NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369218 |
1b75   |
4395 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b75
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 1327
_Distance_constraint_stats_list.Viol_count 1459
_Distance_constraint_stats_list.Viol_total 5675.446
_Distance_constraint_stats_list.Viol_max 2.059
_Distance_constraint_stats_list.Viol_rms 0.1725
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0428
_Distance_constraint_stats_list.Viol_average_violations_only 0.3890
_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 7.237 0.950 7 3 "[ *. + -1]"
1 2 PHE 16.828 1.624 10 9 "[*** -****+]"
1 3 THR 8.126 0.750 10 10 [****-****+]
1 4 ILE 27.296 1.328 7 10 [*-****+***]
1 5 ASN 1.179 0.535 2 1 "[ + . 1]"
1 6 ALA 11.899 0.985 9 7 "[*****- +1]"
1 7 GLU 8.548 0.740 9 2 "[ - . +1]"
1 8 VAL 7.168 1.151 2 4 "[*+ -. *1]"
1 9 ARG 5.659 1.014 8 4 "[* -.* + 1]"
1 10 LYS 1.096 0.405 6 0 "[ . 1]"
1 11 GLU 0.405 0.405 6 0 "[ . 1]"
1 12 GLN 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 0.022 0.022 4 0 "[ . 1]"
1 17 SER 0.543 0.499 2 0 "[ . 1]"
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 ARG 0.000 0.000 . 0 "[ . 1]"
1 20 LEU 9.352 1.824 4 8 "[ *-+** ***]"
1 21 ARG 3.964 1.160 5 3 "[ - + * 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 ALA 12.392 1.160 5 7 "[* - +** **]"
1 24 ASN 10.494 1.824 4 8 "[ *-+** ***]"
1 25 LYS 20.990 1.114 1 8 "[+ **** ***]"
1 26 PHE 16.486 1.483 7 5 "[* * *-+ 1]"
1 27 PRO 12.328 1.014 8 6 "[* **.-*+ 1]"
1 28 ALA 6.217 0.785 6 5 "[* .+* *-]"
1 29 ILE 29.857 1.760 7 10 [*****-+***]
1 30 ILE 13.956 0.595 4 4 "[ *+. - *1]"
1 31 TYR 12.974 1.406 4 6 "[*- +* **1]"
1 32 GLY 0.606 0.357 6 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 LYS 0.151 0.151 4 0 "[ . 1]"
1 35 GLU 7.429 1.179 1 8 "[+** * ***-]"
1 36 ALA 7.746 1.179 1 8 "[+** * ***-]"
1 37 PRO 8.736 0.699 1 6 "[+ -** * *]"
1 38 LEU 14.624 1.148 1 9 "[+ -*******]"
1 39 ALA 8.529 1.148 1 2 "[+ .- 1]"
1 40 ILE 16.142 1.151 2 8 "[*+ *.****-]"
1 41 GLU 14.484 0.756 4 5 "[ -*+* *1]"
1 42 LEU 9.606 1.020 3 5 "[- + *** 1]"
1 43 ASP 11.928 0.985 9 8 "[****.- *+*]"
1 44 HIS 36.384 1.510 6 10 [****-+****]
1 45 ASP 19.569 1.510 6 10 [-****+****]
1 46 LYS 7.083 1.107 1 1 "[+ . 1]"
1 47 VAL 16.436 1.483 7 8 "[** **-+ **]"
1 48 MET 25.610 1.833 10 9 "[* -******+]"
1 49 ASN 4.436 0.856 10 2 "[- . +]"
1 50 MET 19.664 1.107 1 7 "[+** * * -*]"
1 51 GLN 10.468 1.463 10 4 "[ ** * +]"
1 52 ALA 12.334 1.304 5 7 "[****+ *-]"
1 53 LYS 26.165 1.886 6 9 [*****+***1]
1 54 ALA 9.330 0.837 10 4 "[ *-* +]"
1 55 GLU 13.524 0.837 2 6 "[ +* *-** 1]"
1 56 PHE 22.305 1.886 6 9 "[****-+* **]"
1 57 TYR 31.809 1.463 10 10 [*********+]
1 58 SER 16.799 1.096 1 10 [+****-****]
1 59 GLU 15.609 1.096 1 9 "[+****** *-]"
1 60 VAL 13.117 1.256 9 9 "[*****- *+*]"
1 61 LEU 27.528 2.059 1 10 [+*****-***]
1 62 THR 27.974 1.328 7 10 [******+-**]
1 63 ILE 12.209 1.249 9 9 "[ -******+*]"
1 64 VAL 20.238 1.435 9 10 [***-****+*]
1 65 VAL 12.874 1.130 2 7 "[ + ****-*1]"
1 66 ASP 17.049 1.435 9 10 [**-*****+*]
1 67 GLY 5.099 0.806 2 1 "[ + . 1]"
1 68 LYS 12.082 1.130 2 8 "[ +-******1]"
1 69 GLU 1.203 0.245 7 0 "[ . 1]"
1 70 ILE 15.258 0.909 7 9 [******+-*1]
1 71 LYS 9.402 1.775 7 2 "[ . + -1]"
1 72 VAL 31.774 1.762 9 10 [******-*+*]
1 73 LYS 12.474 1.166 3 6 "[ +-** * *]"
1 74 ALA 30.760 2.059 1 10 [+********-]
1 75 GLN 1.234 0.329 7 0 "[ . 1]"
1 76 ASP 14.824 1.525 4 10 [***+*-****]
1 77 VAL 22.511 1.728 1 9 "[+**** **-*]"
1 78 GLN 1.521 0.386 2 0 "[ . 1]"
1 79 ARG 14.116 1.361 7 8 "[* ****+* -]"
1 80 HIS 5.205 1.072 10 3 "[-* . +]"
1 81 PRO 0.000 0.000 . 0 "[ . 1]"
1 82 TYR 5.040 1.337 7 4 "[* - * + 1]"
1 83 LYS 6.255 1.337 7 5 "[* - * + *]"
1 84 PRO 2.339 0.642 6 1 "[ .+ 1]"
1 85 LYS 8.306 1.412 1 3 "[+ *. - 1]"
1 86 LEU 11.573 1.833 10 7 "[* -*. ***+]"
1 87 GLN 2.770 0.783 1 3 "[+ . * -1]"
1 88 HIS 25.800 1.760 7 10 [******+**-]
1 89 ILE 28.747 1.082 9 10 [******-*+*]
1 90 ASP 19.251 1.728 1 10 [+****-****]
1 91 PHE 25.879 1.762 9 10 [********+-]
1 92 VAL 10.188 1.406 4 6 "[** +* **1]"
1 93 ARG 14.109 0.909 7 5 "[** .-+ *1]"
1 94 ALA 11.415 1.166 3 6 "[ +*-* * *]"
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 1 MET ME . . 4.700 2.854 2.183 4.534 . 0 0 "[ . 1]" 1
2 1 1 MET QB 1 2 PHE QD . . 6.500 3.626 2.647 4.982 . 0 0 "[ . 1]" 1
3 1 1 MET QB 1 2 PHE QE . . 6.500 4.283 3.129 5.497 . 0 0 "[ . 1]" 1
4 1 1 MET QB 1 2 PHE HZ . . 6.380 5.524 4.520 7.071 0.691 7 1 "[ . + 1]" 1
5 1 1 MET QB 1 61 LEU HA . . 6.380 3.371 2.596 4.059 . 0 0 "[ . 1]" 1
6 1 1 MET ME 1 61 LEU HA . . 4.700 4.814 3.495 5.649 0.949 7 2 "[ . + -1]" 1
7 1 1 MET ME 1 62 THR HB . . 4.700 4.828 2.224 5.650 0.950 7 2 "[ -. + 1]" 1
8 1 1 MET ME 1 71 LYS QE . . 6.500 4.509 3.282 6.290 . 0 0 "[ . 1]" 1
9 1 2 PHE HA 1 3 THR H . . 2.700 2.318 2.162 2.726 0.026 4 0 "[ . 1]" 1
10 1 2 PHE HA 1 50 MET ME . . 4.700 4.375 3.505 5.139 0.439 3 0 "[ . 1]" 1
11 1 2 PHE QB 1 3 THR H . . 3.800 2.806 2.043 3.414 . 0 0 "[ . 1]" 1
12 1 2 PHE QB 1 50 MET HA . . 4.380 4.677 4.381 5.039 0.659 7 1 "[ . + 1]" 1
13 1 2 PHE QB 1 50 MET ME . . 4.700 3.502 2.374 4.319 . 0 0 "[ . 1]" 1
14 1 2 PHE QB 1 61 LEU HA . . 4.500 3.251 2.485 4.184 . 0 0 "[ . 1]" 1
15 1 2 PHE QB 1 61 LEU QD . . 5.220 3.330 2.085 4.173 . 0 0 "[ . 1]" 1
16 1 2 PHE QB 1 62 THR H . . 5.380 3.207 2.673 3.912 . 0 0 "[ . 1]" 1
17 1 2 PHE QD 1 3 THR H . . 5.520 4.162 3.834 4.601 . 0 0 "[ . 1]" 1
18 1 2 PHE QD 1 4 ILE MD . . 6.850 3.535 2.532 4.152 . 0 0 "[ . 1]" 1
19 1 2 PHE QD 1 50 MET HA . . 5.620 3.735 3.059 4.602 . 0 0 "[ . 1]" 1
20 1 2 PHE QD 1 50 MET QB . . 6.500 2.961 2.358 3.876 . 0 0 "[ . 1]" 1
21 1 2 PHE QD 1 50 MET ME . . 6.850 4.243 3.393 4.897 . 0 0 "[ . 1]" 1
22 1 2 PHE QD 1 50 MET QG . . 5.620 3.073 2.435 4.075 . 0 0 "[ . 1]" 1
23 1 2 PHE QD 1 56 PHE HA . . 5.620 3.948 3.355 4.354 . 0 0 "[ . 1]" 1
24 1 2 PHE QD 1 56 PHE QD . . 6.740 3.480 2.756 4.292 . 0 0 "[ . 1]" 1
25 1 2 PHE QD 1 61 LEU HB2 . . 5.620 3.638 2.476 5.019 . 0 0 "[ . 1]" 1
26 1 2 PHE QD 1 61 LEU HB3 . . 5.620 2.676 2.229 4.560 . 0 0 "[ . 1]" 1
27 1 2 PHE QD 1 61 LEU QD . . 5.890 2.996 2.218 3.771 . 0 0 "[ . 1]" 1
28 1 2 PHE QD 1 61 LEU HG . . 5.620 4.195 2.347 5.215 . 0 0 "[ . 1]" 1
29 1 2 PHE QE 1 4 ILE MD . . 6.850 5.150 4.441 5.638 . 0 0 "[ . 1]" 1
30 1 2 PHE QE 1 50 MET HA . . 5.620 3.872 2.736 5.009 . 0 0 "[ . 1]" 1
31 1 2 PHE QE 1 50 MET QB . . 6.500 4.079 3.571 5.082 . 0 0 "[ . 1]" 1
32 1 2 PHE QE 1 55 GLU QB . . 6.300 4.316 2.789 5.060 . 0 0 "[ . 1]" 1
33 1 2 PHE QE 1 55 GLU QG . . 4.770 4.001 2.960 5.439 0.669 3 1 "[ + . 1]" 1
34 1 2 PHE QE 1 56 PHE HA . . 5.620 2.801 2.153 3.258 . 0 0 "[ . 1]" 1
35 1 2 PHE QE 1 56 PHE HB2 . . 5.620 4.619 3.951 5.293 . 0 0 "[ . 1]" 1
36 1 2 PHE QE 1 56 PHE HB3 . . 5.620 5.416 4.895 5.969 0.349 10 0 "[ . 1]" 1
37 1 2 PHE QE 1 56 PHE QD . . 6.990 3.523 2.683 4.500 . 0 0 "[ . 1]" 1
38 1 2 PHE QE 1 61 LEU QD . . 6.420 3.667 2.643 4.504 . 0 0 "[ . 1]" 1
39 1 2 PHE QE 1 61 LEU HG . . 5.620 5.286 2.632 6.990 1.370 8 4 "[ * - + *]" 1
40 1 2 PHE HZ 1 55 GLU QB . . 4.500 3.831 2.296 4.598 0.098 1 0 "[ . 1]" 1
41 1 2 PHE HZ 1 55 GLU QG . . 4.500 3.256 2.278 4.745 0.245 3 0 "[ . 1]" 1
42 1 2 PHE HZ 1 56 PHE QB . . 4.380 4.968 3.788 6.004 1.624 10 5 "[* *- *+]" 1
43 1 3 THR H 1 3 THR HB . . 3.800 2.655 2.430 3.057 . 0 0 "[ . 1]" 1
44 1 3 THR H 1 4 ILE H . . 4.400 3.825 3.268 4.146 . 0 0 "[ . 1]" 1
45 1 3 THR H 1 4 ILE MD . . 4.000 3.366 2.556 3.851 . 0 0 "[ . 1]" 1
46 1 3 THR H 1 50 MET ME . . 4.000 3.249 2.333 3.973 . 0 0 "[ . 1]" 1
47 1 3 THR HA 1 4 ILE H . . 2.700 2.318 2.247 2.369 . 0 0 "[ . 1]" 1
48 1 3 THR HA 1 4 ILE HA . . 4.500 4.550 4.520 4.585 0.085 8 0 "[ . 1]" 1
49 1 3 THR HA 1 62 THR H . . 4.500 4.187 3.745 4.751 0.251 1 0 "[ . 1]" 1
50 1 3 THR HA 1 62 THR HB . . 3.800 3.290 2.688 3.909 0.109 1 0 "[ . 1]" 1
51 1 3 THR HA 1 62 THR MG . . 4.700 3.907 3.530 4.310 . 0 0 "[ . 1]" 1
52 1 3 THR HB 1 4 ILE H . . 4.500 4.545 4.530 4.572 0.072 3 0 "[ . 1]" 1
53 1 3 THR HB 1 4 ILE HA . . 4.500 5.098 5.029 5.250 0.750 10 10 [****-****+] 1
54 1 3 THR MG 1 4 ILE H . . 4.500 3.692 3.604 3.805 . 0 0 "[ . 1]" 1
55 1 3 THR MG 1 4 ILE HA . . 4.700 4.460 4.296 4.607 . 0 0 "[ . 1]" 1
56 1 3 THR MG 1 5 ASN HA . . 4.700 3.967 3.710 4.225 . 0 0 "[ . 1]" 1
57 1 3 THR MG 1 5 ASN QD . . 4.570 3.904 2.235 4.823 0.253 9 0 "[ . 1]" 1
58 1 3 THR MG 1 64 VAL H . . 4.700 4.131 3.909 4.318 . 0 0 "[ . 1]" 1
59 1 4 ILE H 1 4 ILE HB . . 3.800 2.431 2.281 2.688 . 0 0 "[ . 1]" 1
60 1 4 ILE H 1 4 ILE MD . . 4.700 2.246 2.003 2.961 . 0 0 "[ . 1]" 1
61 1 4 ILE H 1 4 ILE QG . . 4.380 3.297 2.170 3.585 . 0 0 "[ . 1]" 1
62 1 4 ILE H 1 62 THR H . . 4.400 3.795 3.420 4.279 . 0 0 "[ . 1]" 1
63 1 4 ILE H 1 62 THR HB . . 4.500 4.179 3.609 4.603 0.103 7 0 "[ . 1]" 1
64 1 4 ILE H 1 62 THR O . . 2.400 2.066 1.897 2.297 . 0 0 "[ . 1]" 1
65 1 4 ILE H 1 63 ILE HA . . 3.800 3.052 2.647 3.413 . 0 0 "[ . 1]" 1
66 1 4 ILE H 1 63 ILE QG . . 4.380 4.375 3.816 5.629 1.249 9 1 "[ . +1]" 1
67 1 4 ILE H 1 63 ILE MG . . 4.700 4.614 4.139 5.411 0.711 6 1 "[ .+ 1]" 1
68 1 4 ILE H 1 64 VAL H . . 4.400 3.712 3.505 3.987 . 0 0 "[ . 1]" 1
69 1 4 ILE H 1 64 VAL QG . . 5.260 3.769 3.519 4.158 . 0 0 "[ . 1]" 1
70 1 4 ILE HA 1 5 ASN H . . 2.700 2.187 2.138 2.278 . 0 0 "[ . 1]" 1
71 1 4 ILE HA 1 50 MET ME . . 4.700 3.119 2.227 4.020 . 0 0 "[ . 1]" 1
72 1 4 ILE HB 1 42 LEU QD . . 5.270 4.067 3.859 4.265 . 0 0 "[ . 1]" 1
73 1 4 ILE HB 1 62 THR HA . . 4.500 5.610 5.423 5.828 1.328 7 10 [******+**-] 1
74 1 4 ILE HB 1 63 ILE H . . 4.500 4.688 4.475 4.874 0.374 5 0 "[ . 1]" 1
75 1 4 ILE HB 1 63 ILE HA . . 4.500 2.289 2.130 2.449 . 0 0 "[ . 1]" 1
76 1 4 ILE HB 1 63 ILE MD . . 4.700 3.708 2.202 4.311 . 0 0 "[ . 1]" 1
77 1 4 ILE HB 1 63 ILE QG . . 4.680 2.682 2.202 4.213 . 0 0 "[ . 1]" 1
78 1 4 ILE HB 1 63 ILE MG . . 4.700 2.996 2.271 4.106 . 0 0 "[ . 1]" 1
79 1 4 ILE HB 1 64 VAL H . . 4.500 3.711 3.544 3.978 . 0 0 "[ . 1]" 1
80 1 4 ILE MD 1 50 MET ME . . 4.700 3.378 2.319 4.403 . 0 0 "[ . 1]" 1
81 1 4 ILE MD 1 56 PHE QD . . 6.850 4.064 3.737 4.460 . 0 0 "[ . 1]" 1
82 1 4 ILE MD 1 56 PHE QE . . 5.150 2.494 2.122 3.127 . 0 0 "[ . 1]" 1
83 1 4 ILE MD 1 61 LEU QB . . 5.580 2.578 2.155 3.073 . 0 0 "[ . 1]" 1
84 1 4 ILE MD 1 61 LEU QD . . 6.270 2.557 2.082 3.477 . 0 0 "[ . 1]" 1
85 1 4 ILE MD 1 63 ILE MD . . 4.700 4.329 2.807 5.213 0.513 2 1 "[ + . 1]" 1
86 1 4 ILE QG 1 5 ASN H . . 4.500 4.387 4.058 5.035 0.535 2 1 "[ + . 1]" 1
87 1 4 ILE QG 1 50 MET ME . . 4.700 3.706 2.383 5.042 0.342 2 0 "[ . 1]" 1
88 1 4 ILE QG 1 91 PHE QD . . 6.500 5.381 4.800 6.063 . 0 0 "[ . 1]" 1
89 1 4 ILE MG 1 5 ASN H . . 4.700 3.233 2.934 3.523 . 0 0 "[ . 1]" 1
90 1 4 ILE MG 1 5 ASN HA . . 4.700 4.252 4.055 4.582 . 0 0 "[ . 1]" 1
91 1 4 ILE MG 1 6 ALA MB . . 4.700 2.576 2.273 3.069 . 0 0 "[ . 1]" 1
92 1 4 ILE MG 1 42 LEU HA . . 4.700 4.265 3.469 5.117 0.417 6 0 "[ . 1]" 1
93 1 4 ILE MG 1 42 LEU HG . . 4.700 3.146 2.215 4.446 . 0 0 "[ . 1]" 1
94 1 4 ILE MG 1 50 MET ME . . 4.700 4.406 3.230 5.391 0.691 5 2 "[ + -1]" 1
95 1 4 ILE MG 1 63 ILE MD . . 4.700 3.284 2.041 3.728 . 0 0 "[ . 1]" 1
96 1 4 ILE MG 1 63 ILE MG . . 4.000 2.565 2.261 3.716 . 0 0 "[ . 1]" 1
97 1 4 ILE MG 1 64 VAL H . . 4.700 4.018 3.666 4.469 . 0 0 "[ . 1]" 1
98 1 4 ILE MG 1 91 PHE QD . . 6.850 5.173 4.743 5.566 . 0 0 "[ . 1]" 1
99 1 4 ILE MG 1 91 PHE QE . . 6.850 3.592 3.058 3.987 . 0 0 "[ . 1]" 1
100 1 4 ILE MG 1 91 PHE HZ . . 4.700 2.949 2.370 3.559 . 0 0 "[ . 1]" 1
101 1 4 ILE O 1 64 VAL H . . 2.400 1.949 1.898 2.032 . 0 0 "[ . 1]" 1
102 1 5 ASN H 1 5 ASN QB . . 3.910 2.321 2.209 2.412 . 0 0 "[ . 1]" 1
103 1 5 ASN HA 1 6 ALA H . . 2.700 2.237 2.186 2.385 . 0 0 "[ . 1]" 1
104 1 5 ASN HA 1 6 ALA MB . . 4.700 4.018 3.926 4.224 . 0 0 "[ . 1]" 1
105 1 5 ASN HA 1 63 ILE MG . . 5.300 4.695 4.285 5.283 . 0 0 "[ . 1]" 1
106 1 5 ASN HA 1 64 VAL H . . 4.500 3.545 3.181 3.935 . 0 0 "[ . 1]" 1
107 1 5 ASN HA 1 64 VAL HB . . 3.800 2.445 2.232 2.837 . 0 0 "[ . 1]" 1
