.049 . 0 0 "[ . 1 . 2]" 1
253 1 21 LYS QB 1 45 TRP HZ2 0.000 . 2.930 3.212 3.126 3.300 0.370 19 0 "[ . 1 . 2]" 1
254 1 21 LYS QB 1 45 TRP HZ3 0.000 . 3.690 3.103 2.821 3.187 . 0 0 "[ . 1 . 2]" 1
255 1 21 LYS QD 1 21 LYS QE 0.000 . 2.260 2.052 2.009 2.080 . 0 0 "[ . 1 . 2]" 1
256 1 21 LYS QD 1 21 LYS QG 0.000 . 1.970 2.076 2.044 2.081 0.111 12 0 "[ . 1 . 2]" 1
257 1 21 LYS QD 1 32 LEU QB 0.000 . 2.450 2.258 1.899 2.424 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS QD 1 32 LEU QD 0.000 . 2.940 2.665 2.245 2.750 . 0 0 "[ . 1 . 2]" 1
259 1 21 LYS QD 1 32 LEU HG 0.000 . 3.010 1.862 1.746 1.945 . 0 0 "[ . 1 . 2]" 1
260 1 21 LYS QD 1 45 TRP HE1 0.000 . 3.650 4.292 4.089 4.436 0.786 19 18 "[******* **-****** +*]" 1
261 1 21 LYS QD 1 45 TRP HH2 0.000 . 2.710 2.953 2.732 3.059 0.349 5 0 "[ . 1 . 2]" 1
262 1 21 LYS QD 1 45 TRP HZ2 0.000 . 2.850 2.525 2.357 2.607 . 0 0 "[ . 1 . 2]" 1
263 1 21 LYS QE 1 21 LYS QG 0.000 . 2.160 2.164 2.064 2.281 0.121 16 0 "[ . 1 . 2]" 1
264 1 21 LYS QE 1 22 LYS H 0.000 . 5.190 5.930 5.749 6.183 0.993 8 20 [*******+****-*******] 1
265 1 21 LYS QE 1 32 LEU QB 0.000 . 4.940 3.660 3.460 3.838 . 0 0 "[ . 1 . 2]" 1
266 1 21 LYS QE 1 32 LEU QD 0.000 . 2.660 2.879 2.613 3.202 0.542 13 1 "[ . 1 + . 2]" 1
267 1 21 LYS QE 1 45 TRP HH2 0.000 . 4.540 4.973 4.644 5.050 0.510 5 2 "[ -+ 1 . 2]" 1
268 1 21 LYS QE 1 45 TRP HZ2 0.000 . 3.630 4.333 3.959 4.596 0.966 20 13 "[* **. * * *-** ***+]" 1
269 1 21 LYS QG 1 22 LYS H 0.000 . 3.580 3.822 3.581 3.885 0.305 14 0 "[ . 1 . 2]" 1
270 1 21 LYS QG 1 32 LEU QB 0.000 . 2.890 2.563 2.436 3.027 0.137 13 0 "[ . 1 . 2]" 1
271 1 21 LYS QG 1 32 LEU HG 0.000 . 3.130 3.578 3.467 3.931 0.801 13 2 "[ . 1 + . -2]" 1
272 1 21 LYS QG 1 45 TRP HH2 0.000 . 3.070 3.857 3.257 3.937 0.867 18 18 "[********-*** ****+ *]" 1
273 1 21 LYS QG 1 45 TRP HZ2 0.000 . 3.670 4.412 4.040 4.528 0.858 16 19 "[************ **+**-*]" 1
274 1 21 LYS QG 1 60 TYR QE 0.000 . 3.390 4.139 4.033 4.314 0.924 19 20 [*********-********+*] 1
275 1 22 LYS H 1 22 LYS HA 0.000 . 3.060 2.904 2.887 2.915 . 0 0 "[ . 1 . 2]" 1
276 1 22 LYS H 1 22 LYS QB 0.000 . 2.380 2.719 2.683 2.771 0.391 13 0 "[ . 1 . 2]" 1
277 1 22 LYS H 1 22 LYS QD 0.000 . 4.320 4.854 4.805 4.926 0.606 8 19 "[*******+***** **-***]" 1
278 1 22 LYS H 1 22 LYS QE 0.000 . 6.280 6.090 6.001 6.134 . 0 0 "[ . 1 . 2]" 1
279 1 22 LYS H 1 22 LYS QG 0.000 . 3.370 4.015 3.951 4.045 0.675 20 20 [*******-***********+] 1
280 1 22 LYS H 1 23 ARG H 0.000 . 3.240 4.049 3.882 4.247 1.007 14 20 [************-+******] 1
281 1 22 LYS H 1 32 LEU QB 0.000 . 4.900 4.420 4.373 4.546 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS H 1 45 TRP HH2 0.000 . 3.580 3.198 3.077 3.310 . 0 0 "[ . 1 . 2]" 1
283 1 22 LYS H 1 45 TRP HZ3 0.000 . 4.080 3.533 3.347 3.772 . 0 0 "[ . 1 . 2]" 1
284 1 22 LYS HA 1 22 LYS QB 0.000 . 2.490 2.291 2.276 2.299 . 0 0 "[ . 1 . 2]" 1
285 1 22 LYS HA 1 22 LYS QD 0.000 . 3.210 4.066 4.006 4.084 0.874 11 20 [*******-**+*********] 1
286 1 22 LYS HA 1 22 LYS QE 0.000 . 5.630 4.723 4.632 4.786 . 0 0 "[ . 1 . 2]" 1
287 1 22 LYS HA 1 22 LYS QG 0.000 . 2.910 2.574 2.557 2.594 . 0 0 "[ . 1 . 2]" 1
288 1 22 LYS HA 1 23 ARG H 0.000 . 2.340 2.161 2.145 2.182 . 0 0 "[ . 1 . 2]" 1
289 1 22 LYS HA 1 30 GLU H 0.000 . 3.940 4.081 3.896 4.187 0.247 5 0 "[ . 1 . 2]" 1
290 1 22 LYS HA 1 31 TYR QD 0.000 . 2.230 2.860 2.772 2.885 0.655 13 20 [************+******-] 1
291 1 22 LYS HA 1 31 TYR QE 0.000 . 2.920 4.003 3.967 4.035 1.115 1 20 [+**-****************] 1
292 1 22 LYS HA 1 45 TRP HE3 0.000 . 3.860 4.212 4.093 4.425 0.565 18 2 "[ . - 1 . + 2]" 1
293 1 22 LYS HA 1 45 TRP HZ3 0.000 . 2.600 2.370 2.258 2.512 . 0 0 "[ . 1 . 2]" 1
294 1 22 LYS HA 1 60 TYR QE 0.000 . 3.590 4.500 4.439 4.551 0.961 11 20 [*******-**+*********] 1
295 1 22 LYS QB 1 22 LYS QD 0.000 . 2.490 2.142 2.133 2.160 . 0 0 "[ . 1 . 2]" 1
296 1 22 LYS QB 1 22 LYS QE 0.000 . 3.190 3.520 3.478 3.542 0.352 10 0 "[ . 1 . 2]" 1
297 1 22 LYS QB 1 22 LYS QG 0.000 . 2.430 2.084 2.081 2.087 . 0 0 "[ . 1 . 2]" 1
298 1 22 LYS QB 1 31 TYR QD 0.000 . 2.400 2.175 2.145 2.220 . 0 0 "[ . 1 . 2]" 1
299 1 22 LYS QB 1 31 TYR QE 0.000 . 2.530 2.080 1.971 2.146 . 0 0 "[ . 1 . 2]" 1
300 1 22 LYS QB 1 60 TYR QE 0.000 . 2.170 2.105 1.995 2.199 0.029 19 0 "[ . 1 . 2]" 1
301 1 22 LYS QD 1 22 LYS QE 0.000 . 2.390 2.084 2.078 2.092 . 0 0 "[ . 1 . 2]" 1
302 1 22 LYS QD 1 22 LYS QG 0.000 . 2.290 2.084 2.080 2.089 . 0 0 "[ . 1 . 2]" 1
303 1 22 LYS QD 1 29 VAL QG 0.000 . 3.130 3.142 2.885 3.296 0.166 7 0 "[ . 1 . 2]" 1
304 1 22 LYS QD 1 31 TYR QD 0.000 . 3.200 3.780 3.711 3.857 0.657 19 20 [*******-**********+*] 1
305 1 22 LYS QD 1 31 TYR QE 0.000 . 2.070 1.842 1.795 1.960 . 0 0 "[ . 1 . 2]" 1
306 1 22 LYS QE 1 22 LYS QG 0.000 . 2.390 2.113 2.100 2.126 . 0 0 "[ . 1 . 2]" 1
307 1 22 LYS QE 1 23 ARG H 0.000 . 4.950 4.818 4.367 5.053 0.103 19 0 "[ . 1 . 2]" 1
308 1 22 LYS QE 1 24 VAL QG 0.000 . 3.680 2.207 2.050 2.292 . 0 0 "[ . 1 . 2]" 1
309 1 22 LYS QE 1 29 VAL QG 0.000 . 2.450 1.828 1.714 1.928 . 0 0 "[ . 1 . 2]" 1
310 1 22 LYS QE 1 31 TYR QE 0.000 . 3.190 3.366 3.117 3.770 0.580 19 4 "[ . -* .* +2]" 1
311 1 22 LYS QG 1 23 ARG H 0.000 . 2.620 2.922 2.559 3.114 0.494 13 0 "[ . 1 . 2]" 1
312 1 22 LYS QG 1 23 ARG HA 0.000 . 3.100 3.418 3.231 3.590 0.490 20 0 "[ . 1 . 2]" 1
313 1 22 LYS QG 1 24 VAL H 0.000 . 3.850 4.223 4.104 4.459 0.609 6 3 "[ .+ 1 . * -]" 1
314 1 22 LYS QG 1 30 GLU H 0.000 . 3.200 3.210 3.047 3.323 0.123 11 0 "[ . 1 . 2]" 1
315 1 22 LYS QG 1 31 TYR QD 0.000 . 3.390 3.427 3.324 3.682 0.292 8 0 "[ . 1 . 2]" 1
316 1 22 LYS QG 1 31 TYR QE 0.000 . 2.990 2.846 2.741 3.139 0.149 8 0 "[ . 1 . 2]" 1
317 1 22 LYS QG 1 45 TRP HZ3 0.000 . 3.870 4.358 4.232 4.531 0.661 19 9 "[ *.-** 1 ** . **+2]" 1
318 1 22 LYS QG 1 60 TYR QE 0.000 . 3.680 3.801 3.733 3.880 0.200 14 0 "[ . 1 . 2]" 1
319 1 23 ARG H 1 23 ARG HA 0.000 . 2.880 2.935 2.911 2.947 0.067 17 0 "[ . 1 . 2]" 1
320 1 23 ARG H 1 23 ARG QB 0.000 . 2.870 2.745 2.558 2.861 . 0 0 "[ . 1 . 2]" 1
321 1 23 ARG H 1 23 ARG HE 0.000 . 3.860 5.405 5.178 5.601 1.741 19 20 [***-**************+*] 1
322 1 23 ARG H 1 23 ARG QG 0.000 . 3.140 2.789 2.540 3.086 . 0 0 "[ . 1 . 2]" 1
323 1 23 ARG H 1 24 VAL H 0.000 . 3.220 4.351 4.273 4.450 1.230 17 20 [******-*********+***] 1
324 1 23 ARG H 1 24 VAL QG 0.000 . 3.860 4.009 3.762 4.144 0.284 13 0 "[ . 1 . 2]" 1
325 1 23 ARG H 1 29 VAL HA 0.000 . 3.560 4.644 4.424 4.859 1.299 6 20 [*****+***-**********] 1
326 1 23 ARG H 1 30 GLU H 0.000 . 2.980 2.843 2.630 3.051 0.071 6 0 "[ . 1 . 2]" 1
327 1 23 ARG H 1 30 GLU QB 0.000 . 3.110 2.763 2.551 2.993 . 0 0 "[ . 1 . 2]" 1
328 1 23 ARG H 1 30 GLU QG 0.000 . 3.910 4.515 4.189 4.836 0.926 6 14 "[****.+***1****. * -]" 1
329 1 23 ARG H 1 45 TRP HE3 0.000 . 3.220 3.695 3.510 4.068 0.848 7 8 "[ **. +* * - *. * 2]" 1
330 1 23 ARG H 1 45 TRP HZ3 0.000 . 3.400 2.234 2.031 2.622 . 0 0 "[ . 1 . 2]" 1
331 1 23 ARG HA 1 23 ARG QB 0.000 . 2.560 2.159 2.150 2.168 . 0 0 "[ . 1 . 2]" 1
332 1 23 ARG HA 1 23 ARG QD 0.000 . 3.460 4.209 4.085 4.291 0.831 7 20 [******+***********-*] 1
333 1 23 ARG HA 1 23 ARG QG 0.000 . 2.950 3.269 3.176 3.319 0.369 20 0 "[ . 1 . 2]" 1
334 1 23 ARG HA 1 24 VAL H 0.000 . 2.070 2.175 2.142 2.237 0.167 17 0 "[ . 1 . 2]" 1
335 1 23 ARG HA 1 24 VAL QG 0.000 . 3.680 3.547 3.514 3.582 . 0 0 "[ . 1 . 2]" 1
336 1 23 ARG QB 1 23 ARG QD 0.000 . 2.420 2.102 2.065 2.121 . 0 0 "[ . 1 . 2]" 1
337 1 23 ARG QB 1 23 ARG HE 0.000 . 3.510 3.942 3.923 3.985 0.475 10 0 "[ . 1 . 2]" 1
338 1 23 ARG QB 1 23 ARG QG 0.000 . 2.430 2.074 2.056 2.085 . 0 0 "[ . 1 . 2]" 1
339 1 23 ARG QB 1 24 VAL H 0.000 . 3.310 3.177 3.062 3.318 0.008 19 0 "[ . 1 . 2]" 1
340 1 23 ARG QB 1 45 TRP HE3 0.000 . 5.040 4.214 3.618 4.580 . 0 0 "[ . 1 . 2]" 1
341 1 23 ARG QB 1 45 TRP HH2 0.000 . 3.060 2.833 2.740 2.993 . 0 0 "[ . 1 . 2]" 1
342 1 23 ARG QB 1 45 TRP HZ3 0.000 . 3.550 2.897 2.556 3.116 . 0 0 "[ . 1 . 2]" 1
343 1 23 ARG QD 1 23 ARG QG 0.000 . 2.110 2.087 2.083 2.090 . 0 0 "[ . 1 . 2]" 1
344 1 23 ARG QD 1 24 VAL H 0.000 . 3.940 4.825 4.616 5.111 1.171 7 20 [******+********-****] 1
345 1 23 ARG QD 1 45 TRP HE1 0.000 . 4.930 4.574 4.220 4.914 . 0 0 "[ . 1 . 2]" 1
346 1 23 ARG QD 1 45 TRP HE3 0.000 . 4.330 3.992 2.853 4.594 0.264 18 0 "[ . 1 . 2]" 1
347 1 23 ARG QD 1 45 TRP HH2 0.000 . 3.950 4.018 3.606 4.593 0.643 19 1 "[ . 1 . +2]" 1
348 1 23 ARG QD 1 45 TRP HZ2 0.000 . 4.540 3.994 3.681 4.511 . 0 0 "[ . 1 . 2]" 1
349 1 23 ARG QD 1 45 TRP HZ3 0.000 . 5.270 4.018 3.251 4.625 . 0 0 "[ . 1 . 2]" 1
350 1 23 ARG HE 1 23 ARG QG 0.000 . 3.040 2.275 2.247 2.323 . 0 0 "[ . 1 . 2]" 1
351 1 23 ARG HE 1 24 VAL H 0.000 . 4.040 5.989 5.737 6.120 2.080 4 20 [***+************-***] 1
352 1 23 ARG HE 1 25 ARG QB 0.000 . 3.870 4.403 3.954 4.770 0.900 4 12 "[***+- ** 1** *.* *]" 1
353 1 23 ARG HE 1 30 GLU H 0.000 . 4.580 5.620 5.370 5.909 1.329 13 20 [************+******-] 1
354 1 23 ARG HE 1 30 GLU QB 0.000 . 3.210 3.194 2.839 3.699 0.489 19 0 "[ . 1 . 2]" 1
355 1 23 ARG HE 1 30 GLU QG 0.000 . 3.530 3.101 2.114 3.890 0.360 13 0 "[ . 1 . 2]" 1
