NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371120 |
1c8p   |
4308 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c8p
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 1027
_Distance_constraint_stats_list.Viol_count 3568
_Distance_constraint_stats_list.Viol_total 40011.566
_Distance_constraint_stats_list.Viol_max 6.139
_Distance_constraint_stats_list.Viol_rms 0.4042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0974
_Distance_constraint_stats_list.Viol_average_violations_only 0.5607
_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 1 MET 0.362 0.249 15 0 "[ . 1 . 2]"
1 2 ILE 44.144 2.335 17 14 "[****.** *-* **. + **]"
1 3 GLN 56.007 2.335 17 14 "[****.** *-* **. + **]"
1 4 MET 14.336 0.658 4 2 "[ +. 1 . - 2]"
1 5 ALA 10.388 0.658 4 1 "[ +. 1 . 2]"
1 6 PRO 52.968 2.145 20 20 [****************-**+]
1 7 PRO 5.561 0.678 8 3 "[ - . + 1 .* 2]"
1 8 SER 45.708 2.857 9 20 [********+-**********]
1 9 LEU 31.075 0.839 18 15 "[ *-*.******* *.**+*2]"
1 10 ASN 2.735 0.387 12 0 "[ . 1 . 2]"
1 11 VAL 100.309 5.657 19 20 [***********-******+*]
1 12 THR 33.644 1.372 15 19 "[*-*** ********+*****]"
1 13 LYS 40.402 0.863 17 19 "[***** -*********+***]"
1 14 ASP 10.519 0.417 12 0 "[ . 1 . 2]"
1 15 GLY 11.995 0.863 17 4 "[ . * *- . + 2]"
1 16 ASP 5.076 0.567 12 1 "[ . 1 + . 2]"
1 17 SER 2.859 0.346 4 0 "[ . 1 . 2]"
1 18 TYR 36.131 0.601 4 10 "[* *+. - ** ** **2]"
1 19 SER 0.432 0.186 5 0 "[ . 1 . 2]"
1 20 LEU 32.215 2.114 3 9 "[ *+ .* ** - ** * 2]"
1 21 ARG 118.204 5.657 19 20 [*****************-+*]
1 22 TRP 73.920 2.450 6 20 [*-***+**************]
1 23 GLU 51.300 2.857 9 20 [**-*****+***********]
1 24 THR 46.437 2.688 13 20 [*********-**+*******]
1 25 MET 5.932 0.382 20 0 "[ . 1 . 2]"
1 26 LYS 10.750 0.385 14 0 "[ . 1 . 2]"
1 27 MET 10.028 0.768 10 4 "[ * * - + . 2]"
1 28 ARG 4.421 0.768 10 4 "[ * * - + . 2]"
1 29 TYR 23.730 1.452 12 15 "[*** .-** **+* * ****]"
1 30 GLU 39.926 2.035 18 20 [*****-***********+**]
1 31 HIS 54.700 3.587 11 18 "[ ** ******+****-****]"
1 32 ILE 109.422 3.587 11 20 [**********+*********]
1 33 ASP 14.900 0.955 11 15 "[** *.*****+* *** -*2]"
1 34 HIS 71.874 2.374 7 19 [-*****+************2]
1 35 THR 6.839 0.444 18 0 "[ . 1 . 2]"
1 36 PHE 107.668 2.374 7 20 [*-****+*************]
1 37 GLU 50.630 2.725 17 16 "[** ***-**1******+ *2]"
1 38 ILE 55.669 1.815 12 18 "[***********+*-.*** *]"
1 39 GLN 107.399 3.389 11 20 [**********+-********]
1 40 TYR 54.565 1.901 4 19 "[***+********-*** ***]"
1 41 ARG 19.681 1.364 10 8 "[ * * +** - **2]"
1 42 LYS 252.630 6.139 18 20 [**********-******+**]
1 43 ASP 0.992 0.129 9 0 "[ . 1 . 2]"
1 44 THR 10.270 0.889 17 9 "[*** . * 1 **+* -]"
1 45 ALA 0.591 0.390 18 0 "[ . 1 . 2]"
1 46 THR 21.762 1.750 10 12 "[ ***-***+* ** *2]"
1 47 TRP 54.180 1.364 10 16 "[ ******* +* * ***-**]"
1 48 LYS 17.464 1.750 10 7 "[ . * *+* *- *2]"
1 49 ASP 11.672 1.127 5 5 "[ **+- * 1 . 2]"
1 50 SER 13.046 0.506 1 1 "[+ . 1 . 2]"
1 51 LYS 79.677 3.389 11 20 [**-*******+*********]
1 52 THR 59.414 2.803 2 20 [*+***********-******]
1 53 GLU 14.614 0.683 5 6 "[ * +*- 1 *. *]"
1 54 THR 12.647 0.550 11 2 "[ . -+ . 2]"
1 55 LEU 9.372 0.550 11 2 "[ . -+ . 2]"
1 56 GLN 3.066 0.391 19 0 "[ . 1 . 2]"
1 57 ASN 20.108 2.228 7 8 "[- * + **** . *2]"
1 58 ALA 25.853 1.905 19 18 "[*-**.* ***********+*]"
1 59 HIS 144.817 2.688 13 20 [************+-******]
1 60 SER 7.508 0.681 15 6 "[ . * 1*- +* * 2]"
1 61 MET 38.029 2.114 3 15 "[*-+*.****1***** ** 2]"
1 62 ALA 7.459 0.532 6 1 "[ .+ 1 . 2]"
1 63 LEU 12.856 0.918 16 11 "[ -**.*** ** **+ 2]"
1 64 PRO 1.368 0.281 4 0 "[ . 1 . 2]"
1 65 ALA 25.365 1.901 4 13 "[ **+.*** ** -*** *2]"
1 66 LEU 22.761 1.196 11 18 "[ * *****-*+*********]"
1 67 GLU 5.255 0.410 7 0 "[ . 1 . 2]"
1 68 PRO 275.039 6.139 18 20 [******-**********+**]
1 69 SER 119.292 3.301 10 20 [*********+*******-**]
1 70 THR 2.688 0.383 8 0 "[ . 1 . 2]"
1 71 ARG 130.945 3.472 4 20 [***+****-***********]
1 72 TYR 54.860 2.177 18 20 [**********-******+**]
1 73 TRP 39.199 0.694 9 10 "[*** * * +* * . *-2]"
1 74 ALA 35.107 1.085 11 18 "[**********+** .**-**]"
1 75 ARG 4.587 1.156 2 2 "[ + . - . 2]"
1 76 VAL 23.797 1.220 15 14 "[ **** -*****+* * *]"
1 77 ARG 19.244 1.048 6 10 "[* **+ 1 -*** * *2]"
1 78 VAL 30.196 0.813 6 12 "[ ** *+**-1 **.** *]"
1 79 ARG 1.287 0.469 9 0 "[ . 1 . 2]"
1 80 THR 45.173 1.975 1 19 "[+** **-*************]"
1 81 SER 40.671 1.975 1 19 "[+** **-*************]"
1 82 ARG 9.560 0.626 13 8 "[ *** *-1* + . * 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 7.257 0.626 13 8 "[ *** *-1* + . * 2]"
1 86 ASN 0.072 0.072 3 0 "[ . 1 . 2]"
1 87 GLY 3.293 0.288 5 0 "[ . 1 . 2]"
1 88 ILE 16.414 0.611 17 4 "[ *.* - 1 . + 2]"
1 89 TRP 36.090 0.964 8 14 "[ ******+*1 *** ** *]"
1 90 SER 18.084 1.533 8 7 "[ .*-+ 1 *.** *]"
1 91 GLU 45.987 2.145 20 18 "[** ***-*********** +]"
1 92 TRP 14.578 0.530 5 1 "[ + 1 . 2]"
1 93 SER 27.957 1.520 6 20 [**-**+**************]
1 94 GLU 28.656 1.670 15 18 "[* ***** ******+*-***]"
1 95 ALA 44.276 1.520 6 20 [*****+**-***********]
1 96 ARG 15.343 0.878 8 8 "[ ** *+ 1*- .* * 2]"
1 97 SER 11.600 0.828 17 5 "[** . -1 . + *]"
1 98 TRP 75.984 3.472 4 19 "[** +****-***********]"
1 99 ASP 63.210 4.719 4 19 "[***+**** ********-**]"
1 100 THR 40.888 1.354 15 18 "[**-**** ******+*** *]"
1 101 GLU 103.130 3.301 10 20 [*********+***-******]
1 102 SER 94.125 4.719 4 20 [***+*********-******]
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 1 MET HA 1 2 ILE MG 0.000 . 4.260 3.921 3.462 4.509 0.249 15 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 2 ILE MG 0.000 . 3.530 2.832 2.123 3.207 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE HA 1 2 ILE MD 0.000 . 3.880 3.589 3.255 3.873 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE QG 1 2 ILE MG 0.000 . 3.340 2.259 1.964 2.514 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE QG 1 3 GLN QG 0.000 . 3.760 4.271 1.892 6.095 2.335 17 11 "[* **.- ** **. + **]" 1
6 1 2 ILE MG 1 3 GLN QG 0.000 . 4.380 5.053 3.469 6.047 1.667 17 13 "[** *.** *-* **. + **]" 1
7 1 2 ILE MD 1 3 GLN QG 0.000 . 3.920 4.086 2.182 5.934 2.014 19 6 "[ - . *1 * . * +*]" 1
8 1 2 ILE HB 1 3 GLN H 0.000 . 3.540 3.109 1.840 3.956 0.416 13 0 "[ . 1 . 2]" 1
9 1 2 ILE QG 1 3 GLN H 0.000 . 3.610 2.532 1.848 3.903 0.293 15 0 "[ . 1 . 2]" 1
10 1 2 ILE MG 1 3 GLN H 0.000 . 4.320 3.536 2.835 3.858 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE HA 1 3 GLN H 0.000 . 2.720 2.460 2.241 2.826 0.106 5 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 3 GLN H 0.000 . 4.210 2.955 2.092 3.712 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN HA 1 3 GLN QG 0.000 . 4.000 3.032 2.108 3.452 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLN H 1 3 GLN QG 0.000 . 4.440 2.773 1.872 4.036 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLN HB2 1 3 GLN HE22 0.000 . 4.590 4.424 3.334 5.370 0.780 1 4 "[+ . -1* . * 2]" 1
16 1 3 GLN H 1 3 GLN HB2 0.000 . 3.750 3.303 2.071 3.915 0.165 11 0 "[ . 1 . 2]" 1
17 1 3 GLN HB3 1 4 MET H 0.000 . 3.900 3.489 1.941 4.439 0.539 17 1 "[ . 1 . + 2]" 1
18 1 3 GLN HA 1 4 MET H 0.000 . 3.090 3.125 2.174 3.523 0.433 15 0 "[ . 1 . 2]" 1
19 1 3 GLN HB2 1 4 MET H 0.000 . 3.870 3.205 1.948 3.767 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLN HE21 1 88 ILE QG 0.000 . 4.590 3.540 2.671 4.216 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLN HE22 1 88 ILE QG 0.000 . 4.270 2.924 1.970 3.932 . 0 0 "[ . 1 . 2]" 1
22 1 4 MET HA 1 4 MET QG 0.000 . 3.840 2.381 2.019 3.020 . 0 0 "[ . 1 . 2]" 1
23 1 4 MET HA 1 5 ALA H 0.000 . 2.710 2.456 2.102 2.888 0.178 7 0 "[ . 1 . 2]" 1
24 1 4 MET HB3 1 5 ALA H 0.000 . 3.740 3.031 1.892 4.398 0.658 4 1 "[ +. 1 . 2]" 1
25 1 4 MET QG 1 5 ALA H 0.000 . 4.310 3.077 1.925 4.368 0.058 8 0 "[ . 1 . 2]" 1
26 1 4 MET HB2 1 5 ALA H 0.000 . 4.160 3.976 3.439 4.656 0.496 8 0 "[ . 1 . 2]" 1
27 1 4 MET H 1 5 ALA H 0.000 . 4.720 4.335 3.670 4.663 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA H 1 5 ALA MB 0.000 . 2.980 2.458 2.036 2.922 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA HA 1 6 PRO QD 0.000 . 3.480 1.929 1.817 1.979 . 0 0 "[ . 1 . 2]" 1
30 1 5 ALA H 1 6 PRO QD 0.000 . 3.710 3.925 3.664 4.109 0.399 10 0 "[ . 1 . 2]" 1
31 1 6 PRO HB2 1 6 PRO QD 0.000 . 3.710 2.879 2.814 3.518 . 0 0 "[ . 1 . 2]" 1
32 1 6 PRO HA 1 7 PRO HD2 0.000 . 4.320 2.631 2.016 3.155 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO QG 1 93 SER HA 0.000 . 3.880 2.170 1.909 2.559 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO HB3 1 93 SER HA 0.000 . 3.540 2.497 2.034 2.839 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO HB2 1 93 SER HA 0.000 . 3.860 2.117 1.913 2.816 . 0 0 "[ . 1 . 2]" 1
36 1 6 PRO QG 1 91 GLU QG 0.000 . 3.440 4.695 2.567 5.585 2.145 20 18 "[** ****-********** +]" 1
37 1 6 PRO QG 1 94 GLU H 0.000 . 4.110 4.022 3.534 4.641 0.531 17 1 "[ . 1 . + 2]" 1
38 1 6 PRO QD 1 94 GLU H 0.000 . 4.050 5.070 4.397 5.720 1.670 15 18 "[* ***** ******+***-*]" 1
39 1 6 PRO QG 1 93 SER H 0.000 . 4.470 3.476 2.871 4.113 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO HB3 1 93 SER H 0.000 . 4.560 3.157 2.734 3.835 . 0 0 "[ . 1 . 2]" 1
41 1 7 PRO QB 1 8 SER H 0.000 . 3.900 2.101 1.906 2.361 . 0 0 "[ . 1 . 2]" 1
42 1 7 PRO HA 1 8 SER H 0.000 . 2.810 2.679 2.475 2.841 0.031 7 0 "[ . 1 . 2]" 1
43 1 7 PRO QG 1 8 SER H 0.000 . 3.910 3.953 3.601 4.254 0.344 11 0 "[ . 1 . 2]" 1
44 1 7 PRO QB 1 76 VAL MG1 0.000 . 4.120 3.645 3.357 3.857 . 0 0 "[ . 1 . 2]" 1
45 1 7 PRO QG 1 76 VAL MG1 0.000 . 3.400 2.706 1.918 3.668 0.268 8 0 "[ . 1 . 2]" 1
46 1 7 PRO QG 1 22 TRP HD1 0.000 . 4.370 3.299 2.604 4.032 . 0 0 "[ . 1 . 2]" 1
47 1 7 PRO QB 1 24 THR MG 0.000 . 4.050 2.454 1.871 2.974 . 0 0 "[ . 1 . 2]" 1
48 1 7 PRO HD3 1 78 VAL QG 0.000 . 4.030 1.976 1.766 2.462 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO HD2 1 76 VAL MG1 0.000 . 4.270 2.527 2.078 3.246 . 0 0 "[ . 1 . 2]" 1
50 1 7 PRO HD2 1 93 SER HA 0.000 . 4.750 4.816 4.228 5.428 0.678 8 3 "[ - . + 1 .* 2]" 1
51 1 7 PRO QB 1 22 TRP HD1 0.000 . 4.410 3.781 3.223 4.554 0.144 1 0 "[ . 1 . 2]" 1
52 1 7 PRO QG 1 22 TRP QB 0.000 . 4.510 2.571 2.020 3.064 . 0 0 "[ . 1 . 2]" 1
53 1 8 SER H 1 8 SER QB 0.000 . 3.370 2.457 2.214 3.014 . 0 0 "[ . 1 . 2]" 1
54 1 8 SER H 1 9 LEU H 0.000 . 4.420 4.171 3.914 4.595 0.175 9 0 "[ . 1 . 2]" 1
55 1 8 SER HA 1 9 LEU H 0.000 . 3.540 2.263 2.166 2.513 . 0 0 "[ . 1 . 2]" 1
56 1 8 SER QB 1 9 LEU H 0.000 . 3.840 3.561 2.285 4.023 0.183 3 0 "[ . 1 . 2]" 1
57 1 8 SER H 1 23 GLU QB 0.000 . 4.390 3.962 1.886 4.583 0.193 18 0 "[ . 1 . 2]" 1
58 1 8 SER H 1 23 GLU H 0.000 . 3.700 2.651 1.927 3.342 . 0 0 "[ . 1 . 2]" 1
59 1 8 SER QB 1 23 GLU H 0.000 . 4.270 3.345 2.801 4.070 . 0 0 "[ . 1 . 2]" 1
60 1 8 SER QB 1 23 GLU QG 0.000 . 3.350 5.445 3.901 6.207 2.857 9 20 [********+-**********] 1
61 1 8 SER QB 1 23 GLU QB 0.000 . 4.310 3.767 1.926 4.669 0.359 15 0 "[ . 1 . 2]" 1
62 1 9 LEU HA 1 9 LEU QD 0.000 . 3.500 1.973 1.875 2.255 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU HA 1 9 LEU HG 0.000 . 3.930 2.922 2.595 3.387 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU MD1 1 9 LEU MD2 0.000 . 2.870 2.012 1.915 2.090 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 9 LEU HB3 0.000 . 3.690 2.924 2.314 3.515 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 9 LEU QD 0.000 . 4.420 3.761 3.635 3.975 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 9 LEU HB2 0.000 . 3.790 2.477 2.117 2.809 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HA 1 10 ASN H 0.000 . 2.950 2.172 2.116 2.228 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU QD 1 10 ASN H 0.000 . 3.550 1.974 1.810 2.330 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU HG 1 10 ASN H 0.000 . 4.240 3.641 2.632 4.277 0.037 11 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 10 ASN H 0.000 . 4.880 4.505 4.256 4.588 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HB2 1 10 ASN H 0.000 . 4.690 4.233 4.036 4.424 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU QD 1 11 VAL QG 0.000 . 4.050 3.341 2.897 3.623 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HA 1 22 TRP HA 0.000 . 3.760 2.817 1.961 3.152 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU QD 1 22 TRP HA 0.000 . 4.290 3.447 2.628 3.979 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU QD 1 75 ARG HA 0.000 . 3.960 2.275 1.873 2.905 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU QD 1 22 TRP QB 0.000 . 3.950 2.179 1.846 2.909 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU QD 1 98 TRP HZ3 0.000 . 4.270 4.319 3.765 4.717 0.447 18 0 "[ . 1 . 2]" 1