108 1 5 ASN HA 1 64 VAL MG1 . . 4.700 3.735 3.541 4.045 . 0 0 "[ . 1]" 1
109 1 5 ASN HA 1 64 VAL MG2 . . 4.700 3.652 3.265 3.970 . 0 0 "[ . 1]" 1
110 1 5 ASN QB 1 64 VAL H . . 6.380 5.371 5.122 5.698 . 0 0 "[ . 1]" 1
111 1 5 ASN HB2 1 6 ALA H . . 4.500 4.330 4.068 4.560 0.060 7 0 "[ . 1]" 1
112 1 5 ASN HB3 1 6 ALA H . . 4.500 3.825 3.046 4.546 0.046 7 0 "[ . 1]" 1
113 1 5 ASN QD 1 64 VAL HB . . 6.370 3.899 2.796 5.762 . 0 0 "[ . 1]" 1
114 1 5 ASN QD 1 64 VAL QG . . 6.210 3.516 2.645 5.164 . 0 0 "[ . 1]" 1
115 1 5 ASN HD21 1 64 VAL MG1 . . 6.820 4.181 3.008 6.778 . 0 0 "[ . 1]" 1
116 1 5 ASN HD21 1 64 VAL MG2 . . 6.820 4.648 3.475 6.858 0.038 1 0 "[ . 1]" 1
117 1 5 ASN HD22 1 64 VAL MG1 . . 6.820 4.694 3.525 6.366 . 0 0 "[ . 1]" 1
118 1 5 ASN HD22 1 64 VAL MG2 . . 6.820 5.060 3.419 6.190 . 0 0 "[ . 1]" 1
119 1 6 ALA H 1 7 GLU H . . 4.400 4.402 4.344 4.565 0.165 3 0 "[ . 1]" 1
120 1 6 ALA H 1 42 LEU QD . . 6.270 4.917 4.309 5.275 . 0 0 "[ . 1]" 1
121 1 6 ALA H 1 63 ILE MG . . 4.700 3.830 3.007 4.354 . 0 0 "[ . 1]" 1
122 1 6 ALA H 1 64 VAL HB . . 4.500 3.120 2.743 3.533 . 0 0 "[ . 1]" 1
123 1 6 ALA H 1 64 VAL QG . . 5.500 3.621 3.388 4.009 . 0 0 "[ . 1]" 1
124 1 6 ALA H 1 65 VAL HA . . 4.500 3.984 3.462 4.757 0.257 10 0 "[ . 1]" 1
125 1 6 ALA HA 1 40 ILE HB . . 4.500 4.546 4.318 4.770 0.270 8 0 "[ . 1]" 1
126 1 6 ALA HA 1 41 GLU H . . 4.500 4.525 4.162 4.898 0.398 2 0 "[ . 1]" 1
127 1 6 ALA HA 1 42 LEU HA . . 4.500 3.581 3.126 4.033 . 0 0 "[ . 1]" 1
128 1 6 ALA HA 1 42 LEU QD . . 5.570 3.437 2.822 4.049 . 0 0 "[ . 1]" 1
129 1 6 ALA HA 1 43 ASP H . . 4.500 4.913 4.269 5.485 0.985 9 5 "[*** .- +1]" 1
130 1 6 ALA HA 1 63 ILE MG . . 4.700 4.484 4.279 5.177 0.477 6 0 "[ . 1]" 1
131 1 6 ALA MB 1 7 GLU H . . 4.000 2.281 2.106 2.476 . 0 0 "[ . 1]" 1
132 1 6 ALA MB 1 7 GLU HA . . 4.700 3.922 3.794 4.162 . 0 0 "[ . 1]" 1
133 1 6 ALA MB 1 40 ILE HA . . 4.700 4.591 4.489 4.669 . 0 0 "[ . 1]" 1
134 1 6 ALA MB 1 41 GLU HA . . 4.700 5.146 4.642 5.456 0.756 4 4 "[ -+* *1]" 1
135 1 6 ALA MB 1 42 LEU HA . . 4.700 3.883 3.569 4.095 . 0 0 "[ . 1]" 1
136 1 6 ALA MB 1 42 LEU QD . . 6.570 2.294 2.152 2.516 . 0 0 "[ . 1]" 1
137 1 6 ALA MB 1 63 ILE MD . . 6.700 3.784 2.676 4.050 . 0 0 "[ . 1]" 1
138 1 6 ALA MB 1 63 ILE MG . . 5.000 2.092 1.984 2.428 . 0 0 "[ . 1]" 1
139 1 6 ALA MB 1 64 VAL H . . 4.700 3.784 3.492 3.992 . 0 0 "[ . 1]" 1
140 1 6 ALA MB 1 65 VAL HA . . 4.700 2.770 2.384 3.393 . 0 0 "[ . 1]" 1
141 1 7 GLU H 1 7 GLU QB . . 3.910 2.713 2.532 2.854 . 0 0 "[ . 1]" 1
142 1 7 GLU H 1 8 VAL H . . 4.400 4.354 4.310 4.462 0.062 2 0 "[ . 1]" 1
143 1 7 GLU H 1 8 VAL QG . . 5.500 4.911 4.776 4.984 . 0 0 "[ . 1]" 1
144 1 7 GLU H 1 40 ILE HA . . 4.500 4.438 4.240 4.630 0.130 2 0 "[ . 1]" 1
145 1 7 GLU H 1 40 ILE MD . . 4.700 4.177 4.072 4.312 . 0 0 "[ . 1]" 1
146 1 7 GLU H 1 40 ILE QG . . 6.380 5.009 4.842 5.211 . 0 0 "[ . 1]" 1
147 1 7 GLU H 1 40 ILE MG . . 4.700 4.048 3.766 4.239 . 0 0 "[ . 1]" 1
148 1 7 GLU H 1 41 GLU H . . 2.400 2.741 2.448 2.937 0.537 2 1 "[ + . 1]" 1
149 1 7 GLU H 1 41 GLU QB . . 6.380 3.469 2.227 4.911 . 0 0 "[ . 1]" 1
150 1 7 GLU H 1 41 GLU QG . . 6.500 4.346 2.916 5.325 . 0 0 "[ . 1]" 1
151 1 7 GLU H 1 42 LEU QD . . 6.270 4.264 3.809 4.967 . 0 0 "[ . 1]" 1
152 1 7 GLU H 1 65 VAL QG . . 5.500 4.166 3.760 4.673 . 0 0 "[ . 1]" 1
153 1 7 GLU HA 1 8 VAL H . . 2.700 2.414 2.327 2.482 . 0 0 "[ . 1]" 1
154 1 7 GLU HA 1 8 VAL HA . . 4.500 4.404 4.297 4.503 0.003 8 0 "[ . 1]" 1
155 1 7 GLU HA 1 8 VAL QG . . 5.500 3.448 3.275 3.592 . 0 0 "[ . 1]" 1
156 1 7 GLU HA 1 41 GLU H . . 4.500 4.893 4.657 5.240 0.740 9 1 "[ . +1]" 1
157 1 7 GLU HA 1 65 VAL HA . . 4.500 3.460 2.838 3.947 . 0 0 "[ . 1]" 1
158 1 7 GLU HA 1 66 ASP HA . . 4.500 4.279 3.753 4.815 0.315 6 0 "[ . 1]" 1
159 1 7 GLU QB 1 66 ASP HA . . 6.380 5.247 4.910 6.093 . 0 0 "[ . 1]" 1
160 1 7 GLU HB2 1 8 VAL H . . 4.500 3.909 3.565 4.156 . 0 0 "[ . 1]" 1
161 1 7 GLU HB3 1 8 VAL H . . 4.500 3.232 2.318 3.858 . 0 0 "[ . 1]" 1
162 1 7 GLU QG 1 8 VAL H . . 6.500 2.781 2.014 4.400 . 0 0 "[ . 1]" 1
163 1 7 GLU QG 1 65 VAL HA . . 6.500 5.239 4.138 6.030 . 0 0 "[ . 1]" 1
164 1 7 GLU QG 1 65 VAL QG . . 7.060 4.850 4.303 5.958 . 0 0 "[ . 1]" 1
165 1 7 GLU O 1 41 GLU H . . 2.400 2.057 1.874 2.509 0.109 9 0 "[ . 1]" 1
166 1 8 VAL H 1 8 VAL HB . . 3.800 3.615 3.589 3.649 . 0 0 "[ . 1]" 1
167 1 8 VAL H 1 8 VAL QG . . 3.920 1.893 1.860 1.952 . 0 0 "[ . 1]" 1
168 1 8 VAL H 1 9 ARG H . . 4.400 4.249 3.472 4.714 0.314 8 0 "[ . 1]" 1
169 1 8 VAL H 1 41 GLU QG . . 6.500 5.636 4.741 6.579 0.079 9 0 "[ . 1]" 1
170 1 8 VAL H 1 65 VAL QG . . 5.500 3.902 3.157 5.356 . 0 0 "[ . 1]" 1
171 1 8 VAL HA 1 9 ARG H . . 2.700 2.397 2.259 2.627 . 0 0 "[ . 1]" 1
172 1 8 VAL HA 1 40 ILE HA . . 3.800 2.897 2.457 3.518 . 0 0 "[ . 1]" 1
173 1 8 VAL HA 1 40 ILE MG . . 4.700 2.440 2.224 2.706 . 0 0 "[ . 1]" 1
174 1 8 VAL HA 1 41 GLU H . . 4.500 4.168 3.832 4.552 0.052 9 0 "[ . 1]" 1
175 1 8 VAL HB 1 9 ARG H . . 4.500 3.462 2.643 4.439 . 0 0 "[ . 1]" 1
176 1 8 VAL HB 1 40 ILE HA . . 4.500 5.026 4.631 5.651 1.151 2 4 "[*+ -. *1]" 1
177 1 8 VAL HB 1 40 ILE MG . . 4.700 4.440 4.207 4.677 . 0 0 "[ . 1]" 1
178 1 8 VAL QG 1 9 ARG H . . 5.560 3.551 3.303 3.799 . 0 0 "[ . 1]" 1
179 1 8 VAL QG 1 10 LYS H . . 5.500 3.961 3.428 4.380 . 0 0 "[ . 1]" 1
180 1 8 VAL QG 1 40 ILE HA . . 5.500 4.366 4.022 4.821 . 0 0 "[ . 1]" 1
181 1 8 VAL QG 1 66 ASP H . . 5.500 4.746 4.332 4.989 . 0 0 "[ . 1]" 1
182 1 8 VAL QG 1 66 ASP QB . . 6.210 3.091 2.465 3.545 . 0 0 "[ . 1]" 1
183 1 8 VAL MG1 1 66 ASP QB . . 6.820 3.278 2.526 3.757 . 0 0 "[ . 1]" 1
184 1 8 VAL MG2 1 66 ASP QB . . 6.820 3.820 3.342 4.345 . 0 0 "[ . 1]" 1
185 1 9 ARG H 1 9 ARG HB2 . . 3.800 2.643 2.344 2.923 . 0 0 "[ . 1]" 1
186 1 9 ARG H 1 9 ARG HB3 . . 3.800 3.123 2.412 3.874 0.074 2 0 "[ . 1]" 1
187 1 9 ARG H 1 10 LYS H . . 4.400 3.691 2.849 4.426 0.026 8 0 "[ . 1]" 1
188 1 9 ARG H 1 39 ALA MB . . 6.200 4.482 3.582 5.534 . 0 0 "[ . 1]" 1
189 1 9 ARG H 1 40 ILE HA . . 3.800 2.544 2.144 2.967 . 0 0 "[ . 1]" 1
190 1 9 ARG H 1 40 ILE HB . . 5.600 4.559 3.690 5.327 . 0 0 "[ . 1]" 1
191 1 9 ARG H 1 40 ILE MG . . 4.700 3.570 3.181 3.999 . 0 0 "[ . 1]" 1
192 1 9 ARG H 1 41 GLU H . . 4.400 3.602 2.083 4.767 0.367 7 0 "[ . 1]" 1
193 1 9 ARG HA 1 9 ARG QD . . 4.500 3.334 2.152 4.118 . 0 0 "[ . 1]" 1
194 1 9 ARG HA 1 10 LYS H . . 2.700 2.370 2.179 2.662 . 0 0 "[ . 1]" 1
195 1 9 ARG HA 1 40 ILE HA . . 4.500 3.532 2.894 4.186 . 0 0 "[ . 1]" 1
196 1 9 ARG HA 1 41 GLU QG . . 6.500 2.370 2.028 3.243 . 0 0 "[ . 1]" 1
197 1 9 ARG QB 1 40 ILE H . . 6.380 3.900 3.199 4.930 . 0 0 "[ . 1]" 1
198 1 9 ARG QB 1 41 GLU H . . 6.380 4.183 3.733 5.349 . 0 0 "[ . 1]" 1
199 1 9 ARG HB2 1 40 ILE HA . . 4.500 2.972 2.577 4.384 . 0 0 "[ . 1]" 1
200 1 9 ARG HB3 1 40 ILE HA . . 4.500 4.341 3.854 5.245 0.745 6 1 "[ .+ 1]" 1
201 1 9 ARG QD 1 20 LEU QD . . 5.920 3.703 3.225 4.562 . 0 0 "[ . 1]" 1
202 1 9 ARG QD 1 27 PRO HA . . 4.500 4.101 2.697 5.514 1.014 8 3 "[* -. + 1]" 1
203 1 9 ARG QD 1 41 GLU HA . . 6.380 4.481 3.420 6.092 . 0 0 "[ . 1]" 1
204 1 9 ARG QD 1 41 GLU QG . . 6.500 3.622 2.459 5.497 . 0 0 "[ . 1]" 1
205 1 9 ARG QG 1 10 LYS H . . 6.380 3.960 3.049 4.806 . 0 0 "[ . 1]" 1
206 1 9 ARG QG 1 11 GLU H . . 6.380 4.812 4.000 5.773 . 0 0 "[ . 1]" 1
207 1 9 ARG QG 1 41 GLU H . . 6.380 4.519 3.271 5.696 . 0 0 "[ . 1]" 1
208 1 10 LYS H 1 41 GLU QB . . 4.500 3.940 2.421 4.854 0.354 7 0 "[ . 1]" 1
209 1 10 LYS H 1 41 GLU QG . . 6.500 3.062 1.977 4.133 . 0 0 "[ . 1]" 1
210 1 10 LYS QB 1 11 GLU QG . . 6.500 5.372 4.761 6.167 . 0 0 "[ . 1]" 1
211 1 10 LYS QE 1 11 GLU QG . . 6.500 6.010 5.508 6.905 0.405 6 0 "[ . 1]" 1
212 1 10 LYS QG 1 11 GLU H . . 6.500 3.719 2.498 4.518 . 0 0 "[ . 1]" 1
213 1 11 GLU QB 1 25 LYS QB . . 6.250 5.381 4.656 5.935 . 0 0 "[ . 1]" 1
214 1 11 GLU QG 1 16 ALA MB . . 6.500 4.471 2.137 5.386 . 0 0 "[ . 1]" 1
215 1 12 GLN H 1 12 GLN QB . . 3.910 2.750 2.249 3.242 . 0 0 "[ . 1]" 1
216 1 15 GLY QA 1 16 ALA MB . . 6.580 3.849 3.610 4.226 . 0 0 "[ . 1]" 1
217 1 16 ALA MB 1 17 SER HA . . 4.700 4.359 3.912 4.722 0.022 4 0 "[ . 1]" 1
218 1 17 SER HA 1 18 ARG QB . . 6.380 4.796 4.051 5.414 . 0 0 "[ . 1]" 1
219 1 17 SER HA 1 20 LEU QB . . 4.500 3.976 2.548 4.999 0.499 2 0 "[ . 1]" 1
220 1 17 SER HA 1 20 LEU QD . . 4.700 2.797 2.193 3.930 . 0 0 "[ . 1]" 1
221 1 17 SER QB 1 18 ARG HA . . 6.380 4.415 3.882 4.887 . 0 0 "[ . 1]" 1
222 1 17 SER QB 1 20 LEU QD . . 6.150 3.541 2.196 4.770 . 0 0 "[ . 1]" 1
223 1 19 ARG QG 1 20 LEU H . . 4.680 3.948 3.328 4.394 . 0 0 "[ . 1]" 1
224 1 20 LEU H 1 20 LEU HG . . 4.500 2.923 1.975 4.534 0.034 3 0 "[ . 1]" 1
225 1 20 LEU HA 1 24 ASN HA . . 4.500 5.334 4.500 6.324 1.824 4 8 "[ *-+** ***]" 1
226 1 20 LEU QB 1 21 ARG H . . 6.380 3.018 1.965 3.782 . 0 0 "[ . 1]" 1
227 1 20 LEU QB 1 25 LYS H . . 6.380 5.069 3.262 6.657 0.277 3 0 "[ . 1]" 1
228 1 20 LEU QB 1 26 PHE HA . . 6.380 3.997 3.005 5.226 . 0 0 "[ . 1]" 1
229 1 20 LEU QD 1 21 ARG H . . 6.270 3.286 2.649 4.155 . 0 0 "[ . 1]" 1
230 1 20 LEU QD 1 21 ARG QD . . 7.070 4.368 3.364 5.643 . 0 0 "[ . 1]" 1
231 1 20 LEU QD 1 25 LYS H . . 6.270 4.726 3.753 5.632 . 0 0 "[ . 1]" 1
232 1 20 LEU QD 1 25 LYS HA . . 6.270 4.645 4.119 5.339 . 0 0 "[ . 1]" 1
233 1 20 LEU QD 1 26 PHE H . . 6.270 3.876 3.308 4.836 . 0 0 "[ . 1]" 1
234 1 20 LEU QD 1 26 PHE HA . . 4.700 2.595 2.172 3.624 . 0 0 "[ . 1]" 1
235 1 20 LEU QD 1 26 PHE QD . . 6.420 4.981 4.615 5.610 . 0 0 "[ . 1]" 1
236 1 20 LEU QD 1 27 PRO HA . . 4.700 4.020 3.709 4.224 . 0 0 "[ . 1]" 1
237 1 20 LEU QD 1 27 PRO QB . . 6.150 3.234 3.054 3.452 . 0 0 "[ . 1]" 1
238 1 20 LEU QD 1 27 PRO HD2 . . 6.450 3.481 3.146 4.041 . 0 0 "[ . 1]" 1
239 1 20 LEU QD 1 27 PRO QD . . 6.390 2.217 2.102 2.704 . 0 0 "[ . 1]" 1
240 1 20 LEU QD 1 27 PRO HD3 . . 6.450 2.243 2.135 2.747 . 0 0 "[ . 1]" 1
241 1 20 LEU QD 1 41 GLU HA . . 6.270 4.484 4.004 4.892 . 0 0 "[ . 1]" 1
242 1 20 LEU HG 1 21 ARG QD . . 6.500 5.313 4.503 6.175 . 0 0 "[ . 1]" 1
243 1 21 ARG H 1 21 ARG QB . . 3.700 2.392 2.186 2.777 . 0 0 "[ . 1]" 1
244 1 21 ARG HA 1 23 ALA H . . 4.500 4.896 4.538 5.660 1.160 5 3 "[ - + * 1]" 1
245 1 22 ALA H 1 22 ALA MB . . 3.400 2.639 2.195 2.922 . 0 0 "[ . 1]" 1
246 1 23 ALA H 1 23 ALA MB . . 3.400 2.543 2.200 3.005 . 0 0 "[ . 1]" 1
247 1 23 ALA HA 1 24 ASN HA . . 4.500 4.566 4.294 4.843 0.343 2 0 "[ . 1]" 1
248 1 23 ALA HA 1 25 LYS H . . 4.500 5.117 4.746 5.614 1.114 1 5 "[+ ** *-]" 1
249 1 23 ALA MB 1 24 ASN H . . 4.000 2.371 1.901 3.682 . 0 0 "[ . 1]" 1
250 1 23 ALA MB 1 24 ASN HA . . 4.700 4.066 3.695 4.497 . 0 0 "[ . 1]" 1
251 1 23 ALA MB 1 24 ASN QB . . 6.580 3.888 3.269 4.280 . 0 0 "[ . 1]" 1
252 1 23 ALA MB 1 25 LYS H . . 4.700 4.404 3.677 4.994 0.294 9 0 "[ . 1]" 1
253 1 24 ASN H 1 25 LYS H . . 4.400 3.835 2.927 4.381 . 0 0 "[ . 1]" 1
254 1 24 ASN HA 1 25 LYS H . . 2.700 2.296 2.166 2.482 . 0 0 "[ . 1]" 1
255 1 24 ASN HB2 1 24 ASN HD22 . . 3.800 3.719 3.569 3.935 0.135 6 0 "[ . 1]" 1
256 1 24 ASN HB2 1 25 LYS H . . 4.500 4.551 4.446 4.660 0.160 1 0 "[ . 1]" 1
257 1 24 ASN HB3 1 24 ASN HD22 . . 3.800 3.627 3.523 3.764 . 0 0 "[ . 1]" 1
258 1 24 ASN HB3 1 25 LYS H . . 4.500 4.328 3.813 4.532 0.032 7 0 "[ . 1]" 1
259 1 25 LYS H 1 25 LYS QB . . 3.910 3.054 2.536 3.521 . 0 0 "[ . 1]" 1
260 1 25 LYS H 1 26 PHE H . . 4.400 4.105 3.002 4.447 0.047 4 0 "[ . 1]" 1
261 1 25 LYS H 1 26 PHE QB . . 4.500 4.559 4.206 4.829 0.329 2 0 "[ . 1]" 1
262 1 25 LYS H 1 44 HIS QB . . 6.380 3.139 2.115 4.029 . 0 0 "[ . 1]" 1
263 1 25 LYS HA 1 25 LYS HD2 . . 4.500 4.435 3.254 4.942 0.442 10 0 "[ . 1]" 1
264 1 25 LYS HA 1 25 LYS HD3 . . 4.500 4.298 2.273 4.886 0.386 7 0 "[ . 1]" 1
265 1 25 LYS HA 1 26 PHE H . . 2.700 2.406 2.335 2.471 . 0 0 "[ . 1]" 1
266 1 25 LYS HA 1 26 PHE QD . . 5.620 3.284 2.955 3.869 . 0 0 "[ . 1]" 1
267 1 25 LYS HA 1 42 LEU H . . 4.500 4.864 4.554 5.169 0.669 5 3 "[- +* 1]" 1
268 1 25 LYS HA 1 43 ASP HA . . 3.800 2.608 2.224 3.629 . 0 0 "[ . 1]" 1
269 1 25 LYS HA 1 44 HIS H . . 3.800 2.669 2.297 3.969 0.169 3 0 "[ . 1]" 1
270 1 25 LYS HA 1 44 HIS QB . . 6.380 2.972 2.222 3.296 . 0 0 "[ . 1]" 1