356 1 23 ARG HE 1 45 TRP QB 0.000 . 5.020 4.368 4.028 4.925 . 0 0 "[ . 1 . 2]" 1
357 1 23 ARG HE 1 45 TRP HE3 0.000 . 3.880 4.951 4.535 5.593 1.713 19 20 [***-**************+*] 1
358 1 23 ARG QG 1 24 VAL H 0.000 . 2.780 3.494 3.179 3.679 0.899 18 15 "[***** -* 1*** ** +**]" 1
359 1 23 ARG QG 1 25 ARG QB 0.000 . 4.640 4.086 3.854 4.323 . 0 0 "[ . 1 . 2]" 1
360 1 23 ARG QG 1 30 GLU H 0.000 . 3.180 3.571 3.393 3.736 0.556 13 3 "[ . 1 -+ . *2]" 1
361 1 23 ARG QG 1 30 GLU QB 0.000 . 2.910 1.827 1.733 1.901 . 0 0 "[ . 1 . 2]" 1
362 1 23 ARG QG 1 30 GLU QG 0.000 . 3.270 2.921 2.323 3.350 0.080 2 0 "[ . 1 . 2]" 1
363 1 23 ARG QG 1 45 TRP HE3 0.000 . 3.980 3.422 3.003 4.217 0.237 7 0 "[ . 1 . 2]" 1
364 1 23 ARG QG 1 45 TRP HH2 0.000 . 4.840 4.357 3.858 5.110 0.270 10 0 "[ . 1 . 2]" 1
365 1 23 ARG QG 1 45 TRP HZ3 0.000 . 3.620 3.356 2.891 4.056 0.436 9 0 "[ . 1 . 2]" 1
366 1 24 VAL H 1 24 VAL HB 0.000 . 2.630 2.599 2.533 2.694 0.064 17 0 "[ . 1 . 2]" 1
367 1 24 VAL H 1 24 VAL QG 0.000 . 3.160 2.749 2.669 2.860 . 0 0 "[ . 1 . 2]" 1
368 1 24 VAL H 1 25 ARG H 0.000 . 3.310 4.489 4.447 4.522 1.212 13 20 [************+***-***] 1
369 1 24 VAL H 1 25 ARG HA 0.000 . 5.150 5.011 4.919 5.086 . 0 0 "[ . 1 . 2]" 1
370 1 24 VAL H 1 29 VAL HA 0.000 . 3.630 4.590 4.524 4.687 1.057 6 20 [*****+********-*****] 1
371 1 24 VAL H 1 30 GLU H 0.000 . 3.870 4.772 4.653 4.945 1.075 20 20 [************-******+] 1
372 1 24 VAL HA 1 24 VAL HB 0.000 . 2.600 3.022 3.019 3.024 0.424 12 0 "[ . 1 . 2]" 1
373 1 24 VAL HA 1 24 VAL QG 0.000 . 2.340 2.157 2.151 2.165 . 0 0 "[ . 1 . 2]" 1
374 1 24 VAL HA 1 25 ARG H 0.000 . 2.050 2.286 2.248 2.309 0.259 6 0 "[ . 1 . 2]" 1
375 1 24 VAL HA 1 27 GLY H 0.000 . 3.440 4.465 4.414 4.512 1.072 6 20 [*****+*************-] 1
376 1 24 VAL HA 1 28 LYS QB 0.000 . 3.670 4.065 3.975 4.121 0.451 19 0 "[ . 1 . 2]" 1
377 1 24 VAL HA 1 29 VAL HA 0.000 . 2.240 2.255 2.214 2.301 0.061 8 0 "[ . 1 . 2]" 1
378 1 24 VAL HA 1 29 VAL QG 0.000 . 3.030 3.426 3.339 3.471 0.441 6 0 "[ . 1 . 2]" 1
379 1 24 VAL HA 1 30 GLU H 0.000 . 2.730 3.394 3.251 3.675 0.945 20 20 [***********-*******+] 1
380 1 24 VAL HB 1 25 ARG H 0.000 . 2.870 3.904 3.881 3.920 1.050 1 20 [+*********-*********] 1
381 1 24 VAL MG1 1 24 VAL MG2 0.000 . 2.230 2.024 2.004 2.039 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL QG 1 25 ARG H 0.000 . 2.910 2.081 2.048 2.120 . 0 0 "[ . 1 . 2]" 1
383 1 24 VAL QG 1 25 ARG HA 0.000 . 3.480 3.302 3.285 3.328 . 0 0 "[ . 1 . 2]" 1
384 1 24 VAL QG 1 27 GLY H 0.000 . 2.570 1.919 1.887 1.958 . 0 0 "[ . 1 . 2]" 1
385 1 24 VAL QG 1 27 GLY QA 0.000 . 3.100 2.215 2.178 2.252 . 0 0 "[ . 1 . 2]" 1
386 1 24 VAL QG 1 28 LYS H 0.000 . 3.040 2.916 2.853 2.970 . 0 0 "[ . 1 . 2]" 1
387 1 24 VAL QG 1 28 LYS HA 0.000 . 2.950 3.761 3.731 3.786 0.836 17 20 [***********-****+***] 1
388 1 24 VAL QG 1 29 VAL HA 0.000 . 2.580 2.006 1.959 2.119 . 0 0 "[ . 1 . 2]" 1
389 1 24 VAL QG 1 29 VAL HB 0.000 . 2.880 3.643 3.591 3.661 0.781 3 20 [**+****************-] 1
390 1 24 VAL QG 1 29 VAL QG 0.000 . 2.530 1.684 1.639 1.704 . 0 0 "[ . 1 . 2]" 1
391 1 24 VAL QG 1 30 GLU H 0.000 . 4.010 3.137 3.061 3.273 . 0 0 "[ . 1 . 2]" 1
392 1 25 ARG H 1 25 ARG QB 0.000 . 3.170 2.610 2.583 2.648 . 0 0 "[ . 1 . 2]" 1
393 1 25 ARG H 1 25 ARG QD 0.000 . 5.110 4.747 4.660 4.805 . 0 0 "[ . 1 . 2]" 1
394 1 25 ARG H 1 25 ARG QG 0.000 . 3.310 4.132 4.094 4.167 0.857 2 20 [*+****************-*] 1
395 1 25 ARG H 1 27 GLY H 0.000 . 3.590 2.671 2.638 2.698 . 0 0 "[ . 1 . 2]" 1
396 1 25 ARG H 1 27 GLY QA 0.000 . 3.100 4.099 4.089 4.112 1.012 8 20 [*******+********-***] 1
397 1 25 ARG H 1 28 LYS H 0.000 . 2.670 2.604 2.538 2.692 0.022 6 0 "[ . 1 . 2]" 1
398 1 25 ARG H 1 28 LYS QB 0.000 . 3.470 2.655 2.589 2.732 . 0 0 "[ . 1 . 2]" 1
399 1 25 ARG H 1 29 VAL H 0.000 . 3.840 4.519 4.471 4.567 0.727 20 20 [************-******+] 1
400 1 25 ARG H 1 29 VAL HA 0.000 . 3.120 3.863 3.819 3.929 0.809 20 20 [************-******+] 1
401 1 25 ARG HA 1 25 ARG QB 0.000 . 2.290 2.413 2.374 2.459 0.169 2 0 "[ . 1 . 2]" 1
402 1 25 ARG HA 1 25 ARG QD 0.000 . 3.210 4.001 3.944 4.064 0.854 19 20 [************-*****+*] 1
403 1 25 ARG HA 1 25 ARG QG 0.000 . 2.270 2.383 2.300 2.475 0.205 19 0 "[ . 1 . 2]" 1
404 1 25 ARG HA 1 26 LYS HA 0.000 . 3.950 4.413 4.395 4.424 0.474 11 0 "[ . 1 . 2]" 1
405 1 25 ARG HA 1 26 LYS QB 0.000 . 3.920 4.312 4.277 4.402 0.482 2 0 "[ . 1 . 2]" 1
406 1 25 ARG HA 1 26 LYS QG 0.000 . 2.930 3.866 3.748 3.946 1.016 20 20 [*-*****************+] 1
407 1 25 ARG HA 1 27 GLY H 0.000 . 4.300 3.519 3.485 3.542 . 0 0 "[ . 1 . 2]" 1
408 1 25 ARG QB 1 25 ARG QD 0.000 . 2.070 2.116 2.104 2.134 0.064 20 0 "[ . 1 . 2]" 1
409 1 25 ARG QB 1 25 ARG QG 0.000 . 2.400 2.080 2.071 2.087 . 0 0 "[ . 1 . 2]" 1
410 1 25 ARG QB 1 28 LYS H 0.000 . 3.730 3.337 3.275 3.416 . 0 0 "[ . 1 . 2]" 1
411 1 25 ARG QB 1 28 LYS QD 0.000 . 2.830 2.335 2.193 2.473 . 0 0 "[ . 1 . 2]" 1
412 1 25 ARG QD 1 25 ARG QG 0.000 . 2.260 2.084 2.078 2.091 . 0 0 "[ . 1 . 2]" 1
413 1 25 ARG QG 1 26 LYS QD 0.000 . 2.800 2.650 2.335 2.805 0.005 13 0 "[ . 1 . 2]" 1
414 1 25 ARG QG 1 26 LYS QG 0.000 . 2.900 3.013 2.888 3.151 0.251 13 0 "[ . 1 . 2]" 1
415 1 26 LYS HA 1 26 LYS QB 0.000 . 2.010 2.395 2.360 2.408 0.398 20 0 "[ . 1 . 2]" 1
416 1 26 LYS HA 1 26 LYS QD 0.000 . 3.190 4.134 4.128 4.144 0.954 2 20 [*+*****-************] 1
417 1 26 LYS HA 1 26 LYS QE 0.000 . 3.640 4.354 4.182 4.469 0.829 12 20 [***-*******+********] 1
418 1 26 LYS HA 1 26 LYS QG 0.000 . 2.110 2.428 2.400 2.485 0.375 2 0 "[ . 1 . 2]" 1
419 1 26 LYS HA 1 27 GLY H 0.000 . 2.700 3.197 3.184 3.213 0.513 2 8 "[ + . - *** * **]" 1
420 1 26 LYS HA 1 27 GLY QA 0.000 . 3.210 4.117 4.111 4.125 0.915 2 20 [*+***********-******] 1
421 1 26 LYS HA 1 28 LYS H 0.000 . 3.830 4.722 4.700 4.762 0.932 14 20 [-************+******] 1
422 1 26 LYS QB 1 26 LYS QD 0.000 . 2.540 2.216 2.186 2.279 . 0 0 "[ . 1 . 2]" 1
423 1 26 LYS QB 1 26 LYS QE 0.000 . 2.160 2.079 2.050 2.122 . 0 0 "[ . 1 . 2]" 1
424 1 26 LYS QB 1 26 LYS QG 0.000 . 2.170 2.067 2.054 2.073 . 0 0 "[ . 1 . 2]" 1
425 1 26 LYS QB 1 27 GLY H 0.000 . 3.000 3.426 3.412 3.440 0.440 4 0 "[ . 1 . 2]" 1
426 1 26 LYS QB 1 28 LYS QB 0.000 . 3.400 4.545 4.520 4.566 1.166 17 20 [***********-****+***] 1
427 1 26 LYS QD 1 26 LYS QE 0.000 . 2.400 2.027 2.005 2.084 . 0 0 "[ . 1 . 2]" 1
428 1 26 LYS QD 1 26 LYS QG 0.000 . 2.420 2.010 2.000 2.015 . 0 0 "[ . 1 . 2]" 1
429 1 26 LYS QE 1 26 LYS QG 0.000 . 2.670 2.605 2.324 2.765 0.095 20 0 "[ . 1 . 2]" 1
430 1 26 LYS QG 1 27 GLY H 0.000 . 3.400 4.394 4.328 4.424 1.024 11 20 [*-********+*********] 1
431 1 27 GLY H 1 27 GLY QA 0.000 . 2.240 2.399 2.392 2.407 0.167 7 0 "[ . 1 . 2]" 1
432 1 27 GLY H 1 28 LYS H 0.000 . 2.730 2.126 2.058 2.186 . 0 0 "[ . 1 . 2]" 1
433 1 27 GLY H 1 28 LYS HA 0.000 . 3.300 4.665 4.640 4.679 1.379 6 20 [*****+********-*****] 1
434 1 27 GLY QA 1 28 LYS H 0.000 . 3.080 2.859 2.840 2.877 . 0 0 "[ . 1 . 2]" 1
435 1 28 LYS H 1 28 LYS QB 0.000 . 2.720 2.493 2.455 2.535 . 0 0 "[ . 1 . 2]" 1
436 1 28 LYS H 1 28 LYS QE 0.000 . 3.770 4.722 4.579 4.940 1.170 4 20 [***+***********-****] 1
437 1 28 LYS H 1 28 LYS QG 0.000 . 2.560 2.061 1.977 2.110 . 0 0 "[ . 1 . 2]" 1
438 1 28 LYS H 1 29 VAL H 0.000 . 3.140 4.300 4.285 4.310 1.170 14 20 [*********-***+******] 1
439 1 28 LYS H 1 29 VAL HA 0.000 . 3.840 5.235 5.188 5.284 1.444 4 20 [***+**********-*****] 1
440 1 28 LYS HA 1 28 LYS QB 0.000 . 2.330 2.336 2.322 2.354 0.024 14 0 "[ . 1 . 2]" 1
441 1 28 LYS HA 1 28 LYS QD 0.000 . 3.220 4.239 4.225 4.254 1.034 16 20 [*************-*+****] 1
442 1 28 LYS HA 1 28 LYS QE 0.000 . 3.410 4.130 3.957 4.331 0.921 20 20 [**-****************+] 1
443 1 28 LYS HA 1 28 LYS QG 0.000 . 2.560 2.526 2.486 2.576 0.016 1 0 "[ . 1 . 2]" 1
444 1 28 LYS HA 1 29 VAL H 0.000 . 1.990 2.177 2.162 2.195 0.205 7 0 "[ . 1 . 2]" 1
445 1 28 LYS QB 1 28 LYS QD 0.000 . 2.410 2.196 2.123 2.254 . 0 0 "[ . 1 . 2]" 1
446 1 28 LYS QB 1 28 LYS QE 0.000 . 2.140 2.147 2.038 2.623 0.483 9 0 "[ . 1 . 2]" 1
447 1 28 LYS QB 1 28 LYS QG 0.000 . 2.240 2.081 2.076 2.084 . 0 0 "[ . 1 . 2]" 1
448 1 28 LYS QB 1 29 VAL H 0.000 . 2.930 3.577 3.560 3.597 0.667 7 20 [*-****+*************] 1
449 1 28 LYS QB 1 29 VAL HA 0.000 . 3.800 4.477 4.438 4.498 0.698 19 20 [******************+-] 1
450 1 28 LYS QB 1 30 GLU QG 0.000 . 3.230 3.643 3.493 3.823 0.593 17 7 "[ . ** *.-+ **]" 1
451 1 28 LYS QD 1 28 LYS QE 0.000 . 2.480 2.053 2.003 2.089 . 0 0 "[ . 1 . 2]" 1
452 1 28 LYS QD 1 28 LYS QG 0.000 . 2.360 2.015 2.007 2.022 . 0 0 "[ . 1 . 2]" 1
453 1 28 LYS QE 1 28 LYS QG 0.000 . 2.520 2.396 2.215 2.699 0.179 20 0 "[ . 1 . 2]" 1
454 1 28 LYS QG 1 29 VAL H 0.000 . 3.560 4.408 4.373 4.450 0.890 1 20 [+**-****************] 1
455 1 29 VAL H 1 29 VAL QG 0.000 . 3.200 2.146 1.985 2.237 . 0 0 "[ . 1 . 2]" 1
456 1 29 VAL H 1 30 GLU H 0.000 . 3.550 4.561 4.551 4.570 1.020 18 20 [****-************+**] 1
457 1 29 VAL H 1 48 GLU H 0.000 . 4.660 4.107 4.023 4.304 . 0 0 "[ . 1 . 2]" 1
458 1 29 VAL HA 1 29 VAL HB 0.000 . 2.590 3.009 2.978 3.013 0.423 11 0 "[ . 1 . 2]" 1
459 1 29 VAL HA 1 29 VAL QG 0.000 . 2.020 2.149 2.118 2.158 0.138 13 0 "[ . 1 . 2]" 1