79 1 9 LEU QD 1 20 LEU QD 0.000 . 3.350 2.078 1.831 2.646 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU HB2 1 76 VAL MG1 0.000 . 4.080 2.965 2.159 4.077 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU QD 1 22 TRP HE3 0.000 . 3.300 1.851 1.741 2.129 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU HA 1 22 TRP QB 0.000 . 4.170 2.672 2.250 3.251 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU HA 1 22 TRP HE3 0.000 . 4.730 3.838 3.115 4.269 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU QD 1 76 VAL H 0.000 . 3.970 3.078 2.496 3.624 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU QD 1 96 ARG QB 0.000 . 3.170 3.230 2.585 4.009 0.839 18 2 "[ . - 1 . + 2]" 1
86 1 9 LEU QD 1 74 ALA MB 0.000 . 3.240 2.766 2.444 3.024 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU HB3 1 76 VAL MG1 0.000 . 4.150 4.113 3.355 4.985 0.835 11 2 "[ . -1+ . 2]" 1
88 1 9 LEU QD 1 76 VAL MG1 0.000 . 3.290 2.378 1.887 2.841 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU QD 1 96 ARG H 0.000 . 4.070 3.794 3.078 4.329 0.259 14 0 "[ . 1 . 2]" 1
90 1 9 LEU QD 1 76 VAL HB 0.000 . 3.690 2.409 1.919 2.849 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU QD 1 96 ARG QG 0.000 . 3.430 3.387 2.912 3.690 0.260 12 0 "[ . 1 . 2]" 1
92 1 9 LEU QD 1 20 LEU HG 0.000 . 3.280 3.493 2.169 3.814 0.534 6 4 "[ .+ * - . * 2]" 1
93 1 9 LEU QD 1 95 ALA HA 0.000 . 4.360 4.231 3.727 4.583 0.223 14 0 "[ . 1 . 2]" 1
94 1 9 LEU HA 1 23 GLU H 0.000 . 4.280 4.672 3.684 4.996 0.716 14 8 "[ *-*. **1 +.* *2]" 1
95 1 9 LEU HA 1 76 VAL MG1 0.000 . 4.550 4.111 3.654 4.683 0.133 11 0 "[ . 1 . 2]" 1
96 1 9 LEU HG 1 20 LEU QD 0.000 . 4.380 3.949 3.333 4.819 0.439 2 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 21 ARG H 0.000 . 4.230 2.733 2.221 3.139 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU QD 1 75 ARG H 0.000 . 4.400 3.416 3.068 3.919 . 0 0 "[ . 1 . 2]" 1
99 1 10 ASN H 1 10 ASN QB 0.000 . 3.600 3.126 2.672 3.345 . 0 0 "[ . 1 . 2]" 1
100 1 10 ASN HA 1 11 VAL H 0.000 . 2.820 2.181 2.121 2.399 . 0 0 "[ . 1 . 2]" 1
101 1 10 ASN QB 1 11 VAL H 0.000 . 3.280 3.231 2.948 3.667 0.387 12 0 "[ . 1 . 2]" 1
102 1 10 ASN H 1 11 VAL H 0.000 . 4.600 4.151 3.974 4.383 . 0 0 "[ . 1 . 2]" 1
103 1 10 ASN QB 1 12 THR MG 0.000 . 4.140 3.566 2.866 3.910 . 0 0 "[ . 1 . 2]" 1
104 1 10 ASN QB 1 21 ARG QB 0.000 . 4.050 3.709 2.477 4.373 0.323 8 0 "[ . 1 . 2]" 1
105 1 10 ASN HD22 1 21 ARG QB 0.000 . 4.050 2.383 1.895 3.845 . 0 0 "[ . 1 . 2]" 1
106 1 10 ASN H 1 22 TRP HA 0.000 . 4.230 4.116 3.581 4.412 0.182 8 0 "[ . 1 . 2]" 1
107 1 10 ASN H 1 21 ARG H 0.000 . 4.040 2.430 2.035 2.720 . 0 0 "[ . 1 . 2]" 1
108 1 10 ASN H 1 22 TRP QB 0.000 . 4.700 4.131 3.719 4.652 . 0 0 "[ . 1 . 2]" 1
109 1 10 ASN QB 1 21 ARG H 0.000 . 4.850 4.226 3.300 4.796 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL MG1 1 11 VAL MG2 0.000 . 2.730 1.981 1.863 2.089 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL H 1 11 VAL QG 0.000 . 3.630 2.287 1.974 2.571 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL H 1 11 VAL HB 0.000 . 3.540 2.827 2.457 3.728 0.188 14 0 "[ . 1 . 2]" 1
113 1 11 VAL QG 1 12 THR HA 0.000 . 4.830 3.582 3.356 3.949 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL HA 1 12 THR H 0.000 . 2.810 2.159 2.116 2.202 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL QG 1 12 THR H 0.000 . 3.630 2.660 2.055 3.606 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL HB 1 12 THR H 0.000 . 4.090 3.889 2.910 4.353 0.263 11 0 "[ . 1 . 2]" 1
117 1 11 VAL QG 1 98 TRP HE3 0.000 . 3.580 2.313 1.861 2.710 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL QG 1 18 TYR QE 0.000 . 3.820 3.455 3.120 3.820 0.000 13 0 "[ . 1 . 2]" 1
119 1 11 VAL QG 1 18 TYR QD 0.000 . 3.420 2.199 1.805 3.033 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL QG 1 98 TRP HZ3 0.000 . 4.090 3.096 2.616 3.456 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL HA 1 20 LEU QD 0.000 . 4.140 3.017 2.555 3.351 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL QG 1 98 TRP HD1 0.000 . 4.270 3.196 2.740 3.535 . 0 0 "[ . 1 . 2]" 1
123 1 11 VAL QG 1 20 LEU QD 0.000 . 3.210 2.264 1.671 2.653 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL QG 1 96 ARG QG 0.000 . 4.210 4.289 3.252 5.088 0.878 8 6 "[ ** + 1*- .* 2]" 1
125 1 11 VAL QG 1 20 LEU HA 0.000 . 4.840 3.165 2.541 3.592 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL QG 1 98 TRP HB2 0.000 . 4.040 2.842 2.379 3.301 . 0 0 "[ . 1 . 2]" 1
127 1 11 VAL QG 1 98 TRP HB3 0.000 . 4.250 2.388 1.981 3.008 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL QG 1 63 LEU QD 0.000 . 3.940 2.552 2.147 2.918 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL QG 1 98 TRP HZ2 0.000 . 4.740 3.749 3.325 4.071 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL QG 1 19 SER H 0.000 . 4.580 3.175 2.518 4.124 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL QG 1 18 TYR HB2 0.000 . 4.330 3.866 3.285 4.653 0.323 14 0 "[ . 1 . 2]" 1
132 1 11 VAL HA 1 21 ARG H 0.000 . 4.510 3.747 3.120 4.118 . 0 0 "[ . 1 . 2]" 1
133 1 11 VAL HA 1 19 SER H 0.000 . 4.920 4.060 3.608 4.367 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL HA 1 21 ARG HE 0.000 . 4.280 8.860 7.329 9.937 5.657 19 20 [*********-********+*] 1
135 1 12 THR HA 1 12 THR HB 0.000 . 2.790 2.373 2.310 2.505 . 0 0 "[ . 1 . 2]" 1
136 1 12 THR HA 1 12 THR MG 0.000 . 3.140 2.536 2.284 2.635 . 0 0 "[ . 1 . 2]" 1
137 1 12 THR HB 1 12 THR MG 0.000 . 2.540 2.099 2.072 2.120 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR H 1 12 THR MG 0.000 . 3.750 2.679 2.106 2.983 . 0 0 "[ . 1 . 2]" 1
139 1 12 THR H 1 12 THR HB 0.000 . 4.170 3.839 3.684 3.978 . 0 0 "[ . 1 . 2]" 1
140 1 12 THR HB 1 13 LYS H 0.000 . 3.130 3.404 3.223 3.444 0.314 3 0 "[ . 1 . 2]" 1
141 1 12 THR MG 1 13 LYS H 0.000 . 3.450 4.182 3.937 4.280 0.830 4 19 "[*-*+* **************]" 1
142 1 12 THR MG 1 21 ARG HD2 0.000 . 4.040 3.576 2.866 4.300 0.260 8 0 "[ . 1 . 2]" 1
143 1 12 THR MG 1 21 ARG HD3 0.000 . 3.690 3.044 2.062 4.477 0.787 20 1 "[ . 1 . +]" 1
144 1 12 THR MG 1 21 ARG QB 0.000 . 3.830 2.470 1.986 2.874 . 0 0 "[ . 1 . 2]" 1
145 1 12 THR MG 1 21 ARG HE 0.000 . 4.640 4.623 2.974 6.012 1.372 15 5 "[ *. - 1 *+ *2]" 1
146 1 12 THR H 1 18 TYR HB3 0.000 . 4.300 4.498 3.891 4.740 0.440 16 0 "[ . 1 . 2]" 1
147 1 13 LYS HA 1 13 LYS QG 0.000 . 3.990 2.959 2.021 3.451 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS QB 1 13 LYS QE 0.000 . 4.110 3.172 2.436 3.634 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS H 1 13 LYS QB 0.000 . 3.300 2.435 2.090 2.957 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS HA 1 14 ASP H 0.000 . 2.810 2.361 2.155 2.605 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS QG 1 14 ASP H 0.000 . 4.000 3.174 2.286 3.714 . 0 0 "[ . 1 . 2]" 1
152 1 13 LYS QB 1 14 ASP H 0.000 . 4.500 2.739 1.970 3.698 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS QG 1 15 GLY QA 0.000 . 4.890 4.641 3.267 5.753 0.863 17 4 "[ . * *- . + 2]" 1
154 1 13 LYS QG 1 15 GLY H 0.000 . 4.420 3.124 2.005 4.653 0.233 17 0 "[ . 1 . 2]" 1
155 1 13 LYS QD 1 15 GLY H 0.000 . 4.400 3.628 1.962 4.521 0.121 9 0 "[ . 1 . 2]" 1
156 1 13 LYS HA 1 18 TYR HA 0.000 . 3.750 2.334 1.940 2.801 . 0 0 "[ . 1 . 2]" 1
157 1 13 LYS QB 1 18 TYR QE 0.000 . 4.180 3.061 2.208 4.472 0.292 13 0 "[ . 1 . 2]" 1
158 1 13 LYS QD 1 18 TYR QE 0.000 . 3.940 2.804 1.999 4.170 0.230 19 0 "[ . 1 . 2]" 1
159 1 13 LYS HA 1 18 TYR QD 0.000 . 4.260 3.816 2.785 4.093 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS QE 1 18 TYR QE 0.000 . 4.170 3.736 2.451 4.660 0.490 19 0 "[ . 1 . 2]" 1
161 1 13 LYS QB 1 18 TYR QD 0.000 . 4.320 3.015 2.302 4.651 0.331 13 0 "[ . 1 . 2]" 1
162 1 13 LYS HA 1 18 TYR QE 0.000 . 4.380 4.835 4.196 4.981 0.601 4 10 "[* *+. - ** ** **2]" 1
163 1 13 LYS QG 1 18 TYR HA 0.000 . 4.720 4.307 2.975 4.863 0.143 7 0 "[ . 1 . 2]" 1
164 1 13 LYS HA 1 19 SER H 0.000 . 3.900 3.547 3.158 4.086 0.186 5 0 "[ . 1 . 2]" 1
165 1 13 LYS QG 1 18 TYR QE 0.000 . 4.210 3.392 2.371 4.222 0.012 7 0 "[ . 1 . 2]" 1
166 1 13 LYS H 1 18 TYR HA 0.000 . 4.460 4.532 4.151 4.927 0.467 18 0 "[ . 1 . 2]" 1
167 1 14 ASP H 1 14 ASP HB3 0.000 . 3.850 3.588 3.080 3.991 0.141 20 0 "[ . 1 . 2]" 1
168 1 14 ASP H 1 14 ASP HB2 0.000 . 3.790 2.981 2.391 3.898 0.108 10 0 "[ . 1 . 2]" 1
169 1 14 ASP HA 1 15 GLY H 0.000 . 2.650 2.741 2.445 2.837 0.187 16 0 "[ . 1 . 2]" 1
170 1 14 ASP HB2 1 15 GLY H 0.000 . 4.290 4.384 4.177 4.605 0.315 17 0 "[ . 1 . 2]" 1
171 1 14 ASP HB3 1 15 GLY H 0.000 . 4.250 4.384 4.195 4.667 0.417 12 0 "[ . 1 . 2]" 1
172 1 14 ASP H 1 17 SER H 0.000 . 4.080 3.432 2.470 4.219 0.139 4 0 "[ . 1 . 2]" 1
173 1 14 ASP H 1 18 TYR HA 0.000 . 3.950 4.011 3.677 4.305 0.355 6 0 "[ . 1 . 2]" 1
174 1 15 GLY QA 1 16 ASP H 0.000 . 3.040 2.579 2.223 2.934 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLY QA 1 17 SER H 0.000 . 4.540 3.985 3.566 4.702 0.162 14 0 "[ . 1 . 2]" 1
176 1 16 ASP H 1 16 ASP HB2 0.000 . 3.500 3.370 2.616 4.067 0.567 12 1 "[ . 1 + . 2]" 1
177 1 16 ASP H 1 16 ASP HB3 0.000 . 3.800 3.826 3.290 4.090 0.290 20 0 "[ . 1 . 2]" 1
178 1 16 ASP H 1 17 SER H 0.000 . 3.320 2.697 1.939 3.517 0.197 20 0 "[ . 1 . 2]" 1
179 1 16 ASP HA 1 17 SER H 0.000 . 3.710 3.315 2.895 3.572 . 0 0 "[ . 1 . 2]" 1
180 1 16 ASP HB2 1 17 SER H 0.000 . 4.260 3.566 2.253 4.410 0.150 13 0 "[ . 1 . 2]" 1
181 1 17 SER H 1 17 SER QB 0.000 . 3.750 2.500 2.062 3.231 . 0 0 "[ . 1 . 2]" 1
182 1 17 SER HA 1 18 TYR H 0.000 . 2.750 2.230 2.142 2.471 . 0 0 "[ . 1 . 2]" 1
183 1 17 SER QB 1 18 TYR H 0.000 . 3.770 3.291 2.328 3.815 0.045 16 0 "[ . 1 . 2]" 1
184 1 17 SER H 1 18 TYR H 0.000 . 4.580 4.345 3.658 4.630 0.050 14 0 "[ . 1 . 2]" 1
185 1 17 SER QB 1 62 ALA MB 0.000 . 4.830 4.598 4.150 5.176 0.346 4 0 "[ . 1 . 2]" 1
186 1 18 TYR HB3 1 18 TYR QD 0.000 . 3.480 2.361 2.285 2.504 . 0 0 "[ . 1 . 2]" 1
187 1 18 TYR HB2 1 18 TYR QD 0.000 . 3.360 2.496 2.318 2.769 . 0 0 "[ . 1 . 2]" 1
188 1 18 TYR HA 1 18 TYR QD 0.000 . 4.010 2.950 2.243 3.196 . 0 0 "[ . 1 . 2]" 1
189 1 18 TYR HB3 1 18 TYR QE 0.000 . 4.920 4.406 4.386 4.444 . 0 0 "[ . 1 . 2]" 1
190 1 18 TYR H 1 18 TYR HB2 0.000 . 3.870 2.476 2.295 2.724 . 0 0 "[ . 1 . 2]" 1
191 1 18 TYR H 1 18 TYR HB3 0.000 . 3.570 3.673 3.563 3.828 0.258 13 0 "[ . 1 . 2]" 1
192 1 18 TYR H 1 18 TYR QD 0.000 . 3.250 2.537 2.215 2.807 . 0 0 "[ . 1 . 2]" 1
193 1 18 TYR HA 1 19 SER H 0.000 . 3.470 2.271 2.119 2.423 . 0 0 "[ . 1 . 2]" 1
194 1 18 TYR HB3 1 19 SER H 0.000 . 3.810 2.795 2.373 3.436 . 0 0 "[ . 1 . 2]" 1
195 1 18 TYR QD 1 19 SER H 0.000 . 4.740 3.909 3.495 4.428 . 0 0 "[ . 1 . 2]" 1
196 1 18 TYR HB2 1 19 SER H 0.000 . 4.500 3.939 3.659 4.299 . 0 0 "[ . 1 . 2]" 1
197 1 18 TYR QE 1 98 TRP HD1 0.000 . 3.530 2.874 1.963 3.398 . 0 0 "[ . 1 . 2]" 1
198 1 18 TYR QD 1 98 TRP HD1 0.000 . 3.910 3.382 2.408 4.116 0.206 20 0 "[ . 1 . 2]" 1
199 1 18 TYR QD 1 66 LEU QD 0.000 . 3.620 3.038 2.102 3.382 . 0 0 "[ . 1 . 2]" 1
200 1 18 TYR QE 1 66 LEU QD 0.000 . 4.030 4.330 3.629 4.428 0.398 6 0 "[ . 1 . 2]" 1
201 1 18 TYR QD 1 63 LEU QD 0.000 . 3.980 3.635 2.417 3.961 . 0 0 "[ . 1 . 2]" 1
202 1 18 TYR HB3 1 63 LEU QD 0.000 . 3.840 2.370 1.856 2.750 . 0 0 "[ . 1 . 2]" 1
203 1 18 TYR QE 1 100 THR HA 0.000 . 3.910 2.595 2.043 3.400 . 0 0 "[ . 1 . 2]" 1
204 1 18 TYR HB2 1 63 LEU QD 0.000 . 3.870 2.372 2.048 2.747 . 0 0 "[ . 1 . 2]" 1
205 1 18 TYR HB2 1 63 LEU QB 0.000 . 3.940 2.651 2.234 3.084 . 0 0 "[ . 1 . 2]" 1
206 1 18 TYR QD 1 98 TRP HE1 0.000 . 3.840 3.193 2.158 3.702 . 0 0 "[ . 1 . 2]" 1
207 1 18 TYR H 1 63 LEU QB 0.000 . 4.510 3.428 2.847 3.733 . 0 0 "[ . 1 . 2]" 1
208 1 18 TYR H 1 63 LEU QD 0.000 . 4.430 4.073 3.586 4.451 0.021 16 0 "[ . 1 . 2]" 1
209 1 18 TYR QE 1 101 GLU H 0.000 . 4.520 4.581 3.505 4.989 0.469 11 0 "[ . 1 . 2]" 1