271 1 25 LYS QB 1 26 PHE H . . 6.380 2.925 2.301 4.073 . 0 0 "[ . 1]" 1
272 1 25 LYS QB 1 42 LEU H . . 6.380 4.262 3.368 5.267 . 0 0 "[ . 1]" 1
273 1 25 LYS QB 1 44 HIS H . . 6.380 4.363 3.689 5.335 . 0 0 "[ . 1]" 1
274 1 25 LYS HD2 1 43 ASP HA . . 4.500 4.515 3.425 5.359 0.859 8 2 "[ -. + 1]" 1
275 1 25 LYS HD3 1 43 ASP HA . . 4.500 4.220 2.143 5.413 0.913 3 2 "[ + . -]" 1
276 1 25 LYS QE 1 43 ASP H . . 6.500 5.150 3.046 6.222 . 0 0 "[ . 1]" 1
277 1 25 LYS QG 1 26 PHE H . . 4.500 3.708 2.081 4.528 0.028 3 0 "[ . 1]" 1
278 1 25 LYS QG 1 43 ASP QB . . 6.250 3.711 2.969 5.372 . 0 0 "[ . 1]" 1
279 1 25 LYS QG 1 44 HIS H . . 4.500 3.493 2.542 4.129 . 0 0 "[ . 1]" 1
280 1 26 PHE H 1 27 PRO HD2 . . 4.500 4.934 4.874 5.013 0.513 6 1 "[ .+ 1]" 1
281 1 26 PHE H 1 27 PRO HD3 . . 4.500 4.787 4.653 5.045 0.545 3 2 "[ + . - 1]" 1
282 1 26 PHE H 1 42 LEU H . . 4.400 3.493 2.983 4.628 0.228 7 0 "[ . 1]" 1
283 1 26 PHE H 1 42 LEU QB . . 6.380 4.394 3.521 5.374 . 0 0 "[ . 1]" 1
284 1 26 PHE H 1 42 LEU O . . 2.400 2.381 1.915 3.420 1.020 3 2 "[ + . - 1]" 1
285 1 26 PHE H 1 43 ASP HA . . 4.500 4.027 3.609 4.665 0.165 3 0 "[ . 1]" 1
286 1 26 PHE HA 1 27 PRO HD2 . . 3.800 2.554 2.435 2.710 . 0 0 "[ . 1]" 1
287 1 26 PHE HA 1 27 PRO HD3 . . 3.800 2.347 2.309 2.399 . 0 0 "[ . 1]" 1
288 1 26 PHE HA 1 27 PRO QG . . 5.710 4.125 4.073 4.171 . 0 0 "[ . 1]" 1
289 1 26 PHE QB 1 44 HIS HA . . 6.380 5.539 5.055 6.165 . 0 0 "[ . 1]" 1
290 1 26 PHE QB 1 44 HIS HD2 . . 6.380 3.526 2.714 4.452 . 0 0 "[ . 1]" 1
291 1 26 PHE HB2 1 27 PRO HD2 . . 4.500 2.294 2.170 2.433 . 0 0 "[ . 1]" 1
292 1 26 PHE HB2 1 27 PRO HD3 . . 4.500 3.556 3.319 3.748 . 0 0 "[ . 1]" 1
293 1 26 PHE HB3 1 27 PRO HD2 . . 4.500 3.776 3.674 3.853 . 0 0 "[ . 1]" 1
294 1 26 PHE HB3 1 27 PRO HD3 . . 4.500 4.554 4.435 4.688 0.188 1 0 "[ . 1]" 1
295 1 26 PHE QD 1 27 PRO HD2 . . 5.620 3.316 2.887 3.562 . 0 0 "[ . 1]" 1
296 1 26 PHE QD 1 27 PRO QD . . 6.770 3.248 2.850 3.467 . 0 0 "[ . 1]" 1
297 1 26 PHE QD 1 27 PRO HD3 . . 5.620 4.658 4.389 4.813 . 0 0 "[ . 1]" 1
298 1 26 PHE QD 1 27 PRO HG2 . . 5.620 4.147 3.841 4.321 . 0 0 "[ . 1]" 1
299 1 26 PHE QD 1 27 PRO HG3 . . 5.620 5.460 5.131 5.619 . 0 0 "[ . 1]" 1
300 1 26 PHE QD 1 28 ALA MB . . 6.850 3.886 3.494 4.169 . 0 0 "[ . 1]" 1
301 1 26 PHE QD 1 42 LEU QB . . 6.500 4.198 3.546 5.411 . 0 0 "[ . 1]" 1
302 1 26 PHE QD 1 44 HIS H . . 6.520 3.999 3.254 5.252 . 0 0 "[ . 1]" 1
303 1 26 PHE QD 1 44 HIS HA . . 5.620 3.514 2.989 4.004 . 0 0 "[ . 1]" 1
304 1 26 PHE QD 1 44 HIS QB . . 6.500 2.347 2.117 2.586 . 0 0 "[ . 1]" 1
305 1 26 PHE QD 1 44 HIS HD2 . . 5.620 3.154 2.285 4.055 . 0 0 "[ . 1]" 1
306 1 26 PHE QD 1 47 VAL MG1 . . 6.850 4.762 3.738 5.812 . 0 0 "[ . 1]" 1
307 1 26 PHE QD 1 47 VAL MG2 . . 6.850 5.122 3.999 5.907 . 0 0 "[ . 1]" 1
308 1 26 PHE QD 1 86 LEU QD . . 6.420 3.807 3.247 4.251 . 0 0 "[ . 1]" 1
309 1 26 PHE QD 1 87 GLN QB . . 6.500 5.339 5.098 5.569 . 0 0 "[ . 1]" 1
310 1 26 PHE QD 1 88 HIS HA . . 5.620 2.631 2.215 2.984 . 0 0 "[ . 1]" 1
311 1 26 PHE QD 1 89 ILE H . . 6.520 4.323 3.939 4.707 . 0 0 "[ . 1]" 1
312 1 26 PHE QD 1 89 ILE QG . . 6.500 4.742 4.250 6.103 . 0 0 "[ . 1]" 1
313 1 26 PHE QE 1 28 ALA HA . . 5.620 4.056 3.796 4.499 . 0 0 "[ . 1]" 1
314 1 26 PHE QE 1 42 LEU HB2 . . 5.620 3.891 3.068 4.850 . 0 0 "[ . 1]" 1
315 1 26 PHE QE 1 42 LEU HB3 . . 5.620 3.857 2.312 6.080 0.460 6 0 "[ . 1]" 1
316 1 26 PHE QE 1 44 HIS H . . 6.520 4.562 4.088 5.091 . 0 0 "[ . 1]" 1
317 1 26 PHE QE 1 44 HIS HA . . 5.920 2.885 2.329 3.659 . 0 0 "[ . 1]" 1
318 1 26 PHE QE 1 44 HIS HD2 . . 5.620 4.223 3.408 5.181 . 0 0 "[ . 1]" 1
319 1 26 PHE QE 1 47 VAL HB . . 5.620 4.391 2.925 5.440 . 0 0 "[ . 1]" 1
320 1 26 PHE QE 1 47 VAL MG1 . . 6.850 3.028 2.172 4.516 . 0 0 "[ . 1]" 1
321 1 26 PHE QE 1 47 VAL MG2 . . 6.850 3.388 2.567 4.135 . 0 0 "[ . 1]" 1
322 1 26 PHE QE 1 86 LEU MD1 . . 6.850 3.072 2.307 4.710 . 0 0 "[ . 1]" 1
323 1 26 PHE QE 1 86 LEU MD2 . . 6.850 3.269 2.494 4.222 . 0 0 "[ . 1]" 1
324 1 26 PHE QE 1 87 GLN QB . . 6.500 5.776 5.327 6.055 . 0 0 "[ . 1]" 1
325 1 26 PHE QE 1 88 HIS HA . . 5.620 2.582 2.350 2.990 . 0 0 "[ . 1]" 1
326 1 26 PHE QE 1 89 ILE HA . . 5.620 4.813 4.555 5.266 . 0 0 "[ . 1]" 1
327 1 26 PHE QE 1 89 ILE MD . . 6.850 3.471 2.150 4.178 . 0 0 "[ . 1]" 1
328 1 26 PHE QE 1 89 ILE QG . . 6.500 2.721 2.214 4.221 . 0 0 "[ . 1]" 1
329 1 26 PHE QE 1 89 ILE MG . . 6.850 4.731 4.196 5.432 . 0 0 "[ . 1]" 1
330 1 26 PHE HZ 1 42 LEU QB . . 6.380 3.654 2.511 5.668 . 0 0 "[ . 1]" 1
331 1 26 PHE HZ 1 47 VAL HB . . 4.500 4.721 3.668 5.983 1.483 7 4 "[* *-+ 1]" 1
332 1 26 PHE HZ 1 47 VAL MG1 . . 4.700 3.292 2.448 4.989 0.289 1 0 "[ . 1]" 1
333 1 26 PHE HZ 1 47 VAL QG . . 4.670 2.815 2.361 3.454 . 0 0 "[ . 1]" 1
334 1 26 PHE HZ 1 47 VAL MG2 . . 4.700 3.385 2.655 3.857 . 0 0 "[ . 1]" 1
335 1 26 PHE HZ 1 86 LEU QD . . 6.270 2.514 2.203 3.231 . 0 0 "[ . 1]" 1
336 1 26 PHE HZ 1 89 ILE MD . . 4.700 3.268 2.273 4.090 . 0 0 "[ . 1]" 1
337 1 26 PHE HZ 1 89 ILE QG . . 6.380 2.942 2.164 4.429 . 0 0 "[ . 1]" 1
338 1 27 PRO HA 1 28 ALA H . . 2.700 2.282 2.239 2.327 . 0 0 "[ . 1]" 1
339 1 27 PRO HA 1 28 ALA MB . . 4.700 4.001 3.875 4.090 . 0 0 "[ . 1]" 1
340 1 27 PRO HA 1 41 GLU QG . . 6.500 4.472 3.775 5.248 . 0 0 "[ . 1]" 1
341 1 27 PRO HA 1 42 LEU H . . 4.500 3.504 3.030 3.965 . 0 0 "[ . 1]" 1
342 1 27 PRO QB 1 28 ALA H . . 4.210 2.951 2.773 3.154 . 0 0 "[ . 1]" 1
343 1 27 PRO QB 1 88 HIS HD2 . . 4.500 4.067 3.423 4.561 0.061 1 0 "[ . 1]" 1
344 1 27 PRO QG 1 88 HIS HD2 . . 4.650 2.935 2.591 3.411 . 0 0 "[ . 1]" 1
345 1 27 PRO HG2 1 88 HIS HD2 . . 4.500 2.966 2.614 3.457 . 0 0 "[ . 1]" 1
346 1 27 PRO HG3 1 88 HIS HD2 . . 4.500 4.666 4.225 5.218 0.718 4 2 "[- +. 1]" 1
347 1 28 ALA H 1 29 ILE QG . . 6.380 4.135 3.926 4.273 . 0 0 "[ . 1]" 1
348 1 28 ALA H 1 39 ALA MB . . 4.700 4.305 3.998 5.079 0.379 6 0 "[ . 1]" 1
349 1 28 ALA H 1 40 ILE H . . 4.400 2.967 2.813 3.461 . 0 0 "[ . 1]" 1
350 1 28 ALA H 1 40 ILE HB . . 4.500 5.054 4.911 5.285 0.785 6 5 "[* .+* *-]" 1
351 1 28 ALA H 1 40 ILE MD . . 4.700 4.138 2.599 4.815 0.115 7 0 "[ . 1]" 1
352 1 28 ALA H 1 40 ILE QG . . 4.500 3.202 2.783 4.235 . 0 0 "[ . 1]" 1
353 1 28 ALA H 1 41 GLU HA . . 4.500 3.641 2.992 3.908 . 0 0 "[ . 1]" 1
354 1 28 ALA HA 1 29 ILE H . . 2.700 2.453 2.393 2.484 . 0 0 "[ . 1]" 1
355 1 28 ALA HA 1 88 HIS HD2 . . 4.500 3.282 2.941 3.625 . 0 0 "[ . 1]" 1
356 1 28 ALA HA 1 88 HIS HE1 . . 4.500 3.983 3.577 4.428 . 0 0 "[ . 1]" 1
357 1 28 ALA HA 1 89 ILE H . . 3.800 2.708 2.470 2.990 . 0 0 "[ . 1]" 1
358 1 28 ALA MB 1 29 ILE H . . 3.400 2.398 2.307 2.513 . 0 0 "[ . 1]" 1
359 1 28 ALA MB 1 40 ILE H . . 4.700 4.058 3.906 4.430 . 0 0 "[ . 1]" 1
360 1 28 ALA MB 1 40 ILE QG . . 6.580 2.617 2.219 3.741 . 0 0 "[ . 1]" 1
361 1 28 ALA MB 1 63 ILE MD . . 6.700 4.352 4.082 4.723 . 0 0 "[ . 1]" 1
362 1 28 ALA MB 1 89 ILE H . . 4.000 2.834 2.572 3.213 . 0 0 "[ . 1]" 1
363 1 28 ALA MB 1 89 ILE MG . . 6.700 3.305 2.620 3.794 . 0 0 "[ . 1]" 1
364 1 28 ALA MB 1 90 ASP HA . . 6.100 4.633 4.457 4.811 . 0 0 "[ . 1]" 1
365 1 28 ALA MB 1 91 PHE QD . . 6.150 3.132 2.880 3.654 . 0 0 "[ . 1]" 1
366 1 28 ALA O 1 40 ILE H . . 2.400 1.923 1.890 1.973 . 0 0 "[ . 1]" 1
367 1 29 ILE H 1 29 ILE HB . . 3.800 2.607 2.561 2.646 . 0 0 "[ . 1]" 1
368 1 29 ILE H 1 29 ILE MD . . 4.700 4.168 4.103 4.282 . 0 0 "[ . 1]" 1
369 1 29 ILE H 1 29 ILE HG12 . . 4.500 4.144 4.079 4.219 . 0 0 "[ . 1]" 1
370 1 29 ILE H 1 29 ILE HG13 . . 4.500 3.090 2.988 3.216 . 0 0 "[ . 1]" 1
371 1 29 ILE H 1 30 ILE H . . 4.400 4.422 4.389 4.451 0.051 3 0 "[ . 1]" 1
372 1 29 ILE H 1 30 ILE QG . . 6.380 4.616 4.465 4.836 . 0 0 "[ . 1]" 1
373 1 29 ILE H 1 40 ILE MD . . 4.700 4.509 4.060 4.890 0.190 2 0 "[ . 1]" 1
374 1 29 ILE H 1 40 ILE QG . . 6.380 4.228 3.832 4.690 . 0 0 "[ . 1]" 1
375 1 29 ILE H 1 42 LEU QD . . 4.700 4.746 4.470 5.252 0.552 6 1 "[ .+ 1]" 1
376 1 29 ILE H 1 88 HIS HE1 . . 4.500 3.280 2.962 3.666 . 0 0 "[ . 1]" 1
377 1 29 ILE H 1 89 ILE H . . 4.400 3.622 3.387 3.916 . 0 0 "[ . 1]" 1
378 1 29 ILE H 1 89 ILE MG . . 4.700 4.264 3.752 4.569 . 0 0 "[ . 1]" 1
379 1 29 ILE H 1 90 ASP HA . . 3.800 3.278 3.103 3.455 . 0 0 "[ . 1]" 1
380 1 29 ILE H 1 90 ASP QB . . 6.380 5.132 4.778 5.351 . 0 0 "[ . 1]" 1
381 1 29 ILE H 1 91 PHE H . . 4.400 3.671 3.412 4.125 . 0 0 "[ . 1]" 1
382 1 29 ILE HA 1 30 ILE H . . 2.700 2.191 2.155 2.227 . 0 0 "[ . 1]" 1
383 1 29 ILE HA 1 39 ALA HA . . 3.800 2.386 2.271 2.591 . 0 0 "[ . 1]" 1
384 1 29 ILE HA 1 39 ALA MB . . 4.700 3.866 3.704 4.175 . 0 0 "[ . 1]" 1
385 1 29 ILE HA 1 40 ILE H . . 4.500 3.367 2.865 3.605 . 0 0 "[ . 1]" 1
386 1 29 ILE HA 1 40 ILE QG . . 6.380 3.193 3.019 3.361 . 0 0 "[ . 1]" 1
387 1 29 ILE HB 1 30 ILE H . . 4.500 4.086 4.008 4.148 . 0 0 "[ . 1]" 1
388 1 29 ILE HB 1 31 TYR QD . . 6.640 4.013 3.807 4.275 . 0 0 "[ . 1]" 1
389 1 29 ILE HB 1 31 TYR QE . . 6.630 2.784 2.494 3.190 . 0 0 "[ . 1]" 1
390 1 29 ILE HB 1 88 HIS HD2 . . 4.500 5.684 5.296 6.260 1.760 7 10 [***-**+***] 1
391 1 29 ILE HB 1 88 HIS HE1 . . 4.500 2.280 2.228 2.385 . 0 0 "[ . 1]" 1
392 1 29 ILE HB 1 90 ASP HA . . 4.500 3.101 2.717 3.357 . 0 0 "[ . 1]" 1
393 1 29 ILE HB 1 91 PHE H . . 4.500 4.419 4.142 4.640 0.140 6 0 "[ . 1]" 1
394 1 29 ILE MD 1 30 ILE H . . 4.700 4.890 4.797 4.995 0.295 1 0 "[ . 1]" 1
395 1 29 ILE MD 1 31 TYR QE . . 6.860 3.477 3.257 3.707 . 0 0 "[ . 1]" 1
396 1 29 ILE MD 1 37 PRO HB2 . . 4.700 3.804 3.274 4.342 . 0 0 "[ . 1]" 1
397 1 29 ILE MD 1 37 PRO HB3 . . 4.700 5.123 4.758 5.399 0.699 1 3 "[+ . - *]" 1
398 1 29 ILE MD 1 39 ALA HA . . 4.700 4.147 3.980 4.315 . 0 0 "[ . 1]" 1
399 1 29 ILE MD 1 39 ALA MB . . 6.700 3.448 3.216 3.893 . 0 0 "[ . 1]" 1
400 1 29 ILE MD 1 88 HIS HD2 . . 4.700 4.456 4.179 5.053 0.353 7 0 "[ . 1]" 1
401 1 29 ILE MD 1 88 HIS HE1 . . 4.000 2.554 2.387 2.817 . 0 0 "[ . 1]" 1
402 1 29 ILE MD 1 90 ASP HA . . 6.000 4.783 4.389 4.975 . 0 0 "[ . 1]" 1
403 1 29 ILE QG 1 30 ILE H . . 6.380 3.932 3.839 4.046 . 0 0 "[ . 1]" 1
404 1 29 ILE QG 1 31 TYR QD . . 6.520 5.630 5.468 5.782 . 0 0 "[ . 1]" 1
405 1 29 ILE QG 1 39 ALA H . . 6.380 4.448 4.245 4.762 . 0 0 "[ . 1]" 1
406 1 29 ILE QG 1 39 ALA MB . . 6.580 2.640 2.419 3.038 . 0 0 "[ . 1]" 1
407 1 29 ILE QG 1 88 HIS HE1 . . 4.650 3.105 2.520 3.506 . 0 0 "[ . 1]" 1
408 1 29 ILE HG12 1 39 ALA HA . . 4.500 2.503 2.384 2.693 . 0 0 "[ . 1]" 1
409 1 29 ILE HG12 1 88 HIS HE1 . . 4.500 4.495 4.043 4.825 0.325 4 0 "[ . 1]" 1
410 1 29 ILE HG13 1 39 ALA HA . . 4.500 3.663 3.541 3.860 . 0 0 "[ . 1]" 1
411 1 29 ILE HG13 1 88 HIS HE1 . . 4.500 3.168 2.546 3.600 . 0 0 "[ . 1]" 1
412 1 29 ILE MG 1 30 ILE H . . 4.000 2.417 2.304 2.527 . 0 0 "[ . 1]" 1
413 1 29 ILE MG 1 31 TYR H . . 4.700 3.734 3.168 4.437 . 0 0 "[ . 1]" 1
414 1 29 ILE MG 1 31 TYR HA . . 4.700 3.924 3.542 4.084 . 0 0 "[ . 1]" 1
415 1 29 ILE MG 1 31 TYR QB . . 6.580 4.332 4.050 4.520 . 0 0 "[ . 1]" 1
416 1 29 ILE MG 1 31 TYR QD . . 6.870 2.817 2.605 2.957 . 0 0 "[ . 1]" 1
417 1 29 ILE MG 1 31 TYR QE . . 6.860 2.504 2.398 2.720 . 0 0 "[ . 1]" 1
418 1 29 ILE MG 1 37 PRO HA . . 4.700 3.667 3.111 4.098 . 0 0 "[ . 1]" 1
419 1 29 ILE MG 1 37 PRO HB2 . . 4.000 2.077 1.998 2.363 . 0 0 "[ . 1]" 1
420 1 29 ILE MG 1 37 PRO HB3 . . 4.000 3.114 2.932 3.272 . 0 0 "[ . 1]" 1
421 1 29 ILE MG 1 37 PRO QG . . 6.500 3.267 2.568 3.746 . 0 0 "[ . 1]" 1
422 1 29 ILE MG 1 38 LEU H . . 4.700 3.283 2.577 3.993 . 0 0 "[ . 1]" 1
423 1 29 ILE MG 1 39 ALA H . . 4.700 4.467 3.962 4.782 0.082 3 0 "[ . 1]" 1
424 1 29 ILE MG 1 39 ALA HA . . 4.700 3.431 3.018 3.640 . 0 0 "[ . 1]" 1
425 1 29 ILE MG 1 39 ALA MB . . 6.700 3.834 3.386 4.127 . 0 0 "[ . 1]" 1
426 1 29 ILE MG 1 88 HIS HE1 . . 4.700 3.757 3.580 3.854 . 0 0 "[ . 1]" 1
427 1 29 ILE MG 1 90 ASP HA . . 4.700 3.843 3.557 4.099 . 0 0 "[ . 1]" 1
428 1 29 ILE O 1 89 ILE O . . 2.400 3.247 3.040 3.482 1.082 9 10 [*****-**+*] 1
429 1 30 ILE H 1 30 ILE HB . . 3.800 2.606 2.555 2.671 . 0 0 "[ . 1]" 1
430 1 30 ILE H 1 30 ILE MD . . 4.700 3.968 3.770 4.177 . 0 0 "[ . 1]" 1