460 1 29 VAL HA 1 30 GLU H 0.000 . 2.180 2.190 2.165 2.223 0.043 20 0 "[ . 1 . 2]" 1
461 1 29 VAL HA 1 30 GLU HA 0.000 . 3.390 4.433 4.418 4.461 1.071 14 20 [************-+******] 1
462 1 29 VAL HB 1 30 GLU H 0.000 . 3.320 3.839 3.677 3.921 0.601 5 13 "[****+- * 1*** ** *2]" 1
463 1 29 VAL HB 1 48 GLU H 0.000 . 3.050 2.824 2.707 3.169 0.119 20 0 "[ . 1 . 2]" 1
464 1 29 VAL HB 1 48 GLU QB 0.000 . 3.120 1.790 1.589 1.874 . 0 0 "[ . 1 . 2]" 1
465 1 29 VAL HB 1 48 GLU QG 0.000 . 2.860 3.172 1.941 3.325 0.465 8 0 "[ . 1 . 2]" 1
466 1 29 VAL MG1 1 29 VAL MG2 0.000 . 1.830 2.041 1.937 2.051 0.221 17 0 "[ . 1 . 2]" 1
467 1 29 VAL QG 1 30 GLU H 0.000 . 3.680 2.154 1.881 2.263 . 0 0 "[ . 1 . 2]" 1
468 1 29 VAL QG 1 30 GLU HA 0.000 . 4.070 3.337 3.265 3.520 . 0 0 "[ . 1 . 2]" 1
469 1 29 VAL QG 1 31 TYR QE 0.000 . 3.190 2.719 2.494 3.341 0.151 20 0 "[ . 1 . 2]" 1
470 1 29 VAL QG 1 48 GLU H 0.000 . 3.900 3.095 2.870 3.800 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL QG 1 48 GLU QB 0.000 . 2.930 1.982 1.814 2.767 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL QG 1 48 GLU QG 0.000 . 3.490 2.609 1.680 3.012 . 0 0 "[ . 1 . 2]" 1
473 1 30 GLU H 1 30 GLU HA 0.000 . 2.890 2.922 2.912 2.932 0.042 12 0 "[ . 1 . 2]" 1
474 1 30 GLU H 1 30 GLU QB 0.000 . 2.780 2.667 2.587 2.741 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLU H 1 30 GLU QG 0.000 . 2.630 3.123 2.966 3.406 0.776 7 6 "[ .-+ ** *. * 2]" 1
476 1 30 GLU H 1 31 TYR H 0.000 . 3.890 4.378 4.294 4.423 0.533 15 7 "[ * 1 ** +* -*2]" 1
477 1 30 GLU H 1 45 TRP HE3 0.000 . 5.330 4.832 4.621 5.062 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLU H 1 45 TRP HZ3 0.000 . 4.540 4.643 4.404 4.790 0.250 19 0 "[ . 1 . 2]" 1
479 1 30 GLU H 1 48 GLU QB 0.000 . 3.780 4.266 3.918 4.754 0.974 20 10 "[-***.* * 1*** . +]" 1
480 1 30 GLU HA 1 30 GLU QB 0.000 . 2.670 2.381 2.333 2.466 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HA 1 30 GLU QG 0.000 . 2.300 2.404 2.339 2.476 0.176 11 0 "[ . 1 . 2]" 1
482 1 30 GLU HA 1 31 TYR H 0.000 . 2.300 2.354 2.241 2.449 0.149 15 0 "[ . 1 . 2]" 1
483 1 30 GLU HA 1 31 TYR QD 0.000 . 3.140 4.141 3.986 4.390 1.250 20 20 [**************-****+] 1
484 1 30 GLU HA 1 45 TRP HE3 0.000 . 2.950 4.010 3.898 4.115 1.165 19 20 [*******-**********+*] 1
485 1 30 GLU HA 1 46 GLU H 0.000 . 3.280 4.598 4.078 4.684 1.404 5 20 [****+************-**] 1
486 1 30 GLU HA 1 47 PRO HA 0.000 . 2.400 1.912 1.760 2.388 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLU HA 1 47 PRO QB 0.000 . 3.640 3.866 3.643 4.265 0.625 20 1 "[ . 1 . +]" 1
488 1 30 GLU HA 1 48 GLU H 0.000 . 2.320 2.935 2.546 3.036 0.716 20 18 [**-*.****1*********+] 1
489 1 30 GLU HA 1 48 GLU QB 0.000 . 3.590 4.171 3.821 4.313 0.723 8 17 [****.**+*1****.***-*] 1
490 1 30 GLU QB 1 30 GLU QG 0.000 . 2.310 2.056 2.011 2.085 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLU QB 1 31 TYR H 0.000 . 3.180 2.655 2.434 2.974 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLU QB 1 45 TRP QB 0.000 . 3.150 2.583 2.428 2.907 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLU QB 1 45 TRP HE3 0.000 . 2.700 2.094 1.976 2.197 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLU QB 1 45 TRP HZ3 0.000 . 3.810 3.302 3.059 3.448 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLU QB 1 46 GLU H 0.000 . 4.120 4.070 3.369 4.333 0.213 7 0 "[ . 1 . 2]" 1
496 1 30 GLU QB 1 46 GLU HA 0.000 . 4.350 4.936 4.665 5.352 1.002 7 15 "[*** -*+*******.** 2]" 1
497 1 30 GLU QB 1 47 PRO HA 0.000 . 3.300 3.647 3.533 3.776 0.476 9 0 "[ . 1 . 2]" 1
498 1 30 GLU QG 1 31 TYR H 0.000 . 3.520 4.061 3.916 4.196 0.676 7 13 "[ * +***- *******]" 1
499 1 30 GLU QG 1 45 TRP HE3 0.000 . 3.500 4.238 4.132 4.334 0.834 19 20 [******************+-] 1
500 1 30 GLU QG 1 47 PRO HA 0.000 . 2.830 2.598 2.420 2.747 . 0 0 "[ . 1 . 2]" 1
501 1 30 GLU QG 1 48 GLU H 0.000 . 3.650 4.014 3.692 4.195 0.545 12 2 "[ . 1 +- . 2]" 1
502 1 31 TYR H 1 31 TYR HA 0.000 . 2.890 2.933 2.918 2.951 0.061 4 0 "[ . 1 . 2]" 1
503 1 31 TYR H 1 31 TYR QB 0.000 . 2.770 2.584 2.457 2.670 . 0 0 "[ . 1 . 2]" 1
504 1 31 TYR H 1 31 TYR QD 0.000 . 3.560 3.695 3.457 3.930 0.370 10 0 "[ . 1 . 2]" 1
505 1 31 TYR H 1 31 TYR QE 0.000 . 4.390 5.466 5.269 5.683 1.293 10 20 [***-*****+**********] 1
506 1 31 TYR H 1 32 LEU H 0.000 . 5.370 4.116 4.002 4.305 . 0 0 "[ . 1 . 2]" 1
507 1 31 TYR H 1 32 LEU HA 0.000 . 5.730 4.710 4.601 4.927 . 0 0 "[ . 1 . 2]" 1
508 1 31 TYR H 1 45 TRP HE3 0.000 . 3.400 2.864 2.680 3.113 . 0 0 "[ . 1 . 2]" 1
509 1 31 TYR H 1 46 GLU H 0.000 . 3.140 2.704 2.255 2.893 . 0 0 "[ . 1 . 2]" 1
510 1 31 TYR H 1 46 GLU QB 0.000 . 3.310 3.984 3.807 4.467 1.157 4 19 [***+*-*************2] 1
511 1 31 TYR H 1 47 PRO HA 0.000 . 2.980 3.650 3.358 4.085 1.105 20 17 "[***** - *** *******+]" 1
512 1 31 TYR H 1 48 GLU H 0.000 . 3.770 4.645 4.348 4.986 1.216 20 20 [*******-***********+] 1
513 1 31 TYR H 1 48 GLU HA 0.000 . 5.300 5.139 4.714 5.512 0.212 15 0 "[ . 1 . 2]" 1
514 1 31 TYR H 1 51 ILE MD 0.000 . 4.020 3.797 3.541 4.231 0.211 15 0 "[ . 1 . 2]" 1
515 1 31 TYR HA 1 31 TYR QD 0.000 . 2.230 2.390 2.200 2.480 0.250 4 0 "[ . 1 . 2]" 1
516 1 31 TYR HA 1 32 LEU H 0.000 . 3.510 2.172 2.146 2.195 . 0 0 "[ . 1 . 2]" 1
517 1 31 TYR HA 1 32 LEU QB 0.000 . 3.950 4.123 4.085 4.154 0.204 10 0 "[ . 1 . 2]" 1
518 1 31 TYR HA 1 45 TRP HE3 0.000 . 2.880 3.401 3.339 3.497 0.617 18 14 "[ *** -* * ***** +**]" 1
519 1 31 TYR HA 1 45 TRP HZ3 0.000 . 2.660 2.899 2.771 3.035 0.375 17 0 "[ . 1 . 2]" 1
520 1 31 TYR QB 1 31 TYR QD 0.000 . 2.280 2.154 2.133 2.180 . 0 0 "[ . 1 . 2]" 1
521 1 31 TYR QB 1 32 LEU H 0.000 . 4.610 3.480 3.354 3.584 . 0 0 "[ . 1 . 2]" 1
522 1 31 TYR QB 1 45 TRP HE3 0.000 . 3.440 4.576 4.544 4.606 1.166 5 20 [****+***********-***] 1
523 1 31 TYR QB 1 47 PRO HA 0.000 . 4.220 5.028 4.847 5.527 1.307 20 20 [***********-*******+] 1
524 1 31 TYR QB 1 51 ILE MD 0.000 . 2.490 2.141 1.704 2.375 . 0 0 "[ . 1 . 2]" 1
525 1 31 TYR QD 1 32 LEU H 0.000 . 3.260 3.849 3.754 3.910 0.650 7 19 "[******+**-******* **]" 1
526 1 31 TYR QD 1 45 TRP HZ3 0.000 . 3.330 4.630 4.467 4.685 1.355 13 20 [************+******-] 1
527 1 31 TYR QD 1 48 GLU HA 0.000 . 2.890 2.197 1.970 3.121 0.231 20 0 "[ . 1 . 2]" 1
528 1 31 TYR QD 1 48 GLU QB 0.000 . 3.520 3.266 2.654 4.622 1.102 20 1 "[ . 1 . +]" 1
529 1 31 TYR QD 1 48 GLU QG 0.000 . 2.840 3.676 3.232 3.717 0.877 9 19 [********+*-********2] 1
530 1 31 TYR QD 1 51 ILE HB 0.000 . 3.160 4.060 3.706 4.196 1.036 4 20 [***+************-***] 1
531 1 31 TYR QD 1 51 ILE QG 0.000 . 3.700 2.019 1.864 2.464 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR QD 1 57 VAL QG 0.000 . 3.540 2.999 2.666 3.125 . 0 0 "[ . 1 . 2]" 1
533 1 31 TYR QD 1 60 TYR QD 0.000 . 3.030 3.914 3.828 3.962 0.932 12 20 [***********+**-*****] 1
534 1 31 TYR QE 1 48 GLU QG 0.000 . 3.010 2.000 1.803 2.358 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR QE 1 57 VAL QG 0.000 . 3.050 2.279 1.683 2.384 . 0 0 "[ . 1 . 2]" 1
536 1 31 TYR QE 1 60 TYR QD 0.000 . 3.360 2.726 2.572 2.821 . 0 0 "[ . 1 . 2]" 1
537 1 31 TYR QE 1 60 TYR QE 0.000 . 2.660 3.114 2.604 3.262 0.602 13 10 "[*** .* - 1* +*.* * 2]" 1
538 1 31 TYR QE 1 61 GLU QG 0.000 . 3.590 4.093 3.627 4.655 1.065 9 10 "[ * *** *+1**-*. 2]" 1
539 1 32 LEU H 1 32 LEU QB 0.000 . 3.360 2.243 2.215 2.267 . 0 0 "[ . 1 . 2]" 1
540 1 32 LEU H 1 32 LEU QD 0.000 . 3.410 3.643 3.631 3.660 0.250 18 0 "[ . 1 . 2]" 1
541 1 32 LEU H 1 32 LEU HG 0.000 . 4.920 4.586 4.542 4.622 . 0 0 "[ . 1 . 2]" 1
542 1 32 LEU H 1 45 TRP HE3 0.000 . 4.590 3.231 3.079 3.499 . 0 0 "[ . 1 . 2]" 1
543 1 32 LEU H 1 45 TRP HZ3 0.000 . 3.320 2.612 2.485 2.786 . 0 0 "[ . 1 . 2]" 1
544 1 32 LEU HA 1 32 LEU QD 0.000 . 2.170 1.881 1.843 1.915 . 0 0 "[ . 1 . 2]" 1
545 1 32 LEU HA 1 32 LEU HG 0.000 . 3.210 3.636 3.609 3.651 0.441 8 0 "[ . 1 . 2]" 1
546 1 32 LEU HA 1 45 TRP HA 0.000 . 2.390 2.459 2.321 2.593 0.203 19 0 "[ . 1 . 2]" 1
547 1 32 LEU HA 1 45 TRP QB 0.000 . 3.770 4.288 4.184 4.379 0.609 15 14 "[** **- ** **+* ***]" 1
548 1 32 LEU HA 1 45 TRP HE3 0.000 . 3.600 3.669 3.577 3.759 0.159 15 0 "[ . 1 . 2]" 1
549 1 32 LEU HA 1 46 GLU H 0.000 . 3.050 3.751 3.579 3.954 0.904 18 20 [******-**********+**] 1
550 1 32 LEU QB 1 32 LEU QD 0.000 . 2.310 2.002 1.989 2.018 . 0 0 "[ . 1 . 2]" 1
551 1 32 LEU QB 1 45 TRP HE1 0.000 . 4.220 4.239 4.101 4.467 0.247 19 0 "[ . 1 . 2]" 1
552 1 32 LEU QB 1 45 TRP HH2 0.000 . 3.460 2.981 2.784 3.057 . 0 0 "[ . 1 . 2]" 1
553 1 32 LEU QB 1 45 TRP HZ2 0.000 . 4.900 3.141 3.051 3.234 . 0 0 "[ . 1 . 2]" 1
554 1 32 LEU QB 1 45 TRP HZ3 0.000 . 4.560 3.330 3.186 3.417 . 0 0 "[ . 1 . 2]" 1
555 1 32 LEU MD1 1 32 LEU MD2 0.000 . 2.670 2.068 2.056 2.078 . 0 0 "[ . 1 . 2]" 1
556 1 32 LEU QD 1 32 LEU HG 0.000 . 2.080 1.884 1.879 1.888 . 0 0 "[ . 1 . 2]" 1
557 1 32 LEU QD 1 43 SER HA 0.000 . 3.680 3.532 3.508 3.554 . 0 0 "[ . 1 . 2]" 1
558 1 32 LEU QD 1 43 SER QB 0.000 . 2.420 1.735 1.705 1.773 . 0 0 "[ . 1 . 2]" 1
559 1 32 LEU QD 1 44 THR H 0.000 . 2.940 2.740 2.673 2.867 . 0 0 "[ . 1 . 2]" 1
560 1 32 LEU QD 1 44 THR HA 0.000 . 2.940 3.071 2.951 3.182 0.242 15 0 "[ . 1 . 2]" 1