210 1 19 SER H 1 19 SER HB2 0.000 . 4.210 3.668 3.100 3.992 . 0 0 "[ . 1 . 2]" 1
211 1 19 SER H 1 19 SER HB3 0.000 . 4.340 3.354 2.575 3.947 . 0 0 "[ . 1 . 2]" 1
212 1 19 SER HA 1 20 LEU H 0.000 . 3.270 2.225 2.189 2.283 . 0 0 "[ . 1 . 2]" 1
213 1 19 SER HB3 1 20 LEU H 0.000 . 4.240 3.901 3.143 4.341 0.101 5 0 "[ . 1 . 2]" 1
214 1 19 SER HB2 1 20 LEU H 0.000 . 4.360 3.391 2.794 3.936 . 0 0 "[ . 1 . 2]" 1
215 1 19 SER HA 1 63 LEU QD 0.000 . 4.820 2.830 2.522 3.234 . 0 0 "[ . 1 . 2]" 1
216 1 19 SER HA 1 63 LEU H 0.000 . 3.870 2.615 2.110 3.844 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU HA 1 20 LEU QD 0.000 . 3.630 2.439 1.900 2.716 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU HA 1 20 LEU HG 0.000 . 3.960 3.687 3.376 3.738 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU MD1 1 20 LEU MD2 0.000 . 2.890 1.977 1.881 2.080 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU H 1 20 LEU QD 0.000 . 4.360 2.080 1.920 2.235 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HA 1 21 ARG H 0.000 . 3.310 2.276 2.132 2.449 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU QD 1 21 ARG H 0.000 . 4.110 3.982 3.483 4.254 0.144 15 0 "[ . 1 . 2]" 1
223 1 20 LEU HG 1 22 TRP HH2 0.000 . 3.730 3.748 3.609 3.832 0.102 2 0 "[ . 1 . 2]" 1
224 1 20 LEU HG 1 22 TRP HE3 0.000 . 3.740 4.006 3.505 4.109 0.369 19 0 "[ . 1 . 2]" 1
225 1 20 LEU QD 1 98 TRP HZ2 0.000 . 4.140 3.904 3.759 3.999 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU QD 1 74 ALA MB 0.000 . 3.280 2.544 2.288 2.877 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU QD 1 63 LEU QD 0.000 . 3.270 1.650 1.503 1.790 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU QD 1 61 MET ME 0.000 . 3.800 2.798 1.828 3.620 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU QD 1 61 MET HG3 0.000 . 4.420 3.664 2.806 5.173 0.753 6 1 "[ .+ 1 . 2]" 1
230 1 20 LEU HG 1 63 LEU QD 0.000 . 3.660 3.397 3.136 3.717 0.057 16 0 "[ . 1 . 2]" 1
231 1 20 LEU HA 1 63 LEU QD 0.000 . 4.940 4.237 3.749 4.457 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HG 1 61 MET ME 0.000 . 3.800 3.840 2.274 5.914 2.114 3 6 "[ -+ . *1 ** * 2]" 1
233 1 20 LEU QD 1 38 ILE HB 0.000 . 3.990 4.105 3.815 4.529 0.539 3 1 "[ + . 1 . 2]" 1
234 1 20 LEU QD 1 38 ILE QG 0.000 . 3.220 2.803 1.958 3.484 0.264 2 0 "[ . 1 . 2]" 1
235 1 20 LEU QD 1 98 TRP HH2 0.000 . 4.440 3.120 2.762 3.406 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU H 1 63 LEU HG 0.000 . 4.400 3.639 3.189 4.008 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU H 1 63 LEU QD 0.000 . 4.830 3.462 3.254 3.801 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU H 1 62 ALA HA 0.000 . 4.250 4.423 3.824 4.665 0.415 18 0 "[ . 1 . 2]" 1
239 1 20 LEU H 1 63 LEU H 0.000 . 4.110 3.912 3.416 4.549 0.439 17 0 "[ . 1 . 2]" 1
240 1 20 LEU QB 1 61 MET H 0.000 . 4.640 3.535 2.116 4.021 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU H 1 61 MET H 0.000 . 4.100 2.735 2.288 3.012 . 0 0 "[ . 1 . 2]" 1
242 1 21 ARG H 1 21 ARG HG3 0.000 . 4.030 4.441 3.838 4.698 0.668 5 8 "[* * + **1 *. *- 2]" 1
243 1 21 ARG HA 1 22 TRP H 0.000 . 2.900 2.209 2.124 2.360 . 0 0 "[ . 1 . 2]" 1
244 1 21 ARG H 1 22 TRP HE3 0.000 . 4.300 3.814 3.187 4.522 0.222 11 0 "[ . 1 . 2]" 1
245 1 21 ARG HG2 1 22 TRP H 0.000 . 4.520 4.314 3.042 5.037 0.517 8 1 "[ . + 1 . 2]" 1
246 1 21 ARG QB 1 22 TRP H 0.000 . 4.020 3.887 3.564 4.007 . 0 0 "[ . 1 . 2]" 1
247 1 21 ARG HA 1 60 SER HA 0.000 . 3.550 3.231 2.708 3.632 0.082 8 0 "[ . 1 . 2]" 1
248 1 21 ARG H 1 60 SER HA 0.000 . 4.510 4.815 4.361 5.191 0.681 15 6 "[ . * 1*- +* * 2]" 1
249 1 21 ARG QB 1 60 SER QB 0.000 . 4.510 3.734 3.210 4.165 . 0 0 "[ . 1 . 2]" 1
250 1 22 TRP H 1 22 TRP HE3 0.000 . 4.300 3.162 2.471 3.932 . 0 0 "[ . 1 . 2]" 1
251 1 22 TRP HA 1 22 TRP HD1 0.000 . 4.640 4.389 4.276 4.516 . 0 0 "[ . 1 . 2]" 1
252 1 22 TRP HA 1 22 TRP HE3 0.000 . 4.460 4.295 4.116 4.466 0.006 12 0 "[ . 1 . 2]" 1
253 1 22 TRP HA 1 23 GLU H 0.000 . 3.410 2.170 2.134 2.396 . 0 0 "[ . 1 . 2]" 1
254 1 22 TRP QB 1 23 GLU H 0.000 . 4.070 3.171 2.422 3.626 . 0 0 "[ . 1 . 2]" 1
255 1 22 TRP H 1 23 GLU H 0.000 . 4.860 4.372 4.184 4.564 . 0 0 "[ . 1 . 2]" 1
256 1 22 TRP HD1 1 24 THR MG 0.000 . 4.660 3.833 3.394 4.139 . 0 0 "[ . 1 . 2]" 1
257 1 22 TRP HD1 1 36 PHE QE 0.000 . 3.640 3.458 2.965 4.203 0.563 1 1 "[+ . 1 . 2]" 1
258 1 22 TRP HD1 1 59 HIS HD2 0.000 . 3.890 2.729 2.027 4.132 0.242 11 0 "[ . 1 . 2]" 1
259 1 22 TRP HZ2 1 59 HIS HA 0.000 . 4.160 4.217 3.644 4.647 0.487 1 0 "[ . 1 . 2]" 1
260 1 22 TRP HH2 1 61 MET HB2 0.000 . 3.600 3.018 1.868 3.733 0.133 12 0 "[ . 1 . 2]" 1
261 1 22 TRP HH2 1 61 MET HB3 0.000 . 3.550 2.209 1.909 3.583 0.033 17 0 "[ . 1 . 2]" 1
262 1 22 TRP HZ2 1 58 ALA MB 0.000 . 3.680 2.892 2.104 3.770 0.090 2 0 "[ . 1 . 2]" 1
263 1 22 TRP HD1 1 59 HIS HA 0.000 . 4.190 2.696 2.047 3.267 . 0 0 "[ . 1 . 2]" 1
264 1 22 TRP HZ2 1 38 ILE MD 0.000 . 4.120 2.513 2.044 3.126 . 0 0 "[ . 1 . 2]" 1
265 1 22 TRP HH2 1 38 ILE MD 0.000 . 3.750 2.650 1.974 3.491 . 0 0 "[ . 1 . 2]" 1
266 1 22 TRP HH2 1 60 SER HA 0.000 . 4.000 3.314 2.913 3.965 . 0 0 "[ . 1 . 2]" 1
267 1 22 TRP HH2 1 61 MET HA 0.000 . 4.270 3.842 3.176 4.522 0.252 2 0 "[ . 1 . 2]" 1
268 1 22 TRP HE1 1 36 PHE QE 0.000 . 3.800 3.701 3.241 4.382 0.582 2 2 "[ +- . 1 . 2]" 1
269 1 22 TRP HD1 1 36 PHE HZ 0.000 . 4.180 4.009 3.371 4.681 0.501 2 1 "[ + . 1 . 2]" 1
270 1 22 TRP HD1 1 36 PHE QD 0.000 . 4.160 3.854 3.156 4.635 0.475 1 0 "[ . 1 . 2]" 1
271 1 22 TRP HE1 1 59 HIS HA 0.000 . 3.570 2.329 1.940 2.817 . 0 0 "[ . 1 . 2]" 1
272 1 22 TRP HE1 1 36 PHE QD 0.000 . 3.860 3.157 2.558 4.069 0.209 2 0 "[ . 1 . 2]" 1
273 1 22 TRP HH2 1 61 MET H 0.000 . 3.830 3.116 2.564 3.760 . 0 0 "[ . 1 . 2]" 1
274 1 22 TRP H 1 60 SER HA 0.000 . 3.770 3.366 3.127 4.091 0.321 8 0 "[ . 1 . 2]" 1
275 1 22 TRP HZ2 1 60 SER H 0.000 . 3.740 2.914 2.505 3.521 . 0 0 "[ . 1 . 2]" 1
276 1 22 TRP HE1 1 36 PHE HZ 0.000 . 4.150 4.600 4.122 5.413 1.263 1 7 "[+** * 1 .* *-]" 1
277 1 22 TRP HE3 1 76 VAL MG1 0.000 . 4.410 3.837 2.629 4.626 0.216 16 0 "[ . 1 . 2]" 1
278 1 22 TRP HZ3 1 60 SER HA 0.000 . 4.290 3.319 2.567 4.563 0.273 1 0 "[ . 1 . 2]" 1
279 1 22 TRP HD1 1 59 HIS HE1 0.000 . 4.440 6.203 5.345 6.890 2.450 6 20 [*****+***-**********] 1
280 1 22 TRP HH2 1 61 MET HG2 0.000 . 4.420 3.384 2.229 4.804 0.384 6 0 "[ . 1 . 2]" 1
281 1 22 TRP HZ2 1 36 PHE QB 0.000 . 4.630 3.458 2.955 4.061 . 0 0 "[ . 1 . 2]" 1
282 1 22 TRP HD1 1 76 VAL MG2 0.000 . 4.560 4.166 3.373 4.735 0.175 3 0 "[ . 1 . 2]" 1
283 1 22 TRP HD1 1 76 VAL MG1 0.000 . 4.620 4.406 3.926 4.944 0.324 1 0 "[ . 1 . 2]" 1
284 1 22 TRP QB 1 76 VAL MG1 0.000 . 4.450 2.558 2.235 2.869 . 0 0 "[ . 1 . 2]" 1
285 1 22 TRP HH2 1 38 ILE QG 0.000 . 4.650 2.450 1.866 3.247 . 0 0 "[ . 1 . 2]" 1
286 1 22 TRP H 1 59 HIS HB3 0.000 . 4.380 3.789 3.186 4.827 0.447 10 0 "[ . 1 . 2]" 1
287 1 22 TRP HE1 1 59 HIS HB3 0.000 . 4.840 4.900 4.397 5.351 0.511 14 1 "[ . 1 +. 2]" 1
288 1 22 TRP H 1 59 HIS HA 0.000 . 4.020 3.814 3.397 4.395 0.375 10 0 "[ . 1 . 2]" 1
289 1 22 TRP HE1 1 58 ALA H 0.000 . 4.160 4.047 3.689 4.548 0.388 1 0 "[ . 1 . 2]" 1
290 1 23 GLU H 1 23 GLU QG 0.000 . 4.400 3.805 3.032 4.179 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLU QB 1 24 THR H 0.000 . 4.250 3.253 2.014 3.827 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLU QG 1 24 THR H 0.000 . 4.310 3.148 2.034 4.131 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLU HA 1 24 THR H 0.000 . 2.810 2.247 2.139 2.983 0.173 10 0 "[ . 1 . 2]" 1
294 1 24 THR H 1 24 THR MG 0.000 . 4.040 3.071 2.488 3.998 . 0 0 "[ . 1 . 2]" 1
295 1 24 THR MG 1 25 MET H 0.000 . 4.110 3.313 2.360 4.243 0.133 10 0 "[ . 1 . 2]" 1
296 1 24 THR HA 1 25 MET H 0.000 . 3.240 2.382 2.178 3.510 0.270 10 0 "[ . 1 . 2]" 1
297 1 24 THR MG 1 36 PHE HZ 0.000 . 4.050 2.511 1.856 3.220 . 0 0 "[ . 1 . 2]" 1
298 1 24 THR MG 1 36 PHE QE 0.000 . 3.370 2.140 1.811 2.561 . 0 0 "[ . 1 . 2]" 1
299 1 24 THR MG 1 59 HIS HD2 0.000 . 4.190 4.107 3.228 4.534 0.344 8 0 "[ . 1 . 2]" 1
300 1 24 THR HB 1 59 HIS HD2 0.000 . 4.260 6.157 5.342 6.948 2.688 13 20 [*****-******+*******] 1
301 1 24 THR MG 1 78 VAL QG 0.000 . 3.800 2.016 1.780 2.474 . 0 0 "[ . 1 . 2]" 1
302 1 24 THR HB 1 36 PHE QE 0.000 . 4.480 4.757 4.050 5.344 0.864 13 5 "[ . - *+ . **2]" 1
303 1 25 MET H 1 25 MET QB 0.000 . 3.420 2.951 2.188 3.484 0.064 10 0 "[ . 1 . 2]" 1
304 1 25 MET H 1 25 MET QG 0.000 . 4.310 3.092 2.298 4.104 . 0 0 "[ . 1 . 2]" 1
305 1 25 MET QB 1 26 LYS H 0.000 . 3.670 3.745 3.074 4.052 0.382 20 0 "[ . 1 . 2]" 1
306 1 25 MET HA 1 26 LYS H 0.000 . 3.060 3.034 2.783 3.412 0.352 11 0 "[ . 1 . 2]" 1
307 1 26 LYS QB 1 26 LYS QE 0.000 . 4.170 3.157 2.007 3.788 . 0 0 "[ . 1 . 2]" 1
308 1 26 LYS HA 1 26 LYS QE 0.000 . 4.690 4.048 1.862 4.594 . 0 0 "[ . 1 . 2]" 1
309 1 26 LYS H 1 26 LYS QB 0.000 . 3.540 2.853 2.299 3.490 . 0 0 "[ . 1 . 2]" 1
310 1 26 LYS HA 1 27 MET H 0.000 . 2.990 3.096 2.887 3.316 0.326 18 0 "[ . 1 . 2]" 1
311 1 26 LYS QB 1 27 MET H 0.000 . 3.640 3.681 3.406 3.999 0.359 13 0 "[ . 1 . 2]" 1
312 1 26 LYS QG 1 27 MET H 0.000 . 4.580 4.356 3.033 4.965 0.385 14 0 "[ . 1 . 2]" 1
313 1 27 MET HA 1 27 MET QG 0.000 . 3.720 3.175 2.220 3.512 . 0 0 "[ . 1 . 2]" 1
314 1 27 MET H 1 27 MET QG 0.000 . 3.860 2.948 1.898 4.061 0.201 8 0 "[ . 1 . 2]" 1
315 1 27 MET ME 1 27 MET QG 0.000 . 3.320 2.208 1.968 2.515 . 0 0 "[ . 1 . 2]" 1
316 1 27 MET H 1 27 MET HB3 0.000 . 3.840 3.622 2.600 3.984 0.144 11 0 "[ . 1 . 2]" 1
317 1 27 MET HB2 1 28 ARG H 0.000 . 4.170 3.308 2.100 4.618 0.448 6 0 "[ . 1 . 2]" 1
318 1 27 MET HB3 1 28 ARG H 0.000 . 3.890 3.792 2.104 4.658 0.768 10 4 "[ * * - + . 2]" 1
319 1 27 MET QG 1 28 ARG H 0.000 . 4.320 2.982 1.882 4.459 0.139 7 0 "[ . 1 . 2]" 1
320 1 28 ARG HA 1 28 ARG HG3 0.000 . 4.120 3.213 2.408 3.882 . 0 0 "[ . 1 . 2]" 1
321 1 28 ARG HA 1 28 ARG HG2 0.000 . 4.190 2.923 2.486 3.547 . 0 0 "[ . 1 . 2]" 1
322 1 28 ARG HA 1 29 TYR H 0.000 . 3.400 2.953 2.474 3.574 0.174 16 0 "[ . 1 . 2]" 1
323 1 28 ARG QB 1 29 TYR H 0.000 . 4.490 3.631 2.095 3.922 . 0 0 "[ . 1 . 2]" 1
324 1 29 TYR HB2 1 29 TYR QD 0.000 . 3.340 2.403 2.263 2.742 . 0 0 "[ . 1 . 2]" 1
325 1 29 TYR HA 1 29 TYR QD 0.000 . 3.480 2.318 1.921 3.643 0.163 9 0 "[ . 1 . 2]" 1
326 1 29 TYR HB3 1 29 TYR QD 0.000 . 3.480 2.608 2.257 2.766 . 0 0 "[ . 1 . 2]" 1
327 1 29 TYR H 1 29 TYR QD 0.000 . 4.550 3.293 2.193 4.141 . 0 0 "[ . 1 . 2]" 1
328 1 29 TYR H 1 29 TYR HB3 0.000 . 3.920 3.581 3.268 4.070 0.150 16 0 "[ . 1 . 2]" 1
329 1 29 TYR H 1 29 TYR HB2 0.000 . 4.080 2.468 2.086 3.538 . 0 0 "[ . 1 . 2]" 1
330 1 29 TYR HA 1 30 GLU H 0.000 . 3.050 3.332 2.657 3.574 0.524 11 5 "[ * .- * 1+ * . 2]" 1
331 1 29 TYR QD 1 30 GLU H 0.000 . 4.270 3.785 2.100 4.310 0.040 20 0 "[ . 1 . 2]" 1
332 1 29 TYR HB2 1 30 GLU H 0.000 . 4.590 2.489 1.831 3.626 . 0 0 "[ . 1 . 2]" 1
333 1 29 TYR HB3 1 32 ILE MD 0.000 . 4.870 2.770 1.830 4.709 . 0 0 "[ . 1 . 2]" 1
334 1 29 TYR QE 1 32 ILE MD 0.000 . 4.930 4.031 1.962 4.898 . 0 0 "[ . 1 . 2]" 1
335 1 29 TYR QE 1 32 ILE QG 0.000 . 4.860 5.587 3.936 6.312 1.452 12 13 "[** .*-* * +* * ****]" 1
336 1 30 GLU HA 1 30 GLU HG3 0.000 . 3.870 2.695 2.023 3.973 0.103 8 0 "[ . 1 . 2]" 1
337 1 30 GLU H 1 30 GLU QB 0.000 . 3.560 2.725 2.107 3.335 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLU QB 1 31 HIS HD2 0.000 . 4.050 3.718 1.965 4.388 0.338 9 0 "[ . 1 . 2]" 1
339 1 30 GLU QB 1 32 ILE MD 0.000 . 4.000 4.062 3.672 4.583 0.583 14 2 "[ . 1- +. 2]" 1
340 1 30 GLU QB 1 32 ILE MG 0.000 . 3.870 5.239 4.397 5.905 2.035 18 20 [*****************+*-] 1
341 1 30 GLU QB 1 32 ILE QG 0.000 . 3.570 3.231 2.586 3.706 0.136 18 0 "[ . 1 . 2]" 1
342 1 30 GLU H 1 32 ILE MD 0.000 . 4.500 2.898 1.888 4.518 0.018 9 0 "[ . 1 . 2]" 1
343 1 31 HIS HB3 1 31 HIS HD2 0.000 . 4.050 3.715 2.858 3.972 . 0 0 "[ . 1 . 2]" 1
344 1 31 HIS HB2 1 31 HIS HD2 0.000 . 4.120 3.324 2.687 3.929 . 0 0 "[ . 1 . 2]" 1
345 1 31 HIS HD2 1 32 ILE MG 0.000 . 4.620 7.086 5.002 8.207 3.587 11 18 "[ ** ******+****-****]" 1
346 1 31 HIS HA 1 32 ILE H 0.000 . 3.080 2.917 2.174 3.525 0.445 8 0 "[ . 1 . 2]" 1
347 1 31 HIS HB2 1 32 ILE H 0.000 . 4.740 3.639 1.867 4.488 . 0 0 "[ . 1 . 2]" 1