431 1 30 ILE H 1 38 LEU QB . . 4.500 4.644 3.312 5.079 0.579 3 3 "[ + . - *1]" 1
432 1 30 ILE H 1 38 LEU O . . 2.400 1.978 1.870 2.118 . 0 0 "[ . 1]" 1
433 1 30 ILE H 1 39 ALA HA . . 4.500 3.704 3.569 3.914 . 0 0 "[ . 1]" 1
434 1 30 ILE H 1 39 ALA MB . . 4.700 4.995 4.856 5.162 0.462 7 0 "[ . 1]" 1
435 1 30 ILE HA 1 31 TYR H . . 2.700 2.165 2.121 2.290 . 0 0 "[ . 1]" 1
436 1 30 ILE HA 1 91 PHE H . . 4.500 3.084 2.548 3.432 . 0 0 "[ . 1]" 1
437 1 30 ILE HA 1 91 PHE HA . . 4.500 4.614 4.427 4.685 0.185 9 0 "[ . 1]" 1
438 1 30 ILE HA 1 91 PHE QB . . 4.500 2.203 2.130 2.275 . 0 0 "[ . 1]" 1
439 1 30 ILE HA 1 91 PHE QD . . 5.620 3.522 3.144 3.862 . 0 0 "[ . 1]" 1
440 1 30 ILE HB 1 31 TYR H . . 4.500 4.264 3.885 4.486 . 0 0 "[ . 1]" 1
441 1 30 ILE HB 1 70 ILE MG . . 4.700 4.375 3.998 4.705 0.005 10 0 "[ . 1]" 1
442 1 30 ILE MD 1 63 ILE MD . . 5.000 2.432 2.085 3.676 . 0 0 "[ . 1]" 1
443 1 30 ILE MD 1 91 PHE QB . . 4.700 3.771 3.563 3.963 . 0 0 "[ . 1]" 1
444 1 30 ILE MD 1 91 PHE QD . . 6.850 4.079 3.853 4.705 . 0 0 "[ . 1]" 1
445 1 30 ILE QG 1 31 TYR H . . 6.380 4.294 4.057 4.381 . 0 0 "[ . 1]" 1
446 1 30 ILE QG 1 63 ILE MD . . 6.580 2.646 2.300 3.887 . 0 0 "[ . 1]" 1
447 1 30 ILE QG 1 91 PHE H . . 4.500 4.033 3.744 4.233 . 0 0 "[ . 1]" 1
448 1 30 ILE QG 1 91 PHE QB . . 6.250 2.337 2.252 2.612 . 0 0 "[ . 1]" 1
449 1 30 ILE QG 1 91 PHE QD . . 6.500 2.685 2.399 3.230 . 0 0 "[ . 1]" 1
450 1 30 ILE MG 1 31 TYR H . . 4.000 2.873 2.349 3.331 . 0 0 "[ . 1]" 1
451 1 30 ILE MG 1 31 TYR HA . . 4.700 3.891 3.416 4.136 . 0 0 "[ . 1]" 1
452 1 30 ILE MG 1 38 LEU H . . 4.700 4.481 4.028 4.941 0.241 3 0 "[ . 1]" 1
453 1 30 ILE MG 1 72 VAL HB . . 4.700 4.323 3.850 4.738 0.038 9 0 "[ . 1]" 1
454 1 30 ILE MG 1 72 VAL QG . . 6.260 2.438 2.171 2.834 . 0 0 "[ . 1]" 1
455 1 30 ILE MG 1 91 PHE HA . . 4.700 4.990 4.779 5.295 0.595 4 1 "[ +. 1]" 1
456 1 30 ILE MG 1 91 PHE QB . . 4.700 2.683 2.547 3.009 . 0 0 "[ . 1]" 1
457 1 30 ILE MG 1 92 VAL H . . 4.700 4.552 4.242 5.128 0.428 6 0 "[ . 1]" 1
458 1 30 ILE MG 1 92 VAL HA . . 4.700 3.757 3.526 3.994 . 0 0 "[ . 1]" 1
459 1 30 ILE MG 1 93 ARG H . . 4.700 3.652 3.318 4.084 . 0 0 "[ . 1]" 1
460 1 30 ILE MG 1 93 ARG QD . . 6.580 3.494 1.974 4.105 . 0 0 "[ . 1]" 1
461 1 30 ILE MG 1 93 ARG HE . . 4.700 2.995 2.075 3.992 . 0 0 "[ . 1]" 1
462 1 30 ILE MG 1 93 ARG QG . . 6.580 2.737 2.142 3.448 . 0 0 "[ . 1]" 1
463 1 31 TYR H 1 31 TYR QB . . 3.800 2.388 2.280 2.515 . 0 0 "[ . 1]" 1
464 1 31 TYR H 1 31 TYR QE . . 6.630 4.716 4.225 5.291 . 0 0 "[ . 1]" 1
465 1 31 TYR H 1 91 PHE QB . . 6.380 3.492 3.216 3.618 . 0 0 "[ . 1]" 1
466 1 31 TYR H 1 91 PHE O . . 2.400 1.912 1.872 2.002 . 0 0 "[ . 1]" 1
467 1 31 TYR H 1 92 VAL HA . . 3.800 3.103 2.669 3.530 . 0 0 "[ . 1]" 1
468 1 31 TYR H 1 92 VAL HB . . 4.500 5.282 4.408 5.906 1.406 4 6 "[*- +* **1]" 1
469 1 31 TYR H 1 92 VAL QG . . 5.500 3.867 3.519 4.594 . 0 0 "[ . 1]" 1
470 1 31 TYR H 1 93 ARG H . . 4.400 4.421 3.822 5.255 0.855 9 1 "[ . +1]" 1
471 1 31 TYR HA 1 32 GLY H . . 2.700 2.402 2.216 2.549 . 0 0 "[ . 1]" 1
472 1 31 TYR HA 1 37 PRO HA . . 3.800 2.734 2.496 2.990 . 0 0 "[ . 1]" 1
473 1 31 TYR HA 1 37 PRO HB2 . . 4.500 3.784 3.323 4.251 . 0 0 "[ . 1]" 1
474 1 31 TYR HA 1 37 PRO HB3 . . 4.500 2.546 2.308 2.922 . 0 0 "[ . 1]" 1
475 1 31 TYR HA 1 37 PRO QG . . 6.500 4.529 4.328 4.868 . 0 0 "[ . 1]" 1
476 1 31 TYR HA 1 38 LEU H . . 4.500 4.270 3.948 4.900 0.400 3 0 "[ . 1]" 1
477 1 31 TYR QB 1 32 GLY H . . 3.800 2.470 2.209 2.862 . 0 0 "[ . 1]" 1
478 1 31 TYR QB 1 32 GLY QA . . 6.250 3.669 3.533 3.946 . 0 0 "[ . 1]" 1
479 1 31 TYR QB 1 37 PRO HA . . 4.500 4.723 4.520 4.947 0.447 1 0 "[ . 1]" 1
480 1 31 TYR QB 1 37 PRO QB . . 6.250 3.633 3.426 4.130 . 0 0 "[ . 1]" 1
481 1 31 TYR QB 1 92 VAL HA . . 6.380 2.833 2.296 3.250 . 0 0 "[ . 1]" 1
482 1 31 TYR QB 1 92 VAL MG1 . . 6.820 3.822 2.302 4.698 . 0 0 "[ . 1]" 1
483 1 31 TYR QB 1 92 VAL QG . . 6.210 2.516 2.112 3.279 . 0 0 "[ . 1]" 1
484 1 31 TYR QB 1 92 VAL MG2 . . 6.820 2.792 2.125 4.725 . 0 0 "[ . 1]" 1
485 1 31 TYR QD 1 32 GLY H . . 5.940 3.781 3.364 4.184 . 0 0 "[ . 1]" 1
486 1 31 TYR QD 1 32 GLY HA2 . . 6.640 5.763 5.109 6.089 . 0 0 "[ . 1]" 1
487 1 31 TYR QD 1 32 GLY HA3 . . 6.640 6.108 5.657 6.314 . 0 0 "[ . 1]" 1
488 1 31 TYR QD 1 37 PRO HA . . 6.640 4.585 4.419 4.744 . 0 0 "[ . 1]" 1
489 1 31 TYR QD 1 37 PRO HB2 . . 6.640 3.981 3.764 4.403 . 0 0 "[ . 1]" 1
490 1 31 TYR QD 1 37 PRO HB3 . . 6.640 2.975 2.666 3.309 . 0 0 "[ . 1]" 1
491 1 31 TYR QD 1 37 PRO QG . . 7.520 3.632 3.020 4.470 . 0 0 "[ . 1]" 1
492 1 31 TYR QD 1 90 ASP HA . . 6.640 3.220 2.828 3.664 . 0 0 "[ . 1]" 1
493 1 31 TYR QD 1 90 ASP HB2 . . 6.640 4.481 2.748 4.850 . 0 0 "[ . 1]" 1
494 1 31 TYR QD 1 90 ASP HB3 . . 6.640 3.220 2.825 4.152 . 0 0 "[ . 1]" 1
495 1 31 TYR QD 1 91 PHE H . . 6.640 3.653 3.181 3.938 . 0 0 "[ . 1]" 1
496 1 31 TYR QD 1 92 VAL HA . . 6.640 4.551 4.279 4.839 . 0 0 "[ . 1]" 1
497 1 31 TYR QD 1 92 VAL QG . . 6.430 3.999 3.460 4.849 . 0 0 "[ . 1]" 1
498 1 31 TYR QE 1 32 GLY H . . 6.630 5.890 5.374 6.153 . 0 0 "[ . 1]" 1
499 1 31 TYR QE 1 36 ALA MB . . 6.860 6.686 6.309 7.340 0.480 9 0 "[ . 1]" 1
500 1 31 TYR QE 1 37 PRO HB2 . . 6.630 3.834 3.533 4.033 . 0 0 "[ . 1]" 1
501 1 31 TYR QE 1 37 PRO HB3 . . 6.630 3.525 3.268 3.830 . 0 0 "[ . 1]" 1
502 1 31 TYR QE 1 37 PRO QG . . 7.510 2.901 2.609 3.549 . 0 0 "[ . 1]" 1
503 1 31 TYR QE 1 90 ASP HA . . 6.630 3.041 2.314 3.819 . 0 0 "[ . 1]" 1
504 1 31 TYR QE 1 90 ASP QB . . 6.510 2.734 2.377 3.059 . 0 0 "[ . 1]" 1
505 1 31 TYR QE 1 92 VAL QG . . 6.420 5.429 4.888 6.337 . 0 0 "[ . 1]" 1
506 1 32 GLY H 1 37 PRO QB . . 6.380 4.200 3.815 4.499 . 0 0 "[ . 1]" 1
507 1 32 GLY H 1 37 PRO QG . . 6.500 5.775 5.479 6.164 . 0 0 "[ . 1]" 1
508 1 32 GLY H 1 92 VAL QG . . 5.500 4.225 3.511 4.919 . 0 0 "[ . 1]" 1
509 1 32 GLY QA 1 92 VAL QG . . 6.140 3.138 2.332 4.219 . 0 0 "[ . 1]" 1
510 1 32 GLY QA 1 93 ARG QD . . 6.250 3.271 2.356 4.776 . 0 0 "[ . 1]" 1
511 1 32 GLY QA 1 93 ARG QG . . 6.320 2.923 2.074 4.493 . 0 0 "[ . 1]" 1
512 1 32 GLY HA2 1 93 ARG H . . 4.500 2.981 2.109 4.857 0.357 6 0 "[ . 1]" 1
513 1 32 GLY HA2 1 93 ARG HG2 . . 6.250 4.538 2.575 5.563 . 0 0 "[ . 1]" 1
514 1 32 GLY HA2 1 93 ARG HG3 . . 6.250 3.808 2.421 5.809 . 0 0 "[ . 1]" 1
515 1 32 GLY HA3 1 93 ARG H . . 4.500 3.717 2.932 4.749 0.249 8 0 "[ . 1]" 1
516 1 32 GLY HA3 1 93 ARG HG2 . . 6.250 4.195 2.412 5.436 . 0 0 "[ . 1]" 1
517 1 32 GLY HA3 1 93 ARG HG3 . . 6.250 3.453 2.344 6.089 . 0 0 "[ . 1]" 1
518 1 33 GLY QA 1 34 LYS HA . . 6.380 4.085 4.023 4.170 . 0 0 "[ . 1]" 1
519 1 33 GLY QA 1 34 LYS QG . . 6.380 5.165 3.978 5.759 . 0 0 "[ . 1]" 1
520 1 33 GLY QA 1 35 GLU H . . 6.380 4.398 3.952 5.874 . 0 0 "[ . 1]" 1
521 1 34 LYS H 1 35 GLU H . . 4.400 2.824 1.875 4.071 . 0 0 "[ . 1]" 1
522 1 34 LYS QB 1 35 GLU H . . 4.650 2.636 1.963 4.058 . 0 0 "[ . 1]" 1
523 1 34 LYS HB2 1 35 GLU H . . 4.500 3.739 2.560 4.651 0.151 4 0 "[ . 1]" 1
524 1 34 LYS HB3 1 35 GLU H . . 4.500 2.814 1.973 4.470 . 0 0 "[ . 1]" 1
525 1 34 LYS QE 1 35 GLU H . . 6.500 5.062 4.040 5.704 . 0 0 "[ . 1]" 1
526 1 34 LYS QG 1 35 GLU H . . 6.500 3.639 2.586 4.372 . 0 0 "[ . 1]" 1
527 1 35 GLU H 1 35 GLU HB2 . . 3.800 2.945 2.415 3.376 . 0 0 "[ . 1]" 1
528 1 35 GLU H 1 35 GLU HB3 . . 3.800 2.993 2.430 3.812 0.012 3 0 "[ . 1]" 1
529 1 35 GLU H 1 36 ALA H . . 4.400 4.193 2.277 4.596 0.196 1 0 "[ . 1]" 1
530 1 35 GLU H 1 36 ALA HA . . 4.500 5.172 4.471 5.679 1.179 1 8 "[+** * ***-]" 1
531 1 35 GLU HA 1 36 ALA H . . 2.700 2.380 2.154 2.722 0.022 6 0 "[ . 1]" 1
532 1 35 GLU HB2 1 36 ALA H . . 4.500 4.147 3.911 4.659 0.159 6 0 "[ . 1]" 1
533 1 35 GLU HB3 1 36 ALA H . . 4.500 3.689 2.819 4.485 . 0 0 "[ . 1]" 1
534 1 35 GLU QG 1 36 ALA H . . 6.500 2.682 1.993 4.361 . 0 0 "[ . 1]" 1
535 1 36 ALA H 1 36 ALA MB . . 3.400 2.259 2.179 2.815 . 0 0 "[ . 1]" 1
536 1 36 ALA H 1 37 PRO QD . . 4.500 4.408 4.131 4.466 . 0 0 "[ . 1]" 1
537 1 36 ALA HA 1 37 PRO QD . . 3.800 2.154 2.090 2.192 . 0 0 "[ . 1]" 1
538 1 36 ALA MB 1 37 PRO QD . . 4.000 2.343 2.200 2.778 . 0 0 "[ . 1]" 1
539 1 37 PRO HA 1 38 LEU H . . 2.700 2.310 2.194 2.369 . 0 0 "[ . 1]" 1
540 1 37 PRO HA 1 38 LEU QB . . 6.380 4.397 4.229 4.656 . 0 0 "[ . 1]" 1
541 1 37 PRO HA 1 38 LEU MD1 . . 4.700 3.666 2.550 5.260 0.560 4 2 "[ +- 1]" 1
542 1 37 PRO HA 1 38 LEU MD2 . . 4.700 4.351 2.554 5.210 0.510 3 1 "[ + . 1]" 1
543 1 38 LEU H 1 38 LEU QB . . 3.800 2.793 2.410 3.254 . 0 0 "[ . 1]" 1
544 1 38 LEU H 1 38 LEU MD1 . . 4.700 2.668 1.877 3.985 . 0 0 "[ . 1]" 1
545 1 38 LEU H 1 38 LEU QD . . 4.420 2.263 1.870 3.064 . 0 0 "[ . 1]" 1
546 1 38 LEU H 1 38 LEU MD2 . . 4.700 3.036 2.281 3.718 . 0 0 "[ . 1]" 1
547 1 38 LEU H 1 38 LEU HG . . 4.500 3.705 2.075 4.424 . 0 0 "[ . 1]" 1
548 1 38 LEU HA 1 38 LEU MD1 . . 4.700 3.351 2.166 3.739 . 0 0 "[ . 1]" 1
549 1 38 LEU HA 1 38 LEU MD2 . . 4.700 3.637 3.073 4.066 . 0 0 "[ . 1]" 1
550 1 38 LEU QB 1 39 ALA H . . 4.500 2.725 2.495 3.538 . 0 0 "[ . 1]" 1
551 1 38 LEU MD1 1 39 ALA H . . 4.700 4.210 3.277 4.918 0.218 8 0 "[ . 1]" 1
552 1 38 LEU MD2 1 39 ALA H . . 4.700 3.944 3.037 4.940 0.240 1 0 "[ . 1]" 1
553 1 38 LEU HG 1 39 ALA H . . 4.500 4.898 4.670 5.648 1.148 1 2 "[+ .- 1]" 1
554 1 38 LEU HG 1 40 ILE QG . . 6.380 6.500 5.704 7.266 0.886 8 2 "[ . + -]" 1
555 1 39 ALA HA 1 40 ILE MG . . 4.700 3.784 3.634 3.954 . 0 0 "[ . 1]" 1
556 1 39 ALA MB 1 40 ILE H . . 4.000 2.765 2.587 3.175 . 0 0 "[ . 1]" 1
557 1 39 ALA MB 1 40 ILE HA . . 4.700 4.062 3.960 4.277 . 0 0 "[ . 1]" 1
558 1 40 ILE H 1 40 ILE MD . . 4.700 3.814 2.839 4.073 . 0 0 "[ . 1]" 1
559 1 40 ILE H 1 40 ILE QG . . 3.800 2.326 2.240 2.380 . 0 0 "[ . 1]" 1
560 1 40 ILE HA 1 41 GLU H . . 3.000 2.402 2.293 2.505 . 0 0 "[ . 1]" 1
561 1 40 ILE HB 1 41 GLU H . . 2.700 2.418 2.254 2.613 . 0 0 "[ . 1]" 1
562 1 40 ILE MD 1 41 GLU H . . 4.700 4.021 3.126 4.399 . 0 0 "[ . 1]" 1
563 1 40 ILE MD 1 63 ILE MD . . 6.700 2.591 2.284 3.184 . 0 0 "[ . 1]" 1
564 1 40 ILE MD 1 91 PHE QD . . 6.850 3.140 2.578 3.434 . 0 0 "[ . 1]" 1
565 1 40 ILE QG 1 41 GLU H . . 4.500 3.840 3.586 4.354 . 0 0 "[ . 1]" 1
566 1 40 ILE MG 1 41 GLU H . . 4.000 3.581 3.515 3.651 . 0 0 "[ . 1]" 1
567 1 41 GLU H 1 42 LEU QB . . 6.380 5.311 4.571 5.758 . 0 0 "[ . 1]" 1
568 1 41 GLU QB 1 43 ASP H . . 6.380 5.353 4.728 6.207 . 0 0 "[ . 1]" 1
569 1 41 GLU QG 1 42 LEU H . . 6.500 4.250 3.514 4.521 . 0 0 "[ . 1]" 1
570 1 42 LEU H 1 42 LEU HG . . 4.500 4.116 2.664 4.804 0.304 4 0 "[ . 1]" 1
571 1 42 LEU HB2 1 43 ASP H . . 4.500 3.826 2.353 4.616 0.116 5 0 "[ . 1]" 1
572 1 42 LEU HB3 1 43 ASP H . . 4.500 3.451 2.638 4.070 . 0 0 "[ . 1]" 1
573 1 42 LEU QD 1 43 ASP H . . 6.270 3.685 3.396 4.135 . 0 0 "[ . 1]" 1
574 1 42 LEU QD 1 63 ILE MD . . 6.700 3.233 2.560 3.672 . 0 0 "[ . 1]" 1
575 1 42 LEU QD 1 63 ILE MG . . 6.270 3.139 2.578 4.099 . 0 0 "[ . 1]" 1
576 1 42 LEU QD 1 89 ILE MG . . 6.270 3.522 2.473 4.761 . 0 0 "[ . 1]" 1
577 1 42 LEU QD 1 91 PHE QE . . 6.850 2.260 2.118 2.362 . 0 0 "[ . 1]" 1
578 1 42 LEU QD 1 91 PHE HZ . . 4.700 2.432 2.104 2.889 . 0 0 "[ . 1]" 1
579 1 43 ASP H 1 43 ASP HA . . 2.700 2.889 2.853 2.935 0.235 4 0 "[ . 1]" 1
580 1 43 ASP H 1 43 ASP HB2 . . 3.800 2.598 2.400 3.582 . 0 0 "[ . 1]" 1
581 1 43 ASP H 1 43 ASP HB3 . . 3.800 3.154 2.476 3.622 . 0 0 "[ . 1]" 1
582 1 43 ASP H 1 46 LYS QB . . 6.380 4.933 4.265 5.873 . 0 0 "[ . 1]" 1
583 1 43 ASP H 1 47 VAL QG . . 5.500 3.435 2.034 4.449 . 0 0 "[ . 1]" 1
584 1 43 ASP HA 1 44 HIS QB . . 6.380 4.017 3.917 4.114 . 0 0 "[ . 1]" 1
585 1 43 ASP QB 1 45 ASP H . . 6.380 3.489 2.928 3.925 . 0 0 "[ . 1]" 1
586 1 43 ASP QB 1 46 LYS H . . 6.380 3.289 2.576 4.047 . 0 0 "[ . 1]" 1
587 1 43 ASP QB 1 46 LYS QB . . 5.860 3.283 2.109 3.988 . 0 0 "[ . 1]" 1
588 1 43 ASP QB 1 46 LYS QD . . 6.380 3.979 2.827 4.829 . 0 0 "[ . 1]" 1
589 1 43 ASP QB 1 47 VAL H . . 6.380 3.698 2.547 4.482 . 0 0 "[ . 1]" 1
590 1 43 ASP HB2 1 46 LYS QB . . 6.250 3.848 2.234 5.439 . 0 0 "[ . 1]" 1
591 1 43 ASP HB3 1 46 LYS QB . . 6.250 3.999 2.414 5.296 . 0 0 "[ . 1]" 1