561 1 32 LEU QD 1 44 THR HB 0.000 . 5.080 4.622 4.502 4.706 . 0 0 "[ . 1 . 2]" 1
562 1 32 LEU QD 1 45 TRP HA 0.000 . 2.840 3.051 2.952 3.175 0.335 20 0 "[ . 1 . 2]" 1
563 1 32 LEU QD 1 45 TRP HD1 0.000 . 3.330 3.121 2.977 3.265 . 0 0 "[ . 1 . 2]" 1
564 1 32 LEU QD 1 45 TRP HE1 0.000 . 3.610 2.910 2.812 2.996 . 0 0 "[ . 1 . 2]" 1
565 1 32 LEU QD 1 45 TRP HE3 0.000 . 3.620 4.096 3.984 4.184 0.564 15 9 "[* -** *1* *+ *]" 1
566 1 32 LEU QD 1 45 TRP HH2 0.000 . 4.520 4.456 4.237 4.546 0.026 11 0 "[ . 1 . 2]" 1
567 1 32 LEU QD 1 45 TRP HZ2 0.000 . 3.760 3.667 3.473 3.731 . 0 0 "[ . 1 . 2]" 1
568 1 32 LEU HG 1 43 SER QB 0.000 . 2.990 3.681 3.647 3.732 0.742 19 20 [**************-***+*] 1
569 1 32 LEU HG 1 45 TRP HE1 0.000 . 4.140 3.866 3.705 4.008 . 0 0 "[ . 1 . 2]" 1
570 1 33 VAL HA 1 33 VAL HB 0.000 . 2.710 2.552 2.444 2.787 0.077 17 0 "[ . 1 . 2]" 1
571 1 33 VAL HA 1 33 VAL QG 0.000 . 3.020 2.191 2.054 2.292 . 0 0 "[ . 1 . 2]" 1
572 1 33 VAL HA 1 34 LYS H 0.000 . 3.130 2.147 2.119 2.217 . 0 0 "[ . 1 . 2]" 1
573 1 33 VAL MG1 1 33 VAL MG2 0.000 . 2.650 2.082 2.035 2.095 . 0 0 "[ . 1 . 2]" 1
574 1 33 VAL QG 1 34 LYS H 0.000 . 3.940 3.339 2.599 3.487 . 0 0 "[ . 1 . 2]" 1
575 1 33 VAL QG 1 35 TRP HE3 0.000 . 4.190 4.509 4.083 5.074 0.884 10 4 "[ . + * *-]" 1
576 1 33 VAL QG 1 46 GLU QB 0.000 . 4.400 2.699 2.336 3.717 . 0 0 "[ . 1 . 2]" 1
577 1 33 VAL QG 1 46 GLU QG 0.000 . 2.800 2.043 1.804 2.786 . 0 0 "[ . 1 . 2]" 1
578 1 33 VAL QG 1 51 ILE MD 0.000 . 2.590 2.131 1.887 2.433 . 0 0 "[ . 1 . 2]" 1
579 1 33 VAL QG 1 56 LEU QD 0.000 . 4.270 2.870 2.288 3.267 . 0 0 "[ . 1 . 2]" 1
580 1 34 LYS HA 1 34 LYS HB2 0.000 . 2.300 2.508 2.412 3.027 0.727 20 1 "[ . 1 . +]" 1
581 1 34 LYS HA 1 35 TRP HD1 0.000 . 3.940 4.463 3.924 4.816 0.876 18 12 "[****- ***1 ** .* + 2]" 1
582 1 34 LYS HA 1 43 SER HA 0.000 . 2.570 3.246 3.084 3.391 0.821 14 20 [**********-**+******] 1
583 1 35 TRP HA 1 35 TRP HE3 0.000 . 2.430 2.414 2.240 2.799 0.369 15 0 "[ . 1 . 2]" 1
584 1 35 TRP QB 1 35 TRP HD1 0.000 . 3.150 2.510 2.477 2.562 . 0 0 "[ . 1 . 2]" 1
585 1 35 TRP QB 1 35 TRP HE3 0.000 . 3.160 2.808 2.625 2.957 . 0 0 "[ . 1 . 2]" 1
586 1 35 TRP QB 1 38 TRP H 0.000 . 3.030 3.282 3.080 3.593 0.563 5 3 "[ + *1 -. 2]" 1
587 1 35 TRP QB 1 38 TRP QB 0.000 . 2.560 1.732 1.624 1.929 . 0 0 "[ . 1 . 2]" 1
588 1 35 TRP QB 1 38 TRP HD1 0.000 . 2.850 2.496 2.161 2.719 . 0 0 "[ . 1 . 2]" 1
589 1 35 TRP QB 1 38 TRP HE3 0.000 . 5.270 5.095 4.802 5.245 . 0 0 "[ . 1 . 2]" 1
590 1 35 TRP QB 1 43 SER HA 0.000 . 3.660 4.185 4.136 4.238 0.578 11 18 [****.*-***+***.*****] 1
591 1 35 TRP HD1 1 38 TRP QB 0.000 . 3.250 3.462 3.160 3.849 0.599 17 3 "[ - * . + 2]" 1
592 1 35 TRP HD1 1 38 TRP HD1 0.000 . 4.350 5.311 4.995 5.905 1.555 17 20 [*****-**********+***] 1
593 1 35 TRP HD1 1 42 TYR QB 0.000 . 3.640 3.468 3.055 4.179 0.539 15 1 "[ . 1 + 2]" 1
594 1 35 TRP HD1 1 43 SER HA 0.000 . 3.080 2.581 2.244 2.972 . 0 0 "[ . 1 . 2]" 1
595 1 35 TRP HD1 1 43 SER QB 0.000 . 3.900 4.624 4.319 4.991 1.091 18 19 [*********1****-**+**] 1
596 1 35 TRP HD1 1 44 THR MG 0.000 . 3.660 2.909 2.696 3.091 . 0 0 "[ . 1 . 2]" 1
597 1 35 TRP HE3 1 38 TRP HD1 0.000 . 3.530 4.796 4.154 5.103 1.573 18 20 [**************-**+**] 1
598 1 35 TRP HH2 1 35 TRP HZ3 0.000 . 2.450 2.440 2.436 2.446 . 0 0 "[ . 1 . 2]" 1
599 1 35 TRP HH2 1 46 GLU QG 0.000 . 4.810 3.586 2.766 4.989 0.179 18 0 "[ . 1 . 2]" 1
600 1 36 LYS HA 1 36 LYS QB 0.000 . 2.350 2.371 2.306 2.535 0.185 14 0 "[ . 1 . 2]" 1
601 1 36 LYS HA 1 36 LYS QD 0.000 . 2.720 3.535 3.343 3.584 0.864 12 20 [********-**+********] 1
602 1 36 LYS HA 1 36 LYS QE 0.000 . 3.610 4.295 1.963 4.514 0.904 18 19 "[ *******-********+**]" 1
603 1 36 LYS HA 1 36 LYS QG 0.000 . 3.260 2.341 2.008 2.713 . 0 0 "[ . 1 . 2]" 1
604 1 36 LYS HA 1 38 TRP H 0.000 . 4.100 3.608 3.237 3.899 . 0 0 "[ . 1 . 2]" 1
605 1 36 LYS QB 1 36 LYS QD 0.000 . 2.460 2.202 2.101 2.301 . 0 0 "[ . 1 . 2]" 1
606 1 36 LYS QB 1 36 LYS QE 0.000 . 2.060 2.120 1.876 2.463 0.403 1 0 "[ . 1 . 2]" 1
607 1 36 LYS QB 1 36 LYS QG 0.000 . 2.390 2.047 2.017 2.057 . 0 0 "[ . 1 . 2]" 1
608 1 36 LYS QD 1 36 LYS QE 0.000 . 2.150 2.045 2.009 2.088 . 0 0 "[ . 1 . 2]" 1
609 1 36 LYS QD 1 36 LYS QG 0.000 . 2.320 2.010 2.006 2.016 . 0 0 "[ . 1 . 2]" 1
610 1 36 LYS QE 1 36 LYS QG 0.000 . 2.430 2.501 2.204 2.728 0.298 3 0 "[ . 1 . 2]" 1
611 1 37 GLY QA 1 38 TRP H 0.000 . 3.810 2.873 2.740 2.930 . 0 0 "[ . 1 . 2]" 1
612 1 37 GLY QA 1 38 TRP HD1 0.000 . 3.480 3.596 3.198 4.326 0.846 14 2 "[ - 1 +. 2]" 1
613 1 38 TRP H 1 38 TRP HA 0.000 . 3.040 2.926 2.910 2.939 . 0 0 "[ . 1 . 2]" 1
614 1 38 TRP H 1 38 TRP QB 0.000 . 3.310 2.598 2.324 2.713 . 0 0 "[ . 1 . 2]" 1
615 1 38 TRP H 1 38 TRP HD1 0.000 . 3.460 3.262 2.646 3.655 0.195 6 0 "[ . 1 . 2]" 1
616 1 38 TRP H 1 39 PRO QD 0.000 . 3.990 4.323 4.274 4.385 0.395 17 0 "[ . 1 . 2]" 1
617 1 38 TRP HA 1 38 TRP QB 0.000 . 2.750 2.410 2.380 2.435 . 0 0 "[ . 1 . 2]" 1
618 1 38 TRP HA 1 38 TRP HD1 0.000 . 3.080 3.998 3.865 4.136 1.056 14 20 [*************+***-**] 1
619 1 38 TRP HA 1 38 TRP HE3 0.000 . 3.380 3.352 3.023 3.576 0.196 4 0 "[ . 1 . 2]" 1
620 1 38 TRP HA 1 39 PRO QD 0.000 . 2.060 1.868 1.774 1.951 . 0 0 "[ . 1 . 2]" 1
621 1 38 TRP HA 1 39 PRO QG 0.000 . 3.380 3.741 3.615 3.903 0.523 16 1 "[ . 1 .+ 2]" 1
622 1 38 TRP QB 1 38 TRP HD1 0.000 . 2.870 2.652 2.573 2.713 . 0 0 "[ . 1 . 2]" 1
623 1 38 TRP QB 1 38 TRP HE3 0.000 . 3.270 2.506 2.445 2.627 . 0 0 "[ . 1 . 2]" 1
624 1 38 TRP QB 1 39 PRO QD 0.000 . 3.010 2.315 2.144 2.518 . 0 0 "[ . 1 . 2]" 1
625 1 38 TRP QB 1 39 PRO QG 0.000 . 3.930 4.159 3.934 4.335 0.405 14 0 "[ . 1 . 2]" 1
626 1 38 TRP HE3 1 39 PRO QD 0.000 . 2.910 2.244 1.991 2.590 . 0 0 "[ . 1 . 2]" 1
627 1 38 TRP HE3 1 42 TYR QB 0.000 . 2.480 2.733 2.580 2.881 0.401 2 0 "[ . 1 . 2]" 1
628 1 38 TRP HE3 1 42 TYR QE 0.000 . 2.980 3.851 3.707 3.958 0.978 6 20 [*-***+**************] 1
629 1 38 TRP HH2 1 38 TRP HZ3 0.000 . 2.420 2.442 2.441 2.443 0.023 5 0 "[ . 1 . 2]" 1
630 1 39 PRO HA 1 39 PRO QB 0.000 . 2.320 2.192 2.164 2.217 . 0 0 "[ . 1 . 2]" 1
631 1 39 PRO HA 1 39 PRO QD 0.000 . 2.780 3.456 3.421 3.474 0.694 9 20 [********+********-**] 1
632 1 39 PRO HA 1 39 PRO QG 0.000 . 2.940 3.188 2.934 3.505 0.565 9 5 "[ . +1* - ** 2]" 1
633 1 39 PRO HA 1 41 LYS QE 0.000 . 3.270 4.268 3.788 4.561 1.291 18 20 [*****************+*-] 1
634 1 39 PRO HA 1 41 LYS QG 0.000 . 4.530 5.448 5.045 6.406 1.876 20 20 [****************-**+] 1
635 1 39 PRO QB 1 39 PRO QD 0.000 . 2.530 2.823 2.711 2.974 0.444 13 0 "[ . 1 . 2]" 1
636 1 39 PRO QB 1 42 TYR QD 0.000 . 3.130 2.772 2.175 3.400 0.270 9 0 "[ . 1 . 2]" 1
637 1 39 PRO QB 1 42 TYR QE 0.000 . 3.160 3.801 3.726 3.883 0.723 5 20 [****+*******-*******] 1
638 1 39 PRO QD 1 39 PRO QG 0.000 . 2.060 1.953 1.918 1.970 . 0 0 "[ . 1 . 2]" 1
639 1 39 PRO QD 1 41 LYS QE 0.000 . 3.580 4.043 3.778 4.352 0.772 20 11 "[ ***-** 1 * .** *+]" 1
640 1 39 PRO QD 1 42 TYR QB 0.000 . 3.130 2.537 2.329 2.745 . 0 0 "[ . 1 . 2]" 1
641 1 39 PRO QD 1 42 TYR QD 0.000 . 2.560 1.875 1.749 2.150 . 0 0 "[ . 1 . 2]" 1
642 1 39 PRO QD 1 42 TYR QE 0.000 . 2.940 3.316 3.091 3.650 0.710 18 3 "[ - .* 1 . + 2]" 1
643 1 39 PRO QG 1 41 LYS QB 0.000 . 3.240 3.361 2.422 3.805 0.565 18 1 "[ . 1 . + 2]" 1
644 1 39 PRO QG 1 41 LYS QE 0.000 . 3.020 2.587 1.978 3.193 0.173 20 0 "[ . 1 . 2]" 1
645 1 39 PRO QG 1 42 TYR QB 0.000 . 3.630 4.006 3.726 4.410 0.780 1 4 "[+* . * . -]" 1
646 1 39 PRO QG 1 42 TYR QD 0.000 . 2.880 2.175 1.663 2.667 . 0 0 "[ . 1 . 2]" 1
647 1 39 PRO QG 1 42 TYR QE 0.000 . 2.850 2.368 1.903 2.683 . 0 0 "[ . 1 . 2]" 1
648 1 41 LYS HA 1 41 LYS QB 0.000 . 2.380 2.369 2.224 2.444 0.064 20 0 "[ . 1 . 2]" 1
649 1 41 LYS HA 1 41 LYS QD 0.000 . 3.220 3.999 2.969 4.271 1.051 18 17 "[ ********-***** *+*2]" 1
650 1 41 LYS HA 1 41 LYS QE 0.000 . 3.450 4.311 4.046 4.369 0.919 4 20 [***+***************-] 1
651 1 41 LYS HA 1 41 LYS QG 0.000 . 2.430 2.441 2.133 2.760 0.330 18 0 "[ . 1 . 2]" 1
652 1 41 LYS HA 1 42 TYR HA 0.000 . 3.230 4.585 4.570 4.611 1.381 18 20 [************-****+**] 1
653 1 41 LYS QB 1 41 LYS QD 0.000 . 2.390 2.381 2.304 2.644 0.254 20 0 "[ . 1 . 2]" 1
654 1 41 LYS QB 1 41 LYS QE 0.000 . 3.110 1.936 1.820 2.052 . 0 0 "[ . 1 . 2]" 1
655 1 41 LYS QB 1 41 LYS QG 0.000 . 2.390 2.066 2.005 2.085 . 0 0 "[ . 1 . 2]" 1
656 1 41 LYS QB 1 42 TYR QD 0.000 . 3.570 2.925 2.709 3.485 . 0 0 "[ . 1 . 2]" 1
657 1 41 LYS QD 1 41 LYS QE 0.000 . 2.470 2.082 2.025 2.093 . 0 0 "[ . 1 . 2]" 1
658 1 41 LYS QD 1 41 LYS QG 0.000 . 2.040 2.007 1.989 2.017 . 0 0 "[ . 1 . 2]" 1
659 1 41 LYS QE 1 41 LYS QG 0.000 . 2.690 2.295 2.249 2.377 . 0 0 "[ . 1 . 2]" 1
660 1 42 TYR HA 1 42 TYR QB 0.000 . 2.490 2.413 2.351 2.489 . 0 0 "[ . 1 . 2]" 1
661 1 42 TYR HA 1 42 TYR QD 0.000 . 3.110 2.951 2.803 3.074 . 0 0 "[ . 1 . 2]" 1
662 1 42 TYR HA 1 42 TYR QE 0.000 . 3.820 4.588 4.485 4.717 0.897 15 20 [**************+**-**] 1
663 1 42 TYR HA 1 44 THR MG 0.000 . 3.370 4.315 4.174 4.451 1.081 15 20 [************-*+*****] 1
664 1 42 TYR QB 1 42 TYR QD 0.000 . 2.290 2.125 2.122 2.127 . 0 0 "[ . 1 . 2]" 1