348 1 31 HIS HB3 1 32 ILE H 0.000 . 4.690 3.909 2.381 4.638 . 0 0 "[ . 1 . 2]" 1
349 1 32 ILE HA 1 32 ILE MG 0.000 . 3.550 2.223 1.942 2.529 . 0 0 "[ . 1 . 2]" 1
350 1 32 ILE HA 1 32 ILE MD 0.000 . 3.890 3.877 3.795 3.998 0.108 20 0 "[ . 1 . 2]" 1
351 1 32 ILE QG 1 32 ILE MG 0.000 . 3.310 2.261 1.975 2.398 . 0 0 "[ . 1 . 2]" 1
352 1 32 ILE HB 1 32 ILE MD 0.000 . 3.740 2.375 1.972 2.564 . 0 0 "[ . 1 . 2]" 1
353 1 32 ILE H 1 32 ILE MG 0.000 . 4.220 3.823 3.565 4.025 . 0 0 "[ . 1 . 2]" 1
354 1 32 ILE H 1 32 ILE HB 0.000 . 3.670 3.111 2.452 3.862 0.192 20 0 "[ . 1 . 2]" 1
355 1 32 ILE H 1 32 ILE QG 0.000 . 4.140 2.280 1.859 2.580 . 0 0 "[ . 1 . 2]" 1
356 1 32 ILE H 1 32 ILE MD 0.000 . 3.830 3.720 2.650 4.239 0.409 18 0 "[ . 1 . 2]" 1
357 1 32 ILE MG 1 33 ASP H 0.000 . 3.960 2.177 1.830 4.144 0.184 17 0 "[ . 1 . 2]" 1
358 1 32 ILE HB 1 33 ASP H 0.000 . 4.320 3.196 1.886 3.957 . 0 0 "[ . 1 . 2]" 1
359 1 32 ILE QG 1 33 ASP H 0.000 . 4.520 4.099 3.848 4.353 . 0 0 "[ . 1 . 2]" 1
360 1 32 ILE HA 1 33 ASP H 0.000 . 3.630 2.622 2.179 3.528 . 0 0 "[ . 1 . 2]" 1
361 1 32 ILE MG 1 34 HIS HD2 0.000 . 4.290 4.197 2.973 4.717 0.427 4 0 "[ . 1 . 2]" 1
362 1 32 ILE MG 1 34 HIS HE1 0.000 . 4.060 3.708 2.882 4.405 0.345 4 0 "[ . 1 . 2]" 1
363 1 32 ILE MD 1 34 HIS HE1 0.000 . 4.950 2.197 1.778 3.677 . 0 0 "[ . 1 . 2]" 1
364 1 32 ILE HB 1 34 HIS HE1 0.000 . 4.430 3.009 2.182 4.198 . 0 0 "[ . 1 . 2]" 1
365 1 32 ILE MD 1 34 HIS HD2 0.000 . 4.690 4.694 3.438 4.931 0.241 9 0 "[ . 1 . 2]" 1
366 1 32 ILE QG 1 34 HIS HE1 0.000 . 4.470 3.665 2.865 4.228 . 0 0 "[ . 1 . 2]" 1
367 1 33 ASP HA 1 34 HIS H 0.000 . 2.740 3.329 2.506 3.572 0.832 12 14 "[** *.***** + *** -*2]" 1
368 1 33 ASP QB 1 34 HIS H 0.000 . 3.610 2.853 2.009 3.799 0.189 13 0 "[ . 1 . 2]" 1
369 1 33 ASP H 1 34 HIS H 0.000 . 4.340 2.698 1.996 4.540 0.200 11 0 "[ . 1 . 2]" 1
370 1 33 ASP QB 1 57 ASN HD21 0.000 . 4.590 3.703 1.931 5.545 0.955 11 1 "[ . 1+ . 2]" 1
371 1 34 HIS HA 1 34 HIS HD2 0.000 . 3.980 2.868 2.155 3.347 . 0 0 "[ . 1 . 2]" 1
372 1 34 HIS H 1 34 HIS HB2 0.000 . 3.750 3.058 2.304 3.385 . 0 0 "[ . 1 . 2]" 1
373 1 34 HIS H 1 34 HIS HB3 0.000 . 3.910 3.936 3.563 4.117 0.207 2 0 "[ . 1 . 2]" 1
374 1 34 HIS HA 1 35 THR H 0.000 . 3.120 2.273 2.128 2.775 . 0 0 "[ . 1 . 2]" 1
375 1 34 HIS HB3 1 35 THR H 0.000 . 4.220 3.550 1.937 4.376 0.156 4 0 "[ . 1 . 2]" 1
376 1 34 HIS HB2 1 36 PHE QE 0.000 . 4.040 3.869 2.773 4.259 0.219 10 0 "[ . 1 . 2]" 1
377 1 34 HIS HB3 1 36 PHE QE 0.000 . 4.450 3.389 2.354 4.078 . 0 0 "[ . 1 . 2]" 1
378 1 34 HIS HB2 1 36 PHE HZ 0.000 . 4.380 3.932 3.309 4.765 0.385 7 0 "[ . 1 . 2]" 1
379 1 34 HIS HB3 1 36 PHE HZ 0.000 . 4.490 3.167 2.439 4.321 . 0 0 "[ . 1 . 2]" 1
380 1 34 HIS H 1 36 PHE QE 0.000 . 4.730 6.192 5.105 7.104 2.374 7 19 [******+*****-******2] 1
381 1 34 HIS HD2 1 78 VAL QG 0.000 . 3.750 2.458 1.924 3.271 . 0 0 "[ . 1 . 2]" 1
382 1 34 HIS HD2 1 80 THR HA 0.000 . 4.030 2.733 1.941 3.994 . 0 0 "[ . 1 . 2]" 1
383 1 34 HIS HD2 1 80 THR MG 0.000 . 3.720 3.311 2.343 4.110 0.390 8 0 "[ . 1 . 2]" 1
384 1 34 HIS HB2 1 78 VAL QG 0.000 . 4.140 4.254 3.886 4.599 0.459 6 0 "[ . 1 . 2]" 1
385 1 34 HIS HA 1 78 VAL QG 0.000 . 4.880 3.891 3.069 4.465 . 0 0 "[ . 1 . 2]" 1
386 1 34 HIS HB3 1 78 VAL QG 0.000 . 3.940 2.906 2.460 3.347 . 0 0 "[ . 1 . 2]" 1
387 1 34 HIS HD2 1 80 THR H 0.000 . 4.790 4.318 3.528 5.013 0.223 1 0 "[ . 1 . 2]" 1
388 1 34 HIS H 1 57 ASN QB 0.000 . 4.660 5.405 4.347 6.888 2.228 7 7 "[- * + ** * . *2]" 1
389 1 35 THR H 1 35 THR HB 0.000 . 3.920 2.887 2.386 3.584 . 0 0 "[ . 1 . 2]" 1
390 1 35 THR H 1 35 THR MG 0.000 . 4.330 3.679 2.650 3.975 . 0 0 "[ . 1 . 2]" 1
391 1 35 THR MG 1 36 PHE H 0.000 . 3.770 2.420 1.872 3.609 . 0 0 "[ . 1 . 2]" 1
392 1 35 THR MG 1 89 TRP HZ2 0.000 . 3.870 3.335 2.342 4.133 0.263 5 0 "[ . 1 . 2]" 1
393 1 35 THR MG 1 56 GLN HA 0.000 . 4.280 2.711 1.938 3.327 . 0 0 "[ . 1 . 2]" 1
394 1 35 THR MG 1 56 GLN QG 0.000 . 3.930 3.064 1.881 4.321 0.391 19 0 "[ . 1 . 2]" 1
395 1 35 THR HB 1 89 TRP HH2 0.000 . 4.620 3.213 2.287 4.131 . 0 0 "[ . 1 . 2]" 1
396 1 35 THR H 1 78 VAL QG 0.000 . 4.270 4.047 3.149 4.641 0.371 4 0 "[ . 1 . 2]" 1
397 1 35 THR H 1 80 THR HA 0.000 . 4.130 4.169 2.692 4.574 0.444 18 0 "[ . 1 . 2]" 1
398 1 36 PHE HA 1 36 PHE QD 0.000 . 3.920 2.785 2.563 3.166 . 0 0 "[ . 1 . 2]" 1
399 1 36 PHE H 1 36 PHE QD 0.000 . 3.910 2.999 2.397 3.598 . 0 0 "[ . 1 . 2]" 1
400 1 36 PHE H 1 36 PHE QE 0.000 . 4.820 4.860 4.277 5.386 0.566 12 2 "[ . - 1 + . 2]" 1
401 1 36 PHE HA 1 37 GLU H 0.000 . 3.450 2.157 2.129 2.233 . 0 0 "[ . 1 . 2]" 1
402 1 36 PHE QB 1 37 GLU H 0.000 . 4.370 3.216 2.747 3.581 . 0 0 "[ . 1 . 2]" 1
403 1 36 PHE QB 1 38 ILE MD 0.000 . 3.990 2.387 1.948 3.110 . 0 0 "[ . 1 . 2]" 1
404 1 36 PHE QD 1 38 ILE MD 0.000 . 4.310 4.056 3.662 4.670 0.360 2 0 "[ . 1 . 2]" 1
405 1 36 PHE HA 1 89 TRP HZ3 0.000 . 4.230 3.351 2.350 4.031 . 0 0 "[ . 1 . 2]" 1
406 1 36 PHE QE 1 78 VAL QG 0.000 . 3.660 2.055 1.853 2.644 . 0 0 "[ . 1 . 2]" 1
407 1 36 PHE QD 1 76 VAL MG2 0.000 . 3.580 2.526 2.212 2.951 . 0 0 "[ . 1 . 2]" 1
408 1 36 PHE QB 1 76 VAL MG2 0.000 . 3.890 2.146 1.830 2.429 . 0 0 "[ . 1 . 2]" 1
409 1 36 PHE QD 1 57 ASN HA 0.000 . 4.510 3.782 3.087 4.674 0.164 19 0 "[ . 1 . 2]" 1
410 1 36 PHE QE 1 78 VAL HB 0.000 . 3.680 2.609 2.272 2.835 . 0 0 "[ . 1 . 2]" 1
411 1 36 PHE QE 1 76 VAL MG2 0.000 . 4.290 4.279 3.895 4.650 0.360 9 0 "[ . 1 . 2]" 1
412 1 36 PHE QD 1 78 VAL QG 0.000 . 3.910 3.019 2.713 3.390 . 0 0 "[ . 1 . 2]" 1
413 1 36 PHE QE 1 57 ASN HA 0.000 . 4.530 2.687 2.072 3.541 . 0 0 "[ . 1 . 2]" 1
414 1 36 PHE HZ 1 78 VAL QG 0.000 . 4.210 3.186 2.922 3.418 . 0 0 "[ . 1 . 2]" 1
415 1 36 PHE QB 1 55 LEU QB 0.000 . 3.920 2.524 1.795 4.341 0.421 9 0 "[ . 1 . 2]" 1
416 1 36 PHE HA 1 78 VAL QG 0.000 . 4.660 3.982 3.567 4.235 . 0 0 "[ . 1 . 2]" 1
417 1 36 PHE HA 1 79 ARG H 0.000 . 4.790 3.822 2.986 4.882 0.092 16 0 "[ . 1 . 2]" 1
418 1 36 PHE QD 1 76 VAL MG1 0.000 . 4.370 3.643 3.191 4.086 . 0 0 "[ . 1 . 2]" 1
419 1 36 PHE H 1 55 LEU H 0.000 . 4.430 3.663 3.100 4.178 . 0 0 "[ . 1 . 2]" 1
420 1 36 PHE QE 1 59 HIS HE1 0.000 . 4.810 5.829 5.529 6.072 1.262 10 20 [****-****+**********] 1
421 1 36 PHE QE 1 57 ASN H 0.000 . 4.500 3.876 2.957 4.975 0.475 12 0 "[ . 1 . 2]" 1
422 1 36 PHE HZ 1 59 HIS HE1 0.000 . 4.520 5.437 5.161 5.534 1.014 19 20 [*************-****+*] 1
423 1 36 PHE HZ 1 78 VAL HB 0.000 . 4.530 4.890 4.659 5.067 0.537 3 1 "[ + . 1 . 2]" 1
424 1 36 PHE QD 1 58 ALA H 0.000 . 2.600 2.294 1.918 2.743 0.143 2 0 "[ . 1 . 2]" 1
425 1 36 PHE H 1 56 GLN HA 0.000 . 4.210 3.353 2.615 4.515 0.305 2 0 "[ . 1 . 2]" 1
426 1 36 PHE QE 1 58 ALA H 0.000 . 3.640 2.804 2.285 2.915 . 0 0 "[ . 1 . 2]" 1
427 1 37 GLU HA 1 38 ILE H 0.000 . 3.030 2.187 2.142 2.285 . 0 0 "[ . 1 . 2]" 1
428 1 37 GLU HA 1 38 ILE MD 0.000 . 4.150 3.407 3.026 4.004 . 0 0 "[ . 1 . 2]" 1
429 1 37 GLU HA 1 38 ILE QG 0.000 . 4.750 4.510 3.620 5.081 0.331 4 0 "[ . 1 . 2]" 1
430 1 37 GLU HA 1 38 ILE HB 0.000 . 4.490 4.677 4.484 4.965 0.475 5 0 "[ . 1 . 2]" 1
431 1 37 GLU QB 1 38 ILE H 0.000 . 4.440 3.789 3.568 3.943 . 0 0 "[ . 1 . 2]" 1
432 1 37 GLU QG 1 39 GLN QE 0.000 . 4.150 5.242 4.181 6.875 2.725 17 15 "[** ******1*-* **+ *2]" 1
433 1 37 GLU HA 1 54 THR HA 0.000 . 3.730 2.878 2.494 3.447 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLU QB 1 89 TRP HH2 0.000 . 4.100 2.887 2.411 3.499 . 0 0 "[ . 1 . 2]" 1
435 1 37 GLU HA 1 54 THR MG 0.000 . 3.770 3.391 2.859 3.917 0.147 3 0 "[ . 1 . 2]" 1
436 1 37 GLU QG 1 52 THR MG 0.000 . 3.700 2.923 2.113 3.734 0.034 7 0 "[ . 1 . 2]" 1
437 1 37 GLU QB 1 77 ARG QG 0.000 . 4.040 2.585 1.777 3.575 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLU QG 1 77 ARG QG 0.000 . 3.970 4.336 3.361 5.018 1.048 6 9 "[* **+ 1 -*** *2]" 1
439 1 37 GLU QB 1 89 TRP HZ2 0.000 . 4.710 4.599 3.849 5.500 0.790 5 1 "[ + 1 . 2]" 1
440 1 37 GLU HA 1 55 LEU H 0.000 . 4.420 3.565 2.940 3.996 . 0 0 "[ . 1 . 2]" 1
441 1 37 GLU QG 1 54 THR HA 0.000 . 4.620 3.509 2.740 4.225 . 0 0 "[ . 1 . 2]" 1
442 1 37 GLU QG 1 89 TRP HZ2 0.000 . 4.580 3.971 2.517 4.726 0.146 11 0 "[ . 1 . 2]" 1
443 1 37 GLU HA 1 53 GLU H 0.000 . 4.630 5.027 4.685 5.148 0.518 7 1 "[ . + 1 . 2]" 1
444 1 37 GLU H 1 89 TRP HZ3 0.000 . 4.160 2.505 1.956 3.030 . 0 0 "[ . 1 . 2]" 1
445 1 37 GLU H 1 77 ARG QG 0.000 . 3.960 3.819 2.058 4.440 0.480 1 0 "[ . 1 . 2]" 1
446 1 38 ILE HB 1 38 ILE MD 0.000 . 3.430 2.379 2.043 3.223 . 0 0 "[ . 1 . 2]" 1
447 1 38 ILE H 1 38 ILE HB 0.000 . 3.580 2.513 2.357 2.833 . 0 0 "[ . 1 . 2]" 1
448 1 38 ILE H 1 38 ILE MD 0.000 . 4.090 2.222 1.861 2.852 . 0 0 "[ . 1 . 2]" 1
449 1 38 ILE MD 1 38 ILE MG 0.000 . 3.400 2.960 2.239 3.258 . 0 0 "[ . 1 . 2]" 1
450 1 38 ILE H 1 38 ILE MG 0.000 . 4.200 3.770 3.725 3.835 . 0 0 "[ . 1 . 2]" 1
451 1 38 ILE H 1 38 ILE QG 0.000 . 4.490 2.940 1.958 3.499 . 0 0 "[ . 1 . 2]" 1
452 1 38 ILE MG 1 39 GLN H 0.000 . 3.580 2.126 1.892 2.665 . 0 0 "[ . 1 . 2]" 1
453 1 38 ILE HA 1 39 GLN H 0.000 . 3.030 2.205 2.126 2.280 . 0 0 "[ . 1 . 2]" 1
454 1 38 ILE HB 1 39 GLN H 0.000 . 4.230 3.946 3.660 4.195 . 0 0 "[ . 1 . 2]" 1
455 1 38 ILE MG 1 40 TYR QD 0.000 . 3.600 2.457 1.866 3.179 . 0 0 "[ . 1 . 2]" 1
456 1 38 ILE HB 1 40 TYR QD 0.000 . 4.110 4.424 3.855 5.228 1.118 14 5 "[ . -* +. * *]" 1
457 1 38 ILE H 1 52 THR MG 0.000 . 4.420 4.055 3.675 4.559 0.139 6 0 "[ . 1 . 2]" 1
458 1 38 ILE H 1 52 THR HA 0.000 . 4.570 4.957 4.740 5.091 0.521 7 2 "[ . + 1 -. 2]" 1
459 1 38 ILE HA 1 76 VAL HA 0.000 . 4.440 2.626 2.242 2.944 . 0 0 "[ . 1 . 2]" 1
460 1 38 ILE MD 1 54 THR HA 0.000 . 4.450 3.787 3.380 4.665 0.215 16 0 "[ . 1 . 2]" 1
461 1 38 ILE MD 1 55 LEU HG 0.000 . 3.640 2.408 1.801 3.797 0.157 20 0 "[ . 1 . 2]" 1
462 1 38 ILE MD 1 55 LEU QB 0.000 . 3.370 2.301 1.767 3.580 0.210 6 0 "[ . 1 . 2]" 1
463 1 38 ILE QG 1 76 VAL MG2 0.000 . 3.660 2.390 1.727 3.935 0.275 5 0 "[ . 1 . 2]" 1
464 1 38 ILE MD 1 55 LEU QD 0.000 . 3.330 2.041 1.469 3.179 . 0 0 "[ . 1 . 2]" 1
465 1 38 ILE MG 1 61 MET ME 0.000 . 3.660 2.465 1.668 3.308 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE MD 1 61 MET ME 0.000 . 3.680 4.292 2.581 5.495 1.815 12 11 "[* **. ** 1*+*-. ** 2]" 1
467 1 38 ILE HA 1 76 VAL MG2 0.000 . 4.610 2.936 2.514 3.394 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE MG 1 76 VAL HA 0.000 . 4.640 4.219 3.469 4.812 0.172 6 0 "[ . 1 . 2]" 1
469 1 38 ILE HB 1 53 GLU HB2 0.000 . 3.810 2.239 1.904 2.927 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE HB 1 61 MET ME 0.000 . 3.560 3.624 2.109 4.722 1.162 12 8 "[ ***.- * 1*+ . * 2]" 1
471 1 38 ILE MD 1 53 GLU HB3 0.000 . 4.190 3.168 2.139 4.873 0.683 5 1 "[ + 1 . 2]" 1
472 1 38 ILE MD 1 76 VAL MG2 0.000 . 3.850 2.409 1.762 3.143 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE QG 1 55 LEU QD 0.000 . 3.170 2.749 1.833 3.520 0.350 10 0 "[ . 1 . 2]" 1
474 1 38 ILE H 1 54 THR HA 0.000 . 4.170 3.412 3.055 3.732 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE MD 1 76 VAL HA 0.000 . 4.640 4.167 2.941 4.974 0.334 9 0 "[ . 1 . 2]" 1
476 1 38 ILE MD 1 55 LEU H 0.000 . 4.500 2.760 2.156 3.593 . 0 0 "[ . 1 . 2]" 1
477 1 38 ILE QG 1 76 VAL HA 0.000 . 4.680 3.923 3.161 5.449 0.769 5 2 "[ + 1 .- 2]" 1
478 1 38 ILE MG 1 75 ARG H 0.000 . 4.400 3.675 3.230 4.200 . 0 0 "[ . 1 . 2]" 1
479 1 38 ILE HB 1 55 LEU QD 0.000 . 4.140 3.332 2.531 4.019 . 0 0 "[ . 1 . 2]" 1
480 1 38 ILE HB 1 53 GLU H 0.000 . 4.490 2.932 2.498 3.283 . 0 0 "[ . 1 . 2]" 1
481 1 39 GLN HA 1 39 GLN QE 0.000 . 4.730 4.111 3.606 4.610 . 0 0 "[ . 1 . 2]" 1
482 1 39 GLN HA 1 40 TYR H 0.000 . 3.290 2.176 2.132 2.220 . 0 0 "[ . 1 . 2]" 1
483 1 39 GLN HA 1 40 TYR QD 0.000 . 4.300 3.186 2.659 3.895 . 0 0 "[ . 1 . 2]" 1
484 1 39 GLN QG 1 40 TYR H 0.000 . 4.510 3.209 2.478 4.231 . 0 0 "[ . 1 . 2]" 1
485 1 39 GLN QB 1 40 TYR H 0.000 . 4.470 3.750 3.250 3.976 . 0 0 "[ . 1 . 2]" 1
486 1 39 GLN QB 1 47 TRP HZ3 0.000 . 4.290 3.253 2.712 4.194 . 0 0 "[ . 1 . 2]" 1
487 1 39 GLN QB 1 47 TRP HE3 0.000 . 4.370 3.788 3.300 4.196 . 0 0 "[ . 1 . 2]" 1
488 1 39 GLN HA 1 52 THR HA 0.000 . 3.820 2.659 1.916 3.032 . 0 0 "[ . 1 . 2]" 1
489 1 39 GLN HA 1 52 THR MG 0.000 . 4.440 4.192 3.247 4.618 0.178 1 0 "[ . 1 . 2]" 1
490 1 39 GLN QG 1 52 THR HA 0.000 . 4.450 3.611 2.830 4.561 0.111 2 0 "[ . 1 . 2]" 1