592 1 44 HIS H 1 44 HIS HB2 . . 3.800 2.712 2.394 3.310 . 0 0 "[ . 1]" 1
593 1 44 HIS H 1 44 HIS HB3 . . 3.800 2.567 2.437 3.022 . 0 0 "[ . 1]" 1
594 1 44 HIS H 1 44 HIS HD2 . . 4.500 5.254 4.970 5.844 1.344 3 9 "[**+*-* ***]" 1
595 1 44 HIS H 1 45 ASP H . . 4.400 3.393 2.340 3.849 . 0 0 "[ . 1]" 1
596 1 44 HIS HA 1 44 HIS HD2 . . 4.500 3.940 3.432 4.489 . 0 0 "[ . 1]" 1
597 1 44 HIS HA 1 47 VAL H . . 4.500 4.468 4.133 4.803 0.303 9 0 "[ . 1]" 1
598 1 44 HIS HA 1 47 VAL HB . . 4.500 4.866 3.577 5.766 1.266 1 5 "[+* -.* *]" 1
599 1 44 HIS HA 1 47 VAL MG1 . . 4.700 3.567 2.213 5.413 0.713 9 1 "[ . +1]" 1
600 1 44 HIS HA 1 47 VAL MG2 . . 4.700 4.216 2.495 5.440 0.740 6 1 "[ .+ 1]" 1
601 1 44 HIS HA 1 48 MET H . . 4.500 4.099 3.356 4.729 0.229 1 0 "[ . 1]" 1
602 1 44 HIS HA 1 86 LEU QD . . 6.270 3.105 2.263 3.773 . 0 0 "[ . 1]" 1
603 1 44 HIS QB 1 45 ASP H . . 4.650 3.869 2.176 4.091 . 0 0 "[ . 1]" 1
604 1 44 HIS HB2 1 45 ASP H . . 4.500 4.551 3.687 4.673 0.173 6 0 "[ . 1]" 1
605 1 44 HIS HB3 1 45 ASP H . . 4.500 4.245 2.192 4.522 0.022 10 0 "[ . 1]" 1
606 1 44 HIS HD2 1 85 LYS QB . . 6.380 6.146 5.707 6.622 0.242 2 0 "[ . 1]" 1
607 1 44 HIS HD2 1 85 LYS QD . . 6.380 5.369 3.812 6.788 0.408 7 0 "[ . 1]" 1
608 1 44 HIS HD2 1 86 LEU QB . . 6.380 2.839 2.242 3.315 . 0 0 "[ . 1]" 1
609 1 44 HIS HD2 1 86 LEU QD . . 6.270 3.801 2.357 4.428 . 0 0 "[ . 1]" 1
610 1 44 HIS HE1 1 45 ASP HA . . 4.500 5.593 4.580 6.010 1.510 6 9 "[ **-*+****]" 1
611 1 44 HIS HE1 1 48 MET QB . . 6.380 4.460 3.211 5.776 . 0 0 "[ . 1]" 1
612 1 44 HIS HE1 1 48 MET ME . . 4.700 4.338 2.599 5.927 1.227 9 2 "[- . +1]" 1
613 1 44 HIS HE1 1 48 MET QG . . 4.500 3.766 2.522 5.669 1.169 9 2 "[ - . +1]" 1
614 1 44 HIS HE1 1 84 PRO QG . . 6.380 4.041 2.541 5.174 . 0 0 "[ . 1]" 1
615 1 44 HIS HE1 1 85 LYS HA . . 3.800 3.330 2.255 4.887 1.087 1 2 "[+ -. 1]" 1
616 1 44 HIS HE1 1 85 LYS QD . . 6.380 4.749 3.441 6.346 . 0 0 "[ . 1]" 1
617 1 44 HIS HE1 1 85 LYS QG . . 6.380 5.236 2.961 6.455 0.075 9 0 "[ . 1]" 1
618 1 44 HIS HE1 1 86 LEU QB . . 6.380 4.381 3.480 5.899 . 0 0 "[ . 1]" 1
619 1 45 ASP H 1 45 ASP HB2 . . 3.800 3.343 2.521 3.831 0.031 9 0 "[ . 1]" 1
620 1 45 ASP H 1 45 ASP HB3 . . 3.800 3.121 2.429 3.899 0.099 4 0 "[ . 1]" 1
621 1 45 ASP H 1 46 LYS H . . 2.400 2.604 2.180 2.870 0.470 1 0 "[ . 1]" 1
622 1 45 ASP H 1 46 LYS QB . . 6.380 4.160 3.719 4.606 . 0 0 "[ . 1]" 1
623 1 45 ASP HA 1 48 MET H . . 4.500 3.842 3.609 4.068 . 0 0 "[ . 1]" 1
624 1 45 ASP HA 1 48 MET HB2 . . 4.500 3.615 2.514 4.318 . 0 0 "[ . 1]" 1
625 1 45 ASP HA 1 48 MET HB3 . . 4.500 3.480 2.596 5.386 0.886 10 1 "[ . +]" 1
626 1 45 ASP HA 1 49 ASN H . . 4.500 4.615 4.109 5.356 0.856 10 2 "[- . +]" 1
627 1 45 ASP HB2 1 46 LYS H . . 4.500 3.371 2.062 3.775 . 0 0 "[ . 1]" 1
628 1 45 ASP HB3 1 46 LYS H . . 4.500 2.312 2.065 3.134 . 0 0 "[ . 1]" 1
629 1 45 ASP O 1 49 ASN H . . 2.400 2.406 1.896 3.056 0.656 10 2 "[- . +]" 1
630 1 46 LYS H 1 46 LYS QB . . 3.800 2.269 2.134 2.475 . 0 0 "[ . 1]" 1
631 1 46 LYS H 1 46 LYS QE . . 6.500 4.814 3.080 6.046 . 0 0 "[ . 1]" 1
632 1 46 LYS H 1 46 LYS HG2 . . 4.500 3.865 2.341 4.564 0.064 1 0 "[ . 1]" 1
633 1 46 LYS H 1 46 LYS HG3 . . 4.500 3.579 2.098 4.531 0.031 1 0 "[ . 1]" 1
634 1 46 LYS H 1 47 VAL H . . 4.400 2.813 2.595 2.966 . 0 0 "[ . 1]" 1
635 1 46 LYS H 1 47 VAL QG . . 5.500 3.960 3.496 4.244 . 0 0 "[ . 1]" 1
636 1 46 LYS H 1 48 MET H . . 4.400 4.192 3.909 4.480 0.080 10 0 "[ . 1]" 1
637 1 46 LYS HA 1 47 VAL HA . . 4.500 4.793 4.700 4.914 0.414 10 0 "[ . 1]" 1
638 1 46 LYS HA 1 49 ASN H . . 4.500 3.716 3.460 4.158 . 0 0 "[ . 1]" 1
639 1 46 LYS HA 1 49 ASN QB . . 4.500 3.227 2.851 3.927 . 0 0 "[ . 1]" 1
640 1 46 LYS HA 1 49 ASN QD . . 6.370 3.759 2.300 6.293 . 0 0 "[ . 1]" 1
641 1 46 LYS HA 1 50 MET ME . . 4.700 4.137 3.530 5.129 0.429 1 0 "[ . 1]" 1
642 1 46 LYS QB 1 47 VAL H . . 4.500 2.613 2.242 3.437 . 0 0 "[ . 1]" 1
643 1 46 LYS QB 1 48 MET H . . 6.380 4.725 4.430 5.077 . 0 0 "[ . 1]" 1
644 1 46 LYS QE 1 50 MET ME . . 6.500 3.919 3.025 5.235 . 0 0 "[ . 1]" 1
645 1 46 LYS QG 1 50 MET ME . . 6.580 3.221 2.301 4.405 . 0 0 "[ . 1]" 1
646 1 46 LYS O 1 50 MET H . . 2.400 2.269 1.937 3.507 1.107 1 1 "[+ . 1]" 1
647 1 47 VAL H 1 47 VAL HB . . 3.800 2.775 2.294 3.651 . 0 0 "[ . 1]" 1
648 1 47 VAL H 1 47 VAL QG . . 4.200 2.139 1.848 2.438 . 0 0 "[ . 1]" 1
649 1 47 VAL H 1 48 MET H . . 4.400 2.772 2.670 2.927 . 0 0 "[ . 1]" 1
650 1 47 VAL HA 1 49 ASN H . . 4.500 4.409 4.040 4.675 0.175 7 0 "[ . 1]" 1
651 1 47 VAL HA 1 50 MET H . . 3.800 3.324 3.024 3.536 . 0 0 "[ . 1]" 1
652 1 47 VAL HA 1 50 MET QB . . 4.500 2.535 2.261 3.161 . 0 0 "[ . 1]" 1
653 1 47 VAL HA 1 50 MET ME . . 4.700 3.678 2.184 5.066 0.366 5 0 "[ . 1]" 1
654 1 47 VAL HA 1 50 MET QG . . 4.500 3.615 2.661 3.984 . 0 0 "[ . 1]" 1
655 1 47 VAL HA 1 56 PHE QE . . 5.620 4.522 3.866 5.257 . 0 0 "[ . 1]" 1
656 1 47 VAL HB 1 86 LEU QD . . 6.270 3.757 2.556 4.554 . 0 0 "[ . 1]" 1
657 1 47 VAL QG 1 48 MET HA . . 5.500 3.286 3.095 3.695 . 0 0 "[ . 1]" 1
658 1 47 VAL QG 1 50 MET H . . 5.500 4.361 4.155 4.659 . 0 0 "[ . 1]" 1
659 1 47 VAL QG 1 50 MET ME . . 6.260 4.065 2.671 5.406 . 0 0 "[ . 1]" 1
660 1 47 VAL QG 1 50 MET QG . . 6.140 4.491 3.697 4.897 . 0 0 "[ . 1]" 1
661 1 47 VAL QG 1 51 GLN H . . 5.560 3.915 3.484 4.671 . 0 0 "[ . 1]" 1
662 1 47 VAL QG 1 56 PHE QD . . 6.410 5.115 4.399 6.075 . 0 0 "[ . 1]" 1
663 1 47 VAL QG 1 56 PHE QE . . 6.890 3.655 2.673 4.752 . 0 0 "[ . 1]" 1
664 1 47 VAL QG 1 56 PHE HZ . . 5.500 3.314 2.486 4.424 . 0 0 "[ . 1]" 1
665 1 47 VAL QG 1 86 LEU QD . . 6.920 2.089 1.946 2.472 . 0 0 "[ . 1]" 1
666 1 47 VAL QG 1 91 PHE HZ . . 5.500 3.625 2.327 4.321 . 0 0 "[ . 1]" 1
667 1 47 VAL MG1 1 48 MET H . . 4.700 3.068 2.208 4.192 . 0 0 "[ . 1]" 1
668 1 47 VAL MG1 1 56 PHE QE . . 6.850 4.842 3.097 5.829 . 0 0 "[ . 1]" 1
669 1 47 VAL MG1 1 86 LEU MD1 . . 7.820 3.294 2.056 5.202 . 0 0 "[ . 1]" 1
670 1 47 VAL MG1 1 86 LEU MD2 . . 7.820 3.434 2.081 5.741 . 0 0 "[ . 1]" 1
671 1 47 VAL MG2 1 48 MET H . . 4.700 3.471 2.135 4.121 . 0 0 "[ . 1]" 1
672 1 47 VAL MG2 1 56 PHE QE . . 6.850 4.270 2.685 5.860 . 0 0 "[ . 1]" 1
673 1 47 VAL MG2 1 86 LEU MD1 . . 7.820 3.339 1.958 5.373 . 0 0 "[ . 1]" 1
674 1 47 VAL MG2 1 86 LEU MD2 . . 7.820 3.576 2.015 4.959 . 0 0 "[ . 1]" 1
675 1 47 VAL O 1 51 GLN H . . 2.400 1.903 1.872 1.936 . 0 0 "[ . 1]" 1
676 1 48 MET H 1 48 MET HB2 . . 3.800 2.465 2.139 2.852 . 0 0 "[ . 1]" 1
677 1 48 MET H 1 48 MET HB3 . . 3.800 2.770 2.145 3.594 . 0 0 "[ . 1]" 1
678 1 48 MET H 1 49 ASN H . . 4.400 2.766 2.604 2.959 . 0 0 "[ . 1]" 1
679 1 48 MET H 1 49 ASN QB . . 6.380 4.671 4.358 5.027 . 0 0 "[ . 1]" 1
680 1 48 MET H 1 50 MET H . . 4.400 4.207 3.992 4.376 . 0 0 "[ . 1]" 1
681 1 48 MET H 1 86 LEU QD . . 6.270 3.401 2.563 3.916 . 0 0 "[ . 1]" 1
682 1 48 MET HA 1 48 MET ME . . 4.000 2.964 2.201 3.826 . 0 0 "[ . 1]" 1
683 1 48 MET HA 1 51 GLN H . . 3.800 3.558 3.061 4.017 0.217 5 0 "[ . 1]" 1
684 1 48 MET HA 1 51 GLN QB . . 6.380 3.371 2.155 4.293 . 0 0 "[ . 1]" 1
685 1 48 MET HA 1 51 GLN HG2 . . 4.500 3.305 2.420 5.133 0.633 10 1 "[ . +]" 1
686 1 48 MET HA 1 51 GLN QG . . 4.650 2.550 2.055 3.365 . 0 0 "[ . 1]" 1
687 1 48 MET HA 1 51 GLN HG3 . . 4.500 2.780 2.222 3.526 . 0 0 "[ . 1]" 1
688 1 48 MET HA 1 86 LEU MD1 . . 4.700 3.104 2.191 4.361 . 0 0 "[ . 1]" 1
689 1 48 MET HA 1 86 LEU QD . . 4.670 2.613 2.185 3.135 . 0 0 "[ . 1]" 1
690 1 48 MET HA 1 86 LEU MD2 . . 4.700 3.489 2.569 4.500 . 0 0 "[ . 1]" 1
691 1 48 MET HA 1 86 LEU HG . . 4.500 4.901 3.862 6.333 1.833 10 5 "[* -*. * +]" 1
692 1 48 MET QB 1 84 PRO QB . . 6.250 3.866 3.053 4.474 . 0 0 "[ . 1]" 1
693 1 48 MET HB2 1 49 ASN H . . 4.500 3.631 2.396 4.072 . 0 0 "[ . 1]" 1
694 1 48 MET HB3 1 49 ASN H . . 4.500 2.843 2.503 3.583 . 0 0 "[ . 1]" 1
695 1 48 MET ME 1 79 ARG HA . . 4.700 4.757 3.598 5.920 1.220 4 3 "[ +.* - 1]" 1
696 1 48 MET ME 1 84 PRO HA . . 4.700 2.342 2.154 2.838 . 0 0 "[ . 1]" 1
697 1 48 MET ME 1 84 PRO HD2 . . 6.000 5.364 4.809 5.842 . 0 0 "[ . 1]" 1
698 1 48 MET ME 1 84 PRO HD3 . . 6.000 4.612 3.513 5.286 . 0 0 "[ . 1]" 1
699 1 48 MET ME 1 84 PRO HG2 . . 4.700 4.761 4.341 5.342 0.642 6 1 "[ .+ 1]" 1
700 1 48 MET ME 1 84 PRO HG3 . . 4.700 4.653 4.163 5.179 0.479 6 0 "[ . 1]" 1
701 1 48 MET ME 1 85 LYS HA . . 4.700 4.753 3.639 6.112 1.412 1 3 "[+ *. - 1]" 1
702 1 48 MET ME 1 86 LEU MD1 . . 6.700 3.431 2.128 5.051 . 0 0 "[ . 1]" 1
703 1 48 MET ME 1 86 LEU MD2 . . 6.700 3.480 2.004 4.799 . 0 0 "[ . 1]" 1
704 1 48 MET QG 1 49 ASN H . . 6.380 3.915 2.800 4.606 . 0 0 "[ . 1]" 1
705 1 48 MET O 1 52 ALA H . . 2.400 2.566 2.058 3.704 1.304 5 2 "[ -+ 1]" 1
706 1 49 ASN H 1 49 ASN QB . . 3.800 2.388 2.189 2.577 . 0 0 "[ . 1]" 1
707 1 49 ASN H 1 50 MET QB . . 6.380 4.697 4.503 4.940 . 0 0 "[ . 1]" 1
708 1 49 ASN H 1 50 MET QG . . 6.380 4.562 4.043 5.590 . 0 0 "[ . 1]" 1
709 1 49 ASN HA 1 52 ALA H . . 4.500 4.301 4.036 4.615 0.115 8 0 "[ . 1]" 1
710 1 49 ASN QB 1 50 MET H . . 4.500 2.539 2.352 2.656 . 0 0 "[ . 1]" 1
711 1 49 ASN QB 1 50 MET HA . . 4.500 3.976 3.746 4.326 . 0 0 "[ . 1]" 1
712 1 50 MET H 1 50 MET QB . . 3.800 2.386 2.311 2.518 . 0 0 "[ . 1]" 1
713 1 50 MET H 1 50 MET ME . . 4.700 4.061 3.519 4.530 . 0 0 "[ . 1]" 1
714 1 50 MET H 1 50 MET QG . . 3.800 2.408 2.181 3.306 . 0 0 "[ . 1]" 1
715 1 50 MET H 1 51 GLN H . . 4.400 2.741 2.428 2.947 . 0 0 "[ . 1]" 1
716 1 50 MET H 1 52 ALA H . . 4.400 4.767 4.507 5.256 0.856 3 2 "[ + . -]" 1
717 1 50 MET HA 1 50 MET ME . . 4.700 4.474 4.153 4.573 . 0 0 "[ . 1]" 1
718 1 50 MET HA 1 51 GLN HA . . 4.500 4.772 4.626 4.970 0.470 8 0 "[ . 1]" 1
719 1 50 MET HA 1 52 ALA H . . 4.500 4.929 3.949 5.424 0.924 3 5 "[*-+ . **]" 1
720 1 50 MET HA 1 56 PHE QD . . 5.620 4.593 3.908 5.523 . 0 0 "[ . 1]" 1
721 1 50 MET QB 1 51 GLN H . . 3.800 2.696 2.490 2.899 . 0 0 "[ . 1]" 1
722 1 50 MET QB 1 51 GLN HA . . 6.380 3.837 3.695 4.014 . 0 0 "[ . 1]" 1
723 1 50 MET QB 1 52 ALA H . . 6.380 5.094 4.649 5.606 . 0 0 "[ . 1]" 1
724 1 50 MET QB 1 56 PHE QD . . 5.620 3.210 2.388 4.110 . 0 0 "[ . 1]" 1
725 1 50 MET QB 1 56 PHE QE . . 5.620 2.578 2.213 3.279 . 0 0 "[ . 1]" 1
726 1 50 MET QB 1 56 PHE HZ . . 4.500 4.340 4.033 4.688 0.188 10 0 "[ . 1]" 1
727 1 50 MET ME 1 56 PHE QD . . 6.850 6.188 5.539 6.782 . 0 0 "[ . 1]" 1
728 1 50 MET ME 1 56 PHE QE . . 6.850 5.055 3.816 5.807 . 0 0 "[ . 1]" 1
729 1 50 MET QG 1 51 GLN H . . 4.680 4.280 4.103 4.504 . 0 0 "[ . 1]" 1
730 1 50 MET QG 1 56 PHE QD . . 6.500 5.104 4.363 6.077 . 0 0 "[ . 1]" 1
731 1 50 MET QG 1 56 PHE QE . . 6.500 4.469 3.578 5.341 . 0 0 "[ . 1]" 1
732 1 51 GLN H 1 51 GLN HB2 . . 3.800 3.052 2.211 3.676 . 0 0 "[ . 1]" 1
733 1 51 GLN H 1 51 GLN HB3 . . 3.800 3.065 2.438 3.658 . 0 0 "[ . 1]" 1
734 1 51 GLN H 1 51 GLN QE . . 5.270 4.641 4.400 4.978 . 0 0 "[ . 1]" 1
735 1 51 GLN H 1 51 GLN HG2 . . 3.800 2.995 2.321 3.505 . 0 0 "[ . 1]" 1
736 1 51 GLN H 1 51 GLN HG3 . . 3.800 2.792 2.047 3.695 . 0 0 "[ . 1]" 1
737 1 51 GLN H 1 52 ALA H . . 4.400 2.934 2.748 3.206 . 0 0 "[ . 1]" 1
738 1 51 GLN H 1 52 ALA MB . . 4.700 4.546 4.296 4.661 . 0 0 "[ . 1]" 1
739 1 51 GLN H 1 56 PHE QD . . 5.620 4.378 3.696 5.085 . 0 0 "[ . 1]" 1
740 1 51 GLN H 1 86 LEU QD . . 5.570 4.595 4.310 4.935 . 0 0 "[ . 1]" 1
741 1 51 GLN HA 1 52 ALA MB . . 4.700 4.273 4.170 4.389 . 0 0 "[ . 1]" 1
742 1 51 GLN HA 1 53 LYS H . . 4.500 4.544 3.414 5.396 0.896 5 2 "[ + - 1]" 1
743 1 51 GLN HA 1 56 PHE HB2 . . 4.500 2.493 2.121 3.311 . 0 0 "[ . 1]" 1
744 1 51 GLN HA 1 56 PHE HB3 . . 4.500 3.607 3.151 4.107 . 0 0 "[ . 1]" 1
745 1 51 GLN HA 1 56 PHE QD . . 5.620 2.672 2.402 3.201 . 0 0 "[ . 1]" 1
746 1 51 GLN HA 1 56 PHE QE . . 5.620 3.551 3.153 3.778 . 0 0 "[ . 1]" 1
747 1 51 GLN HA 1 57 TYR QE . . 6.630 6.629 5.672 8.093 1.463 10 1 "[ . +]" 1
748 1 51 GLN QB 1 56 PHE HZ . . 6.380 4.602 3.087 5.772 . 0 0 "[ . 1]" 1
749 1 51 GLN QB 1 57 TYR QE . . 6.510 5.859 5.188 6.838 0.328 10 0 "[ . 1]" 1
750 1 51 GLN QB 1 77 VAL QG . . 6.140 3.981 2.709 5.458 . 0 0 "[ . 1]" 1
751 1 51 GLN QB 1 86 LEU QD . . 6.150 3.324 2.875 3.689 . 0 0 "[ . 1]" 1