665 1 42 TYR QB 1 43 SER H 0.000 . 3.060 3.540 3.465 3.596 0.536 19 8 "[ *.* 1 * .**-+*]" 1
666 1 43 SER H 1 43 SER HG 0.000 . 3.850 3.035 2.095 3.659 . 0 0 "[ . 1 . 2]" 1
667 1 43 SER H 1 44 THR H 0.000 . 3.720 4.668 4.658 4.686 0.966 13 20 [-***********+*******] 1
668 1 43 SER HA 1 43 SER QB 0.000 . 2.280 2.356 2.313 2.389 0.109 15 0 "[ . 1 . 2]" 1
669 1 43 SER QB 1 44 THR HA 0.000 . 3.090 3.980 3.941 4.017 0.927 6 20 [*****+************-*] 1
670 1 44 THR H 1 44 THR HG1 0.000 . 3.300 3.434 2.303 3.879 0.579 11 3 "[ .- 1+ .* 2]" 1
671 1 44 THR HA 1 44 THR HG1 0.000 . 3.780 3.822 3.451 4.077 0.297 10 0 "[ . 1 . 2]" 1
672 1 44 THR HA 1 44 THR MG 0.000 . 1.960 2.365 2.346 2.396 0.436 10 0 "[ . 1 . 2]" 1
673 1 44 THR HA 1 45 TRP H 0.000 . 3.020 2.299 2.201 2.403 . 0 0 "[ . 1 . 2]" 1
674 1 44 THR HA 1 45 TRP HD1 0.000 . 2.950 4.060 4.011 4.099 1.149 15 20 [************-*+*****] 1
675 1 44 THR HB 1 44 THR MG 0.000 . 2.080 2.130 2.123 2.133 0.053 18 0 "[ . 1 . 2]" 1
676 1 44 THR HB 1 45 TRP H 0.000 . 3.820 2.578 2.397 2.829 . 0 0 "[ . 1 . 2]" 1
677 1 44 THR HB 1 46 GLU QG 0.000 . 3.580 3.868 3.492 4.546 0.966 18 3 "[ *. 1 . + -]" 1
678 1 44 THR HG1 1 44 THR MG 0.000 . 3.390 2.610 2.051 3.049 . 0 0 "[ . 1 . 2]" 1
679 1 44 THR MG 1 45 TRP H 0.000 . 4.990 3.805 3.719 3.921 . 0 0 "[ . 1 . 2]" 1
680 1 45 TRP H 1 45 TRP HA 0.000 . 2.870 2.919 2.892 2.937 0.067 4 0 "[ . 1 . 2]" 1
681 1 45 TRP HA 1 45 TRP HD1 0.000 . 4.800 4.202 4.163 4.240 . 0 0 "[ . 1 . 2]" 1
682 1 45 TRP HA 1 45 TRP HE3 0.000 . 2.950 2.879 2.828 2.940 . 0 0 "[ . 1 . 2]" 1
683 1 45 TRP HA 1 45 TRP HZ3 0.000 . 4.070 4.971 4.923 5.032 0.962 17 20 [****************+*-*] 1
684 1 45 TRP HA 1 46 GLU H 0.000 . 2.860 2.162 2.124 2.187 . 0 0 "[ . 1 . 2]" 1
685 1 45 TRP QB 1 45 TRP HD1 0.000 . 2.940 2.553 2.543 2.565 . 0 0 "[ . 1 . 2]" 1
686 1 45 TRP QB 1 45 TRP HE3 0.000 . 2.790 2.667 2.630 2.697 . 0 0 "[ . 1 . 2]" 1
687 1 45 TRP QB 1 46 GLU H 0.000 . 3.700 3.537 2.973 3.653 . 0 0 "[ . 1 . 2]" 1
688 1 45 TRP HE3 1 46 GLU H 0.000 . 4.110 3.818 3.093 3.996 . 0 0 "[ . 1 . 2]" 1
689 1 46 GLU H 1 46 GLU QB 0.000 . 2.930 2.645 2.423 3.299 0.369 18 0 "[ . 1 . 2]" 1
690 1 46 GLU H 1 46 GLU QG 0.000 . 3.230 2.569 2.021 2.871 . 0 0 "[ . 1 . 2]" 1
691 1 46 GLU HA 1 47 PRO HD2 0.000 . 2.670 2.207 1.824 2.492 . 0 0 "[ . 1 . 2]" 1
692 1 46 GLU HA 1 47 PRO HD3 0.000 . 2.690 2.298 2.014 2.712 0.022 11 0 "[ . 1 . 2]" 1
693 1 46 GLU QB 1 46 GLU QG 0.000 . 2.130 2.004 1.977 2.085 . 0 0 "[ . 1 . 2]" 1
694 1 46 GLU QB 1 51 ILE MD 0.000 . 3.180 2.188 1.689 3.771 0.591 8 1 "[ . + 1 . 2]" 1
695 1 47 PRO HA 1 47 PRO QB 0.000 . 2.410 2.212 2.169 2.242 . 0 0 "[ . 1 . 2]" 1
696 1 47 PRO HA 1 47 PRO QG 0.000 . 2.850 3.066 2.811 3.487 0.637 20 7 "[ *-* ** .* +]" 1
697 1 47 PRO HA 1 48 GLU H 0.000 . 2.110 2.191 2.113 2.234 0.124 20 0 "[ . 1 . 2]" 1
698 1 47 PRO HA 1 48 GLU QB 0.000 . 3.220 4.052 3.954 4.090 0.870 7 20 [******+**-**********] 1
699 1 47 PRO HA 1 49 GLU H 0.000 . 3.460 3.777 3.658 3.985 0.525 19 1 "[ . 1 . +2]" 1
700 1 47 PRO QB 1 47 PRO HD3 0.000 . 3.080 3.302 2.881 3.520 0.440 14 0 "[ . 1 . 2]" 1
701 1 47 PRO HD3 1 47 PRO QG 0.000 . 2.720 2.206 2.180 2.251 . 0 0 "[ . 1 . 2]" 1
702 1 47 PRO QG 1 48 GLU H 0.000 . 3.630 4.518 4.405 4.720 1.090 10 20 [*********+*-********] 1
703 1 47 PRO QG 1 49 GLU H 0.000 . 5.010 4.234 3.582 4.650 . 0 0 "[ . 1 . 2]" 1
704 1 47 PRO QG 1 49 GLU QB 0.000 . 3.600 4.117 3.485 4.697 1.097 19 11 "[** .- **1 ** * **+2]" 1
705 1 48 GLU H 1 48 GLU HA 0.000 . 2.770 2.779 2.751 2.813 0.043 15 0 "[ . 1 . 2]" 1
706 1 48 GLU H 1 48 GLU QB 0.000 . 2.400 2.181 1.982 2.205 . 0 0 "[ . 1 . 2]" 1
707 1 48 GLU H 1 48 GLU QG 0.000 . 3.600 3.948 3.472 4.003 0.403 8 0 "[ . 1 . 2]" 1
708 1 48 GLU H 1 49 GLU H 0.000 . 3.070 2.701 2.588 2.780 . 0 0 "[ . 1 . 2]" 1
709 1 48 GLU H 1 49 GLU HA 0.000 . 3.740 5.273 5.178 5.334 1.594 16 20 [**************-+****] 1
710 1 48 GLU HA 1 48 GLU QB 0.000 . 2.430 2.323 2.254 2.500 0.070 20 0 "[ . 1 . 2]" 1
711 1 48 GLU HA 1 48 GLU QG 0.000 . 2.220 2.485 2.385 2.634 0.414 5 0 "[ . 1 . 2]" 1
712 1 48 GLU HA 1 49 GLU H 0.000 . 3.930 3.410 3.334 3.482 . 0 0 "[ . 1 . 2]" 1
713 1 48 GLU HA 1 57 VAL QG 0.000 . 2.930 3.314 3.209 3.574 0.644 20 1 "[ . 1 . +]" 1
714 1 48 GLU QB 1 48 GLU QG 0.000 . 2.060 2.007 1.960 2.040 . 0 0 "[ . 1 . 2]" 1
715 1 48 GLU QB 1 49 GLU H 0.000 . 3.790 3.085 2.890 3.294 . 0 0 "[ . 1 . 2]" 1
716 1 48 GLU QG 1 57 VAL QG 0.000 . 3.040 2.372 2.179 2.778 . 0 0 "[ . 1 . 2]" 1
717 1 49 GLU H 1 49 GLU HA 0.000 . 3.000 2.895 2.866 2.930 . 0 0 "[ . 1 . 2]" 1
718 1 49 GLU H 1 49 GLU QB 0.000 . 2.780 2.407 2.111 2.513 . 0 0 "[ . 1 . 2]" 1
719 1 49 GLU H 1 49 GLU QG 0.000 . 2.790 2.542 2.264 3.665 0.875 12 1 "[ . 1 + . 2]" 1
720 1 49 GLU H 1 50 HIS H 0.000 . 5.200 2.347 2.241 2.490 . 0 0 "[ . 1 . 2]" 1
721 1 49 GLU HA 1 49 GLU QB 0.000 . 2.400 2.357 2.212 2.415 0.015 4 0 "[ . 1 . 2]" 1
722 1 49 GLU HA 1 49 GLU QG 0.000 . 2.220 2.473 2.372 2.771 0.551 12 2 "[ -. 1 + . 2]" 1
723 1 49 GLU HA 1 50 HIS HA 0.000 . 5.820 4.673 4.470 4.748 . 0 0 "[ . 1 . 2]" 1
724 1 49 GLU QB 1 49 GLU QG 0.000 . 1.970 2.072 1.995 2.087 0.117 19 0 "[ . 1 . 2]" 1
725 1 50 HIS H 1 50 HIS QB 0.000 . 3.190 2.310 2.205 2.439 . 0 0 "[ . 1 . 2]" 1
726 1 50 HIS H 1 50 HIS HE1 0.000 . 4.780 5.070 4.673 6.109 1.329 15 6 "[ * - 1 + * **]" 1
727 1 50 HIS H 1 51 ILE H 0.000 . 3.300 2.396 2.030 2.581 . 0 0 "[ . 1 . 2]" 1
728 1 50 HIS HA 1 50 HIS QB 0.000 . 2.490 2.440 2.403 2.501 0.011 15 0 "[ . 1 . 2]" 1
729 1 50 HIS HA 1 50 HIS HD2 0.000 . 2.730 3.560 2.259 3.768 1.038 16 19 "[** ************+-***]" 1
730 1 50 HIS HA 1 52 LEU QD 0.000 . 2.890 3.670 3.562 3.778 0.888 19 20 [*************-****+*] 1
731 1 50 HIS HA 1 52 LEU HG 0.000 . 4.060 4.662 4.509 4.890 0.830 19 16 "[******** **- * **+*]" 1
732 1 50 HIS QB 1 50 HIS HD2 0.000 . 2.700 2.679 2.601 3.158 0.458 3 0 "[ . 1 . 2]" 1
733 1 50 HIS QB 1 51 ILE H 0.000 . 3.060 2.900 2.748 3.175 0.115 15 0 "[ . 1 . 2]" 1
734 1 50 HIS QB 2 12 ARG QD 0.000 . 2.730 2.235 1.812 2.721 . 0 0 "[ . 1 . 2]" 1
735 1 51 ILE H 1 51 ILE HB 0.000 . 3.830 2.725 2.583 2.781 . 0 0 "[ . 1 . 2]" 1
736 1 51 ILE H 1 51 ILE QG 0.000 . 4.860 1.925 1.821 2.422 . 0 0 "[ . 1 . 2]" 1
737 1 51 ILE H 1 51 ILE MG 0.000 . 4.160 3.785 3.771 3.814 . 0 0 "[ . 1 . 2]" 1
738 1 51 ILE HA 1 51 ILE HB 0.000 . 2.510 3.030 3.023 3.044 0.534 15 20 [*************-+*****] 1
739 1 51 ILE HA 1 51 ILE MD 0.000 . 3.120 2.358 2.052 3.620 0.500 15 1 "[ . 1 + 2]" 1
740 1 51 ILE HA 1 51 ILE QG 0.000 . 2.600 2.881 2.302 3.046 0.446 12 0 "[ . 1 . 2]" 1
741 1 51 ILE HA 1 51 ILE MG 0.000 . 2.870 2.299 2.238 2.451 . 0 0 "[ . 1 . 2]" 1
742 1 51 ILE HA 1 52 LEU H 0.000 . 3.060 2.117 2.092 2.151 . 0 0 "[ . 1 . 2]" 1
743 1 51 ILE HA 1 52 LEU QB 0.000 . 3.850 4.438 4.332 4.503 0.653 14 19 [*************+.*-***] 1
744 1 51 ILE HA 1 52 LEU QD 0.000 . 3.520 4.155 4.097 4.210 0.690 4 20 [***+***-************] 1
745 1 51 ILE HA 1 52 LEU HG 0.000 . 2.680 3.618 3.541 3.679 0.999 4 20 [***+*********-******] 1
746 1 51 ILE HA 1 53 ASP H 0.000 . 3.800 3.401 3.337 3.497 . 0 0 "[ . 1 . 2]" 1
747 1 51 ILE HA 1 56 LEU QD 0.000 . 3.770 3.969 3.764 4.174 0.404 10 0 "[ . 1 . 2]" 1
748 1 51 ILE HA 1 57 VAL QG 0.000 . 4.290 4.916 4.743 5.113 0.823 11 19 "[**********+-***** **]" 1
749 1 51 ILE HB 1 51 ILE MD 0.000 . 2.820 3.148 2.676 3.235 0.415 13 0 "[ . 1 . 2]" 1
750 1 51 ILE HB 1 51 ILE QG 0.000 . 2.420 2.189 2.168 2.239 . 0 0 "[ . 1 . 2]" 1
751 1 51 ILE HB 1 51 ILE MG 0.000 . 2.110 2.122 2.114 2.128 0.018 15 0 "[ . 1 . 2]" 1
752 1 51 ILE HB 1 57 VAL QG 0.000 . 2.990 2.783 2.559 2.979 . 0 0 "[ . 1 . 2]" 1
753 1 51 ILE MD 1 51 ILE MG 0.000 . 2.200 2.006 1.678 2.125 . 0 0 "[ . 1 . 2]" 1
754 1 51 ILE MD 1 56 LEU QB 0.000 . 3.690 3.536 2.656 3.791 0.101 10 0 "[ . 1 . 2]" 1
755 1 51 ILE QG 1 51 ILE MG 0.000 . 2.640 2.378 2.299 2.558 . 0 0 "[ . 1 . 2]" 1
756 1 51 ILE MG 1 52 LEU H 0.000 . 4.290 3.226 3.077 3.368 . 0 0 "[ . 1 . 2]" 1
757 1 51 ILE MG 1 53 ASP H 0.000 . 3.780 1.927 1.606 2.116 . 0 0 "[ . 1 . 2]" 1
758 1 51 ILE MG 1 54 PRO HA 0.000 . 3.630 3.653 3.275 3.831 0.201 17 0 "[ . 1 . 2]" 1
759 1 51 ILE MG 1 56 LEU QB 0.000 . 2.490 2.205 1.990 2.385 . 0 0 "[ . 1 . 2]" 1
760 1 51 ILE MG 1 56 LEU QD 0.000 . 2.610 2.162 1.843 2.335 . 0 0 "[ . 1 . 2]" 1
761 1 51 ILE MG 1 56 LEU HG 0.000 . 3.520 4.012 3.719 4.209 0.689 10 11 "[***-* +** *. * *]" 1
762 1 51 ILE MG 1 57 VAL HB 0.000 . 3.390 4.225 4.040 4.406 1.016 17 20 [**************-*+***] 1
763 1 52 LEU H 1 52 LEU HG 0.000 . 3.920 1.889 1.805 1.919 . 0 0 "[ . 1 . 2]" 1
764 1 52 LEU H 1 53 ASP H 0.000 . 4.000 2.797 2.669 2.893 . 0 0 "[ . 1 . 2]" 1
765 1 52 LEU HA 1 52 LEU QB 0.000 . 2.240 2.299 2.280 2.318 0.078 19 0 "[ . 1 . 2]" 1
766 1 52 LEU HA 1 52 LEU QD 0.000 . 1.990 2.328 2.224 2.384 0.394 6 0 "[ . 1 . 2]" 1
767 1 52 LEU HA 1 52 LEU HG 0.000 . 2.600 3.077 3.032 3.120 0.520 17 4 "[ . - 1 ** + 2]" 1
768 1 52 LEU HA 1 53 ASP HA 0.000 . 4.250 4.440 4.414 4.516 0.266 17 0 "[ . 1 . 2]" 1
769 1 52 LEU HA 2 11 ALA HA 0.000 . 3.290 4.490 3.990 4.660 1.370 20 20 [***-***************+] 1