491 1 39 GLN QG 1 52 THR HB 0.000 . 3.810 5.438 4.800 6.613 2.803 2 20 [*+***************-**] 1
492 1 39 GLN QB 1 50 SER QB 0.000 . 4.450 4.096 3.089 4.510 0.060 6 0 "[ . 1 . 2]" 1
493 1 39 GLN QG 1 47 TRP HE3 0.000 . 3.670 2.345 2.034 2.501 . 0 0 "[ . 1 . 2]" 1
494 1 39 GLN QE 1 52 THR MG 0.000 . 3.450 3.392 1.908 4.986 1.536 15 3 "[ . 1- + * 2]" 1
495 1 39 GLN QB 1 75 ARG HE 0.000 . 4.180 3.361 2.033 5.336 1.156 2 2 "[ + . - . 2]" 1
496 1 39 GLN HA 1 53 GLU H 0.000 . 4.680 3.382 2.923 3.862 . 0 0 "[ . 1 . 2]" 1
497 1 39 GLN QE 1 51 LYS H 0.000 . 4.640 6.840 5.649 8.029 3.389 11 20 [********-*+*********] 1
498 1 39 GLN H 1 92 TRP HH2 0.000 . 4.770 4.027 3.505 4.793 0.023 13 0 "[ . 1 . 2]" 1
499 1 39 GLN H 1 75 ARG H 0.000 . 3.960 2.778 2.651 2.885 . 0 0 "[ . 1 . 2]" 1
500 1 39 GLN QG 1 47 TRP HZ3 0.000 . 4.790 2.611 1.917 3.185 . 0 0 "[ . 1 . 2]" 1
501 1 39 GLN H 1 75 ARG QG 0.000 . 4.680 3.497 3.104 4.952 0.272 16 0 "[ . 1 . 2]" 1
502 1 39 GLN H 1 76 VAL HA 0.000 . 4.180 3.759 3.552 4.070 . 0 0 "[ . 1 . 2]" 1
503 1 39 GLN H 1 92 TRP HZ3 0.000 . 4.390 3.577 3.140 3.861 . 0 0 "[ . 1 . 2]" 1
504 1 40 TYR HA 1 40 TYR QD 0.000 . 3.790 3.621 3.441 3.740 . 0 0 "[ . 1 . 2]" 1
505 1 40 TYR HB3 1 40 TYR QD 0.000 . 3.470 2.543 2.383 2.638 . 0 0 "[ . 1 . 2]" 1
506 1 40 TYR HB2 1 40 TYR QD 0.000 . 3.440 2.307 2.269 2.406 . 0 0 "[ . 1 . 2]" 1
507 1 40 TYR H 1 40 TYR QD 0.000 . 3.850 2.274 1.995 2.657 . 0 0 "[ . 1 . 2]" 1
508 1 40 TYR HA 1 41 ARG H 0.000 . 3.670 2.123 2.071 2.164 . 0 0 "[ . 1 . 2]" 1
509 1 40 TYR HB3 1 41 ARG H 0.000 . 4.270 4.214 3.995 4.395 0.125 14 0 "[ . 1 . 2]" 1
510 1 40 TYR HB2 1 41 ARG H 0.000 . 4.340 3.588 3.370 3.813 . 0 0 "[ . 1 . 2]" 1
511 1 40 TYR QD 1 41 ARG H 0.000 . 4.310 4.751 4.326 4.932 0.622 19 7 "[ * * 1** - *+2]" 1
512 1 40 TYR HA 1 47 TRP HZ3 0.000 . 3.840 3.171 2.698 3.720 . 0 0 "[ . 1 . 2]" 1
513 1 40 TYR H 1 47 TRP HZ3 0.000 . 4.920 4.473 3.712 5.047 0.127 2 0 "[ . 1 . 2]" 1
514 1 40 TYR HA 1 47 TRP HH2 0.000 . 4.320 4.408 3.801 4.751 0.431 5 0 "[ . 1 . 2]" 1
515 1 40 TYR QD 1 51 LYS QD 0.000 . 5.000 5.360 5.111 5.614 0.614 4 3 "[ -+. 1 *. 2]" 1
516 1 40 TYR QD 1 51 LYS HB3 0.000 . 4.500 4.300 4.031 4.575 0.075 11 0 "[ . 1 . 2]" 1
517 1 40 TYR QE 1 51 LYS QD 0.000 . 4.190 3.637 3.167 4.419 0.229 11 0 "[ . 1 . 2]" 1
518 1 40 TYR QE 1 51 LYS HB3 0.000 . 3.840 2.712 2.051 3.160 . 0 0 "[ . 1 . 2]" 1
519 1 40 TYR H 1 52 THR HA 0.000 . 4.600 4.272 3.632 4.660 0.060 1 0 "[ . 1 . 2]" 1
520 1 40 TYR QD 1 72 TYR QD 0.000 . 3.950 2.722 2.126 3.508 . 0 0 "[ . 1 . 2]" 1
521 1 40 TYR QD 1 74 ALA MB 0.000 . 4.170 3.641 3.144 4.169 . 0 0 "[ . 1 . 2]" 1
522 1 40 TYR QD 1 63 LEU QD 0.000 . 3.870 2.665 2.356 3.001 . 0 0 "[ . 1 . 2]" 1
523 1 40 TYR QE 1 63 LEU QD 0.000 . 3.620 3.169 2.729 3.674 0.054 3 0 "[ . 1 . 2]" 1
524 1 40 TYR HB3 1 63 LEU QD 0.000 . 3.730 2.522 2.012 2.965 . 0 0 "[ . 1 . 2]" 1
525 1 40 TYR HA 1 74 ALA MB 0.000 . 4.100 2.310 1.963 2.742 . 0 0 "[ . 1 . 2]" 1
526 1 40 TYR QD 1 66 LEU QD 0.000 . 4.200 2.281 1.914 2.710 . 0 0 "[ . 1 . 2]" 1
527 1 40 TYR HB2 1 74 ALA MB 0.000 . 3.960 2.863 2.300 3.174 . 0 0 "[ . 1 . 2]" 1
528 1 40 TYR HB2 1 72 TYR QE 0.000 . 4.460 3.429 2.511 3.971 . 0 0 "[ . 1 . 2]" 1
529 1 40 TYR HA 1 74 ALA HA 0.000 . 3.210 1.922 1.842 2.112 . 0 0 "[ . 1 . 2]" 1
530 1 40 TYR QE 1 53 GLU QG 0.000 . 3.780 3.003 1.925 4.024 0.244 10 0 "[ . 1 . 2]" 1
531 1 40 TYR HB3 1 74 ALA MB 0.000 . 3.990 2.128 1.858 2.567 . 0 0 "[ . 1 . 2]" 1
532 1 40 TYR HB3 1 98 TRP HZ2 0.000 . 4.150 4.481 3.923 4.788 0.638 1 6 "[+ *. 1 -*** 2]" 1
533 1 40 TYR HB2 1 98 TRP HZ2 0.000 . 4.230 3.921 3.585 4.232 0.002 11 0 "[ . 1 . 2]" 1
534 1 40 TYR QD 1 53 GLU QG 0.000 . 4.530 4.620 3.864 5.105 0.575 3 4 "[ + .* 1 *. -]" 1
535 1 40 TYR QD 1 65 ALA MB 0.000 . 4.480 5.185 4.405 6.381 1.901 4 11 "[ * +. ** ** -*** *2]" 1
536 1 40 TYR HA 1 75 ARG H 0.000 . 4.470 3.607 3.443 3.933 . 0 0 "[ . 1 . 2]" 1
537 1 40 TYR HB3 1 74 ALA HA 0.000 . 4.410 3.622 3.146 4.125 . 0 0 "[ . 1 . 2]" 1
538 1 40 TYR HA 1 47 TRP HE3 0.000 . 4.980 4.885 4.572 5.272 0.292 5 0 "[ . 1 . 2]" 1
539 1 40 TYR H 1 51 LYS H 0.000 . 4.110 3.304 2.810 3.793 . 0 0 "[ . 1 . 2]" 1
540 1 40 TYR H 1 50 SER QB 0.000 . 4.040 2.864 2.220 3.437 . 0 0 "[ . 1 . 2]" 1
541 1 40 TYR HB3 1 75 ARG H 0.000 . 4.770 4.512 4.276 4.937 0.167 18 0 "[ . 1 . 2]" 1
542 1 41 ARG H 1 41 ARG QG 0.000 . 3.710 2.780 2.211 4.124 0.414 5 0 "[ . 1 . 2]" 1
543 1 41 ARG HA 1 42 LYS H 0.000 . 3.440 2.787 2.476 2.947 . 0 0 "[ . 1 . 2]" 1
544 1 41 ARG HB2 1 42 LYS H 0.000 . 3.750 2.393 1.933 3.759 0.009 5 0 "[ . 1 . 2]" 1
545 1 41 ARG HA 1 45 ALA MB 0.000 . 4.490 4.009 3.229 4.468 . 0 0 "[ . 1 . 2]" 1
546 1 41 ARG HB3 1 47 TRP HZ3 0.000 . 4.290 3.427 2.717 4.045 . 0 0 "[ . 1 . 2]" 1
547 1 41 ARG QG 1 47 TRP HE3 0.000 . 4.670 3.458 3.013 4.743 0.073 10 0 "[ . 1 . 2]" 1
548 1 41 ARG QG 1 47 TRP HZ3 0.000 . 3.970 3.647 2.970 5.334 1.364 10 5 "[ * * +- . * 2]" 1
549 1 41 ARG QG 1 47 TRP HZ2 0.000 . 4.800 3.752 3.193 5.050 0.250 18 0 "[ . 1 . 2]" 1
550 1 41 ARG QG 1 47 TRP HA 0.000 . 3.150 3.314 2.633 3.384 0.234 8 0 "[ . 1 . 2]" 1
551 1 41 ARG QG 1 73 TRP HB2 0.000 . 4.480 2.133 1.861 3.624 . 0 0 "[ . 1 . 2]" 1
552 1 41 ARG H 1 73 TRP H 0.000 . 4.170 3.413 3.099 3.757 . 0 0 "[ . 1 . 2]" 1
553 1 41 ARG H 1 47 TRP HZ3 0.000 . 4.420 2.919 2.562 3.352 . 0 0 "[ . 1 . 2]" 1
554 1 42 LYS QB 1 42 LYS QE 0.000 . 3.440 2.950 2.037 3.614 0.174 9 0 "[ . 1 . 2]" 1
555 1 42 LYS HA 1 42 LYS QG 0.000 . 3.980 2.636 2.476 2.868 . 0 0 "[ . 1 . 2]" 1
556 1 42 LYS QB 1 42 LYS QD 0.000 . 3.440 2.125 1.896 2.272 . 0 0 "[ . 1 . 2]" 1
557 1 42 LYS H 1 42 LYS QD 0.000 . 4.510 3.787 2.351 4.694 0.184 2 0 "[ . 1 . 2]" 1
558 1 42 LYS QB 1 43 ASP QB 0.000 . 4.060 3.962 3.840 4.093 0.033 12 0 "[ . 1 . 2]" 1
559 1 42 LYS HA 1 43 ASP H 0.000 . 3.250 2.309 2.214 2.433 . 0 0 "[ . 1 . 2]" 1
560 1 42 LYS QB 1 43 ASP H 0.000 . 3.780 2.585 2.420 2.827 . 0 0 "[ . 1 . 2]" 1
561 1 42 LYS QG 1 43 ASP H 0.000 . 4.260 4.185 4.099 4.380 0.120 5 0 "[ . 1 . 2]" 1
562 1 42 LYS QB 1 44 THR H 0.000 . 3.370 2.337 2.097 2.486 . 0 0 "[ . 1 . 2]" 1
563 1 42 LYS H 1 45 ALA MB 0.000 . 3.640 2.808 1.913 3.401 . 0 0 "[ . 1 . 2]" 1
564 1 42 LYS QB 1 45 ALA H 0.000 . 4.270 2.060 1.890 2.478 . 0 0 "[ . 1 . 2]" 1
565 1 42 LYS QG 1 45 ALA H 0.000 . 4.290 3.987 3.709 4.301 0.011 12 0 "[ . 1 . 2]" 1
566 1 42 LYS QD 1 45 ALA H 0.000 . 4.460 3.730 3.079 4.850 0.390 18 0 "[ . 1 . 2]" 1
567 1 42 LYS H 1 45 ALA H 0.000 . 4.540 3.535 3.123 3.876 . 0 0 "[ . 1 . 2]" 1
568 1 42 LYS QE 1 68 PRO QG 0.000 . 4.300 8.706 7.241 9.676 5.376 10 20 [******-**+**********] 1
569 1 42 LYS QE 1 68 PRO QD 0.000 . 4.650 7.129 5.520 8.047 3.397 10 20 [******-**+**********] 1
570 1 42 LYS QG 1 72 TYR QE 0.000 . 4.130 2.738 2.463 3.357 . 0 0 "[ . 1 . 2]" 1
571 1 42 LYS QB 1 72 TYR QE 0.000 . 3.710 3.728 3.034 3.858 0.148 8 0 "[ . 1 . 2]" 1
572 1 42 LYS QE 1 72 TYR QE 0.000 . 3.950 3.592 2.101 4.681 0.731 4 4 "[ *+. 1- . * 2]" 1
573 1 42 LYS HA 1 72 TYR QE 0.000 . 4.820 4.799 4.573 5.095 0.275 18 0 "[ . 1 . 2]" 1
574 1 42 LYS HA 1 72 TYR QD 0.000 . 4.650 3.913 3.612 4.135 . 0 0 "[ . 1 . 2]" 1
575 1 42 LYS QG 1 73 TRP H 0.000 . 4.580 4.077 3.967 4.269 . 0 0 "[ . 1 . 2]" 1
576 1 42 LYS HA 1 73 TRP H 0.000 . 3.700 2.488 2.242 2.710 . 0 0 "[ . 1 . 2]" 1
577 1 42 LYS QD 1 70 THR MG 0.000 . 3.730 2.867 1.804 4.113 0.383 8 0 "[ . 1 . 2]" 1
578 1 42 LYS QG 1 68 PRO QG 0.000 . 3.600 8.656 8.196 9.739 6.139 18 20 [*************-***+**] 1
579 1 42 LYS QG 1 70 THR MG 0.000 . 3.640 3.099 2.437 3.605 . 0 0 "[ . 1 . 2]" 1
580 1 42 LYS QB 1 70 THR MG 0.000 . 3.810 2.062 1.747 2.541 . 0 0 "[ . 1 . 2]" 1
581 1 42 LYS HA 1 71 ARG QB 0.000 . 3.930 4.084 3.784 4.301 0.371 17 0 "[ . 1 . 2]" 1
582 1 42 LYS HA 1 73 TRP HD1 0.000 . 4.600 2.856 2.579 2.999 . 0 0 "[ . 1 . 2]" 1
583 1 43 ASP H 1 43 ASP QB 0.000 . 3.020 2.199 2.146 2.240 . 0 0 "[ . 1 . 2]" 1
584 1 43 ASP QB 1 44 THR H 0.000 . 3.930 3.158 2.999 3.472 . 0 0 "[ . 1 . 2]" 1
585 1 43 ASP H 1 44 THR H 0.000 . 4.130 2.656 2.528 2.837 . 0 0 "[ . 1 . 2]" 1
586 1 43 ASP H 1 70 THR MG 0.000 . 4.380 3.126 2.703 3.531 . 0 0 "[ . 1 . 2]" 1
587 1 43 ASP QB 1 70 THR MG 0.000 . 4.660 3.393 2.943 3.752 . 0 0 "[ . 1 . 2]" 1
588 1 43 ASP QB 1 71 ARG HG2 0.000 . 4.130 3.833 3.605 4.088 . 0 0 "[ . 1 . 2]" 1
589 1 43 ASP QB 1 71 ARG HG3 0.000 . 4.180 3.862 3.658 4.087 . 0 0 "[ . 1 . 2]" 1
590 1 43 ASP QB 1 71 ARG QB 0.000 . 3.810 1.714 1.645 1.847 . 0 0 "[ . 1 . 2]" 1
591 1 43 ASP QB 1 71 ARG QD 0.000 . 4.070 2.656 2.020 3.367 . 0 0 "[ . 1 . 2]" 1
592 1 43 ASP H 1 71 ARG QB 0.000 . 3.910 2.609 2.324 2.930 . 0 0 "[ . 1 . 2]" 1
593 1 43 ASP H 1 73 TRP HD1 0.000 . 4.190 2.790 2.492 3.128 . 0 0 "[ . 1 . 2]" 1
594 1 43 ASP QB 1 73 TRP HD1 0.000 . 3.160 3.168 3.067 3.289 0.129 9 0 "[ . 1 . 2]" 1
595 1 43 ASP QB 1 73 TRP HE1 0.000 . 3.770 1.917 1.872 1.954 . 0 0 "[ . 1 . 2]" 1
596 1 43 ASP QB 1 71 ARG H 0.000 . 4.400 2.721 2.360 3.386 . 0 0 "[ . 1 . 2]" 1
597 1 43 ASP H 1 71 ARG HA 0.000 . 4.500 4.442 4.277 4.623 0.123 19 0 "[ . 1 . 2]" 1
598 1 44 THR H 1 44 THR MG 0.000 . 4.570 2.642 1.932 3.880 . 0 0 "[ . 1 . 2]" 1
599 1 44 THR H 1 45 ALA MB 0.000 . 4.420 3.954 3.709 4.159 . 0 0 "[ . 1 . 2]" 1
600 1 44 THR MG 1 45 ALA H 0.000 . 4.570 2.989 1.964 4.087 . 0 0 "[ . 1 . 2]" 1
601 1 44 THR H 1 45 ALA H 0.000 . 3.250 2.166 1.964 2.345 . 0 0 "[ . 1 . 2]" 1
602 1 44 THR H 1 71 ARG H 0.000 . 4.790 4.522 4.061 4.896 0.106 8 0 "[ . 1 . 2]" 1
603 1 44 THR MG 1 70 THR MG 0.000 . 4.310 2.608 1.899 4.056 . 0 0 "[ . 1 . 2]" 1
604 1 44 THR H 1 71 ARG QB 0.000 . 3.960 4.468 4.167 4.849 0.889 17 9 "[*** . * 1 **+* -]" 1
605 1 45 ALA H 1 45 ALA MB 0.000 . 2.750 2.246 2.069 2.403 . 0 0 "[ . 1 . 2]" 1
606 1 45 ALA MB 1 46 THR H 0.000 . 3.220 2.183 1.939 2.692 . 0 0 "[ . 1 . 2]" 1
607 1 45 ALA HA 1 46 THR H 0.000 . 3.000 2.612 2.326 2.864 . 0 0 "[ . 1 . 2]" 1
608 1 45 ALA MB 1 49 ASP QB 0.000 . 4.070 2.427 2.065 2.840 . 0 0 "[ . 1 . 2]" 1
609 1 46 THR HA 1 46 THR MG 0.000 . 2.850 2.208 1.994 2.598 . 0 0 "[ . 1 . 2]" 1
610 1 46 THR HA 1 46 THR HB 0.000 . 3.060 2.688 2.344 2.933 . 0 0 "[ . 1 . 2]" 1
611 1 46 THR H 1 46 THR MG 0.000 . 3.410 3.325 2.448 3.763 0.353 8 0 "[ . 1 . 2]" 1
612 1 46 THR HB 1 47 TRP H 0.000 . 3.910 2.975 2.180 4.342 0.432 4 0 "[ . 1 . 2]" 1
613 1 46 THR HA 1 47 TRP H 0.000 . 3.830 2.526 2.303 3.561 . 0 0 "[ . 1 . 2]" 1
614 1 46 THR MG 1 47 TRP H 0.000 . 4.390 3.574 2.365 4.392 0.002 4 0 "[ . 1 . 2]" 1
615 1 46 THR HA 1 47 TRP HB2 0.000 . 4.610 4.644 4.213 4.969 0.359 10 0 "[ . 1 . 2]" 1
616 1 46 THR H 1 49 ASP QB 0.000 . 4.370 3.252 2.329 4.923 0.553 6 1 "[ .+ 1 . 2]" 1
617 1 46 THR HB 1 48 LYS QG 0.000 . 3.500 3.655 2.223 5.250 1.750 10 7 "[ . * *+* *- *2]" 1
618 1 46 THR HB 1 49 ASP H 0.000 . 4.870 4.357 3.195 5.997 1.127 5 5 "[ **+* - 1 . 2]" 1
619 1 47 TRP HA 1 47 TRP HE3 0.000 . 3.550 2.603 2.196 3.068 . 0 0 "[ . 1 . 2]" 1
620 1 47 TRP HB2 1 47 TRP HD1 0.000 . 3.650 2.570 2.541 2.631 . 0 0 "[ . 1 . 2]" 1
621 1 47 TRP HB3 1 47 TRP HE3 0.000 . 4.140 2.822 2.635 3.085 . 0 0 "[ . 1 . 2]" 1
622 1 47 TRP HA 1 47 TRP HZ3 0.000 . 4.500 4.737 4.403 5.145 0.645 2 2 "[ + . 1 - 2]" 1
623 1 47 TRP H 1 47 TRP HD1 0.000 . 4.640 3.326 2.572 5.157 0.517 11 1 "[ . 1+ . 2]" 1
624 1 47 TRP HA 1 50 SER QB 0.000 . 4.050 2.413 1.939 3.298 . 0 0 "[ . 1 . 2]" 1
625 1 47 TRP HE3 1 50 SER QB 0.000 . 4.310 2.844 2.404 3.374 . 0 0 "[ . 1 . 2]" 1
626 1 47 TRP HH2 1 73 TRP HB2 0.000 . 3.990 3.767 3.373 4.289 0.299 8 0 "[ . 1 . 2]" 1
627 1 47 TRP HH2 1 73 TRP HB3 0.000 . 4.390 3.114 2.348 3.603 . 0 0 "[ . 1 . 2]" 1
628 1 47 TRP HZ2 1 73 TRP HB2 0.000 . 4.160 3.664 3.161 4.152 . 0 0 "[ . 1 . 2]" 1
629 1 47 TRP HZ2 1 73 TRP HB3 0.000 . 4.230 2.937 2.206 3.513 . 0 0 "[ . 1 . 2]" 1
630 1 47 TRP HZ2 1 74 ALA H 0.000 . 5.000 5.596 4.960 6.085 1.085 11 14 "[ ******* *+ .-****]" 1
631 1 47 TRP HH2 1 74 ALA H 0.000 . 4.410 3.886 3.399 4.369 . 0 0 "[ . 1 . 2]" 1
632 1 47 TRP HZ3 1 74 ALA H 0.000 . 4.580 5.069 4.577 5.458 0.878 5 10 "[ **+*** 1* * . *- 2]" 1
633 1 47 TRP HH2 1 74 ALA HA 0.000 . 3.930 2.936 2.446 3.458 . 0 0 "[ . 1 . 2]" 1
634 1 47 TRP HZ3 1 74 ALA HA 0.000 . 4.050 2.624 2.286 3.090 . 0 0 "[ . 1 . 2]" 1