752 1 51 GLN HB2 1 52 ALA H . . 4.500 3.111 2.160 4.238 . 0 0 "[ . 1]" 1
753 1 51 GLN HB2 1 56 PHE QD . . 5.620 4.432 3.011 5.582 . 0 0 "[ . 1]" 1
754 1 51 GLN HB2 1 56 PHE QE . . 5.620 4.660 2.963 5.647 0.027 8 0 "[ . 1]" 1
755 1 51 GLN HB3 1 52 ALA H . . 4.500 3.545 2.497 4.200 . 0 0 "[ . 1]" 1
756 1 51 GLN HB3 1 56 PHE QD . . 5.620 4.279 3.582 5.052 . 0 0 "[ . 1]" 1
757 1 51 GLN HB3 1 56 PHE QE . . 5.620 4.335 3.159 5.389 . 0 0 "[ . 1]" 1
758 1 51 GLN QE 1 79 ARG QD . . 6.370 3.426 2.147 5.544 . 0 0 "[ . 1]" 1
759 1 51 GLN QE 1 79 ARG QG . . 6.000 3.518 2.149 4.712 . 0 0 "[ . 1]" 1
760 1 51 GLN QE 1 86 LEU QD . . 6.140 3.063 2.139 4.431 . 0 0 "[ . 1]" 1
761 1 51 GLN QE 1 89 ILE QG . . 6.240 4.748 2.609 6.966 0.726 4 1 "[ +. 1]" 1
762 1 51 GLN HE21 1 79 ARG HG2 . . 6.250 4.871 2.200 6.240 . 0 0 "[ . 1]" 1
763 1 51 GLN HE21 1 79 ARG HG3 . . 6.250 5.302 2.503 6.732 0.482 4 0 "[ . 1]" 1
764 1 51 GLN HE22 1 79 ARG HG2 . . 6.250 4.265 2.883 5.458 . 0 0 "[ . 1]" 1
765 1 51 GLN HE22 1 79 ARG HG3 . . 6.250 4.612 3.244 6.047 . 0 0 "[ . 1]" 1
766 1 51 GLN QG 1 89 ILE MD . . 6.580 3.943 3.467 4.179 . 0 0 "[ . 1]" 1
767 1 51 GLN HG2 1 52 ALA H . . 4.500 4.247 3.783 4.725 0.225 10 0 "[ . 1]" 1
768 1 51 GLN HG2 1 86 LEU MD1 . . 4.700 3.412 2.228 4.614 . 0 0 "[ . 1]" 1
769 1 51 GLN HG2 1 86 LEU MD2 . . 4.700 3.429 2.364 4.702 0.002 3 0 "[ . 1]" 1
770 1 51 GLN HG3 1 52 ALA H . . 4.500 3.392 2.217 4.698 0.198 8 0 "[ . 1]" 1
771 1 51 GLN HG3 1 86 LEU MD1 . . 4.700 3.395 2.218 4.637 . 0 0 "[ . 1]" 1
772 1 51 GLN HG3 1 86 LEU MD2 . . 4.700 3.524 2.373 4.578 . 0 0 "[ . 1]" 1
773 1 52 ALA H 1 52 ALA MB . . 3.400 2.797 2.558 2.959 . 0 0 "[ . 1]" 1
774 1 52 ALA H 1 53 LYS H . . 4.400 3.905 2.824 4.383 . 0 0 "[ . 1]" 1
775 1 52 ALA H 1 53 LYS QB . . 6.500 5.609 5.041 5.828 . 0 0 "[ . 1]" 1
776 1 52 ALA MB 1 53 LYS H . . 4.000 2.310 1.889 3.759 . 0 0 "[ . 1]" 1
777 1 53 LYS H 1 53 LYS QB . . 3.700 2.951 2.715 3.519 . 0 0 "[ . 1]" 1
778 1 53 LYS H 1 53 LYS HG2 . . 4.500 4.697 3.224 5.231 0.731 7 4 "[ *.-+* 1]" 1
779 1 53 LYS H 1 53 LYS HG3 . . 4.500 4.486 2.935 5.175 0.675 9 1 "[ . +1]" 1
780 1 53 LYS H 1 54 ALA H . . 4.400 3.855 3.235 4.408 0.008 10 0 "[ . 1]" 1
781 1 53 LYS H 1 56 PHE H . . 4.400 3.640 3.080 4.677 0.277 10 0 "[ . 1]" 1
782 1 53 LYS H 1 56 PHE QB . . 6.380 3.730 2.920 4.011 . 0 0 "[ . 1]" 1
783 1 53 LYS HA 1 54 ALA H . . 3.000 3.053 2.234 3.516 0.516 6 1 "[ .+ 1]" 1
784 1 53 LYS HA 1 54 ALA HA . . 4.500 4.490 4.383 4.631 0.131 6 0 "[ . 1]" 1
785 1 53 LYS HA 1 55 GLU H . . 4.500 4.789 4.324 5.166 0.666 2 1 "[ + . 1]" 1
786 1 53 LYS QB 1 54 ALA H . . 6.500 2.252 1.915 3.398 . 0 0 "[ . 1]" 1
787 1 53 LYS QB 1 54 ALA MB . . 6.500 3.564 3.226 3.697 . 0 0 "[ . 1]" 1
788 1 53 LYS QB 1 55 GLU H . . 6.500 3.699 2.901 4.830 . 0 0 "[ . 1]" 1
789 1 53 LYS QB 1 81 PRO QD . . 6.380 5.670 4.791 6.314 . 0 0 "[ . 1]" 1
790 1 53 LYS QD 1 54 ALA H . . 6.380 3.638 2.010 5.375 . 0 0 "[ . 1]" 1
791 1 53 LYS QD 1 79 ARG QD . . 6.380 4.475 3.279 5.675 . 0 0 "[ . 1]" 1
792 1 53 LYS QE 1 80 HIS HA . . 6.500 6.364 5.192 7.088 0.588 2 2 "[-+ . 1]" 1
793 1 53 LYS QG 1 57 TYR QE . . 6.510 5.128 3.350 6.881 0.371 5 0 "[ . 1]" 1
794 1 53 LYS O 1 56 PHE H . . 2.400 3.407 2.249 4.286 1.886 6 8 "[*****+* -1]" 1
795 1 54 ALA H 1 54 ALA MB . . 3.400 2.459 2.181 2.987 . 0 0 "[ . 1]" 1
796 1 54 ALA H 1 55 GLU H . . 4.400 2.808 1.967 3.857 . 0 0 "[ . 1]" 1
797 1 54 ALA HA 1 57 TYR QD . . 5.940 3.615 2.695 4.329 . 0 0 "[ . 1]" 1
798 1 54 ALA HA 1 57 TYR QE . . 6.630 3.131 2.534 5.283 . 0 0 "[ . 1]" 1
799 1 54 ALA MB 1 55 GLU H . . 4.000 2.625 2.153 2.996 . 0 0 "[ . 1]" 1
800 1 54 ALA MB 1 55 GLU HA . . 4.700 3.918 3.749 4.030 . 0 0 "[ . 1]" 1
801 1 54 ALA MB 1 55 GLU QB . . 6.500 4.125 3.777 4.518 . 0 0 "[ . 1]" 1
802 1 54 ALA MB 1 56 PHE H . . 5.600 4.571 4.345 4.793 . 0 0 "[ . 1]" 1
803 1 54 ALA MB 1 57 TYR H . . 4.700 4.998 4.546 5.516 0.816 10 3 "[ - * +]" 1
804 1 54 ALA MB 1 57 TYR QD . . 6.870 4.274 3.290 4.851 . 0 0 "[ . 1]" 1
805 1 54 ALA MB 1 57 TYR QE . . 6.860 3.707 2.819 6.021 . 0 0 "[ . 1]" 1
806 1 54 ALA O 1 57 TYR H . . 2.400 2.680 2.178 3.237 0.837 10 4 "[ *-* +]" 1
807 1 55 GLU H 1 55 GLU QG . . 4.500 3.507 2.004 4.035 . 0 0 "[ . 1]" 1
808 1 55 GLU H 1 56 PHE H . . 5.100 2.940 2.723 3.310 . 0 0 "[ . 1]" 1
809 1 55 GLU H 1 57 TYR H . . 4.700 4.982 4.684 5.332 0.632 6 1 "[ .+ 1]" 1
810 1 55 GLU H 1 57 TYR QD . . 6.640 5.645 4.318 6.221 . 0 0 "[ . 1]" 1
811 1 55 GLU HA 1 57 TYR H . . 4.500 4.474 3.637 5.178 0.678 8 2 "[ .- + 1]" 1
812 1 55 GLU HA 1 58 SER H . . 4.500 3.869 3.282 5.045 0.545 8 1 "[ . + 1]" 1
813 1 55 GLU HA 1 58 SER HB2 . . 4.500 3.482 2.361 5.206 0.706 5 2 "[ + - 1]" 1
814 1 55 GLU HA 1 58 SER HB3 . . 4.500 3.911 3.288 4.902 0.402 7 0 "[ . 1]" 1
815 1 55 GLU HA 1 59 GLU H . . 4.500 4.062 3.549 5.337 0.837 2 1 "[ + . 1]" 1
816 1 55 GLU HA 1 59 GLU QG . . 4.500 3.811 2.619 4.893 0.393 2 0 "[ . 1]" 1
817 1 55 GLU QB 1 58 SER H . . 6.500 5.229 4.831 5.976 . 0 0 "[ . 1]" 1
818 1 55 GLU QG 1 56 PHE H . . 4.500 3.824 3.249 4.778 0.278 10 0 "[ . 1]" 1
819 1 55 GLU QG 1 57 TYR H . . 6.380 5.498 4.484 5.916 . 0 0 "[ . 1]" 1
820 1 56 PHE H 1 56 PHE HB2 . . 3.800 2.246 2.152 2.409 . 0 0 "[ . 1]" 1
821 1 56 PHE H 1 56 PHE HB3 . . 3.800 2.623 2.378 2.739 . 0 0 "[ . 1]" 1
822 1 56 PHE H 1 57 TYR H . . 4.400 3.212 2.873 3.404 . 0 0 "[ . 1]" 1
823 1 56 PHE H 1 57 TYR QD . . 5.940 4.466 3.441 4.900 . 0 0 "[ . 1]" 1
824 1 56 PHE H 1 58 SER H . . 4.400 4.507 4.023 5.087 0.687 10 2 "[ - +]" 1
825 1 56 PHE HA 1 61 LEU QD . . 4.670 3.025 2.249 3.599 . 0 0 "[ . 1]" 1
826 1 56 PHE QB 1 57 TYR QD . . 6.520 2.985 2.489 4.523 . 0 0 "[ . 1]" 1
827 1 56 PHE HB2 1 57 TYR H . . 4.500 3.895 3.502 4.605 0.105 5 0 "[ . 1]" 1
828 1 56 PHE HB2 1 57 TYR QE . . 6.630 5.425 4.272 6.173 . 0 0 "[ . 1]" 1
829 1 56 PHE HB3 1 57 TYR H . . 4.500 2.824 2.039 4.323 . 0 0 "[ . 1]" 1
830 1 56 PHE HB3 1 57 TYR QE . . 6.630 4.093 3.098 4.843 . 0 0 "[ . 1]" 1
831 1 56 PHE QD 1 57 TYR H . . 5.620 3.857 2.893 4.917 . 0 0 "[ . 1]" 1
832 1 56 PHE QD 1 57 TYR HA . . 5.620 4.445 3.449 5.379 . 0 0 "[ . 1]" 1
833 1 56 PHE QD 1 57 TYR QD . . 7.760 3.208 2.373 5.244 . 0 0 "[ . 1]" 1
834 1 56 PHE QD 1 57 TYR QE . . 9.010 4.507 3.592 5.070 . 0 0 "[ . 1]" 1
835 1 56 PHE QD 1 61 LEU QD . . 6.850 2.782 2.462 3.051 . 0 0 "[ . 1]" 1
836 1 56 PHE QD 1 74 ALA MB . . 6.850 3.151 2.644 3.714 . 0 0 "[ . 1]" 1
837 1 56 PHE QD 1 77 VAL MG1 . . 6.850 2.743 2.244 4.195 . 0 0 "[ . 1]" 1
838 1 56 PHE QD 1 77 VAL MG2 . . 6.850 3.158 2.283 4.212 . 0 0 "[ . 1]" 1
839 1 56 PHE QE 1 61 LEU QD . . 6.850 2.737 2.584 3.379 . 0 0 "[ . 1]" 1
840 1 56 PHE QE 1 74 ALA MB . . 6.850 3.288 2.734 4.090 . 0 0 "[ . 1]" 1
841 1 56 PHE QE 1 77 VAL MG1 . . 6.850 2.984 2.330 3.921 . 0 0 "[ . 1]" 1
842 1 56 PHE QE 1 77 VAL QG . . 6.890 2.747 2.316 3.786 . 0 0 "[ . 1]" 1
843 1 56 PHE QE 1 77 VAL MG2 . . 6.850 3.966 2.636 5.119 . 0 0 "[ . 1]" 1
844 1 56 PHE QE 1 86 LEU QD . . 6.420 4.866 4.241 5.239 . 0 0 "[ . 1]" 1
845 1 56 PHE QE 1 89 ILE MD . . 6.150 3.363 2.712 4.506 . 0 0 "[ . 1]" 1
846 1 56 PHE QE 1 89 ILE MG . . 6.850 2.916 2.366 3.789 . 0 0 "[ . 1]" 1
847 1 56 PHE HZ 1 61 LEU QD . . 4.700 2.965 2.650 3.817 . 0 0 "[ . 1]" 1
848 1 56 PHE HZ 1 74 ALA MB . . 6.000 4.953 4.456 5.954 . 0 0 "[ . 1]" 1
849 1 56 PHE HZ 1 77 VAL QG . . 5.500 4.569 3.842 5.693 0.193 7 0 "[ . 1]" 1
850 1 56 PHE HZ 1 86 LEU QD . . 6.270 5.214 4.765 5.860 . 0 0 "[ . 1]" 1
851 1 56 PHE HZ 1 89 ILE MD . . 4.700 4.230 2.522 5.662 0.962 7 1 "[ . + 1]" 1
852 1 56 PHE HZ 1 89 ILE MG . . 4.700 3.984 3.109 4.877 0.177 7 0 "[ . 1]" 1
853 1 57 TYR H 1 57 TYR QE . . 6.630 4.493 3.779 5.963 . 0 0 "[ . 1]" 1
854 1 57 TYR H 1 58 SER H . . 4.400 2.608 1.985 3.443 . 0 0 "[ . 1]" 1
855 1 57 TYR H 1 58 SER HA . . 4.500 4.928 4.403 5.476 0.976 8 4 "[ ** .- + 1]" 1
856 1 57 TYR H 1 74 ALA MB . . 6.000 4.684 4.138 5.786 . 0 0 "[ . 1]" 1
857 1 57 TYR HA 1 59 GLU H . . 4.500 4.637 3.470 5.027 0.527 5 2 "[ + -]" 1
858 1 57 TYR HA 1 74 ALA H . . 4.500 5.492 4.462 5.911 1.411 9 9 "[***-* **+*]" 1
859 1 57 TYR HA 1 74 ALA MB . . 4.000 3.282 2.551 4.126 0.126 6 0 "[ . 1]" 1
860 1 57 TYR QB 1 58 SER HA . . 6.380 4.304 3.715 4.793 . 0 0 "[ . 1]" 1
861 1 57 TYR QB 1 74 ALA MB . . 6.580 2.892 2.047 5.073 . 0 0 "[ . 1]" 1
862 1 57 TYR HB2 1 58 SER H . . 4.500 3.663 2.113 4.489 . 0 0 "[ . 1]" 1
863 1 57 TYR HB3 1 58 SER H . . 4.500 4.089 2.678 4.636 0.136 2 0 "[ . 1]" 1
864 1 57 TYR QD 1 74 ALA MB . . 6.870 3.349 2.544 4.159 . 0 0 "[ . 1]" 1
865 1 57 TYR QD 1 77 VAL QG . . 6.430 2.716 2.030 3.773 . 0 0 "[ . 1]" 1
866 1 57 TYR QE 1 77 VAL HB . . 6.630 4.539 2.756 5.066 . 0 0 "[ . 1]" 1
867 1 57 TYR QE 1 77 VAL MG1 . . 6.860 3.765 2.459 5.063 . 0 0 "[ . 1]" 1
868 1 57 TYR QE 1 77 VAL QG . . 6.900 2.426 2.122 2.731 . 0 0 "[ . 1]" 1
869 1 57 TYR QE 1 77 VAL MG2 . . 6.860 2.741 2.133 4.395 . 0 0 "[ . 1]" 1
870 1 58 SER H 1 58 SER QB . . 3.910 2.542 2.213 2.895 . 0 0 "[ . 1]" 1
871 1 58 SER H 1 59 GLU H . . 4.400 2.623 2.278 3.106 . 0 0 "[ . 1]" 1
872 1 58 SER H 1 59 GLU HA . . 4.500 5.173 4.570 5.596 1.096 1 7 "[+ ***- **]" 1
873 1 58 SER H 1 59 GLU QB . . 6.380 4.806 4.267 5.374 . 0 0 "[ . 1]" 1
874 1 58 SER H 1 59 GLU QG . . 4.500 4.039 3.277 4.544 0.044 1 0 "[ . 1]" 1
875 1 58 SER QB 1 59 GLU QG . . 6.320 3.148 2.355 3.718 . 0 0 "[ . 1]" 1
876 1 58 SER HB2 1 59 GLU H . . 4.500 3.044 2.242 3.866 . 0 0 "[ . 1]" 1
877 1 58 SER HB2 1 59 GLU QG . . 6.250 3.709 2.440 4.489 . 0 0 "[ . 1]" 1
878 1 58 SER HB3 1 59 GLU H . . 4.500 3.325 2.303 4.384 . 0 0 "[ . 1]" 1
879 1 58 SER HB3 1 59 GLU QG . . 6.250 4.024 2.521 5.122 . 0 0 "[ . 1]" 1
880 1 59 GLU H 1 59 GLU HB2 . . 3.800 3.085 2.456 3.854 0.054 2 0 "[ . 1]" 1
881 1 59 GLU H 1 59 GLU HB3 . . 3.800 3.207 2.687 3.642 . 0 0 "[ . 1]" 1
882 1 59 GLU H 1 59 GLU QG . . 3.800 2.164 1.981 2.416 . 0 0 "[ . 1]" 1
883 1 59 GLU H 1 60 VAL H . . 4.400 2.839 1.960 3.399 . 0 0 "[ . 1]" 1
884 1 59 GLU H 1 60 VAL QG . . 4.500 4.747 4.419 5.186 0.686 3 3 "[ +*.- 1]" 1
885 1 59 GLU H 1 61 LEU QD . . 6.270 4.676 4.040 5.000 . 0 0 "[ . 1]" 1
886 1 59 GLU HA 1 60 VAL H . . 3.000 3.121 2.739 3.410 0.410 10 0 "[ . 1]" 1
887 1 59 GLU HA 1 73 LYS QE . . 6.380 5.816 4.558 7.343 0.963 3 1 "[ + . 1]" 1
888 1 59 GLU QG 1 60 VAL H . . 4.500 3.939 3.192 4.529 0.029 9 0 "[ . 1]" 1
889 1 60 VAL H 1 60 VAL HA . . 2.400 2.211 2.146 2.344 . 0 0 "[ . 1]" 1
890 1 60 VAL H 1 60 VAL HB . . 3.800 3.555 3.185 3.856 0.056 5 0 "[ . 1]" 1
891 1 60 VAL H 1 60 VAL QG . . 4.200 2.851 2.102 3.375 . 0 0 "[ . 1]" 1
892 1 60 VAL H 1 61 LEU H . . 4.400 4.294 3.501 4.562 0.162 5 0 "[ . 1]" 1
893 1 60 VAL H 1 61 LEU QD . . 5.300 3.675 2.904 4.400 . 0 0 "[ . 1]" 1
894 1 60 VAL H 1 73 LYS QE . . 6.380 4.351 2.708 5.813 . 0 0 "[ . 1]" 1
895 1 60 VAL H 1 73 LYS QG . . 6.380 4.077 3.155 5.979 . 0 0 "[ . 1]" 1
896 1 60 VAL HA 1 61 LEU H . . 2.700 2.411 2.213 2.596 . 0 0 "[ . 1]" 1
897 1 60 VAL HA 1 72 VAL H . . 4.500 5.355 4.898 5.756 1.256 9 9 "[***-** *+*]" 1
898 1 60 VAL HA 1 73 LYS HA . . 4.500 2.862 2.404 3.600 . 0 0 "[ . 1]" 1
899 1 60 VAL HB 1 61 LEU H . . 4.500 3.656 2.106 4.320 . 0 0 "[ . 1]" 1
900 1 60 VAL QG 1 61 LEU H . . 5.560 2.430 1.989 3.793 . 0 0 "[ . 1]" 1
901 1 60 VAL QG 1 71 LYS QB . . 6.140 3.710 3.174 4.606 . 0 0 "[ . 1]" 1
902 1 60 VAL QG 1 72 VAL H . . 5.500 3.871 3.387 4.974 . 0 0 "[ . 1]" 1
903 1 60 VAL QG 1 73 LYS QB . . 6.140 3.413 2.548 4.587 . 0 0 "[ . 1]" 1
904 1 60 VAL QG 1 73 LYS QD . . 7.060 3.380 2.293 4.209 . 0 0 "[ . 1]" 1
905 1 61 LEU H 1 61 LEU QD . . 4.700 2.605 1.759 3.489 . 0 0 "[ . 1]" 1
906 1 61 LEU H 1 61 LEU HG . . 3.800 2.932 2.175 3.700 . 0 0 "[ . 1]" 1
907 1 61 LEU H 1 62 THR H . . 4.400 4.442 4.361 4.685 0.285 7 0 "[ . 1]" 1
908 1 61 LEU H 1 71 LYS HA . . 4.500 4.984 4.561 6.275 1.775 7 2 "[ . + -1]" 1
909 1 61 LEU H 1 71 LYS QG . . 6.500 5.314 4.229 6.590 0.090 2 0 "[ . 1]" 1
910 1 61 LEU H 1 72 VAL H . . 4.400 3.499 3.082 4.913 0.513 7 1 "[ . + 1]" 1
911 1 61 LEU H 1 72 VAL QG . . 5.500 3.611 3.300 4.612 . 0 0 "[ . 1]" 1