770 1 52 LEU QB 1 52 LEU QD 0.000 . 1.930 1.880 1.867 1.891 . 0 0 "[ . 1 . 2]" 1
771 1 52 LEU QB 1 52 LEU HG 0.000 . 2.020 2.424 2.402 2.435 0.415 4 0 "[ . 1 . 2]" 1
772 1 52 LEU QB 1 53 ASP H 0.000 . 5.740 3.376 2.892 3.454 . 0 0 "[ . 1 . 2]" 1
773 1 52 LEU MD1 1 52 LEU MD2 0.000 . 3.000 2.070 2.056 2.081 . 0 0 "[ . 1 . 2]" 1
774 1 52 LEU QD 1 52 LEU HG 0.000 . 1.890 1.875 1.870 1.878 . 0 0 "[ . 1 . 2]" 1
775 1 52 LEU QD 2 11 ALA MB 0.000 . 3.270 3.371 3.131 3.592 0.322 15 0 "[ . 1 . 2]" 1
776 1 52 LEU HG 2 12 ARG QD 0.000 . 3.100 3.959 3.401 4.357 1.257 15 17 "[******* *-****+** *2]" 1
777 1 53 ASP HA 1 54 PRO HA 0.000 . 4.760 4.540 4.528 4.553 . 0 0 "[ . 1 . 2]" 1
778 1 53 ASP HA 1 54 PRO QD 0.000 . 2.050 1.918 1.886 1.941 . 0 0 "[ . 1 . 2]" 1
779 1 53 ASP HA 1 54 PRO QG 0.000 . 2.990 3.807 3.778 3.826 0.836 15 20 [*********-****+*****] 1
780 1 53 ASP HA 1 55 ARG H 0.000 . 4.470 3.421 3.251 3.663 . 0 0 "[ . 1 . 2]" 1
781 1 53 ASP QB 1 55 ARG H 0.000 . 5.440 3.165 2.564 3.941 . 0 0 "[ . 1 . 2]" 1
782 1 53 ASP QB 1 56 LEU QB 0.000 . 3.200 3.065 2.860 3.740 0.540 15 1 "[ . 1 + 2]" 1
783 1 53 ASP QB 1 56 LEU QD 0.000 . 2.930 1.952 1.668 2.241 . 0 0 "[ . 1 . 2]" 1
784 1 53 ASP QB 1 56 LEU HG 0.000 . 2.430 2.753 2.472 2.963 0.533 16 1 "[ . 1 .+ 2]" 1
785 1 54 PRO HA 1 54 PRO QB 0.000 . 2.180 2.208 2.204 2.213 0.033 15 0 "[ . 1 . 2]" 1
786 1 54 PRO HA 1 54 PRO QD 0.000 . 3.040 3.459 3.444 3.472 0.432 10 0 "[ . 1 . 2]" 1
787 1 54 PRO HA 1 54 PRO QG 0.000 . 2.750 3.014 2.980 3.062 0.312 10 0 "[ . 1 . 2]" 1
788 1 54 PRO HA 1 55 ARG H 0.000 . 3.700 3.457 3.367 3.542 . 0 0 "[ . 1 . 2]" 1
789 1 54 PRO HA 1 57 VAL H 0.000 . 5.070 2.993 2.902 3.109 . 0 0 "[ . 1 . 2]" 1
790 1 54 PRO HA 1 57 VAL HB 0.000 . 2.450 2.401 2.342 2.513 0.063 20 0 "[ . 1 . 2]" 1
791 1 54 PRO HA 1 57 VAL QG 0.000 . 3.090 2.597 2.540 2.647 . 0 0 "[ . 1 . 2]" 1
792 1 54 PRO QB 1 54 PRO QD 0.000 . 2.280 2.721 2.709 2.733 0.453 18 0 "[ . 1 . 2]" 1
793 1 54 PRO QB 1 54 PRO QG 0.000 . 2.190 1.973 1.967 1.978 . 0 0 "[ . 1 . 2]" 1
794 1 54 PRO QB 1 55 ARG H 0.000 . 3.440 3.094 2.755 3.313 . 0 0 "[ . 1 . 2]" 1
795 1 54 PRO QB 1 55 ARG HA 0.000 . 2.930 3.894 3.788 3.944 1.014 16 20 [***************+***-] 1
796 1 54 PRO QD 1 54 PRO QG 0.000 . 1.840 1.969 1.966 1.970 0.130 8 0 "[ . 1 . 2]" 1
797 1 54 PRO QD 1 55 ARG H 0.000 . 2.820 2.523 2.448 2.702 . 0 0 "[ . 1 . 2]" 1
798 1 54 PRO QG 1 55 ARG H 0.000 . 3.830 3.919 3.749 4.080 0.250 16 0 "[ . 1 . 2]" 1
799 1 55 ARG H 1 55 ARG HA 0.000 . 2.640 2.808 2.761 2.844 0.204 18 0 "[ . 1 . 2]" 1
800 1 55 ARG H 1 55 ARG QB 0.000 . 2.520 2.215 2.048 2.487 . 0 0 "[ . 1 . 2]" 1
801 1 55 ARG H 1 55 ARG QD 0.000 . 3.780 3.181 1.884 4.460 0.680 15 5 "[**- . 1 * + 2]" 1
802 1 55 ARG H 1 55 ARG QG 0.000 . 2.920 3.174 2.384 3.528 0.608 12 5 "[ - * 1*+ *. 2]" 1
803 1 55 ARG H 1 56 LEU H 0.000 . 3.080 2.566 2.426 2.808 . 0 0 "[ . 1 . 2]" 1
804 1 55 ARG H 1 58 MET QB 0.000 . 3.770 4.744 4.675 5.027 1.257 20 20 [*******-***********+] 1
805 1 55 ARG HA 1 55 ARG QB 0.000 . 2.530 2.477 2.358 2.540 0.010 15 0 "[ . 1 . 2]" 1
806 1 55 ARG HA 1 55 ARG QD 0.000 . 2.430 2.534 2.059 3.123 0.693 4 3 "[ +.* 1 . - 2]" 1
807 1 55 ARG HA 1 55 ARG QG 0.000 . 2.040 2.388 2.325 2.483 0.443 10 0 "[ . 1 . 2]" 1
808 1 55 ARG HA 1 56 LEU H 0.000 . 2.880 3.497 3.470 3.538 0.658 20 20 [***********-*******+] 1
809 1 55 ARG HA 1 57 VAL H 0.000 . 4.760 4.391 4.165 4.662 . 0 0 "[ . 1 . 2]" 1
810 1 55 ARG HA 1 58 MET QB 0.000 . 2.500 2.722 2.571 2.856 0.356 15 0 "[ . 1 . 2]" 1
811 1 55 ARG HA 1 58 MET ME 0.000 . 3.660 4.981 4.835 5.030 1.370 15 20 [**************+****-] 1
812 1 55 ARG HA 2 9 LYS QG 0.000 . 3.940 4.549 4.162 4.918 0.978 16 12 "[ **** ***- *+* *2]" 1
813 1 55 ARG QB 1 55 ARG QD 0.000 . 2.540 2.446 2.029 2.725 0.185 1 0 "[ . 1 . 2]" 1
814 1 55 ARG QB 1 55 ARG QG 0.000 . 2.410 2.008 1.998 2.024 . 0 0 "[ . 1 . 2]" 1
815 1 55 ARG QB 1 56 LEU H 0.000 . 2.610 2.689 2.532 2.797 0.187 8 0 "[ . 1 . 2]" 1
816 1 55 ARG QB 2 9 LYS QG 0.000 . 3.210 1.993 1.816 2.185 . 0 0 "[ . 1 . 2]" 1
817 1 55 ARG QD 1 55 ARG QG 0.000 . 1.960 2.047 1.999 2.091 0.131 3 0 "[ . 1 . 2]" 1
818 1 55 ARG QD 2 9 LYS QG 0.000 . 3.480 4.000 3.372 4.559 1.079 14 10 "[* * * ***-+* *2]" 1
819 1 55 ARG QG 2 9 LYS QG 0.000 . 3.270 3.248 3.073 3.385 0.115 14 0 "[ . 1 . 2]" 1
820 1 56 LEU H 1 56 LEU HA 0.000 . 2.890 2.818 2.781 2.837 . 0 0 "[ . 1 . 2]" 1
821 1 56 LEU H 1 56 LEU QB 0.000 . 2.510 2.240 2.145 2.321 . 0 0 "[ . 1 . 2]" 1
822 1 56 LEU H 1 56 LEU QD 0.000 . 3.420 3.170 2.967 3.325 . 0 0 "[ . 1 . 2]" 1
823 1 56 LEU H 1 56 LEU HG 0.000 . 2.820 2.664 2.360 2.898 0.078 12 0 "[ . 1 . 2]" 1
824 1 56 LEU H 1 57 VAL H 0.000 . 2.980 2.581 2.494 2.699 . 0 0 "[ . 1 . 2]" 1
825 1 56 LEU H 1 57 VAL HB 0.000 . 3.500 4.581 4.494 4.690 1.190 20 20 [******-************+] 1
826 1 56 LEU HA 1 56 LEU QB 0.000 . 2.440 2.449 2.383 2.490 0.050 20 0 "[ . 1 . 2]" 1
827 1 56 LEU HA 1 56 LEU QD 0.000 . 3.000 2.196 2.072 2.358 . 0 0 "[ . 1 . 2]" 1
828 1 56 LEU HA 1 56 LEU HG 0.000 . 2.420 2.717 2.642 2.790 0.370 13 0 "[ . 1 . 2]" 1
829 1 56 LEU HA 1 59 ALA H 0.000 . 3.260 4.048 3.828 4.366 1.106 19 20 [***********-******+*] 1
830 1 56 LEU HA 1 59 ALA MB 0.000 . 2.600 2.973 2.725 3.207 0.607 20 3 "[ . 1 .- *+]" 1
831 1 56 LEU HA 1 60 TYR H 0.000 . 5.180 4.252 4.028 4.429 . 0 0 "[ . 1 . 2]" 1
832 1 56 LEU QB 1 56 LEU QD 0.000 . 2.160 1.892 1.852 1.907 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU QB 1 56 LEU HG 0.000 . 2.580 2.442 2.406 2.476 . 0 0 "[ . 1 . 2]" 1
834 1 56 LEU QB 1 57 VAL H 0.000 . 4.630 2.422 2.222 2.573 . 0 0 "[ . 1 . 2]" 1
835 1 56 LEU MD1 1 56 LEU MD2 0.000 . 2.310 2.072 2.063 2.081 . 0 0 "[ . 1 . 2]" 1
836 1 56 LEU QD 1 57 VAL H 0.000 . 4.020 3.960 3.750 4.086 0.066 4 0 "[ . 1 . 2]" 1
837 1 56 LEU HG 1 57 VAL H 0.000 . 5.090 4.514 4.284 4.645 . 0 0 "[ . 1 . 2]" 1
838 1 56 LEU HG 2 9 LYS QB 0.000 . 1.550 1.836 1.748 1.902 0.352 4 0 "[ . 1 . 2]" 1
839 1 56 LEU HG 2 9 LYS QG 0.000 . 2.740 2.935 1.860 3.381 0.641 19 6 "[ * - *1* .* +2]" 1
840 1 57 VAL H 1 57 VAL HB 0.000 . 2.910 2.379 2.322 2.434 . 0 0 "[ . 1 . 2]" 1
841 1 57 VAL H 1 57 VAL QG 0.000 . 2.920 2.250 2.113 2.405 . 0 0 "[ . 1 . 2]" 1
842 1 57 VAL H 1 58 MET H 0.000 . 2.830 2.806 2.628 2.898 0.068 5 0 "[ . 1 . 2]" 1
843 1 57 VAL H 1 58 MET QB 0.000 . 3.600 4.455 4.313 4.830 1.230 20 20 [***-***************+] 1
844 1 57 VAL H 1 59 ALA H 0.000 . 3.820 4.321 4.080 4.642 0.822 20 8 "[* .* 1 -*** *+]" 1
845 1 57 VAL HA 1 57 VAL HB 0.000 . 2.960 3.018 3.011 3.022 0.062 8 0 "[ . 1 . 2]" 1
846 1 57 VAL HA 1 57 VAL QG 0.000 . 2.250 2.063 2.018 2.102 . 0 0 "[ . 1 . 2]" 1
847 1 57 VAL HA 1 58 MET H 0.000 . 3.780 3.550 3.537 3.564 . 0 0 "[ . 1 . 2]" 1
848 1 57 VAL HA 1 58 MET HA 0.000 . 3.960 4.841 4.803 4.885 0.925 20 20 [******-************+] 1
849 1 57 VAL HA 1 59 ALA H 0.000 . 3.830 4.791 4.605 5.073 1.243 20 20 [********-**********+] 1
850 1 57 VAL HA 1 60 TYR H 0.000 . 3.250 3.521 3.416 3.680 0.430 19 0 "[ . 1 . 2]" 1
851 1 57 VAL HA 1 60 TYR HA 0.000 . 3.790 5.301 5.245 5.398 1.608 20 20 [********-**********+] 1
852 1 57 VAL HA 1 60 TYR QB 0.000 . 2.590 2.618 2.545 2.698 0.108 20 0 "[ . 1 . 2]" 1
853 1 57 VAL HA 1 60 TYR QD 0.000 . 3.200 4.278 3.861 4.358 1.158 12 20 [***********+******-*] 1
854 1 57 VAL HA 1 61 GLU H 0.000 . 3.220 4.280 4.084 4.405 1.185 6 20 [*****+***********-**] 1
855 1 57 VAL HB 1 58 MET H 0.000 . 2.170 2.278 2.141 2.453 0.283 7 0 "[ . 1 . 2]" 1
856 1 57 VAL MG1 1 57 VAL MG2 0.000 . 2.410 2.006 1.954 2.051 . 0 0 "[ . 1 . 2]" 1
857 1 57 VAL QG 1 58 MET H 0.000 . 3.310 2.850 2.740 2.955 . 0 0 "[ . 1 . 2]" 1
858 1 57 VAL QG 1 58 MET HA 0.000 . 2.790 3.243 3.134 3.332 0.542 20 2 "[ . 1 .- +]" 1
859 1 57 VAL QG 1 58 MET QG 0.000 . 4.440 4.784 3.812 5.035 0.595 14 2 "[ . 1 +. -2]" 1
860 1 57 VAL QG 1 60 TYR QD 0.000 . 3.640 3.913 3.565 4.024 0.384 13 0 "[ . 1 . 2]" 1
861 1 57 VAL QG 1 61 GLU H 0.000 . 3.670 3.800 3.554 3.951 0.281 19 0 "[ . 1 . 2]" 1
862 1 57 VAL QG 1 61 GLU QB 0.000 . 3.740 4.194 3.923 4.386 0.646 7 6 "[ *.*+ 1 -. * *2]" 1
863 1 57 VAL QG 1 61 GLU QG 0.000 . 2.950 2.662 2.360 2.844 . 0 0 "[ . 1 . 2]" 1
864 1 58 MET H 1 58 MET HA 0.000 . 2.560 2.739 2.702 2.786 0.226 7 0 "[ . 1 . 2]" 1
865 1 58 MET H 1 58 MET QB 0.000 . 2.270 2.210 2.136 2.709 0.439 20 0 "[ . 1 . 2]" 1
866 1 58 MET H 1 58 MET ME 0.000 . 2.970 3.095 2.725 3.763 0.793 20 1 "[ . 1 . +]" 1
867 1 58 MET H 1 58 MET QG 0.000 . 3.470 3.907 1.958 4.038 0.568 14 19 [*************+-****2] 1
868 1 58 MET H 1 59 ALA H 0.000 . 2.530 2.940 2.785 3.132 0.602 20 1 "[ . 1 . +]" 1
869 1 58 MET H 1 61 GLU H 0.000 . 5.090 4.882 4.773 4.965 . 0 0 "[ . 1 . 2]" 1
870 1 58 MET HA 1 58 MET QB 0.000 . 2.280 2.413 2.289 2.447 0.167 15 0 "[ . 1 . 2]" 1
871 1 58 MET HA 1 58 MET ME 0.000 . 1.730 2.047 2.016 2.131 0.401 9 0 "[ . 1 . 2]" 1
872 1 58 MET HA 1 58 MET QG 0.000 . 2.580 2.506 2.341 3.161 0.581 20 1 "[ . 1 . +]" 1
873 1 58 MET HA 1 61 GLU H 0.000 . 2.730 3.584 3.337 3.712 0.982 9 20 [********+*-*********] 1
874 1 58 MET HA 1 61 GLU QG 0.000 . 2.710 3.098 2.146 3.460 0.750 20 9 "[* * . - * ** **+]" 1