635 1 47 TRP HH2 1 75 ARG H 0.000 . 4.440 4.026 3.494 4.397 . 0 0 "[ . 1 . 2]" 1
636 1 47 TRP HZ3 1 75 ARG H 0.000 . 4.600 3.571 2.926 4.002 . 0 0 "[ . 1 . 2]" 1
637 1 47 TRP HZ2 1 75 ARG QB 0.000 . 4.890 4.683 4.013 5.253 0.363 15 0 "[ . 1 . 2]" 1
638 1 47 TRP HZ3 1 75 ARG QG 0.000 . 4.350 2.330 1.932 3.086 . 0 0 "[ . 1 . 2]" 1
639 1 47 TRP HZ2 1 95 ALA MB 0.000 . 3.050 2.625 1.912 3.104 0.054 4 0 "[ . 1 . 2]" 1
640 1 47 TRP HH2 1 95 ALA MB 0.000 . 3.800 3.046 2.552 3.717 . 0 0 "[ . 1 . 2]" 1
641 1 47 TRP HE3 1 75 ARG HE 0.000 . 4.150 3.211 2.626 4.071 . 0 0 "[ . 1 . 2]" 1
642 1 47 TRP HZ3 1 73 TRP HB2 0.000 . 4.790 4.864 4.488 5.247 0.457 5 0 "[ . 1 . 2]" 1
643 1 47 TRP HZ3 1 73 TRP HB3 0.000 . 4.840 4.997 4.314 5.300 0.460 5 0 "[ . 1 . 2]" 1
644 1 48 LYS HA 1 48 LYS QG 0.000 . 3.480 2.529 2.105 3.377 . 0 0 "[ . 1 . 2]" 1
645 1 48 LYS QE 1 48 LYS QG 0.000 . 3.490 2.170 1.951 2.474 . 0 0 "[ . 1 . 2]" 1
646 1 48 LYS HA 1 48 LYS QD 0.000 . 3.550 3.247 2.038 3.901 0.351 12 0 "[ . 1 . 2]" 1
647 1 48 LYS HA 1 49 ASP H 0.000 . 4.190 3.503 3.411 3.552 . 0 0 "[ . 1 . 2]" 1
648 1 48 LYS QB 1 49 ASP H 0.000 . 4.270 2.747 2.254 3.556 . 0 0 "[ . 1 . 2]" 1
649 1 48 LYS QG 1 49 ASP H 0.000 . 4.270 4.104 2.129 4.569 0.299 10 0 "[ . 1 . 2]" 1
650 1 48 LYS QD 1 49 ASP H 0.000 . 4.540 4.532 3.000 4.983 0.443 8 0 "[ . 1 . 2]" 1
651 1 48 LYS HA 1 50 SER H 0.000 . 4.300 4.102 3.596 4.437 0.137 14 0 "[ . 1 . 2]" 1
652 1 49 ASP H 1 49 ASP QB 0.000 . 3.850 2.316 2.148 2.689 . 0 0 "[ . 1 . 2]" 1
653 1 49 ASP HA 1 50 SER H 0.000 . 3.640 3.403 3.004 3.494 . 0 0 "[ . 1 . 2]" 1
654 1 49 ASP QB 1 50 SER H 0.000 . 4.400 3.061 2.789 3.712 . 0 0 "[ . 1 . 2]" 1
655 1 50 SER H 1 50 SER QB 0.000 . 3.390 2.357 2.133 2.969 . 0 0 "[ . 1 . 2]" 1
656 1 50 SER HA 1 51 LYS HB2 0.000 . 3.780 4.171 4.111 4.286 0.506 1 1 "[+ . 1 . 2]" 1
657 1 50 SER QB 1 51 LYS H 0.000 . 3.300 2.912 2.325 3.450 0.150 3 0 "[ . 1 . 2]" 1
658 1 50 SER H 1 51 LYS H 0.000 . 4.350 4.584 4.410 4.648 0.298 20 0 "[ . 1 . 2]" 1
659 1 50 SER HA 1 51 LYS H 0.000 . 2.910 2.249 2.125 2.561 . 0 0 "[ . 1 . 2]" 1
660 1 51 LYS HA 1 51 LYS QD 0.000 . 3.560 3.343 2.193 3.782 0.222 18 0 "[ . 1 . 2]" 1
661 1 51 LYS H 1 51 LYS HB2 0.000 . 3.250 2.160 2.063 2.365 . 0 0 "[ . 1 . 2]" 1
662 1 51 LYS HA 1 51 LYS QG 0.000 . 3.460 2.041 1.996 2.399 . 0 0 "[ . 1 . 2]" 1
663 1 51 LYS H 1 51 LYS HB3 0.000 . 3.200 3.316 3.186 3.509 0.309 1 0 "[ . 1 . 2]" 1
664 1 51 LYS HA 1 52 THR H 0.000 . 2.250 2.170 2.132 2.230 . 0 0 "[ . 1 . 2]" 1
665 1 51 LYS HB3 1 52 THR H 0.000 . 3.290 3.551 3.184 4.115 0.825 7 4 "[ ** . + 1 . -2]" 1
666 1 51 LYS QD 1 52 THR H 0.000 . 3.850 3.823 3.130 4.175 0.325 11 0 "[ . 1 . 2]" 1
667 1 51 LYS HA 1 52 THR HB 0.000 . 4.350 4.591 4.479 4.776 0.426 9 0 "[ . 1 . 2]" 1
668 1 52 THR HA 1 52 THR MG 0.000 . 3.370 2.430 2.296 2.530 . 0 0 "[ . 1 . 2]" 1
669 1 52 THR H 1 52 THR HB 0.000 . 3.330 2.504 2.415 2.704 . 0 0 "[ . 1 . 2]" 1
670 1 52 THR H 1 52 THR MG 0.000 . 3.910 3.780 3.733 3.813 . 0 0 "[ . 1 . 2]" 1
671 1 52 THR MG 1 53 GLU H 0.000 . 3.660 3.117 2.841 3.469 . 0 0 "[ . 1 . 2]" 1
672 1 52 THR HA 1 53 GLU H 0.000 . 3.200 2.160 2.127 2.229 . 0 0 "[ . 1 . 2]" 1
673 1 52 THR HB 1 53 GLU H 0.000 . 4.510 4.370 4.172 4.486 . 0 0 "[ . 1 . 2]" 1
674 1 52 THR HA 1 53 GLU HB2 0.000 . 4.440 4.327 4.144 4.684 0.244 5 0 "[ . 1 . 2]" 1
675 1 53 GLU HA 1 53 GLU QG 0.000 . 3.860 2.358 2.077 2.584 . 0 0 "[ . 1 . 2]" 1
676 1 53 GLU H 1 53 GLU QG 0.000 . 4.170 3.538 2.701 4.129 . 0 0 "[ . 1 . 2]" 1
677 1 53 GLU H 1 53 GLU HB3 0.000 . 4.090 3.355 2.997 3.724 . 0 0 "[ . 1 . 2]" 1
678 1 53 GLU H 1 53 GLU HB2 0.000 . 4.270 2.311 2.154 2.550 . 0 0 "[ . 1 . 2]" 1
679 1 53 GLU QG 1 54 THR H 0.000 . 4.050 3.711 2.972 4.129 0.079 5 0 "[ . 1 . 2]" 1
680 1 53 GLU HB3 1 54 THR H 0.000 . 3.950 3.259 2.693 3.685 . 0 0 "[ . 1 . 2]" 1
681 1 53 GLU HA 1 54 THR H 0.000 . 2.270 2.199 2.125 2.271 0.001 19 0 "[ . 1 . 2]" 1
682 1 54 THR HA 1 54 THR MG 0.000 . 3.070 2.151 1.999 2.282 . 0 0 "[ . 1 . 2]" 1
683 1 54 THR H 1 54 THR HB 0.000 . 3.120 3.422 2.905 3.507 0.387 15 0 "[ . 1 . 2]" 1
684 1 54 THR HA 1 55 LEU QD 0.000 . 4.380 3.751 2.354 4.286 . 0 0 "[ . 1 . 2]" 1
685 1 54 THR HA 1 55 LEU H 0.000 . 3.050 2.209 2.123 2.320 . 0 0 "[ . 1 . 2]" 1
686 1 54 THR MG 1 55 LEU H 0.000 . 3.570 3.754 2.311 4.120 0.550 11 2 "[ . -+ . 2]" 1
687 1 54 THR HB 1 55 LEU H 0.000 . 4.670 3.920 3.270 4.165 . 0 0 "[ . 1 . 2]" 1
688 1 55 LEU H 1 55 LEU QD 0.000 . 4.200 2.563 1.807 3.476 . 0 0 "[ . 1 . 2]" 1
689 1 55 LEU H 1 55 LEU QB 0.000 . 3.660 2.424 2.133 3.258 . 0 0 "[ . 1 . 2]" 1
690 1 55 LEU HA 1 56 GLN H 0.000 . 2.990 2.185 2.127 2.274 . 0 0 "[ . 1 . 2]" 1
691 1 55 LEU QB 1 56 GLN H 0.000 . 3.760 3.358 2.742 3.801 0.041 1 0 "[ . 1 . 2]" 1
692 1 55 LEU QD 1 56 GLN H 0.000 . 3.840 3.462 2.716 3.988 0.148 8 0 "[ . 1 . 2]" 1
693 1 55 LEU H 1 56 GLN H 0.000 . 4.460 4.329 4.019 4.573 0.113 20 0 "[ . 1 . 2]" 1
694 1 55 LEU QD 1 58 ALA MB 0.000 . 3.090 1.772 1.619 2.618 . 0 0 "[ . 1 . 2]" 1
695 1 55 LEU QB 1 58 ALA MB 0.000 . 3.320 2.095 1.750 3.224 . 0 0 "[ . 1 . 2]" 1
696 1 55 LEU QB 1 58 ALA H 0.000 . 4.500 3.247 2.520 3.801 . 0 0 "[ . 1 . 2]" 1
697 1 55 LEU QD 1 58 ALA H 0.000 . 4.400 3.652 2.627 4.160 . 0 0 "[ . 1 . 2]" 1
698 1 55 LEU QD 1 61 MET HB2 0.000 . 3.900 2.431 2.010 2.935 . 0 0 "[ . 1 . 2]" 1
699 1 55 LEU QD 1 61 MET HG2 0.000 . 4.130 3.682 3.122 4.231 0.101 13 0 "[ . 1 . 2]" 1
700 1 55 LEU QD 1 60 SER H 0.000 . 4.620 2.930 2.296 4.327 . 0 0 "[ . 1 . 2]" 1
701 1 56 GLN HA 1 56 GLN QG 0.000 . 3.870 2.396 2.033 3.341 . 0 0 "[ . 1 . 2]" 1
702 1 56 GLN H 1 56 GLN QG 0.000 . 3.970 3.492 2.096 4.042 0.072 12 0 "[ . 1 . 2]" 1
703 1 56 GLN H 1 56 GLN HB3 0.000 . 3.710 3.158 2.240 3.763 0.053 9 0 "[ . 1 . 2]" 1
704 1 56 GLN H 1 56 GLN HB2 0.000 . 3.870 2.441 2.123 3.769 . 0 0 "[ . 1 . 2]" 1
705 1 56 GLN HA 1 57 ASN H 0.000 . 3.180 2.360 2.118 3.550 0.370 12 0 "[ . 1 . 2]" 1
706 1 56 GLN QG 1 57 ASN H 0.000 . 4.470 3.609 2.662 4.689 0.219 14 0 "[ . 1 . 2]" 1
707 1 56 GLN HB2 1 57 ASN H 0.000 . 4.840 4.114 2.792 4.606 . 0 0 "[ . 1 . 2]" 1
708 1 56 GLN H 1 58 ALA MB 0.000 . 4.530 3.554 3.120 3.938 . 0 0 "[ . 1 . 2]" 1
709 1 57 ASN H 1 58 ALA H 0.000 . 4.100 2.864 2.559 3.227 . 0 0 "[ . 1 . 2]" 1
710 1 58 ALA H 1 58 ALA MB 0.000 . 2.800 2.420 2.299 2.591 . 0 0 "[ . 1 . 2]" 1
711 1 58 ALA HA 1 59 HIS H 0.000 . 3.590 2.355 2.181 2.493 . 0 0 "[ . 1 . 2]" 1
712 1 58 ALA MB 1 59 HIS H 0.000 . 3.970 2.586 2.259 2.978 . 0 0 "[ . 1 . 2]" 1
713 1 58 ALA H 1 59 HIS HD2 0.000 . 3.690 4.909 4.138 5.595 1.905 19 18 "[*-**.* ***********+*]" 1
714 1 58 ALA MB 1 60 SER H 0.000 . 3.450 2.529 2.270 2.755 . 0 0 "[ . 1 . 2]" 1
715 1 58 ALA HA 1 60 SER H 0.000 . 4.600 4.041 3.731 4.188 . 0 0 "[ . 1 . 2]" 1
716 1 59 HIS HA 1 59 HIS HD2 0.000 . 4.030 2.229 2.028 2.681 . 0 0 "[ . 1 . 2]" 1
717 1 59 HIS HB3 1 59 HIS HD2 0.000 . 4.180 3.591 3.297 3.934 . 0 0 "[ . 1 . 2]" 1
718 1 59 HIS H 1 60 SER H 0.000 . 3.510 2.372 1.938 2.748 . 0 0 "[ . 1 . 2]" 1
719 1 59 HIS HA 1 60 SER H 0.000 . 3.650 3.050 2.874 3.401 . 0 0 "[ . 1 . 2]" 1
720 1 60 SER HA 1 61 MET H 0.000 . 3.180 2.337 2.220 2.440 . 0 0 "[ . 1 . 2]" 1
721 1 60 SER QB 1 61 MET H 0.000 . 3.370 2.567 2.321 2.919 . 0 0 "[ . 1 . 2]" 1
722 1 60 SER H 1 61 MET HA 0.000 . 4.790 4.655 4.530 4.802 0.012 19 0 "[ . 1 . 2]" 1
723 1 61 MET HA 1 61 MET HG3 0.000 . 3.660 3.327 2.373 3.767 0.107 7 0 "[ . 1 . 2]" 1
724 1 61 MET HA 1 61 MET HG2 0.000 . 3.900 3.539 2.533 4.103 0.203 5 0 "[ . 1 . 2]" 1
725 1 61 MET H 1 61 MET HB2 0.000 . 4.050 3.599 2.956 3.879 . 0 0 "[ . 1 . 2]" 1
726 1 61 MET H 1 61 MET HB3 0.000 . 4.140 2.932 2.568 3.234 . 0 0 "[ . 1 . 2]" 1
727 1 61 MET HA 1 62 ALA MB 0.000 . 4.000 3.881 3.809 3.935 . 0 0 "[ . 1 . 2]" 1
728 1 61 MET HA 1 62 ALA H 0.000 . 2.780 2.696 2.144 3.312 0.532 6 1 "[ .+ 1 . 2]" 1
729 1 61 MET HG3 1 62 ALA H 0.000 . 4.170 2.838 2.123 3.843 . 0 0 "[ . 1 . 2]" 1
730 1 61 MET HB3 1 62 ALA H 0.000 . 4.470 3.561 1.932 4.348 . 0 0 "[ . 1 . 2]" 1
731 1 61 MET HB2 1 62 ALA H 0.000 . 4.620 2.826 1.896 4.394 . 0 0 "[ . 1 . 2]" 1
732 1 61 MET HG2 1 62 ALA H 0.000 . 4.420 3.201 1.901 4.195 . 0 0 "[ . 1 . 2]" 1
733 1 61 MET ME 1 63 LEU QD 0.000 . 2.690 2.105 1.724 3.498 0.808 15 1 "[ . 1 + 2]" 1
734 1 62 ALA H 1 62 ALA MB 0.000 . 2.940 2.493 2.059 2.910 . 0 0 "[ . 1 . 2]" 1
735 1 62 ALA HA 1 63 LEU H 0.000 . 3.080 2.387 2.232 3.222 0.142 17 0 "[ . 1 . 2]" 1
736 1 63 LEU HA 1 63 LEU QD 0.000 . 3.340 2.297 1.977 2.611 . 0 0 "[ . 1 . 2]" 1
737 1 63 LEU HA 1 63 LEU HG 0.000 . 3.840 2.801 2.566 3.019 . 0 0 "[ . 1 . 2]" 1
738 1 63 LEU H 1 63 LEU QD 0.000 . 4.070 2.970 2.737 3.278 . 0 0 "[ . 1 . 2]" 1
739 1 63 LEU MD1 1 63 LEU MD2 0.000 . 2.840 2.045 1.931 2.091 . 0 0 "[ . 1 . 2]" 1
740 1 63 LEU H 1 63 LEU QB 0.000 . 3.700 2.579 2.258 3.112 . 0 0 "[ . 1 . 2]" 1
741 1 63 LEU HA 1 64 PRO HD2 0.000 . 3.640 2.374 2.124 2.542 . 0 0 "[ . 1 . 2]" 1
742 1 63 LEU HA 1 64 PRO HD3 0.000 . 3.460 2.165 1.938 2.379 . 0 0 "[ . 1 . 2]" 1
743 1 63 LEU QD 1 64 PRO HD3 0.000 . 3.920 3.875 3.308 4.201 0.281 4 0 "[ . 1 . 2]" 1
744 1 63 LEU QD 1 64 PRO HD2 0.000 . 3.800 3.458 2.639 3.838 0.038 3 0 "[ . 1 . 2]" 1
745 1 63 LEU QB 1 64 PRO HD2 0.000 . 4.010 3.756 3.192 4.097 0.087 17 0 "[ . 1 . 2]" 1
746 1 63 LEU QD 1 66 LEU HG 0.000 . 4.430 3.636 2.944 3.957 . 0 0 "[ . 1 . 2]" 1
747 1 63 LEU QD 1 66 LEU QD 0.000 . 3.060 1.819 1.601 1.992 . 0 0 "[ . 1 . 2]" 1
748 1 63 LEU QB 1 66 LEU QD 0.000 . 4.010 1.710 1.626 1.807 . 0 0 "[ . 1 . 2]" 1
749 1 63 LEU QB 1 65 ALA H 0.000 . 4.360 4.848 4.465 5.278 0.918 16 11 "[ -**.*** ** **+ 2]" 1
750 1 63 LEU QD 1 98 TRP HZ2 0.000 . 3.690 2.014 1.758 2.185 . 0 0 "[ . 1 . 2]" 1
751 1 63 LEU QD 1 98 TRP HH2 0.000 . 3.240 2.255 1.984 2.536 . 0 0 "[ . 1 . 2]" 1
752 1 63 LEU HG 1 98 TRP HZ2 0.000 . 4.790 4.640 4.189 4.874 0.084 14 0 "[ . 1 . 2]" 1
753 1 64 PRO HG2 1 65 ALA H 0.000 . 3.180 1.947 1.897 2.055 . 0 0 "[ . 1 . 2]" 1
754 1 64 PRO QB 1 65 ALA H 0.000 . 3.860 2.559 2.050 2.932 . 0 0 "[ . 1 . 2]" 1
755 1 64 PRO HG3 1 65 ALA H 0.000 . 4.530 3.459 3.433 3.492 . 0 0 "[ . 1 . 2]" 1
756 1 64 PRO HD2 1 66 LEU QD 0.000 . 4.640 3.170 2.854 3.416 . 0 0 "[ . 1 . 2]" 1
757 1 64 PRO HD3 1 66 LEU QD 0.000 . 4.580 4.258 3.958 4.523 . 0 0 "[ . 1 . 2]" 1
758 1 65 ALA H 1 65 ALA MB 0.000 . 2.320 2.192 2.053 2.301 . 0 0 "[ . 1 . 2]" 1
759 1 65 ALA H 1 66 LEU H 0.000 . 4.150 4.076 3.708 4.416 0.266 16 0 "[ . 1 . 2]" 1
760 1 65 ALA MB 1 66 LEU QD 0.000 . 3.890 3.508 3.176 4.110 0.220 16 0 "[ . 1 . 2]" 1
761 1 65 ALA HA 1 66 LEU QD 0.000 . 4.250 3.885 3.709 4.123 . 0 0 "[ . 1 . 2]" 1
762 1 65 ALA HA 1 66 LEU H 0.000 . 2.700 2.282 2.106 2.534 . 0 0 "[ . 1 . 2]" 1
763 1 66 LEU HA 1 66 LEU QD 0.000 . 3.080 1.956 1.869 2.901 . 0 0 "[ . 1 . 2]" 1
764 1 66 LEU MD1 1 66 LEU MD2 0.000 . 2.910 1.925 1.866 1.989 . 0 0 "[ . 1 . 2]" 1
765 1 66 LEU H 1 66 LEU QD 0.000 . 3.940 3.121 2.935 3.349 . 0 0 "[ . 1 . 2]" 1
766 1 66 LEU H 1 66 LEU HG 0.000 . 3.320 3.048 2.756 3.785 0.465 16 0 "[ . 1 . 2]" 1
767 1 66 LEU H 1 66 LEU HB2 0.000 . 3.620 2.768 2.673 2.854 . 0 0 "[ . 1 . 2]" 1
768 1 66 LEU HB3 1 67 GLU H 0.000 . 3.790 1.995 1.779 2.550 . 0 0 "[ . 1 . 2]" 1
769 1 66 LEU QD 1 67 GLU H 0.000 . 3.870 3.335 3.010 3.540 . 0 0 "[ . 1 . 2]" 1
770 1 66 LEU HA 1 67 GLU H 0.000 . 3.280 2.753 2.386 3.041 . 0 0 "[ . 1 . 2]" 1
771 1 66 LEU HB2 1 67 GLU H 0.000 . 3.840 2.860 2.456 3.486 . 0 0 "[ . 1 . 2]" 1
772 1 66 LEU QD 1 72 TYR QE 0.000 . 3.130 2.172 1.873 2.656 . 0 0 "[ . 1 . 2]" 1
773 1 66 LEU HA 1 72 TYR QE 0.000 . 4.120 2.873 2.251 3.352 . 0 0 "[ . 1 . 2]" 1
774 1 66 LEU QD 1 100 THR MG 0.000 . 3.360 2.400 2.021 2.743 . 0 0 "[ . 1 . 2]" 1
775 1 66 LEU QD 1 98 TRP HE1 0.000 . 3.040 2.769 2.272 3.243 0.203 11 0 "[ . 1 . 2]" 1
776 1 66 LEU QD 1 98 TRP HZ2 0.000 . 4.110 1.967 1.769 2.196 . 0 0 "[ . 1 . 2]" 1
777 1 66 LEU QD 1 98 TRP HD1 0.000 . 4.100 4.810 4.329 5.296 1.196 11 18 "[ * *****-*+*********]" 1
778 1 66 LEU QD 1 72 TYR QD 0.000 . 4.350 2.918 2.478 3.310 . 0 0 "[ . 1 . 2]" 1
779 1 67 GLU HB3 1 68 PRO QD 0.000 . 4.000 3.238 2.281 4.361 0.361 13 0 "[ . 1 . 2]" 1