912 1 61 LEU H 1 72 VAL O . . 2.400 2.249 1.888 3.403 1.003 7 1 "[ . + 1]" 1
913 1 61 LEU H 1 73 LYS HA . . 4.500 3.436 3.137 3.783 . 0 0 "[ . 1]" 1
914 1 61 LEU H 1 94 ALA MB . . 4.700 4.368 3.989 5.172 0.472 7 0 "[ . 1]" 1
915 1 61 LEU QB 1 62 THR HA . . 6.380 4.303 3.989 4.539 . 0 0 "[ . 1]" 1
916 1 61 LEU QB 1 72 VAL H . . 6.380 4.458 3.473 5.088 . 0 0 "[ . 1]" 1
917 1 61 LEU QB 1 72 VAL QG . . 6.210 3.060 1.901 4.072 . 0 0 "[ . 1]" 1
918 1 61 LEU QB 1 91 PHE HZ . . 6.380 5.851 4.960 6.782 0.402 1 0 "[ . 1]" 1
919 1 61 LEU HB2 1 62 THR H . . 4.500 2.702 2.188 3.888 . 0 0 "[ . 1]" 1
920 1 61 LEU HB2 1 72 VAL QG . . 6.820 3.213 2.063 4.266 . 0 0 "[ . 1]" 1
921 1 61 LEU HB3 1 62 THR H . . 4.500 3.305 2.332 3.747 . 0 0 "[ . 1]" 1
922 1 61 LEU HB3 1 72 VAL QG . . 6.820 4.013 2.149 5.153 . 0 0 "[ . 1]" 1
923 1 61 LEU QD 1 62 THR H . . 4.700 3.562 3.037 3.994 . 0 0 "[ . 1]" 1
924 1 61 LEU QD 1 63 ILE MD . . 6.270 3.663 3.008 4.448 . 0 0 "[ . 1]" 1
925 1 61 LEU QD 1 73 LYS H . . 6.270 3.943 3.362 4.617 . 0 0 "[ . 1]" 1
926 1 61 LEU QD 1 73 LYS HA . . 4.700 2.643 2.159 3.500 . 0 0 "[ . 1]" 1
927 1 61 LEU QD 1 74 ALA H . . 4.700 3.565 2.753 4.373 . 0 0 "[ . 1]" 1
928 1 61 LEU QD 1 74 ALA MB . . 6.570 2.299 1.887 3.345 . 0 0 "[ . 1]" 1
929 1 61 LEU QD 1 91 PHE QD . . 6.850 2.632 2.256 3.240 . 0 0 "[ . 1]" 1
930 1 61 LEU QD 1 91 PHE QE . . 6.420 2.262 2.124 2.482 . 0 0 "[ . 1]" 1
931 1 61 LEU QD 1 91 PHE HZ . . 6.270 3.985 3.799 4.372 . 0 0 "[ . 1]" 1
932 1 61 LEU HG 1 62 THR H . . 4.500 4.275 3.300 4.973 0.473 7 0 "[ . 1]" 1
933 1 61 LEU HG 1 72 VAL QG . . 5.500 2.986 2.024 4.300 . 0 0 "[ . 1]" 1
934 1 61 LEU HG 1 74 ALA H . . 4.500 5.584 3.999 6.559 2.059 1 9 [+***.****-] 1
935 1 61 LEU HG 1 91 PHE QE . . 5.620 4.700 3.251 5.426 . 0 0 "[ . 1]" 1
936 1 61 LEU O 1 72 VAL H . . 2.400 1.964 1.915 2.033 . 0 0 "[ . 1]" 1
937 1 62 THR H 1 62 THR HB . . 3.800 2.715 2.579 2.818 . 0 0 "[ . 1]" 1
938 1 62 THR H 1 63 ILE H . . 4.400 4.269 4.130 4.460 0.060 7 0 "[ . 1]" 1
939 1 62 THR H 1 72 VAL QG . . 5.500 3.906 3.191 4.576 . 0 0 "[ . 1]" 1
940 1 62 THR HA 1 63 ILE H . . 2.700 2.171 2.129 2.227 . 0 0 "[ . 1]" 1
941 1 62 THR HA 1 70 ILE H . . 4.500 4.997 4.794 5.363 0.863 5 4 "[* + *- 1]" 1
942 1 62 THR HA 1 70 ILE MG . . 4.700 5.074 4.858 5.310 0.610 4 4 "[ -+. **1]" 1
943 1 62 THR HA 1 71 LYS H . . 4.500 4.675 4.528 4.948 0.448 9 0 "[ . 1]" 1
944 1 62 THR HA 1 71 LYS HA . . 3.800 2.337 2.172 2.609 . 0 0 "[ . 1]" 1
945 1 62 THR HA 1 71 LYS QG . . 6.500 3.799 3.264 5.314 . 0 0 "[ . 1]" 1
946 1 62 THR HA 1 72 VAL H . . 4.500 3.006 2.800 3.528 . 0 0 "[ . 1]" 1
947 1 62 THR HA 1 72 VAL QG . . 5.500 2.970 2.487 3.534 . 0 0 "[ . 1]" 1
948 1 62 THR HB 1 63 ILE H . . 4.500 4.236 3.990 4.372 . 0 0 "[ . 1]" 1
949 1 62 THR MG 1 63 ILE H . . 4.000 2.774 2.290 3.083 . 0 0 "[ . 1]" 1
950 1 62 THR MG 1 69 GLU H . . 4.700 4.716 4.500 4.945 0.245 7 0 "[ . 1]" 1
951 1 62 THR MG 1 69 GLU HA . . 4.700 2.680 2.414 2.937 . 0 0 "[ . 1]" 1
952 1 62 THR MG 1 69 GLU HG2 . . 4.700 3.095 2.369 4.780 0.080 5 0 "[ . 1]" 1
953 1 62 THR MG 1 69 GLU HG3 . . 4.700 3.984 3.139 4.433 . 0 0 "[ . 1]" 1
954 1 62 THR MG 1 70 ILE H . . 4.700 3.512 3.095 3.782 . 0 0 "[ . 1]" 1
955 1 62 THR MG 1 71 LYS H . . 4.700 3.919 3.456 4.600 . 0 0 "[ . 1]" 1
956 1 62 THR MG 1 71 LYS QE . . 6.500 4.013 2.311 4.939 . 0 0 "[ . 1]" 1
957 1 63 ILE H 1 63 ILE HB . . 3.800 2.576 2.268 2.688 . 0 0 "[ . 1]" 1
958 1 63 ILE H 1 63 ILE MD . . 4.700 3.771 3.151 4.151 . 0 0 "[ . 1]" 1
959 1 63 ILE H 1 63 ILE QG . . 4.500 2.535 2.263 2.882 . 0 0 "[ . 1]" 1
960 1 63 ILE H 1 64 VAL QG . . 5.500 4.734 4.557 4.882 . 0 0 "[ . 1]" 1
961 1 63 ILE H 1 69 GLU HA . . 4.500 4.320 4.060 4.638 0.138 6 0 "[ . 1]" 1
962 1 63 ILE H 1 70 ILE H . . 4.400 3.541 3.289 3.750 . 0 0 "[ . 1]" 1
963 1 63 ILE H 1 70 ILE O . . 2.400 1.959 1.909 2.043 . 0 0 "[ . 1]" 1
964 1 63 ILE H 1 71 LYS H . . 5.000 4.828 4.750 4.965 . 0 0 "[ . 1]" 1
965 1 63 ILE H 1 71 LYS HA . . 4.500 3.569 3.295 3.751 . 0 0 "[ . 1]" 1
966 1 63 ILE H 1 72 VAL QG . . 5.500 2.945 2.368 3.225 . 0 0 "[ . 1]" 1
967 1 63 ILE HB 1 64 VAL H . . 4.500 4.250 4.135 4.472 . 0 0 "[ . 1]" 1
968 1 63 ILE MD 1 64 VAL H . . 4.700 4.977 3.493 5.344 0.644 3 7 "[ *+-* ** *]" 1
969 1 63 ILE MD 1 72 VAL HB . . 4.700 4.072 3.733 5.610 0.910 6 1 "[ .+ 1]" 1
970 1 63 ILE MD 1 72 VAL QG . . 4.700 2.139 1.895 3.366 . 0 0 "[ . 1]" 1
971 1 63 ILE MD 1 91 PHE QD . . 6.850 2.870 2.674 3.377 . 0 0 "[ . 1]" 1
972 1 63 ILE MD 1 91 PHE QE . . 6.850 2.837 2.645 3.014 . 0 0 "[ . 1]" 1
973 1 63 ILE MD 1 91 PHE HZ . . 4.700 3.354 2.837 3.741 . 0 0 "[ . 1]" 1
974 1 63 ILE QG 1 64 VAL H . . 4.500 4.422 4.298 4.920 0.420 9 0 "[ . 1]" 1
975 1 63 ILE QG 1 72 VAL QG . . 6.210 2.121 1.901 2.249 . 0 0 "[ . 1]" 1
976 1 63 ILE QG 1 91 PHE QD . . 6.500 4.010 3.257 4.317 . 0 0 "[ . 1]" 1
977 1 63 ILE MG 1 64 VAL H . . 4.000 2.811 2.619 3.004 . 0 0 "[ . 1]" 1
978 1 63 ILE MG 1 65 VAL H . . 4.700 3.356 3.131 3.727 . 0 0 "[ . 1]" 1
979 1 63 ILE MG 1 65 VAL HA . . 4.700 3.440 3.294 3.666 . 0 0 "[ . 1]" 1
980 1 63 ILE MG 1 65 VAL HB . . 4.700 3.872 2.325 4.339 . 0 0 "[ . 1]" 1
981 1 63 ILE MG 1 65 VAL MG1 . . 6.700 3.297 1.961 4.079 . 0 0 "[ . 1]" 1
982 1 63 ILE MG 1 65 VAL MG2 . . 6.700 2.710 1.967 3.828 . 0 0 "[ . 1]" 1
983 1 63 ILE MG 1 70 ILE H . . 4.700 4.364 3.717 4.560 . 0 0 "[ . 1]" 1
984 1 63 ILE MG 1 70 ILE QG . . 6.580 4.451 3.454 5.205 . 0 0 "[ . 1]" 1
985 1 63 ILE MG 1 72 VAL QG . . 6.260 3.909 3.655 4.015 . 0 0 "[ . 1]" 1
986 1 63 ILE O 1 70 ILE H . . 2.400 2.001 1.931 2.143 . 0 0 "[ . 1]" 1
987 1 64 VAL H 1 64 VAL HB . . 3.800 2.468 2.449 2.490 . 0 0 "[ . 1]" 1
988 1 64 VAL H 1 64 VAL QG . . 4.200 2.373 2.235 2.485 . 0 0 "[ . 1]" 1
989 1 64 VAL HA 1 66 ASP H . . 3.800 4.805 4.340 5.235 1.435 9 10 [*-******+*] 1
990 1 64 VAL HA 1 68 LYS H . . 4.500 4.290 3.052 4.894 0.394 6 0 "[ . 1]" 1
991 1 64 VAL HA 1 69 GLU HA . . 3.800 2.825 2.599 2.982 . 0 0 "[ . 1]" 1
992 1 64 VAL HA 1 70 ILE H . . 4.500 3.645 3.483 3.793 . 0 0 "[ . 1]" 1
993 1 64 VAL HB 1 65 VAL H . . 4.500 4.529 4.434 4.555 0.055 5 0 "[ . 1]" 1
994 1 64 VAL QG 1 65 VAL H . . 5.560 3.395 3.107 3.543 . 0 0 "[ . 1]" 1
995 1 64 VAL QG 1 67 GLY H . . 5.500 2.287 1.969 4.139 . 0 0 "[ . 1]" 1
996 1 64 VAL O 1 66 ASP H . . 2.400 2.644 2.085 3.294 0.894 6 3 "[ .+- *1]" 1
997 1 65 VAL H 1 65 VAL HB . . 3.800 2.888 2.495 3.806 0.006 7 0 "[ . 1]" 1
998 1 65 VAL H 1 65 VAL QG . . 4.200 2.229 1.978 2.417 . 0 0 "[ . 1]" 1
999 1 65 VAL H 1 66 ASP H . . 4.400 3.936 3.681 4.168 . 0 0 "[ . 1]" 1
1000 1 65 VAL H 1 67 GLY H . . 4.400 4.562 4.351 4.833 0.433 2 0 "[ . 1]" 1
1001 1 65 VAL H 1 68 LYS H . . 4.400 3.699 2.772 4.166 . 0 0 "[ . 1]" 1
1002 1 65 VAL H 1 68 LYS O . . 2.400 2.039 1.949 2.202 . 0 0 "[ . 1]" 1
1003 1 65 VAL H 1 69 GLU HA . . 4.500 3.921 3.730 4.172 . 0 0 "[ . 1]" 1
1004 1 65 VAL H 1 69 GLU QG . . 6.380 5.287 4.961 6.129 . 0 0 "[ . 1]" 1
1005 1 65 VAL H 1 70 ILE H . . 4.400 3.339 2.992 3.710 . 0 0 "[ . 1]" 1
1006 1 65 VAL H 1 70 ILE HB . . 4.500 4.346 3.951 4.673 0.173 6 0 "[ . 1]" 1
1007 1 65 VAL H 1 70 ILE QG . . 4.500 3.481 2.903 3.904 . 0 0 "[ . 1]" 1
1008 1 65 VAL HA 1 66 ASP H . . 2.700 2.273 2.144 2.427 . 0 0 "[ . 1]" 1
1009 1 65 VAL HA 1 67 GLY H . . 4.500 4.823 4.322 5.306 0.806 2 1 "[ + . 1]" 1
1010 1 65 VAL HA 1 68 LYS H . . 4.500 5.149 4.598 5.630 1.130 2 7 "[ + ****-*1]" 1
1011 1 65 VAL HB 1 66 ASP H . . 4.500 4.441 4.035 4.543 0.043 1 0 "[ . 1]" 1
1012 1 65 VAL QG 1 66 ASP H . . 5.500 3.508 3.176 3.826 . 0 0 "[ . 1]" 1
1013 1 65 VAL QG 1 66 ASP QB . . 6.140 3.352 3.022 4.122 . 0 0 "[ . 1]" 1
1014 1 65 VAL QG 1 67 GLY H . . 5.500 4.937 4.128 5.199 . 0 0 "[ . 1]" 1
1015 1 65 VAL QG 1 68 LYS H . . 5.560 4.114 3.485 4.501 . 0 0 "[ . 1]" 1
1016 1 65 VAL QG 1 68 LYS QE . . 7.060 4.567 3.322 5.406 . 0 0 "[ . 1]" 1
1017 1 65 VAL QG 1 70 ILE H . . 5.500 3.329 3.094 3.759 . 0 0 "[ . 1]" 1
1018 1 66 ASP H 1 66 ASP HA . . 2.700 2.244 2.224 2.267 . 0 0 "[ . 1]" 1
1019 1 66 ASP H 1 67 GLY H . . 4.400 3.154 2.932 3.989 . 0 0 "[ . 1]" 1
1020 1 66 ASP H 1 68 LYS H . . 4.400 4.545 4.069 4.801 0.401 2 0 "[ . 1]" 1
1021 1 66 ASP HA 1 68 LYS H . . 4.500 4.570 4.421 5.011 0.511 3 1 "[ + . 1]" 1
1022 1 66 ASP QB 1 67 GLY H . . 4.500 3.869 2.136 4.097 . 0 0 "[ . 1]" 1
1023 1 66 ASP QB 1 68 LYS H . . 4.500 4.203 3.764 4.751 0.251 1 0 "[ . 1]" 1
1024 1 67 GLY H 1 68 LYS H . . 4.400 3.211 2.635 3.628 . 0 0 "[ . 1]" 1
1025 1 67 GLY H 1 68 LYS QB . . 6.500 4.957 3.452 5.359 . 0 0 "[ . 1]" 1
1026 1 67 GLY QA 1 68 LYS HA . . 6.380 4.007 3.952 4.059 . 0 0 "[ . 1]" 1
1027 1 68 LYS H 1 68 LYS QB . . 3.700 2.470 2.152 2.786 . 0 0 "[ . 1]" 1
1028 1 68 LYS H 1 69 GLU H . . 4.400 4.303 3.861 4.529 0.129 4 0 "[ . 1]" 1
1029 1 68 LYS HA 1 69 GLU QG . . 6.380 4.024 3.714 4.927 . 0 0 "[ . 1]" 1
1030 1 68 LYS QB 1 69 GLU H . . 5.300 3.599 3.256 3.943 . 0 0 "[ . 1]" 1
1031 1 68 LYS QG 1 69 GLU H . . 6.500 3.873 3.017 4.369 . 0 0 "[ . 1]" 1
1032 1 69 GLU H 1 69 GLU HB2 . . 3.800 2.462 2.276 3.589 . 0 0 "[ . 1]" 1
1033 1 69 GLU H 1 69 GLU HB3 . . 3.800 3.479 2.830 3.577 . 0 0 "[ . 1]" 1
1034 1 69 GLU H 1 69 GLU HG2 . . 4.500 3.478 2.085 3.801 . 0 0 "[ . 1]" 1
1035 1 69 GLU H 1 69 GLU QG . . 4.650 2.484 2.007 3.337 . 0 0 "[ . 1]" 1
1036 1 69 GLU H 1 69 GLU HG3 . . 4.500 2.613 2.438 3.695 . 0 0 "[ . 1]" 1
1037 1 69 GLU H 1 70 ILE H . . 4.400 4.030 3.885 4.253 . 0 0 "[ . 1]" 1
1038 1 69 GLU QG 1 70 ILE H . . 6.380 4.443 4.333 4.659 . 0 0 "[ . 1]" 1
1039 1 70 ILE H 1 70 ILE HB . . 3.800 2.468 2.346 2.546 . 0 0 "[ . 1]" 1
1040 1 70 ILE H 1 70 ILE MD . . 4.700 3.601 3.133 3.977 . 0 0 "[ . 1]" 1
1041 1 70 ILE H 1 70 ILE QG . . 4.500 2.344 2.240 2.537 . 0 0 "[ . 1]" 1
1042 1 70 ILE H 1 71 LYS H . . 4.400 4.305 4.218 4.353 . 0 0 "[ . 1]" 1
1043 1 70 ILE HA 1 71 LYS H . . 2.700 2.171 2.136 2.203 . 0 0 "[ . 1]" 1
1044 1 70 ILE HB 1 71 LYS H . . 4.500 4.477 4.435 4.538 0.038 7 0 "[ . 1]" 1
1045 1 70 ILE QG 1 71 LYS H . . 6.380 4.570 4.093 4.959 . 0 0 "[ . 1]" 1
1046 1 70 ILE MG 1 71 LYS H . . 4.000 3.248 3.164 3.405 . 0 0 "[ . 1]" 1
1047 1 70 ILE MG 1 71 LYS QB . . 6.580 4.481 4.350 4.713 . 0 0 "[ . 1]" 1
1048 1 70 ILE MG 1 72 VAL H . . 4.700 4.641 4.241 4.835 0.135 6 0 "[ . 1]" 1
1049 1 70 ILE MG 1 72 VAL HA . . 4.700 4.392 4.240 4.524 . 0 0 "[ . 1]" 1
1050 1 70 ILE MG 1 72 VAL QG . . 6.260 2.148 1.962 2.252 . 0 0 "[ . 1]" 1
1051 1 70 ILE MG 1 93 ARG HB2 . . 4.700 5.112 4.716 5.609 0.909 7 4 "[** .-+ 1]" 1
1052 1 70 ILE MG 1 93 ARG HB3 . . 4.700 4.436 3.809 5.187 0.487 7 0 "[ . 1]" 1
1053 1 70 ILE MG 1 93 ARG QD . . 6.580 2.897 2.390 3.595 . 0 0 "[ . 1]" 1
1054 1 70 ILE MG 1 93 ARG QG . . 6.580 2.823 2.217 3.643 . 0 0 "[ . 1]" 1
1055 1 70 ILE MG 1 94 ALA H . . 4.700 4.577 4.244 4.858 0.158 7 0 "[ . 1]" 1
1056 1 71 LYS H 1 71 LYS QB . . 3.910 2.338 2.128 2.583 . 0 0 "[ . 1]" 1
1057 1 71 LYS H 1 71 LYS QE . . 6.500 4.136 3.257 4.799 . 0 0 "[ . 1]" 1
1058 1 71 LYS H 1 72 VAL H . . 4.400 4.564 4.450 4.602 0.202 10 0 "[ . 1]" 1
1059 1 71 LYS H 1 72 VAL QG . . 4.700 4.091 3.869 4.203 . 0 0 "[ . 1]" 1
1060 1 71 LYS H 1 94 ALA MB . . 4.700 4.765 4.499 4.990 0.290 9 0 "[ . 1]" 1
1061 1 71 LYS HA 1 71 LYS QD . . 4.500 3.661 2.387 4.534 0.034 2 0 "[ . 1]" 1
1062 1 71 LYS HA 1 72 VAL H . . 2.700 2.171 2.118 2.225 . 0 0 "[ . 1]" 1
1063 1 71 LYS HA 1 72 VAL QG . . 4.700 3.199 2.916 3.404 . 0 0 "[ . 1]" 1
1064 1 71 LYS HA 1 94 ALA MB . . 4.700 4.129 3.896 4.319 . 0 0 "[ . 1]" 1
1065 1 71 LYS QB 1 72 VAL H . . 4.500 3.280 2.986 3.819 . 0 0 "[ . 1]" 1
1066 1 71 LYS QB 1 72 VAL HA . . 6.380 4.351 4.151 4.830 . 0 0 "[ . 1]" 1
1067 1 71 LYS QB 1 94 ALA H . . 4.500 3.671 3.324 4.186 . 0 0 "[ . 1]" 1
1068 1 71 LYS QB 1 94 ALA MB . . 4.700 2.503 2.283 3.192 . 0 0 "[ . 1]" 1
1069 1 71 LYS QG 1 72 VAL H . . 6.500 3.751 2.769 4.216 . 0 0 "[ . 1]" 1
1070 1 71 LYS O 1 94 ALA H . . 2.400 2.018 1.950 2.124 . 0 0 "[ . 1]" 1
1071 1 72 VAL H 1 72 VAL QG . . 4.200 2.184 2.107 2.297 . 0 0 "[ . 1]" 1