875 1 58 MET QB 1 58 MET ME 0.000 . 2.330 2.004 1.866 2.055 . 0 0 "[ . 1 . 2]" 1
876 1 58 MET QB 1 58 MET QG 0.000 . 2.220 2.004 1.949 2.016 . 0 0 "[ . 1 . 2]" 1
877 1 58 MET QB 1 59 ALA H 0.000 . 2.520 2.176 1.883 2.326 . 0 0 "[ . 1 . 2]" 1
878 1 58 MET QB 1 59 ALA HA 0.000 . 3.060 3.879 3.662 3.966 0.906 19 20 [******************+-] 1
879 1 58 MET QB 1 60 TYR H 0.000 . 3.770 4.443 4.324 4.513 0.743 18 20 [*****************+*-] 1
880 1 58 MET ME 1 58 MET QG 0.000 . 2.690 2.552 2.530 2.601 . 0 0 "[ . 1 . 2]" 1
881 1 58 MET QG 1 59 ALA H 0.000 . 3.050 3.609 3.214 3.855 0.805 9 15 "[***-* **+**** * ** 2]" 1
882 1 59 ALA H 1 59 ALA HA 0.000 . 2.350 2.767 2.717 2.801 0.451 9 0 "[ . 1 . 2]" 1
883 1 59 ALA H 1 59 ALA MB 0.000 . 2.030 2.204 2.113 2.240 0.210 9 0 "[ . 1 . 2]" 1
884 1 59 ALA H 1 60 TYR H 0.000 . 2.900 2.774 2.686 2.934 0.034 20 0 "[ . 1 . 2]" 1
885 1 59 ALA H 1 60 TYR HA 0.000 . 3.920 5.351 5.280 5.476 1.556 20 20 [********-**********+] 1
886 1 59 ALA H 1 60 TYR QB 0.000 . 3.690 4.530 4.440 4.689 0.999 20 20 [********-**********+] 1
887 1 59 ALA H 1 61 GLU H 0.000 . 3.760 4.504 4.382 4.636 0.876 19 20 [***********-******+*] 1
888 1 59 ALA H 1 62 GLU H 0.000 . 4.030 4.705 4.618 4.766 0.736 6 20 [*****+**-***********] 1
889 1 59 ALA HA 1 59 ALA MB 0.000 . 2.450 2.123 2.106 2.130 . 0 0 "[ . 1 . 2]" 1
890 1 59 ALA HA 1 60 TYR H 0.000 . 3.760 3.529 3.512 3.548 . 0 0 "[ . 1 . 2]" 1
891 1 59 ALA HA 1 62 GLU H 0.000 . 2.640 3.296 3.206 3.383 0.743 10 20 [*******-*+**********] 1
892 1 59 ALA HA 1 62 GLU QB 0.000 . 1.710 1.880 1.780 2.014 0.304 12 0 "[ . 1 . 2]" 1
893 1 59 ALA HA 1 62 GLU QG 0.000 . 3.580 3.134 2.851 3.353 . 0 0 "[ . 1 . 2]" 1
894 1 59 ALA MB 1 60 TYR H 0.000 . 3.030 2.613 2.480 2.729 . 0 0 "[ . 1 . 2]" 1
895 1 59 ALA MB 1 60 TYR HA 0.000 . 3.920 3.818 3.725 3.875 . 0 0 "[ . 1 . 2]" 1
896 1 59 ALA MB 1 62 GLU QB 0.000 . 3.220 3.426 3.302 3.534 0.314 12 0 "[ . 1 . 2]" 1
897 1 60 TYR H 1 60 TYR HA 0.000 . 2.680 2.797 2.762 2.815 0.135 6 0 "[ . 1 . 2]" 1
898 1 60 TYR H 1 60 TYR QB 0.000 . 2.760 2.270 2.241 2.293 . 0 0 "[ . 1 . 2]" 1
899 1 60 TYR H 1 60 TYR QD 0.000 . 3.840 4.192 4.178 4.209 0.369 16 0 "[ . 1 . 2]" 1
900 1 60 TYR H 1 61 GLU H 0.000 . 2.840 2.779 2.683 2.918 0.078 7 0 "[ . 1 . 2]" 1
901 1 60 TYR H 1 61 GLU QB 0.000 . 3.760 4.945 4.773 5.220 1.460 9 20 [*****-**+***********] 1
902 1 60 TYR H 1 61 GLU QG 0.000 . 4.920 4.004 3.647 4.124 . 0 0 "[ . 1 . 2]" 1
903 1 60 TYR H 1 62 GLU H 0.000 . 3.750 3.645 3.533 3.723 . 0 0 "[ . 1 . 2]" 1
904 1 60 TYR HA 1 60 TYR QB 0.000 . 2.260 2.341 2.293 2.357 0.097 11 0 "[ . 1 . 2]" 1
905 1 60 TYR HA 1 60 TYR QD 0.000 . 2.900 2.731 2.598 2.820 . 0 0 "[ . 1 . 2]" 1
906 1 60 TYR HA 1 61 GLU H 0.000 . 3.150 3.547 3.537 3.555 0.405 7 0 "[ . 1 . 2]" 1
907 1 60 TYR HA 1 63 LYS QD 0.000 . 3.270 2.046 1.771 3.806 0.536 11 1 "[ . 1+ . 2]" 1
908 1 60 TYR QB 1 60 TYR QD 0.000 . 2.420 2.128 2.122 2.138 . 0 0 "[ . 1 . 2]" 1
909 1 60 TYR QB 1 61 GLU H 0.000 . 2.760 2.298 2.217 2.377 . 0 0 "[ . 1 . 2]" 1
910 1 60 TYR QB 1 62 GLU H 0.000 . 4.830 4.204 4.133 4.293 . 0 0 "[ . 1 . 2]" 1
911 1 60 TYR QD 1 61 GLU H 0.000 . 2.970 3.101 2.875 3.341 0.371 12 0 "[ . 1 . 2]" 1
912 1 60 TYR QD 1 61 GLU HA 0.000 . 3.430 3.343 3.166 3.565 0.135 12 0 "[ . 1 . 2]" 1
913 1 60 TYR QD 1 61 GLU QG 0.000 . 3.270 2.686 2.148 3.415 0.145 5 0 "[ . 1 . 2]" 1
914 1 60 TYR QD 1 63 LYS QD 0.000 . 4.050 3.581 3.081 5.540 1.490 11 1 "[ . 1+ . 2]" 1
915 1 61 GLU H 1 61 GLU HA 0.000 . 2.620 2.825 2.812 2.838 0.218 5 0 "[ . 1 . 2]" 1
916 1 61 GLU H 1 61 GLU QB 0.000 . 2.450 2.630 2.576 2.809 0.359 9 0 "[ . 1 . 2]" 1
917 1 61 GLU H 1 61 GLU QG 0.000 . 2.590 1.833 1.785 1.886 . 0 0 "[ . 1 . 2]" 1
918 1 61 GLU H 1 62 GLU H 0.000 . 2.580 2.565 2.532 2.607 0.027 7 0 "[ . 1 . 2]" 1
919 1 61 GLU H 1 62 GLU HA 0.000 . 4.130 5.103 5.067 5.133 1.003 7 20 [-*****+*************] 1
920 1 61 GLU H 1 62 GLU QG 0.000 . 4.540 5.399 4.373 5.542 1.002 19 18 [****.******-******+2] 1
921 1 61 GLU HA 1 61 GLU QB 0.000 . 2.120 2.258 2.153 2.285 0.165 11 0 "[ . 1 . 2]" 1
922 1 61 GLU HA 1 61 GLU QG 0.000 . 2.860 2.796 2.557 3.286 0.426 5 0 "[ . 1 . 2]" 1
923 1 61 GLU HA 1 62 GLU H 0.000 . 3.080 3.344 3.315 3.394 0.314 12 0 "[ . 1 . 2]" 1
924 1 61 GLU HA 1 63 LYS H 0.000 . 4.740 4.345 4.166 4.532 . 0 0 "[ . 1 . 2]" 1
925 1 61 GLU HA 1 64 GLU H 0.000 . 3.060 3.462 3.202 3.602 0.542 4 5 "[ +.*- 1 *. *2]" 1
926 1 61 GLU HA 1 65 GLU H 0.000 . 3.580 3.722 3.496 3.991 0.411 9 0 "[ . 1 . 2]" 1
927 1 61 GLU QB 1 61 GLU QG 0.000 . 2.280 2.054 2.007 2.082 . 0 0 "[ . 1 . 2]" 1
928 1 61 GLU QB 1 62 GLU H 0.000 . 3.280 3.233 3.074 3.734 0.454 5 0 "[ . 1 . 2]" 1
929 1 61 GLU QG 1 62 GLU H 0.000 . 3.000 3.863 2.880 4.010 1.010 2 18 "[*+**.*** **********-]" 1
930 1 62 GLU H 1 62 GLU HA 0.000 . 2.440 2.882 2.858 2.896 0.456 9 0 "[ . 1 . 2]" 1
931 1 62 GLU H 1 62 GLU QG 0.000 . 2.560 3.270 2.763 3.329 0.769 16 18 [****.******-***+***2] 1
932 1 62 GLU H 1 63 LYS H 0.000 . 2.620 2.406 2.272 2.523 . 0 0 "[ . 1 . 2]" 1
933 1 62 GLU H 1 64 GLU H 0.000 . 2.810 3.840 3.785 3.893 1.083 17 20 [****************+*-*] 1
934 1 62 GLU H 1 65 GLU H 0.000 . 4.690 4.604 4.519 4.744 0.054 17 0 "[ . 1 . 2]" 1
935 1 62 GLU HA 1 62 GLU QB 0.000 . 2.470 2.191 2.155 2.497 0.027 5 0 "[ . 1 . 2]" 1
936 1 62 GLU HA 1 62 GLU QG 0.000 . 2.430 2.956 2.275 3.053 0.623 12 18 [****.***-**+*******2] 1
937 1 62 GLU HA 1 63 LYS H 0.000 . 2.680 3.533 3.500 3.566 0.886 19 20 [**********-*******+*] 1
938 1 62 GLU HA 1 64 GLU H 0.000 . 3.730 4.482 4.304 4.560 0.830 3 20 [**+********-********] 1
939 1 62 GLU HA 1 65 GLU QG 0.000 . 2.550 2.180 1.820 3.354 0.804 18 2 "[ . -1 . + 2]" 1
940 1 62 GLU QB 1 62 GLU QG 0.000 . 2.400 2.082 2.079 2.087 . 0 0 "[ . 1 . 2]" 1
941 1 62 GLU QB 1 63 LYS QG 0.000 . 3.350 3.659 3.071 4.019 0.669 11 2 "[ . -1+ . 2]" 1
942 1 62 GLU QG 1 63 LYS H 0.000 . 3.380 2.593 2.208 4.362 0.982 5 2 "[ + 1 . -]" 1
943 1 63 LYS H 1 63 LYS HA 0.000 . 2.360 2.835 2.804 2.850 0.490 15 0 "[ . 1 . 2]" 1
944 1 63 LYS H 1 63 LYS QB 0.000 . 2.670 2.572 2.438 2.709 0.039 11 0 "[ . 1 . 2]" 1
945 1 63 LYS H 1 63 LYS QD 0.000 . 2.380 2.736 2.317 2.902 0.522 15 5 "[ . * 1 * + *- 2]" 1
946 1 63 LYS H 1 63 LYS QE 0.000 . 5.280 4.360 3.855 4.668 . 0 0 "[ . 1 . 2]" 1
947 1 63 LYS H 1 63 LYS QG 0.000 . 2.860 2.038 1.892 2.290 . 0 0 "[ . 1 . 2]" 1
948 1 63 LYS H 1 64 GLU H 0.000 . 2.500 2.553 2.462 2.635 0.135 20 0 "[ . 1 . 2]" 1
949 1 63 LYS H 1 65 GLU H 0.000 . 3.250 4.260 4.110 4.407 1.157 17 20 [**********-*****+***] 1
950 1 63 LYS H 1 67 ASP H 0.000 . 4.590 6.234 6.012 6.467 1.877 20 20 [********-**********+] 1
951 1 63 LYS HA 1 63 LYS QB 0.000 . 2.260 2.305 2.243 2.362 0.102 9 0 "[ . 1 . 2]" 1
952 1 63 LYS HA 1 63 LYS QD 0.000 . 3.260 3.979 1.995 4.144 0.884 17 19 "[*-******** *****+***]" 1
953 1 63 LYS HA 1 63 LYS QE 0.000 . 3.740 4.686 3.814 4.985 1.245 14 19 "[********** **+***-**]" 1
954 1 63 LYS HA 1 63 LYS QG 0.000 . 2.580 2.589 2.457 3.202 0.622 11 1 "[ . 1+ . 2]" 1
955 1 63 LYS HA 1 64 GLU H 0.000 . 2.770 3.527 3.493 3.545 0.775 18 20 [**********-******+**] 1
956 1 63 LYS HA 1 65 GLU H 0.000 . 3.720 4.791 4.629 5.048 1.328 17 20 [********-*******+***] 1
957 1 63 LYS QB 1 63 LYS QD 0.000 . 2.520 2.036 1.971 2.416 . 0 0 "[ . 1 . 2]" 1
958 1 63 LYS QB 1 63 LYS QE 0.000 . 3.460 2.830 2.369 3.666 0.206 7 0 "[ . 1 . 2]" 1
959 1 63 LYS QB 1 63 LYS QG 0.000 . 2.130 2.029 1.971 2.036 . 0 0 "[ . 1 . 2]" 1
960 1 63 LYS QB 1 64 GLU H 0.000 . 2.870 2.502 2.443 2.616 . 0 0 "[ . 1 . 2]" 1
961 1 63 LYS QB 1 64 GLU QG 0.000 . 3.350 3.486 2.994 4.312 0.962 14 6 "[ *. *1 +* -* 2]" 1
962 1 63 LYS QB 1 65 GLU H 0.000 . 3.940 4.881 4.741 4.984 1.044 12 20 [********-**+********] 1
963 1 63 LYS QD 1 63 LYS QE 0.000 . 2.170 2.053 1.999 2.091 . 0 0 "[ . 1 . 2]" 1
964 1 63 LYS QD 1 63 LYS QG 0.000 . 2.410 2.034 2.012 2.075 . 0 0 "[ . 1 . 2]" 1
965 1 63 LYS QD 1 64 GLU H 0.000 . 3.300 3.805 3.598 4.403 1.103 11 8 "[ ** **1+* -* 2]" 1
966 1 63 LYS QE 1 63 LYS QG 0.000 . 2.090 2.281 2.129 2.538 0.448 1 0 "[ . 1 . 2]" 1
967 1 63 LYS QG 1 64 GLU H 0.000 . 3.420 3.928 3.492 4.092 0.672 9 13 "[** ** * +* -*** **]" 1
968 1 63 LYS QG 1 65 GLU H 0.000 . 4.020 5.781 5.554 5.870 1.850 17 20 [**********-*****+***] 1
969 1 64 GLU H 1 64 GLU QB 0.000 . 2.520 2.445 2.333 2.665 0.145 17 0 "[ . 1 . 2]" 1
970 1 64 GLU H 1 64 GLU QG 0.000 . 1.910 2.180 1.839 2.392 0.482 7 0 "[ . 1 . 2]" 1
971 1 64 GLU H 1 65 GLU H 0.000 . 2.460 2.754 2.648 2.840 0.380 6 0 "[ . 1 . 2]" 1
972 1 64 GLU H 1 65 GLU HA 0.000 . 3.900 5.323 5.258 5.382 1.482 6 20 [***-*+**************] 1
973 1 64 GLU H 1 65 GLU QG 0.000 . 4.110 4.155 3.818 4.860 0.750 20 3 "[ . *1 . - +]" 1
974 1 64 GLU HA 1 64 GLU QB 0.000 . 2.410 2.312 2.158 2.412 0.002 7 0 "[ . 1 . 2]" 1
975 1 64 GLU HA 1 64 GLU QG 0.000 . 2.630 2.958 2.318 3.317 0.687 18 6 "[ *. *1 *- *+ 2]" 1
976 1 64 GLU HA 1 65 GLU H 0.000 . 2.630 3.557 3.534 3.571 0.941 6 20 [***-*+**************] 1
977 1 64 GLU HA 1 66 ARG H 0.000 . 3.750 4.299 4.064 4.908 1.158 9 11 "[* * * - +1 *** ***2]" 1