780 1 67 GLU H 1 68 PRO QD 0.000 . 4.440 4.163 3.648 4.353 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU H 1 72 TYR QE 0.000 . 3.750 2.248 1.889 2.803 . 0 0 "[ . 1 . 2]" 1
782 1 67 GLU H 1 100 THR HB 0.000 . 4.100 4.333 4.104 4.510 0.410 7 0 "[ . 1 . 2]" 1
783 1 67 GLU H 1 100 THR MG 0.000 . 4.450 2.717 2.380 3.439 . 0 0 "[ . 1 . 2]" 1
784 1 68 PRO HA 1 69 SER H 0.000 . 3.520 2.289 2.182 2.404 . 0 0 "[ . 1 . 2]" 1
785 1 68 PRO QB 1 69 SER H 0.000 . 3.830 2.846 2.536 3.146 . 0 0 "[ . 1 . 2]" 1
786 1 68 PRO QD 1 72 TYR QE 0.000 . 3.430 5.212 4.917 5.607 2.177 18 20 [**************-**+**] 1
787 1 69 SER H 1 69 SER HA 0.000 . 2.760 2.279 2.274 2.285 . 0 0 "[ . 1 . 2]" 1
788 1 69 SER HA 1 70 THR H 0.000 . 3.620 2.781 2.548 2.979 . 0 0 "[ . 1 . 2]" 1
789 1 69 SER H 1 70 THR H 0.000 . 3.970 2.765 2.619 2.980 . 0 0 "[ . 1 . 2]" 1
790 1 69 SER H 1 71 ARG H 0.000 . 4.400 7.021 6.777 7.266 2.866 15 20 [**************+**-**] 1
791 1 69 SER QB 1 101 GLU QB 0.000 . 3.530 6.288 5.639 6.831 3.301 10 20 [*******-*+**********] 1
792 1 69 SER H 1 100 THR HG1 0.000 . 3.970 3.217 2.826 3.547 . 0 0 "[ . 1 . 2]" 1
793 1 69 SER QB 1 102 SER HA 0.000 . 4.010 3.408 2.065 4.334 0.324 7 0 "[ . 1 . 2]" 1
794 1 69 SER QB 1 102 SER QB 0.000 . 3.620 3.263 2.145 5.188 1.568 8 2 "[ . + 1 . - 2]" 1
795 1 69 SER HA 1 100 THR HG1 0.000 . 4.360 4.510 4.039 4.781 0.421 1 0 "[ . 1 . 2]" 1
796 1 69 SER H 1 100 THR MG 0.000 . 4.790 4.728 4.273 4.817 0.027 4 0 "[ . 1 . 2]" 1
797 1 69 SER H 1 100 THR HB 0.000 . 3.620 3.633 2.897 3.982 0.362 10 0 "[ . 1 . 2]" 1
798 1 69 SER HA 1 100 THR H 0.000 . 4.700 4.714 4.022 5.163 0.463 14 0 "[ . 1 . 2]" 1
799 1 70 THR HA 1 70 THR MG 0.000 . 3.180 2.473 2.225 2.590 . 0 0 "[ . 1 . 2]" 1
800 1 70 THR H 1 70 THR HB 0.000 . 3.640 2.873 2.677 3.036 . 0 0 "[ . 1 . 2]" 1
801 1 70 THR H 1 70 THR MG 0.000 . 4.040 3.936 3.834 4.030 . 0 0 "[ . 1 . 2]" 1
802 1 70 THR HA 1 71 ARG H 0.000 . 2.770 2.254 2.153 2.380 . 0 0 "[ . 1 . 2]" 1
803 1 70 THR MG 1 71 ARG H 0.000 . 3.280 2.201 1.889 2.506 . 0 0 "[ . 1 . 2]" 1
804 1 70 THR HB 1 71 ARG H 0.000 . 4.580 3.969 3.641 4.208 . 0 0 "[ . 1 . 2]" 1
805 1 70 THR MG 1 71 ARG QB 0.000 . 4.450 3.540 3.200 3.848 . 0 0 "[ . 1 . 2]" 1
806 1 70 THR H 1 71 ARG H 0.000 . 4.320 4.310 4.168 4.374 0.054 8 0 "[ . 1 . 2]" 1
807 1 70 THR HB 1 72 TYR QD 0.000 . 4.480 3.539 2.894 3.985 . 0 0 "[ . 1 . 2]" 1
808 1 70 THR H 1 100 THR HG1 0.000 . 3.600 2.264 1.954 2.585 . 0 0 "[ . 1 . 2]" 1
809 1 70 THR HB 1 100 THR HG1 0.000 . 4.120 2.922 2.583 3.472 . 0 0 "[ . 1 . 2]" 1
810 1 70 THR H 1 100 THR HB 0.000 . 4.270 4.017 3.608 4.285 0.015 7 0 "[ . 1 . 2]" 1
811 1 70 THR H 1 100 THR MG 0.000 . 4.300 4.017 3.646 4.531 0.231 19 0 "[ . 1 . 2]" 1
812 1 70 THR H 1 100 THR H 0.000 . 3.970 3.126 2.638 3.615 . 0 0 "[ . 1 . 2]" 1
813 1 71 ARG HA 1 71 ARG QD 0.000 . 4.830 3.938 3.615 4.179 . 0 0 "[ . 1 . 2]" 1
814 1 71 ARG HE 1 71 ARG HG3 0.000 . 4.190 3.088 2.318 3.537 . 0 0 "[ . 1 . 2]" 1
815 1 71 ARG H 1 71 ARG QB 0.000 . 3.510 2.115 2.082 2.401 . 0 0 "[ . 1 . 2]" 1
816 1 71 ARG QB 1 71 ARG HE 0.000 . 4.100 2.755 1.892 3.848 . 0 0 "[ . 1 . 2]" 1
817 1 71 ARG H 1 71 ARG HG2 0.000 . 4.810 4.390 4.040 4.604 . 0 0 "[ . 1 . 2]" 1
818 1 71 ARG HA 1 72 TYR H 0.000 . 3.610 2.294 2.139 2.477 . 0 0 "[ . 1 . 2]" 1
819 1 71 ARG H 1 72 TYR H 0.000 . 4.610 4.551 4.222 4.620 0.010 5 0 "[ . 1 . 2]" 1
820 1 71 ARG HG2 1 72 TYR H 0.000 . 4.530 3.147 2.435 4.096 . 0 0 "[ . 1 . 2]" 1
821 1 71 ARG HG3 1 72 TYR H 0.000 . 4.500 4.170 3.522 4.904 0.404 1 0 "[ . 1 . 2]" 1
822 1 71 ARG QB 1 72 TYR H 0.000 . 4.720 3.069 2.291 3.818 . 0 0 "[ . 1 . 2]" 1
823 1 71 ARG QD 1 73 TRP HZ2 0.000 . 4.430 3.290 2.642 4.428 . 0 0 "[ . 1 . 2]" 1
824 1 71 ARG QD 1 73 TRP HE1 0.000 . 4.370 2.554 1.923 3.241 . 0 0 "[ . 1 . 2]" 1
825 1 71 ARG QD 1 73 TRP HD1 0.000 . 4.730 4.479 3.658 4.967 0.237 20 0 "[ . 1 . 2]" 1
826 1 71 ARG HG2 1 73 TRP HE1 0.000 . 4.570 3.903 2.957 4.628 0.058 15 0 "[ . 1 . 2]" 1
827 1 71 ARG HA 1 99 ASP HA 0.000 . 4.010 2.712 2.168 3.172 . 0 0 "[ . 1 . 2]" 1
828 1 71 ARG HG2 1 97 SER QB 0.000 . 3.760 3.218 2.536 4.388 0.628 20 1 "[ . 1 . +]" 1
829 1 71 ARG H 1 100 THR HG1 0.000 . 4.800 5.568 4.998 6.154 1.354 15 18 "[**-**** ******+*** *]" 1
830 1 71 ARG QD 1 97 SER QB 0.000 . 4.390 3.197 2.061 4.614 0.224 20 0 "[ . 1 . 2]" 1
831 1 71 ARG QB 1 98 TRP H 0.000 . 4.790 4.605 3.465 5.181 0.391 4 0 "[ . 1 . 2]" 1
832 1 71 ARG HG2 1 98 TRP H 0.000 . 4.500 3.855 3.262 4.783 0.283 20 0 "[ . 1 . 2]" 1
833 1 71 ARG HA 1 99 ASP H 0.000 . 4.870 4.996 4.472 5.362 0.492 16 0 "[ . 1 . 2]" 1
834 1 71 ARG HA 1 100 THR H 0.000 . 4.170 3.804 3.357 4.244 0.074 9 0 "[ . 1 . 2]" 1
835 1 71 ARG HE 1 98 TRP H 0.000 . 4.240 6.302 4.615 7.712 3.472 4 17 "[* +* **-***********]" 1
836 1 72 TYR HB3 1 72 TYR QE 0.000 . 4.590 4.395 4.380 4.417 . 0 0 "[ . 1 . 2]" 1
837 1 72 TYR QD 1 73 TRP H 0.000 . 4.370 4.056 3.603 4.481 0.111 18 0 "[ . 1 . 2]" 1
838 1 72 TYR HB3 1 73 TRP H 0.000 . 4.750 3.619 3.420 3.886 . 0 0 "[ . 1 . 2]" 1
839 1 72 TYR HB2 1 73 TRP H 0.000 . 4.240 4.496 4.416 4.591 0.351 11 0 "[ . 1 . 2]" 1
840 1 72 TYR HA 1 73 TRP H 0.000 . 3.600 2.115 2.093 2.136 . 0 0 "[ . 1 . 2]" 1
841 1 72 TYR QD 1 100 THR MG 0.000 . 3.590 2.583 2.085 3.171 . 0 0 "[ . 1 . 2]" 1
842 1 72 TYR QE 1 100 THR MG 0.000 . 3.330 3.065 2.370 3.651 0.321 8 0 "[ . 1 . 2]" 1
843 1 72 TYR H 1 97 SER QB 0.000 . 3.950 3.992 3.446 4.778 0.828 17 3 "[-* . 1 . + 2]" 1
844 1 72 TYR QE 1 100 THR HG1 0.000 . 3.780 3.779 2.735 4.092 0.312 14 0 "[ . 1 . 2]" 1
845 1 72 TYR H 1 99 ASP HA 0.000 . 4.430 3.826 3.545 4.009 . 0 0 "[ . 1 . 2]" 1
846 1 72 TYR H 1 98 TRP H 0.000 . 3.780 2.629 2.198 3.296 . 0 0 "[ . 1 . 2]" 1
847 1 72 TYR HB2 1 98 TRP HE1 0.000 . 4.750 3.424 2.830 3.834 . 0 0 "[ . 1 . 2]" 1
848 1 73 TRP HB2 1 73 TRP HE3 0.000 . 3.980 3.938 3.759 4.057 0.077 5 0 "[ . 1 . 2]" 1
849 1 73 TRP H 1 73 TRP HB3 0.000 . 4.340 3.682 3.605 3.727 . 0 0 "[ . 1 . 2]" 1
850 1 73 TRP H 1 73 TRP HD1 0.000 . 4.260 2.485 2.306 2.617 . 0 0 "[ . 1 . 2]" 1
851 1 73 TRP HA 1 74 ALA H 0.000 . 3.300 2.179 2.142 2.295 . 0 0 "[ . 1 . 2]" 1
852 1 73 TRP HB2 1 74 ALA H 0.000 . 4.230 4.397 4.280 4.485 0.255 5 0 "[ . 1 . 2]" 1
853 1 73 TRP HE3 1 74 ALA H 0.000 . 4.550 4.989 4.436 5.215 0.665 18 10 "[*** * * ** * . +-2]" 1
854 1 73 TRP HB3 1 74 ALA H 0.000 . 4.520 3.694 3.439 4.052 . 0 0 "[ . 1 . 2]" 1
855 1 73 TRP HE3 1 95 ALA MB 0.000 . 3.080 2.437 1.965 2.880 . 0 0 "[ . 1 . 2]" 1
856 1 73 TRP HE3 1 97 SER QB 0.000 . 4.180 3.568 2.981 4.266 0.086 14 0 "[ . 1 . 2]" 1
857 1 73 TRP HZ3 1 97 SER QB 0.000 . 4.130 3.851 3.083 4.756 0.626 9 1 "[ . +1 . 2]" 1
858 1 73 TRP HZ2 1 97 SER QB 0.000 . 4.790 3.238 2.898 3.480 . 0 0 "[ . 1 . 2]" 1
859 1 73 TRP HH2 1 97 SER QB 0.000 . 4.430 3.747 3.133 4.373 . 0 0 "[ . 1 . 2]" 1
860 1 73 TRP HZ3 1 96 ARG HA 0.000 . 4.710 4.805 4.221 5.001 0.291 3 0 "[ . 1 . 2]" 1
861 1 73 TRP HE3 1 96 ARG H 0.000 . 4.470 4.372 3.947 4.853 0.383 3 0 "[ . 1 . 2]" 1
862 1 73 TRP HZ3 1 97 SER H 0.000 . 4.570 4.706 4.274 5.264 0.694 9 1 "[ . +1 . 2]" 1
863 1 73 TRP HE3 1 95 ALA HA 0.000 . 4.690 4.599 3.937 5.129 0.439 9 0 "[ . 1 . 2]" 1
864 1 74 ALA HA 1 75 ARG H 0.000 . 3.180 2.428 2.238 2.612 . 0 0 "[ . 1 . 2]" 1
865 1 74 ALA MB 1 75 ARG H 0.000 . 3.400 2.271 1.924 2.652 . 0 0 "[ . 1 . 2]" 1
866 1 74 ALA MB 1 98 TRP HZ3 0.000 . 3.160 1.844 1.790 1.971 . 0 0 "[ . 1 . 2]" 1
867 1 74 ALA H 1 96 ARG H 0.000 . 3.930 3.203 2.812 3.735 . 0 0 "[ . 1 . 2]" 1
868 1 74 ALA H 1 98 TRP HZ3 0.000 . 4.110 2.443 1.926 3.159 . 0 0 "[ . 1 . 2]" 1
869 1 74 ALA H 1 95 ALA HA 0.000 . 4.680 4.613 4.244 5.075 0.395 2 0 "[ . 1 . 2]" 1
870 1 75 ARG H 1 75 ARG QG 0.000 . 4.640 2.441 2.232 2.706 . 0 0 "[ . 1 . 2]" 1
871 1 75 ARG HA 1 76 VAL MG1 0.000 . 4.230 3.817 3.619 4.093 . 0 0 "[ . 1 . 2]" 1
872 1 75 ARG HA 1 76 VAL H 0.000 . 3.890 2.539 2.354 2.637 . 0 0 "[ . 1 . 2]" 1
873 1 75 ARG QB 1 76 VAL H 0.000 . 4.630 2.243 2.050 2.644 . 0 0 "[ . 1 . 2]" 1
874 1 75 ARG QB 1 95 ALA HA 0.000 . 4.460 2.766 2.349 3.085 . 0 0 "[ . 1 . 2]" 1
875 1 75 ARG QB 1 92 TRP HB3 0.000 . 4.500 3.417 2.604 3.712 . 0 0 "[ . 1 . 2]" 1
876 1 76 VAL HA 1 76 VAL MG2 0.000 . 3.590 2.198 2.094 2.342 . 0 0 "[ . 1 . 2]" 1
877 1 76 VAL H 1 76 VAL MG1 0.000 . 3.820 2.504 2.199 2.654 . 0 0 "[ . 1 . 2]" 1
878 1 76 VAL H 1 76 VAL HB 0.000 . 4.370 3.274 3.109 3.391 . 0 0 "[ . 1 . 2]" 1
879 1 76 VAL HA 1 77 ARG H 0.000 . 3.520 2.148 2.117 2.177 . 0 0 "[ . 1 . 2]" 1
880 1 76 VAL MG2 1 77 ARG H 0.000 . 3.770 2.361 2.132 2.707 . 0 0 "[ . 1 . 2]" 1
881 1 76 VAL MG1 1 77 ARG H 0.000 . 4.340 3.777 3.654 3.920 . 0 0 "[ . 1 . 2]" 1
882 1 76 VAL HA 1 92 TRP HZ3 0.000 . 3.760 2.187 1.932 2.850 . 0 0 "[ . 1 . 2]" 1
883 1 76 VAL MG1 1 93 SER QB 0.000 . 4.320 2.112 1.788 2.497 . 0 0 "[ . 1 . 2]" 1
884 1 76 VAL H 1 95 ALA HA 0.000 . 4.710 5.353 4.952 5.930 1.220 15 14 "[ **** -*****+* * *]" 1
885 1 76 VAL H 1 93 SER H 0.000 . 4.340 2.672 2.271 3.012 . 0 0 "[ . 1 . 2]" 1
886 1 76 VAL MG1 1 93 SER H 0.000 . 4.430 3.516 3.236 3.766 . 0 0 "[ . 1 . 2]" 1
887 1 76 VAL HA 1 92 TRP HH2 0.000 . 4.660 4.099 3.701 4.967 0.307 13 0 "[ . 1 . 2]" 1
888 1 77 ARG H 1 77 ARG QG 0.000 . 3.990 2.490 1.956 3.971 . 0 0 "[ . 1 . 2]" 1
889 1 77 ARG HA 1 78 VAL H 0.000 . 3.510 2.200 2.165 2.262 . 0 0 "[ . 1 . 2]" 1
890 1 77 ARG QG 1 89 TRP HZ3 0.000 . 3.830 3.724 2.115 4.227 0.397 20 0 "[ . 1 . 2]" 1
891 1 77 ARG QB 1 89 TRP QB 0.000 . 4.020 3.666 3.012 4.273 0.253 1 0 "[ . 1 . 2]" 1
892 1 77 ARG QG 1 89 TRP HE3 0.000 . 4.000 3.764 2.112 4.581 0.581 17 1 "[ . 1 . + 2]" 1
893 1 77 ARG QB 1 89 TRP HE3 0.000 . 4.050 2.147 1.878 3.040 . 0 0 "[ . 1 . 2]" 1
894 1 77 ARG QB 1 90 SER H 0.000 . 4.460 3.548 3.094 4.598 0.138 1 0 "[ . 1 . 2]" 1
895 1 77 ARG HA 1 93 SER H 0.000 . 4.240 3.389 2.839 3.656 . 0 0 "[ . 1 . 2]" 1
896 1 78 VAL H 1 78 VAL QG 0.000 . 3.410 2.036 1.893 2.299 . 0 0 "[ . 1 . 2]" 1
897 1 78 VAL HA 1 79 ARG H 0.000 . 3.390 2.155 2.087 2.307 . 0 0 "[ . 1 . 2]" 1
898 1 78 VAL QG 1 79 ARG H 0.000 . 3.580 2.677 1.929 3.183 . 0 0 "[ . 1 . 2]" 1
899 1 78 VAL QG 1 80 THR MG 0.000 . 4.370 3.967 3.264 4.728 0.358 16 0 "[ . 1 . 2]" 1
900 1 78 VAL HA 1 89 TRP HZ3 0.000 . 4.000 3.789 3.321 4.369 0.369 5 0 "[ . 1 . 2]" 1
901 1 78 VAL QG 1 90 SER QB 0.000 . 4.090 2.479 1.819 3.330 . 0 0 "[ . 1 . 2]" 1
902 1 78 VAL H 1 90 SER QB 0.000 . 4.240 2.832 2.054 3.647 . 0 0 "[ . 1 . 2]" 1
903 1 78 VAL H 1 90 SER H 0.000 . 4.320 4.157 3.654 4.682 0.362 8 0 "[ . 1 . 2]" 1
904 1 78 VAL H 1 89 TRP HZ3 0.000 . 4.280 4.503 3.681 4.871 0.591 13 8 "[ ** * * -1 +*. *]" 1
905 1 78 VAL H 1 89 TRP HE3 0.000 . 4.340 4.271 3.946 4.840 0.500 17 0 "[ . 1 . 2]" 1
906 1 78 VAL HA 1 89 TRP HE3 0.000 . 4.760 4.704 4.099 5.092 0.332 15 0 "[ . 1 . 2]" 1
907 1 78 VAL QG 1 90 SER H 0.000 . 4.070 4.317 3.505 4.883 0.813 6 6 "[ .+** 1 .*- *]" 1
908 1 79 ARG HA 1 80 THR H 0.000 . 4.430 2.528 2.148 3.485 . 0 0 "[ . 1 . 2]" 1
909 1 79 ARG H 1 89 TRP HZ3 0.000 . 4.350 3.872 2.898 4.819 0.469 9 0 "[ . 1 . 2]" 1
910 1 80 THR H 1 80 THR MG 0.000 . 3.790 2.907 1.895 4.015 0.225 16 0 "[ . 1 . 2]" 1
911 1 80 THR H 1 80 THR HB 0.000 . 4.120 3.380 2.316 3.999 . 0 0 "[ . 1 . 2]" 1
912 1 80 THR MG 1 81 SER QB 0.000 . 4.170 5.503 3.847 6.145 1.975 1 19 "[+** ***************-]" 1
913 1 80 THR HB 1 81 SER H 0.000 . 3.850 4.151 2.959 4.514 0.664 5 4 "[ * + - 1* . 2]" 1
914 1 80 THR HA 1 81 SER H 0.000 . 3.580 2.536 2.156 3.550 . 0 0 "[ . 1 . 2]" 1
915 1 80 THR MG 1 81 SER H 0.000 . 4.020 4.038 1.873 4.437 0.417 17 0 "[ . 1 . 2]" 1
916 1 81 SER HA 1 82 ARG H 0.000 . 3.260 2.974 2.372 3.560 0.300 20 0 "[ . 1 . 2]" 1
917 1 81 SER H 1 82 ARG H 0.000 . 4.070 3.376 2.510 4.007 . 0 0 "[ . 1 . 2]" 1
918 1 82 ARG H 1 82 ARG HB2 0.000 . 4.350 2.663 2.173 3.640 . 0 0 "[ . 1 . 2]" 1
919 1 82 ARG H 1 82 ARG HB3 0.000 . 3.910 3.458 2.708 4.021 0.111 20 0 "[ . 1 . 2]" 1
920 1 82 ARG HA 1 83 THR H 0.000 . 3.900 2.694 2.144 3.549 . 0 0 "[ . 1 . 2]" 1
921 1 82 ARG HB2 1 85 TYR QD 0.000 . 4.560 4.324 3.460 5.185 0.625 9 2 "[ -. +1 . 2]" 1
922 1 82 ARG H 1 85 TYR HB3 0.000 . 4.840 3.356 1.988 5.362 0.522 11 1 "[ . 1+ . 2]" 1
923 1 82 ARG H 1 85 TYR HB2 0.000 . 4.760 4.236 3.027 5.386 0.626 13 6 "[ * * *-1 + . * 2]" 1
924 1 83 THR HA 1 83 THR MG 0.000 . 2.730 2.486 2.061 2.650 . 0 0 "[ . 1 . 2]" 1
925 1 83 THR H 1 83 THR MG 0.000 . 4.480 2.516 1.881 3.732 . 0 0 "[ . 1 . 2]" 1
926 1 83 THR MG 1 84 GLY H 0.000 . 4.660 3.835 3.318 4.364 . 0 0 "[ . 1 . 2]" 1
927 1 84 GLY HA3 1 85 TYR H 0.000 . 3.750 3.344 2.834 3.553 . 0 0 "[ . 1 . 2]" 1
928 1 84 GLY HA2 1 85 TYR H 0.000 . 3.880 3.114 2.780 3.541 . 0 0 "[ . 1 . 2]" 1
929 1 85 TYR HA 1 85 TYR QD 0.000 . 4.070 3.396 1.875 3.714 . 0 0 "[ . 1 . 2]" 1
930 1 85 TYR H 1 85 TYR HB2 0.000 . 4.330 3.370 2.307 3.678 . 0 0 "[ . 1 . 2]" 1
931 1 85 TYR H 1 85 TYR QD 0.000 . 4.290 2.846 1.993 4.096 . 0 0 "[ . 1 . 2]" 1
932 1 85 TYR QD 1 86 ASN QB 0.000 . 4.810 4.477 3.980 4.882 0.072 3 0 "[ . 1 . 2]" 1
933 1 86 ASN QB 1 87 GLY H 0.000 . 4.610 2.399 1.866 3.614 . 0 0 "[ . 1 . 2]" 1
934 1 87 GLY HA3 1 88 ILE H 0.000 . 3.360 3.482 3.338 3.574 0.214 19 0 "[ . 1 . 2]" 1
935 1 87 GLY HA2 1 88 ILE H 0.000 . 3.460 2.850 2.206 3.233 . 0 0 "[ . 1 . 2]" 1
936 1 87 GLY HA2 1 88 ILE MG 0.000 . 4.370 4.131 3.501 4.658 0.288 5 0 "[ . 1 . 2]" 1
937 1 87 GLY H 1 88 ILE H 0.000 . 4.330 2.589 1.911 4.273 . 0 0 "[ . 1 . 2]" 1
938 1 88 ILE HA 1 88 ILE QG 0.000 . 3.430 3.173 2.067 3.487 0.057 10 0 "[ . 1 . 2]" 1
939 1 88 ILE H 1 88 ILE HB 0.000 . 3.600 3.568 2.510 3.996 0.396 18 0 "[ . 1 . 2]" 1
940 1 88 ILE H 1 88 ILE QG 0.000 . 3.870 3.512 2.487 4.029 0.159 20 0 "[ . 1 . 2]" 1
941 1 88 ILE QG 1 89 TRP HD1 0.000 . 4.630 4.838 4.631 5.114 0.484 11 0 "[ . 1 . 2]" 1
942 1 88 ILE QG 1 89 TRP H 0.000 . 3.770 2.277 1.859 3.131 . 0 0 "[ . 1 . 2]" 1
943 1 88 ILE HB 1 89 TRP H 0.000 . 3.880 2.791 1.931 4.103 0.223 11 0 "[ . 1 . 2]" 1
944 1 88 ILE MD 1 89 TRP QB 0.000 . 4.820 4.449 3.788 4.730 . 0 0 "[ . 1 . 2]" 1
945 1 88 ILE QG 1 89 TRP QB 0.000 . 4.790 4.126 3.871 4.374 . 0 0 "[ . 1 . 2]" 1
946 1 88 ILE HA 1 89 TRP HD1 0.000 . 4.340 3.892 3.040 4.951 0.611 17 4 "[ *.* - 1 . + 2]" 1
947 1 88 ILE H 1 89 TRP H 0.000 . 4.590 4.058 2.043 4.586 . 0 0 "[ . 1 . 2]" 1
948 1 88 ILE HA 1 89 TRP H 0.000 . 3.060 2.735 2.234 3.508 0.448 3 0 "[ . 1 . 2]" 1
949 1 89 TRP QB 1 89 TRP HE3 0.000 . 3.880 2.495 2.351 2.748 . 0 0 "[ . 1 . 2]" 1
950 1 89 TRP HA 1 89 TRP HE3 0.000 . 4.190 3.661 2.972 4.051 . 0 0 "[ . 1 . 2]" 1
951 1 89 TRP H 1 89 TRP HD1 0.000 . 4.000 3.914 2.988 4.964 0.964 8 6 "[ *.* + 1 - ** 2]" 1
952 1 89 TRP H 1 89 TRP QB 0.000 . 3.620 2.859 2.311 3.377 . 0 0 "[ . 1 . 2]" 1
953 1 89 TRP HA 1 90 SER H 0.000 . 3.790 2.452 2.204 2.651 . 0 0 "[ . 1 . 2]" 1
954 1 89 TRP HE3 1 90 SER QB 0.000 . 4.750 4.208 2.741 5.057 0.307 9 0 "[ . 1 . 2]" 1
955 1 89 TRP HE3 1 90 SER H 0.000 . 4.340 2.632 1.921 3.472 . 0 0 "[ . 1 . 2]" 1
956 1 89 TRP QB 1 90 SER H 0.000 . 4.340 2.392 1.922 3.196 . 0 0 "[ . 1 . 2]" 1
957 1 90 SER HA 1 91 GLU QG 0.000 . 4.400 4.408 3.190 5.933 1.533 8 4 "[ . *+ 1 *. - 2]" 1
958 1 90 SER HA 1 91 GLU H 0.000 . 3.530 2.818 2.226 3.555 0.025 3 0 "[ . 1 . 2]" 1
959 1 90 SER QB 1 91 GLU QG 0.000 . 4.860 4.653 2.409 6.295 1.435 17 4 "[ . -* 1 *. + 2]" 1
960 1 90 SER QB 1 91 GLU H 0.000 . 4.670 2.387 1.906 4.025 . 0 0 "[ . 1 . 2]" 1
961 1 91 GLU H 1 91 GLU QG 0.000 . 4.100 3.277 1.892 4.050 . 0 0 "[ . 1 . 2]" 1
962 1 91 GLU H 1 91 GLU HB2 0.000 . 4.180 2.651 2.107 3.962 . 0 0 "[ . 1 . 2]" 1
963 1 91 GLU HA 1 92 TRP H 0.000 . 3.100 3.197 2.206 3.570 0.470 19 0 "[ . 1 . 2]" 1
964 1 91 GLU HB2 1 92 TRP H 0.000 . 3.930 3.124 1.974 4.302 0.372 12 0 "[ . 1 . 2]" 1
965 1 91 GLU HB3 1 92 TRP H 0.000 . 3.840 2.874 1.921 4.370 0.530 5 1 "[ + 1 . 2]" 1
966 1 91 GLU H 1 92 TRP H 0.000 . 4.560 3.168 1.854 4.581 0.021 9 0 "[ . 1 . 2]" 1
967 1 91 GLU QG 1 92 TRP H 0.000 . 4.280 3.693 2.067 4.639 0.359 15 0 "[ . 1 . 2]" 1
968 1 92 TRP HA 1 92 TRP HE3 0.000 . 4.460 2.391 2.154 2.717 . 0 0 "[ . 1 . 2]" 1
969 1 92 TRP H 1 92 TRP HB2 0.000 . 3.830 3.017 2.277 3.335 . 0 0 "[ . 1 . 2]" 1
970 1 92 TRP HB2 1 92 TRP HD1 0.000 . 3.570 2.549 2.539 2.572 . 0 0 "[ . 1 . 2]" 1
971 1 92 TRP H 1 92 TRP HB3 0.000 . 4.040 3.876 3.526 4.112 0.072 15 0 "[ . 1 . 2]" 1
972 1 92 TRP H 1 92 TRP HD1 0.000 . 4.790 4.605 2.948 5.231 0.441 19 0 "[ . 1 . 2]" 1
973 1 92 TRP HA 1 93 SER H 0.000 . 3.290 2.175 2.135 2.290 . 0 0 "[ . 1 . 2]" 1
974 1 92 TRP HB3 1 93 SER H 0.000 . 4.400 3.426 2.792 3.894 . 0 0 "[ . 1 . 2]" 1
975 1 93 SER HA 1 94 GLU H 0.000 . 3.060 2.392 2.189 2.713 . 0 0 "[ . 1 . 2]" 1
976 1 93 SER H 1 94 GLU H 0.000 . 4.820 4.605 4.482 4.650 . 0 0 "[ . 1 . 2]" 1
977 1 93 SER QB 1 94 GLU H 0.000 . 3.980 2.520 1.946 2.982 . 0 0 "[ . 1 . 2]" 1
978 1 93 SER QB 1 95 ALA H 0.000 . 4.540 5.772 5.479 6.060 1.520 6 20 [*****+-*************] 1
979 1 94 GLU H 1 94 GLU QG 0.000 . 3.680 3.287 1.936 4.053 0.373 13 0 "[ . 1 . 2]" 1
980 1 94 GLU H 1 94 GLU QB 0.000 . 3.160 2.309 2.068 2.711 . 0 0 "[ . 1 . 2]" 1
981 1 94 GLU HA 1 95 ALA H 0.000 . 2.230 2.145 2.124 2.194 . 0 0 "[ . 1 . 2]" 1
982 1 94 GLU QB 1 95 ALA H 0.000 . 3.770 3.551 2.944 3.891 0.121 14 0 "[ . 1 . 2]" 1
983 1 94 GLU QG 1 95 ALA H 0.000 . 3.910 3.483 2.445 4.314 0.404 8 0 "[ . 1 . 2]" 1
984 1 94 GLU QG 1 96 ARG QD 0.000 . 4.060 3.545 2.299 4.283 0.223 13 0 "[ . 1 . 2]" 1
985 1 95 ALA H 1 95 ALA MB 0.000 . 2.940 2.110 2.031 2.226 . 0 0 "[ . 1 . 2]" 1
986 1 95 ALA HA 1 96 ARG H 0.000 . 3.210 2.188 2.140 2.266 . 0 0 "[ . 1 . 2]" 1
987 1 96 ARG HA 1 96 ARG QD 0.000 . 3.810 2.329 1.921 3.020 . 0 0 "[ . 1 . 2]" 1
988 1 96 ARG QB 1 96 ARG HE 0.000 . 4.790 3.623 2.750 4.368 . 0 0 "[ . 1 . 2]" 1
989 1 96 ARG HA 1 97 SER H 0.000 . 3.020 2.193 2.140 2.316 . 0 0 "[ . 1 . 2]" 1
990 1 96 ARG QB 1 97 SER H 0.000 . 3.980 3.060 2.619 3.398 . 0 0 "[ . 1 . 2]" 1
991 1 96 ARG QD 1 97 SER H 0.000 . 4.430 3.458 2.797 4.046 . 0 0 "[ . 1 . 2]" 1
992 1 96 ARG H 1 97 SER H 0.000 . 4.500 4.406 4.181 4.602 0.102 4 0 "[ . 1 . 2]" 1
993 1 96 ARG QB 1 98 TRP HE3 0.000 . 4.600 3.566 3.084 3.911 . 0 0 "[ . 1 . 2]" 1
994 1 97 SER HA 1 98 TRP HE3 0.000 . 3.600 3.302 2.856 3.596 . 0 0 "[ . 1 . 2]" 1
995 1 97 SER HA 1 98 TRP H 0.000 . 3.070 2.184 2.137 2.292 . 0 0 "[ . 1 . 2]" 1
996 1 97 SER QB 1 98 TRP H 0.000 . 3.950 3.134 2.843 3.384 . 0 0 "[ . 1 . 2]" 1
997 1 98 TRP HA 1 98 TRP HD1 0.000 . 4.380 4.262 4.182 4.376 . 0 0 "[ . 1 . 2]" 1
998 1 98 TRP HB2 1 98 TRP HD1 0.000 . 3.960 2.679 2.604 2.747 . 0 0 "[ . 1 . 2]" 1
999 1 98 TRP HB3 1 98 TRP HD1 0.000 . 3.720 3.818 3.762 3.858 0.138 2 0 "[ . 1 . 2]" 1
1000 1 98 TRP HB2 1 98 TRP HE3 0.000 . 4.040 4.103 4.037 4.160 0.120 6 0 "[ . 1 . 2]" 1
1001 1 98 TRP H 1 98 TRP HE3 0.000 . 3.740 2.944 2.462 3.346 . 0 0 "[ . 1 . 2]" 1
1002 1 98 TRP HB2 1 99 ASP H 0.000 . 3.820 2.641 2.389 2.958 . 0 0 "[ . 1 . 2]" 1
1003 1 98 TRP HD1 1 99 ASP H 0.000 . 4.350 3.237 2.734 3.851 . 0 0 "[ . 1 . 2]" 1
1004 1 98 TRP HB3 1 99 ASP H 0.000 . 3.710 3.974 3.819 4.138 0.428 1 0 "[ . 1 . 2]" 1
1005 1 98 TRP HA 1 99 ASP H 0.000 . 3.150 2.366 2.233 2.496 . 0 0 "[ . 1 . 2]" 1
1006 1 98 TRP HD1 1 100 THR HA 0.000 . 3.950 3.392 3.037 3.757 . 0 0 "[ . 1 . 2]" 1
1007 1 98 TRP HD1 1 100 THR H 0.000 . 4.810 4.356 3.719 5.107 0.297 6 0 "[ . 1 . 2]" 1
1008 1 99 ASP H 1 99 ASP QB 0.000 . 3.470 2.632 2.259 3.073 . 0 0 "[ . 1 . 2]" 1
1009 1 99 ASP HA 1 100 THR H 0.000 . 3.050 2.212 2.134 2.365 . 0 0 "[ . 1 . 2]" 1
1010 1 99 ASP QB 1 100 THR H 0.000 . 3.820 3.132 2.556 3.624 . 0 0 "[ . 1 . 2]" 1
1011 1 99 ASP QB 1 102 SER QB 0.000 . 4.120 6.842 4.257 8.839 4.719 4 19 "[***+**** ********-**]" 1
1012 1 100 THR HA 1 100 THR MG 0.000 . 3.360 2.202 2.046 2.415 . 0 0 "[ . 1 . 2]" 1
1013 1 100 THR HG1 1 100 THR MG 0.000 . 3.410 2.397 2.124 2.925 . 0 0 "[ . 1 . 2]" 1
1014 1 100 THR H 1 100 THR MG 0.000 . 3.690 3.012 2.675 3.433 . 0 0 "[ . 1 . 2]" 1
1015 1 100 THR H 1 100 THR HG1 0.000 . 4.420 3.142 2.449 3.449 . 0 0 "[ . 1 . 2]" 1
1016 1 100 THR H 1 100 THR HB 0.000 . 4.280 3.527 3.394 3.671 . 0 0 "[ . 1 . 2]" 1
1017 1 100 THR MG 1 101 GLU H 0.000 . 4.290 4.332 4.199 4.441 0.151 12 0 "[ . 1 . 2]" 1
1018 1 100 THR HA 1 101 GLU H 0.000 . 3.280 3.116 2.351 3.490 0.210 17 0 "[ . 1 . 2]" 1
1019 1 100 THR HB 1 101 GLU H 0.000 . 3.820 4.065 3.425 4.258 0.438 6 0 "[ . 1 . 2]" 1
1020 1 100 THR H 1 101 GLU H 0.000 . 4.430 2.675 2.127 3.764 . 0 0 "[ . 1 . 2]" 1
1021 1 101 GLU HA 1 101 GLU QG 0.000 . 3.770 2.620 2.031 3.350 . 0 0 "[ . 1 . 2]" 1
1022 1 101 GLU H 1 101 GLU QB 0.000 . 3.610 3.059 2.468 3.444 . 0 0 "[ . 1 . 2]" 1
1023 1 101 GLU QG 1 102 SER HA 0.000 . 4.000 5.578 3.545 6.176 2.176 16 18 "[ **** ********-+****]" 1
1024 1 101 GLU QG 1 102 SER H 0.000 . 3.950 3.890 2.715 4.497 0.547 14 1 "[ . 1 +. 2]" 1
1025 1 101 GLU QB 1 102 SER H 0.000 . 3.830 2.906 1.939 3.959 0.129 15 0 "[ . 1 . 2]" 1
1026 1 101 GLU HA 1 102 SER H 0.000 . 2.820 2.339 2.146 2.818 . 0 0 "[ . 1 . 2]" 1
1027 1 102 SER H 1 102 SER QB 0.000 . 3.340 2.643 2.225 3.205 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 44.834
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0249
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 ASN 0.134 0.042 9 0 "[ . 1 . 2]"
1 21 ARG 0.134 0.042 9 0 "[ . 1 . 2]"
1 36 PHE 0.024 0.017 7 0 "[ . 1 . 2]"
1 37 GLU 0.387 0.058 6 0 "[ . 1 . 2]"
1 38 ILE 0.057 0.029 19 0 "[ . 1 . 2]"
1 39 GLN 0.561 0.071 2 0 "[ . 1 . 2]"
1 41 ARG 0.249 0.049 15 0 "[ . 1 . 2]"
1 53 GLU 0.057 0.029 19 0 "[ . 1 . 2]"
1 55 LEU 0.024 0.017 7 0 "[ . 1 . 2]"
1 72 TYR 0.094 0.035 7 0 "[ . 1 . 2]"
1 73 TRP 0.249 0.049 15 0 "[ . 1 . 2]"
1 74 ALA 0.087 0.044 9 0 "[ . 1 . 2]"
1 75 ARG 0.561 0.071 2 0 "[ . 1 . 2]"
1 76 VAL 0.317 0.045 19 0 "[ . 1 . 2]"
1 77 ARG 0.387 0.058 6 0 "[ . 1 . 2]"
1 78 VAL 0.331 0.050 3 0 "[ . 1 . 2]"
1 90 SER 0.331 0.050 3 0 "[ . 1 . 2]"
1 93 SER 0.317 0.045 19 0 "[ . 1 . 2]"
1 96 ARG 0.087 0.044 9 0 "[ . 1 . 2]"
1 98 TRP 0.094 0.035 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ASN O 1 21 ARG H 0.000 . 2.200 1.973 1.557 2.242 0.042 9 0 "[ . 1 . 2]" 2
2 1 10 ASN O 1 21 ARG N 0.000 . 3.200 2.765 2.523 3.129 . 0 0 "[ . 1 . 2]" 2
3 1 36 PHE H 1 55 LEU O 0.000 . 2.200 1.998 1.688 2.217 0.017 7 0 "[ . 1 . 2]" 2
4 1 36 PHE N 1 55 LEU O 0.000 . 3.200 2.824 2.519 3.123 . 0 0 "[ . 1 . 2]" 2
5 1 37 GLU H 1 77 ARG O 0.000 . 2.200 2.025 1.697 2.258 0.058 6 0 "[ . 1 . 2]" 2
6 1 37 GLU N 1 77 ARG O 0.000 . 3.200 2.951 2.655 3.141 . 0 0 "[ . 1 . 2]" 2
7 1 38 ILE H 1 53 GLU O 0.000 . 2.200 1.862 1.664 2.229 0.029 19 0 "[ . 1 . 2]" 2
8 1 38 ILE N 1 53 GLU O 0.000 . 3.200 2.720 2.509 3.096 . 0 0 "[ . 1 . 2]" 2
9 1 39 GLN H 1 75 ARG O 0.000 . 2.200 2.209 2.056 2.271 0.071 2 0 "[ . 1 . 2]" 2
10 1 39 GLN N 1 75 ARG O 0.000 . 3.200 3.114 2.941 3.209 0.009 15 0 "[ . 1 . 2]" 2
11 1 41 ARG H 1 73 TRP O 0.000 . 2.200 1.719 1.554 1.994 . 0 0 "[ . 1 . 2]" 2
12 1 41 ARG N 1 73 TRP O 0.000 . 3.200 2.651 2.517 2.953 . 0 0 "[ . 1 . 2]" 2
13 1 72 TYR H 1 98 TRP O 0.000 . 2.200 2.055 1.861 2.204 0.004 4 0 "[ . 1 . 2]" 2
14 1 72 TYR N 1 98 TRP O 0.000 . 3.200 2.888 2.626 3.129 . 0 0 "[ . 1 . 2]" 2
15 1 41 ARG O 1 73 TRP H 0.000 . 2.200 2.094 1.739 2.249 0.049 15 0 "[ . 1 . 2]" 2
16 1 41 ARG O 1 73 TRP N 0.000 . 3.200 2.851 2.458 3.096 . 0 0 "[ . 1 . 2]" 2
17 1 74 ALA H 1 96 ARG O 0.000 . 2.200 2.123 1.934 2.244 0.044 9 0 "[ . 1 . 2]" 2
18 1 74 ALA N 1 96 ARG O 0.000 . 3.200 3.023 2.854 3.141 . 0 0 "[ . 1 . 2]" 2
19 1 39 GLN O 1 75 ARG H 0.000 . 2.200 2.013 1.750 2.219 0.019 6 0 "[ . 1 . 2]" 2
20 1 39 GLN O 1 75 ARG N 0.000 . 3.200 2.820 2.621 3.074 . 0 0 "[ . 1 . 2]" 2
21 1 76 VAL H 1 93 SER OG 0.000 . 2.200 1.938 1.680 2.183 . 0 0 "[ . 1 . 2]" 2
22 1 76 VAL N 1 93 SER OG 0.000 . 3.200 2.739 2.525 3.066 . 0 0 "[ . 1 . 2]" 2
23 1 37 GLU O 1 77 ARG H 0.000 . 2.200 2.171 1.836 2.247 0.047 11 0 "[ . 1 . 2]" 2
24 1 37 GLU O 1 77 ARG N 0.000 . 3.200 3.086 2.754 3.192 . 0 0 "[ . 1 . 2]" 2
25 1 78 VAL H 1 90 SER OG 0.000 . 2.200 2.183 1.926 2.250 0.050 3 0 "[ . 1 . 2]" 2
26 1 78 VAL N 1 90 SER OG 0.000 . 3.200 2.864 2.533 3.100 . 0 0 "[ . 1 . 2]" 2
27 1 76 VAL O 1 93 SER H 0.000 . 2.200 2.187 1.854 2.245 0.045 19 0 "[ . 1 . 2]" 2
28 1 76 VAL O 1 93 SER N 0.000 . 3.200 3.009 2.789 3.186 . 0 0 "[ . 1 . 2]" 2
29 1 72 TYR O 1 98 TRP H 0.000 . 2.200 2.126 1.882 2.235 0.035 7 0 "[ . 1 . 2]" 2
30 1 72 TYR O 1 98 TRP N 0.000 . 3.200 3.010 2.824 3.159 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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