978 1 64 GLU HA 1 67 ASP H 0.000 . 2.650 3.457 3.351 3.590 0.940 11 20 [**********+*****-***] 1
979 1 64 GLU HA 1 68 ARG QB 0.000 . 3.280 3.976 3.321 4.485 1.205 17 15 "[* ****** 1***** + -*]" 1
980 1 64 GLU HA 1 68 ARG QD 0.000 . 3.090 3.707 3.095 4.200 1.110 17 14 "[* *******1 ***-+* 2]" 1
981 1 64 GLU HA 1 68 ARG QG 0.000 . 3.110 2.529 2.217 2.914 . 0 0 "[ . 1 . 2]" 1
982 1 64 GLU QB 1 64 GLU QG 0.000 . 1.980 2.027 1.975 2.086 0.106 11 0 "[ . 1 . 2]" 1
983 1 64 GLU QB 1 65 GLU H 0.000 . 2.750 2.625 2.286 3.332 0.582 4 4 "[ +. *1 *- 2]" 1
984 1 64 GLU QG 1 65 GLU H 0.000 . 3.700 3.353 1.819 4.107 0.407 7 0 "[ . 1 . 2]" 1
985 1 64 GLU QG 1 68 ARG QD 0.000 . 2.950 3.418 3.004 3.836 0.886 6 6 "[ *+* *1 . -* 2]" 1
986 1 64 GLU QG 1 68 ARG QG 0.000 . 3.090 3.713 2.906 4.024 0.934 14 15 "[***** * ****+** -*]" 1
987 1 65 GLU H 1 65 GLU HA 0.000 . 2.350 2.769 2.714 2.820 0.470 11 0 "[ . 1 . 2]" 1
988 1 65 GLU H 1 65 GLU QB 0.000 . 2.130 2.395 2.133 2.505 0.375 12 0 "[ . 1 . 2]" 1
989 1 65 GLU H 1 65 GLU QG 0.000 . 2.760 2.390 2.066 3.038 0.278 20 0 "[ . 1 . 2]" 1
990 1 65 GLU H 1 66 ARG H 0.000 . 2.370 2.795 2.596 3.097 0.727 9 4 "[ - . +1 . ** 2]" 1
991 1 65 GLU H 1 67 ASP H 0.000 . 3.400 4.442 3.974 4.649 1.249 20 20 [********-**********+] 1
992 1 65 GLU H 1 68 ARG QB 0.000 . 3.960 4.595 4.162 5.640 1.680 9 7 "[ *. +1* *- ** 2]" 1
993 1 65 GLU HA 1 65 GLU QB 0.000 . 2.430 2.200 2.151 2.452 0.022 9 0 "[ . 1 . 2]" 1
994 1 65 GLU HA 1 65 GLU QG 0.000 . 2.700 3.231 2.294 3.425 0.725 10 18 "[******** +******* *-]" 1
995 1 65 GLU HA 1 67 ASP H 0.000 . 3.680 4.626 4.208 4.846 1.166 19 20 [********-*********+*] 1
996 1 65 GLU QB 1 65 GLU QG 0.000 . 2.440 2.073 2.016 2.083 . 0 0 "[ . 1 . 2]" 1
997 1 65 GLU QB 1 66 ARG H 0.000 . 3.600 3.309 2.155 3.525 . 0 0 "[ . 1 . 2]" 1
998 1 65 GLU QB 1 67 ASP H 0.000 . 4.050 5.269 4.239 5.513 1.463 20 18 "[******** *******- *+]" 1
999 1 65 GLU QG 1 66 ARG H 0.000 . 3.130 2.290 1.890 4.047 0.917 18 2 "[ . -1 . + 2]" 1
1000 1 65 GLU QG 1 67 ASP H 0.000 . 4.680 4.619 4.353 5.556 0.876 18 2 "[ . -1 . + 2]" 1
1001 1 66 ARG HA 1 66 ARG QB 0.000 . 2.080 2.469 2.401 2.510 0.430 8 0 "[ . 1 . 2]" 1
1002 1 66 ARG HA 1 66 ARG QD 0.000 . 2.860 2.731 1.855 3.755 0.895 1 8 "[+ * . *** *. *- 2]" 1
1003 1 66 ARG HA 1 66 ARG QG 0.000 . 2.650 2.423 2.080 2.679 0.029 6 0 "[ . 1 . 2]" 1
1004 1 66 ARG HA 1 67 ASP H 0.000 . 2.740 3.548 3.486 3.565 0.825 20 20 [********-**********+] 1
1005 1 66 ARG QB 1 66 ARG QD 0.000 . 2.400 2.299 2.045 2.787 0.387 15 0 "[ . 1 . 2]" 1
1006 1 66 ARG QB 1 66 ARG QG 0.000 . 1.980 2.023 1.997 2.069 0.089 9 0 "[ . 1 . 2]" 1
1007 1 66 ARG QB 1 67 ASP H 0.000 . 2.270 2.489 2.372 2.871 0.601 9 2 "[ . +1 . - 2]" 1
1008 1 66 ARG QB 1 67 ASP HA 0.000 . 2.930 3.839 3.766 4.001 1.071 9 20 [********+*****-*****] 1
1009 1 66 ARG QD 1 66 ARG QG 0.000 . 2.360 2.048 1.996 2.091 . 0 0 "[ . 1 . 2]" 1
1010 1 66 ARG QG 1 67 ASP H 0.000 . 3.430 4.198 3.849 4.357 0.927 8 18 "[-* ****+***** ******]" 1
1011 1 67 ASP H 1 67 ASP HA 0.000 . 2.360 2.880 2.851 2.923 0.563 18 18 "[*************-.**+ *]" 1
1012 1 67 ASP H 1 67 ASP QB 0.000 . 2.110 2.287 2.255 2.357 0.247 18 0 "[ . 1 . 2]" 1
1013 1 67 ASP H 1 68 ARG H 0.000 . 2.100 2.696 2.605 2.752 0.652 17 20 [-***************+***] 1
1014 1 67 ASP H 1 68 ARG QB 0.000 . 3.820 4.575 4.348 5.112 1.292 17 20 [-***************+***] 1
1015 1 67 ASP H 1 68 ARG QD 0.000 . 4.230 5.714 4.900 6.030 1.800 5 20 [****+*-*************] 1
1016 1 67 ASP H 1 69 ALA H 0.000 . 4.000 3.976 3.629 4.628 0.628 3 2 "[ + . 1 - 2]" 1
1017 1 67 ASP HA 1 67 ASP QB 0.000 . 2.120 2.386 2.365 2.399 0.279 14 0 "[ . 1 . 2]" 1
1018 1 67 ASP HA 1 68 ARG H 0.000 . 2.810 3.549 3.529 3.564 0.754 18 20 [**-**************+**] 1
1019 1 67 ASP HA 1 68 ARG HA 0.000 . 3.690 4.829 4.651 4.943 1.253 6 20 [*****+**-***********] 1
1020 1 67 ASP HA 1 68 ARG QB 0.000 . 4.070 5.452 5.289 5.563 1.493 17 20 [********-*******+***] 1
1021 1 67 ASP HA 1 69 ALA H 0.000 . 3.770 4.522 3.825 5.461 1.691 3 11 "[ +*. * *1** * **-*]" 1
1022 1 67 ASP QB 1 68 ARG H 0.000 . 2.440 2.016 1.977 2.063 . 0 0 "[ . 1 . 2]" 1
1023 1 68 ARG H 1 68 ARG QB 0.000 . 2.520 2.561 2.339 2.672 0.152 17 0 "[ . 1 . 2]" 1
1024 1 68 ARG H 1 68 ARG QD 0.000 . 3.410 3.822 2.583 4.070 0.660 5 11 "[** + *** * .* **-]" 1
1025 1 68 ARG H 1 68 ARG QG 0.000 . 1.880 2.093 1.862 2.304 0.424 9 0 "[ . 1 . 2]" 1
1026 1 68 ARG HA 1 68 ARG QB 0.000 . 2.490 2.315 2.120 2.390 . 0 0 "[ . 1 . 2]" 1
1027 1 68 ARG HA 1 68 ARG QD 0.000 . 3.240 3.924 2.086 4.234 0.994 11 18 "[****- ***+*********]" 1
1028 1 68 ARG HA 1 68 ARG QG 0.000 . 2.550 2.573 2.316 3.256 0.706 18 3 "[ . *1 . -+ 2]" 1
1029 1 68 ARG HA 1 69 ALA H 0.000 . 2.790 3.526 3.459 3.588 0.798 7 20 [******+*****-*******] 1
1030 1 68 ARG HA 1 70 SER H 0.000 . 3.400 4.326 3.550 5.001 1.601 3 16 "[**+***** * ***.*- **]" 1
1031 1 68 ARG QB 1 68 ARG QD 0.000 . 2.780 2.308 2.059 2.746 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ARG QB 1 69 ALA H 0.000 . 2.620 2.631 1.810 3.355 0.735 9 2 "[ . +1 . - 2]" 1
1033 1 68 ARG QB 1 70 SER H 0.000 . 3.770 4.124 2.493 5.044 1.274 14 15 "[** ****** *+.-****]" 1
1034 1 68 ARG QD 1 68 ARG QG 0.000 . 1.930 2.019 1.956 2.085 0.155 5 0 "[ . 1 . 2]" 1
1035 1 68 ARG QD 1 69 ALA H 0.000 . 4.310 4.755 3.417 5.440 1.130 13 11 "[** ** * * +*.* *-]" 1
1036 1 69 ALA H 1 69 ALA HA 0.000 . 2.360 2.531 2.262 2.877 0.517 9 2 "[ . +1 . - 2]" 1
1037 1 69 ALA H 1 69 ALA MB 0.000 . 2.200 2.518 2.183 2.856 0.656 3 11 "[ *+-.* * *** ** *]" 1
1038 1 69 ALA HA 1 69 ALA MB 0.000 . 2.030 2.110 2.071 2.127 0.097 19 0 "[ . 1 . 2]" 1
1039 1 69 ALA HA 1 70 SER H 0.000 . 3.340 3.250 2.165 3.570 0.230 14 0 "[ . 1 . 2]" 1
1040 1 69 ALA MB 1 70 SER H 0.000 . 3.060 2.673 1.649 3.599 0.539 12 2 "[ -. 1 + . 2]" 1
1041 1 69 ALA MB 1 71 GLY H 0.000 . 5.340 4.224 2.339 6.186 0.846 15 2 "[ . -1 + 2]" 1
1042 1 70 SER H 1 70 SER HA 0.000 . 2.790 2.836 2.282 2.946 0.156 2 0 "[ . 1 . 2]" 1
1043 1 70 SER H 1 71 GLY QA 0.000 . 3.210 3.990 3.548 4.303 1.093 15 17 "[** *** *** ***+**-**]" 1
1044 1 70 SER HA 1 70 SER QB 0.000 . 2.240 2.336 2.189 2.436 0.196 3 0 "[ . 1 . 2]" 1
1045 1 70 SER HA 1 70 SER HG 0.000 . 3.320 3.115 2.319 4.072 0.752 12 2 "[ . -1 + . 2]" 1
1046 1 70 SER HA 1 71 GLY H 0.000 . 4.510 3.246 2.138 3.578 . 0 0 "[ . 1 . 2]" 1
1047 1 70 SER QB 1 71 GLY H 0.000 . 2.690 2.682 1.828 3.486 0.796 19 7 "[ .*- *1 * . **+2]" 1
1048 1 71 GLY H 1 71 GLY QA 0.000 . 2.590 2.348 2.173 2.501 . 0 0 "[ . 1 . 2]" 1
1049 1 71 GLY QA 1 72 TYR H 0.000 . 2.580 2.332 2.113 2.853 0.273 11 0 "[ . 1 . 2]" 1
1050 1 71 GLY QA 1 73 ARG H 0.000 . 4.170 4.676 3.042 5.647 1.477 11 12 "[* * *** -1+ ** ***]" 1
1051 1 72 TYR H 1 72 TYR HA 0.000 . 2.540 2.850 2.272 2.945 0.405 18 0 "[ . 1 . 2]" 1
1052 1 72 TYR H 1 72 TYR QB 0.000 . 2.230 2.424 2.231 2.810 0.580 17 1 "[ . 1 . + 2]" 1
1053 1 72 TYR H 1 72 TYR QD 0.000 . 3.650 3.277 1.837 4.342 0.692 5 10 "[** +- *** * * *]" 1
1054 1 72 TYR HA 1 72 TYR QB 0.000 . 2.400 2.363 2.157 2.434 0.034 19 0 "[ . 1 . 2]" 1
1055 1 72 TYR HA 1 72 TYR QD 0.000 . 2.950 3.008 2.480 3.724 0.774 4 3 "[ +. * 1 -. 2]" 1
1056 1 72 TYR HA 1 73 ARG H 0.000 . 2.620 2.729 2.158 3.547 0.927 7 8 "[ - *. +* * * .** 2]" 1
1057 1 72 TYR QB 1 72 TYR QD 0.000 . 2.390 2.138 2.075 2.179 . 0 0 "[ . 1 . 2]" 1
1058 1 72 TYR QB 1 72 TYR QE 0.000 . 3.740 3.935 3.912 3.952 0.212 19 0 "[ . 1 . 2]" 1
1059 1 72 TYR QB 1 73 ARG H 0.000 . 3.190 3.162 1.628 3.988 0.798 5 3 "[- + *1 . 2]" 1
1060 1 73 ARG H 1 73 ARG QB 0.000 . 2.920 2.636 2.167 3.114 0.194 6 0 "[ . 1 . 2]" 1
1061 1 73 ARG H 1 73 ARG QG 0.000 . 3.320 3.720 1.855 4.382 1.062 17 13 "[*-* . ****** .*+ **]" 1
1062 1 73 ARG H 1 74 LYS HA 0.000 . 5.420 5.264 4.617 5.783 0.363 15 0 "[ . 1 . 2]" 1
1063 1 73 ARG HA 1 73 ARG QB 0.000 . 2.460 2.446 2.168 2.536 0.076 4 0 "[ . 1 . 2]" 1
1064 1 73 ARG HA 1 73 ARG QD 0.000 . 3.320 3.328 1.795 4.510 1.190 13 13 "[*- **** ***+ ** * 2]" 1
1065 1 73 ARG HA 1 73 ARG QG 0.000 . 3.430 2.556 2.252 3.456 0.026 6 0 "[ . 1 . 2]" 1
1066 1 73 ARG HA 1 74 LYS H 0.000 . 2.380 2.881 2.706 3.097 0.717 19 8 "[ * *. * ** -. * +2]" 1
1067 1 73 ARG QB 1 73 ARG QD 0.000 . 2.570 2.290 2.104 2.746 0.176 19 0 "[ . 1 . 2]" 1
1068 1 73 ARG QB 1 73 ARG QG 0.000 . 1.910 2.043 1.978 2.083 0.173 12 0 "[ . 1 . 2]" 1
1069 1 73 ARG QB 1 74 LYS H 0.000 . 2.500 1.990 1.724 2.363 . 0 0 "[ . 1 . 2]" 1
1070 1 73 ARG QD 1 73 ARG QG 0.000 . 1.890 2.048 1.963 2.083 0.193 3 0 "[ . 1 . 2]" 1
1071 1 73 ARG QG 1 74 LYS H 0.000 . 2.430 2.109 1.535 3.128 0.698 15 4 "[ -* 1 *+ 2]" 1
1072 1 74 LYS H 1 74 LYS HA 0.000 . 2.800 2.908 2.815 2.950 0.150 5 0 "[ . 1 . 2]" 1
1073 1 74 LYS H 1 74 LYS QB 0.000 . 2.360 2.370 2.200 2.579 0.219 2 0 "[ . 1 . 2]" 1
1074 1 74 LYS H 1 74 LYS QG 0.000 . 3.550 4.044 3.922 4.133 0.583 9 7 "[**- * +1 * . * 2]" 1
1075 1 74 LYS HA 1 74 LYS QB 0.000 . 2.050 2.374 2.352 2.438 0.388 15 0 "[ . 1 . 2]" 1
1076 1 74 LYS HA 1 74 LYS QG 0.000 . 3.130 2.599 2.296 2.990 . 0 0 "[ . 1 . 2]" 1
1077 1 74 LYS QB 1 74 LYS QG 0.000 . 2.250 2.052 1.997 2.089 . 0 0 "[ . 1 . 2]" 1
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