1072 1 72 VAL H 1 94 ALA MB . . 4.700 3.483 3.227 3.673 . 0 0 "[ . 1]" 1
1073 1 72 VAL HA 1 73 LYS H . . 2.700 2.389 2.269 2.673 . 0 0 "[ . 1]" 1
1074 1 72 VAL HA 1 73 LYS HA . . 4.500 4.494 4.407 4.562 0.062 6 0 "[ . 1]" 1
1075 1 72 VAL HA 1 91 PHE QB . . 6.380 4.632 4.459 4.776 . 0 0 "[ . 1]" 1
1076 1 72 VAL HA 1 93 ARG H . . 4.500 4.610 4.521 4.735 0.235 10 0 "[ . 1]" 1
1077 1 72 VAL HA 1 93 ARG HA . . 4.500 2.405 2.132 2.620 . 0 0 "[ . 1]" 1
1078 1 72 VAL HA 1 94 ALA H . . 3.800 2.250 2.175 2.316 . 0 0 "[ . 1]" 1
1079 1 72 VAL HA 1 94 ALA HA . . 4.500 3.902 3.594 4.121 . 0 0 "[ . 1]" 1
1080 1 72 VAL HA 1 94 ALA MB . . 4.000 2.860 2.742 3.050 . 0 0 "[ . 1]" 1
1081 1 72 VAL HB 1 73 LYS H . . 3.800 2.440 2.046 2.735 . 0 0 "[ . 1]" 1
1082 1 72 VAL HB 1 73 LYS HA . . 4.500 4.525 4.156 4.828 0.328 8 0 "[ . 1]" 1
1083 1 72 VAL HB 1 91 PHE H . . 4.500 6.004 5.614 6.262 1.762 9 10 [*****-**+*] 1
1084 1 72 VAL HB 1 91 PHE HA . . 4.500 4.019 3.478 4.246 . 0 0 "[ . 1]" 1
1085 1 72 VAL HB 1 91 PHE QB . . 4.500 2.515 2.150 2.714 . 0 0 "[ . 1]" 1
1086 1 72 VAL HB 1 91 PHE QD . . 5.620 3.250 2.975 3.665 . 0 0 "[ . 1]" 1
1087 1 72 VAL HB 1 92 VAL H . . 4.500 3.006 2.578 4.161 . 0 0 "[ . 1]" 1
1088 1 72 VAL HB 1 93 ARG HA . . 4.500 3.879 3.353 4.160 . 0 0 "[ . 1]" 1
1089 1 72 VAL QG 1 73 LYS H . . 4.700 3.165 3.031 3.325 . 0 0 "[ . 1]" 1
1090 1 72 VAL QG 1 74 ALA H . . 5.500 3.614 2.826 5.225 . 0 0 "[ . 1]" 1
1091 1 72 VAL QG 1 91 PHE H . . 4.700 4.820 4.633 4.963 0.263 9 0 "[ . 1]" 1
1092 1 72 VAL QG 1 91 PHE HA . . 4.700 3.909 3.665 4.076 . 0 0 "[ . 1]" 1
1093 1 72 VAL QG 1 91 PHE QB . . 4.700 2.186 2.049 2.249 . 0 0 "[ . 1]" 1
1094 1 72 VAL QG 1 91 PHE QD . . 6.850 2.547 2.364 2.926 . 0 0 "[ . 1]" 1
1095 1 72 VAL QG 1 91 PHE QE . . 6.410 3.350 3.021 3.587 . 0 0 "[ . 1]" 1
1096 1 72 VAL QG 1 91 PHE HZ . . 5.500 4.586 4.185 5.002 . 0 0 "[ . 1]" 1
1097 1 72 VAL QG 1 92 VAL H . . 4.700 3.453 3.239 4.337 . 0 0 "[ . 1]" 1
1098 1 72 VAL QG 1 93 ARG H . . 5.500 3.597 3.179 3.887 . 0 0 "[ . 1]" 1
1099 1 72 VAL QG 1 93 ARG HA . . 5.560 2.237 2.147 2.460 . 0 0 "[ . 1]" 1
1100 1 72 VAL QG 1 94 ALA H . . 5.500 3.433 3.317 3.534 . 0 0 "[ . 1]" 1
1101 1 73 LYS H 1 91 PHE QB . . 4.500 4.382 3.513 4.893 0.393 4 0 "[ . 1]" 1
1102 1 73 LYS H 1 91 PHE QD . . 5.000 4.760 3.872 5.433 0.433 1 0 "[ . 1]" 1
1103 1 73 LYS H 1 92 VAL QG . . 5.500 3.476 2.665 4.150 . 0 0 "[ . 1]" 1
1104 1 73 LYS H 1 93 ARG HA . . 4.500 4.034 3.678 4.269 . 0 0 "[ . 1]" 1
1105 1 73 LYS H 1 94 ALA H . . 4.400 4.059 3.733 4.535 0.135 7 0 "[ . 1]" 1
1106 1 73 LYS H 1 94 ALA HA . . 4.500 4.091 3.130 4.466 . 0 0 "[ . 1]" 1
1107 1 73 LYS H 1 94 ALA MB . . 4.700 3.640 2.964 4.234 . 0 0 "[ . 1]" 1
1108 1 73 LYS HA 1 74 ALA MB . . 4.700 4.058 3.867 4.216 . 0 0 "[ . 1]" 1
1109 1 73 LYS HA 1 94 ALA HA . . 4.500 5.186 4.354 5.666 1.166 3 6 "[ +*-* * *]" 1
1110 1 73 LYS HA 1 94 ALA MB . . 4.700 3.999 3.220 4.571 . 0 0 "[ . 1]" 1
1111 1 73 LYS QB 1 74 ALA H . . 6.380 2.933 1.898 3.599 . 0 0 "[ . 1]" 1
1112 1 73 LYS QB 1 92 VAL H . . 4.500 4.531 4.179 5.060 0.560 4 1 "[ +. 1]" 1
1113 1 73 LYS QE 1 94 ALA MB . . 6.580 4.138 3.165 5.085 . 0 0 "[ . 1]" 1
1114 1 73 LYS QG 1 74 ALA H . . 6.380 4.221 3.586 4.710 . 0 0 "[ . 1]" 1
1115 1 74 ALA H 1 75 GLN H . . 4.400 4.071 3.365 4.619 0.219 4 0 "[ . 1]" 1
1116 1 74 ALA H 1 91 PHE QD . . 5.620 3.850 2.374 5.743 0.123 6 0 "[ . 1]" 1
1117 1 74 ALA HA 1 75 GLN H . . 2.700 2.309 2.132 2.717 0.017 4 0 "[ . 1]" 1
1118 1 74 ALA HA 1 76 ASP H . . 4.500 4.795 3.967 5.936 1.436 4 2 "[ -+. 1]" 1
1119 1 74 ALA HA 1 89 ILE MG . . 4.700 4.247 3.762 5.021 0.321 1 0 "[ . 1]" 1
1120 1 74 ALA HA 1 91 PHE HA . . 3.800 2.252 2.061 2.425 . 0 0 "[ . 1]" 1
1121 1 74 ALA HA 1 91 PHE QD . . 5.920 3.160 2.315 4.208 . 0 0 "[ . 1]" 1
1122 1 74 ALA HA 1 91 PHE QE . . 5.620 5.088 4.008 6.195 0.575 1 2 "[+ . -]" 1
1123 1 74 ALA HA 1 92 VAL H . . 4.500 2.573 2.061 3.427 . 0 0 "[ . 1]" 1
1124 1 74 ALA MB 1 75 GLN H . . 4.000 2.820 2.108 3.681 . 0 0 "[ . 1]" 1
1125 1 74 ALA MB 1 76 ASP H . . 4.700 4.617 3.559 5.797 1.097 3 1 "[ + . 1]" 1
1126 1 74 ALA MB 1 77 VAL H . . 4.700 4.436 2.741 5.348 0.648 7 1 "[ . + 1]" 1
1127 1 74 ALA MB 1 89 ILE MG . . 5.600 3.295 2.678 4.062 . 0 0 "[ . 1]" 1
1128 1 74 ALA MB 1 91 PHE HA . . 4.700 3.261 2.267 3.932 . 0 0 "[ . 1]" 1
1129 1 74 ALA MB 1 91 PHE QD . . 6.850 2.688 2.158 4.080 . 0 0 "[ . 1]" 1
1130 1 75 GLN H 1 76 ASP H . . 4.400 2.781 2.180 3.770 . 0 0 "[ . 1]" 1
1131 1 75 GLN H 1 76 ASP QB . . 6.500 4.818 4.363 5.581 . 0 0 "[ . 1]" 1
1132 1 75 GLN H 1 89 ILE MG . . 4.700 4.478 3.785 5.029 0.329 7 0 "[ . 1]" 1
1133 1 75 GLN H 1 91 PHE HA . . 3.800 3.105 2.093 3.569 . 0 0 "[ . 1]" 1
1134 1 75 GLN H 1 91 PHE QB . . 6.380 5.028 4.130 5.524 . 0 0 "[ . 1]" 1
1135 1 75 GLN H 1 91 PHE QD . . 5.620 4.858 3.973 5.748 0.128 6 0 "[ . 1]" 1
1136 1 75 GLN H 1 92 VAL H . . 4.400 3.701 2.631 4.352 . 0 0 "[ . 1]" 1
1137 1 75 GLN QB 1 76 ASP QB . . 6.500 3.619 3.328 4.074 . 0 0 "[ . 1]" 1
1138 1 75 GLN QB 1 90 ASP H . . 6.500 5.218 4.363 6.001 . 0 0 "[ . 1]" 1
1139 1 75 GLN QB 1 91 PHE HA . . 6.500 4.393 3.221 5.310 . 0 0 "[ . 1]" 1
1140 1 75 GLN QE 1 76 ASP QB . . 6.370 4.340 2.027 6.502 0.132 1 0 "[ . 1]" 1
1141 1 75 GLN QE 1 92 VAL QG . . 6.130 3.991 2.117 4.741 . 0 0 "[ . 1]" 1
1142 1 75 GLN QG 1 76 ASP H . . 6.500 3.810 3.268 4.320 . 0 0 "[ . 1]" 1
1143 1 75 GLN QG 1 76 ASP HA . . 6.500 5.508 4.237 5.965 . 0 0 "[ . 1]" 1
1144 1 75 GLN QG 1 91 PHE HA . . 6.500 5.551 5.094 6.332 . 0 0 "[ . 1]" 1
1145 1 75 GLN QG 1 92 VAL MG1 . . 6.500 3.175 2.132 4.345 . 0 0 "[ . 1]" 1
1146 1 75 GLN QG 1 92 VAL MG2 . . 6.500 2.708 2.105 3.409 . 0 0 "[ . 1]" 1
1147 1 76 ASP H 1 77 VAL H . . 4.400 3.904 3.336 4.363 . 0 0 "[ . 1]" 1
1148 1 76 ASP H 1 77 VAL QG . . 5.500 3.997 3.051 4.601 . 0 0 "[ . 1]" 1
1149 1 76 ASP H 1 89 ILE MG . . 6.200 5.127 4.232 6.455 0.255 3 0 "[ . 1]" 1
1150 1 76 ASP H 1 90 ASP H . . 4.400 4.100 3.178 4.735 0.335 3 0 "[ . 1]" 1
1151 1 76 ASP H 1 90 ASP QB . . 4.680 3.005 1.958 4.248 . 0 0 "[ . 1]" 1
1152 1 76 ASP HA 1 77 VAL H . . 2.700 2.303 2.132 2.535 . 0 0 "[ . 1]" 1
1153 1 76 ASP HA 1 90 ASP H . . 4.500 5.259 5.055 6.025 1.525 4 10 [***+*-****] 1
1154 1 76 ASP QB 1 78 GLN QE . . 6.370 4.670 3.607 6.756 0.386 2 0 "[ . 1]" 1
1155 1 77 VAL H 1 77 VAL MG1 . . 4.000 2.867 1.986 3.788 . 0 0 "[ . 1]" 1
1156 1 77 VAL H 1 77 VAL MG2 . . 4.000 2.377 1.984 3.804 . 0 0 "[ . 1]" 1
1157 1 77 VAL H 1 78 GLN H . . 4.400 4.263 3.890 4.593 0.193 3 0 "[ . 1]" 1
1158 1 77 VAL H 1 89 ILE HA . . 4.500 5.200 4.896 5.394 0.894 10 9 "[**-** ***+]" 1
1159 1 77 VAL HA 1 78 GLN H . . 2.700 2.214 2.127 2.314 . 0 0 "[ . 1]" 1
1160 1 77 VAL HA 1 89 ILE HA . . 3.800 2.553 2.330 2.859 . 0 0 "[ . 1]" 1
1161 1 77 VAL HA 1 89 ILE HB . . 4.500 4.995 4.628 5.467 0.967 4 5 "[ *+. * -*]" 1
1162 1 77 VAL HA 1 89 ILE QG . . 4.500 3.693 2.487 4.674 0.174 3 0 "[ . 1]" 1
1163 1 77 VAL HA 1 89 ILE MG . . 4.700 2.797 2.258 3.824 . 0 0 "[ . 1]" 1
1164 1 77 VAL HA 1 90 ASP H . . 3.800 3.107 2.087 3.615 . 0 0 "[ . 1]" 1
1165 1 77 VAL HB 1 78 GLN H . . 4.500 3.903 3.348 4.578 0.078 10 0 "[ . 1]" 1
1166 1 77 VAL HB 1 90 ASP H . . 4.500 5.257 3.846 6.228 1.728 1 7 "[+* *- ***]" 1
1167 1 77 VAL QG 1 79 ARG H . . 5.500 3.199 2.562 4.612 . 0 0 "[ . 1]" 1
1168 1 77 VAL QG 1 79 ARG HA . . 5.500 4.710 4.001 5.318 . 0 0 "[ . 1]" 1
1169 1 77 VAL QG 1 79 ARG QD . . 7.060 3.238 2.156 4.009 . 0 0 "[ . 1]" 1
1170 1 77 VAL QG 1 86 LEU QD . . 6.120 3.953 3.063 4.678 . 0 0 "[ . 1]" 1
1171 1 77 VAL QG 1 89 ILE HA . . 5.500 3.434 2.439 3.893 . 0 0 "[ . 1]" 1
1172 1 77 VAL QG 1 89 ILE HB . . 5.500 4.445 4.071 4.765 . 0 0 "[ . 1]" 1
1173 1 77 VAL QG 1 89 ILE QG . . 6.390 3.327 2.202 4.110 . 0 0 "[ . 1]" 1
1174 1 77 VAL QG 1 89 ILE MG . . 4.700 2.138 1.998 2.343 . 0 0 "[ . 1]" 1
1175 1 77 VAL QG 1 91 PHE QE . . 6.410 4.115 3.560 4.836 . 0 0 "[ . 1]" 1
1176 1 77 VAL MG1 1 78 GLN H . . 4.700 4.024 3.482 4.405 . 0 0 "[ . 1]" 1
1177 1 77 VAL MG1 1 86 LEU MD1 . . 7.840 5.549 3.439 7.015 . 0 0 "[ . 1]" 1
1178 1 77 VAL MG1 1 86 LEU MD2 . . 7.840 5.179 4.130 7.512 . 0 0 "[ . 1]" 1
1179 1 77 VAL MG1 1 89 ILE QG . . 6.450 3.682 2.281 4.723 . 0 0 "[ . 1]" 1
1180 1 77 VAL MG1 1 89 ILE MG . . 6.700 2.448 2.002 3.991 . 0 0 "[ . 1]" 1
1181 1 77 VAL MG2 1 78 GLN H . . 4.700 4.185 3.380 4.423 . 0 0 "[ . 1]" 1
1182 1 77 VAL MG2 1 86 LEU MD1 . . 7.840 5.874 4.768 7.643 . 0 0 "[ . 1]" 1
1183 1 77 VAL MG2 1 86 LEU MD2 . . 7.840 5.410 3.133 7.033 . 0 0 "[ . 1]" 1
1184 1 77 VAL MG2 1 89 ILE QG . . 6.450 4.579 2.206 5.585 . 0 0 "[ . 1]" 1
1185 1 77 VAL MG2 1 89 ILE MG . . 6.700 3.684 2.334 4.551 . 0 0 "[ . 1]" 1
1186 1 78 GLN H 1 87 GLN QB . . 6.380 4.999 4.691 5.458 . 0 0 "[ . 1]" 1
1187 1 78 GLN H 1 88 HIS H . . 4.400 3.833 3.480 4.322 . 0 0 "[ . 1]" 1
1188 1 78 GLN H 1 88 HIS QB . . 6.380 4.259 3.952 4.903 . 0 0 "[ . 1]" 1
1189 1 78 GLN H 1 88 HIS O . . 2.400 2.222 2.052 2.637 0.237 1 0 "[ . 1]" 1
1190 1 78 GLN H 1 89 ILE HA . . 4.500 2.782 2.488 3.191 . 0 0 "[ . 1]" 1
1191 1 78 GLN H 1 89 ILE MG . . 4.700 4.153 3.766 4.925 0.225 7 0 "[ . 1]" 1
1192 1 78 GLN HA 1 79 ARG H . . 2.700 2.422 2.131 2.540 . 0 0 "[ . 1]" 1
1193 1 78 GLN QB 1 88 HIS H . . 6.380 2.206 1.989 2.503 . 0 0 "[ . 1]" 1
1194 1 78 GLN QB 1 88 HIS HB2 . . 4.500 4.111 3.630 4.694 0.194 1 0 "[ . 1]" 1
1195 1 78 GLN QB 1 88 HIS HB3 . . 4.500 2.962 2.437 3.722 . 0 0 "[ . 1]" 1
1196 1 78 GLN QE 1 87 GLN QB . . 6.240 4.509 3.912 5.443 . 0 0 "[ . 1]" 1
1197 1 78 GLN QG 1 79 ARG H . . 6.500 4.272 2.984 4.878 . 0 0 "[ . 1]" 1
1198 1 78 GLN QG 1 88 HIS H . . 6.500 3.716 3.361 4.081 . 0 0 "[ . 1]" 1
1199 1 79 ARG H 1 80 HIS H . . 4.400 4.520 4.396 4.606 0.206 5 0 "[ . 1]" 1
1200 1 79 ARG H 1 86 LEU QD . . 6.270 4.154 3.663 5.083 . 0 0 "[ . 1]" 1
1201 1 79 ARG HA 1 80 HIS HA . . 4.500 4.502 4.408 4.616 0.116 3 0 "[ . 1]" 1
1202 1 79 ARG HA 1 86 LEU HA . . 4.500 2.854 2.274 3.958 . 0 0 "[ . 1]" 1
1203 1 79 ARG HA 1 86 LEU MD1 . . 4.700 3.858 2.024 5.500 0.800 7 1 "[ . + 1]" 1
1204 1 79 ARG HA 1 86 LEU MD2 . . 4.700 3.232 2.198 4.817 0.117 10 0 "[ . 1]" 1
1205 1 79 ARG HA 1 87 GLN H . . 4.500 3.945 3.307 4.856 0.356 3 0 "[ . 1]" 1
1206 1 79 ARG HA 1 87 GLN QG . . 6.500 5.002 4.317 5.781 . 0 0 "[ . 1]" 1
1207 1 79 ARG HA 1 88 HIS H . . 4.500 5.158 4.650 5.861 1.361 7 6 "[* *** + -]" 1
1208 1 79 ARG HB2 1 80 HIS H . . 4.500 2.857 2.126 4.378 . 0 0 "[ . 1]" 1
1209 1 79 ARG HB3 1 80 HIS H . . 4.500 3.791 2.302 4.356 . 0 0 "[ . 1]" 1
1210 1 79 ARG QD 1 86 LEU QD . . 7.070 4.346 3.696 5.317 . 0 0 "[ . 1]" 1
1211 1 79 ARG QG 1 86 LEU QD . . 6.150 3.712 2.026 4.951 . 0 0 "[ . 1]" 1
1212 1 80 HIS H 1 80 HIS QB . . 3.800 2.551 2.186 2.809 . 0 0 "[ . 1]" 1
1213 1 80 HIS H 1 85 LYS H . . 4.400 3.746 3.171 4.513 0.113 4 0 "[ . 1]" 1
1214 1 80 HIS H 1 86 LEU QD . . 6.270 3.544 2.431 4.187 . 0 0 "[ . 1]" 1
1215 1 80 HIS HA 1 80 HIS HD2 . . 4.500 4.162 3.446 4.795 0.295 3 0 "[ . 1]" 1
1216 1 80 HIS HA 1 81 PRO QD . . 3.800 2.078 2.065 2.101 . 0 0 "[ . 1]" 1
1217 1 80 HIS QB 1 85 LYS H . . 4.500 2.919 2.339 3.650 . 0 0 "[ . 1]" 1
1218 1 80 HIS QB 1 85 LYS QB . . 4.500 2.450 2.110 3.379 . 0 0 "[ . 1]" 1
1219 1 80 HIS QB 1 87 GLN QG . . 6.380 4.185 3.587 4.712 . 0 0 "[ . 1]" 1
1220 1 80 HIS HD2 1 81 PRO QD . . 6.380 5.000 3.752 5.588 . 0 0 "[ . 1]" 1
1221 1 80 HIS HD2 1 83 LYS QD . . 6.500 4.389 3.315 5.959 . 0 0 "[ . 1]" 1
1222 1 80 HIS HD2 1 85 LYS QB . . 4.500 3.533 2.371 4.820 0.320 9 0 "[ . 1]" 1
1223 1 80 HIS HD2 1 85 LYS QG . . 6.380 4.278 3.143 5.514 . 0 0 "[ . 1]" 1
1224 1 80 HIS HD2 1 87 GLN QG . . 6.500 5.177 4.568 6.305 . 0 0 "[ . 1]" 1
1225 1 80 HIS HE1 1 81 PRO QD . . 4.500 4.051 3.680 4.497 . 0 0 "[ . 1]" 1
1226 1 80 HIS HE1 1 81 PRO QG . . 6.380 4.477 3.881 4.859 . 0 0 "[ . 1]" 1
1227 1 80 HIS HE1 1 82 TYR QB . . 4.500 3.463 2.243 4.095 . 0 0 "[ . 1]" 1
1228 1 80 HIS HE1 1 83 LYS QB . . 6.500 4.612 2.800 5.270 . 0 0 "[ . 1]" 1
1229 1 80 HIS HE1 1 83 LYS QD . . 6.500 3.933 2.969 6.063 . 0 0 "[ . 1]" 1
1230 1 80 HIS HE1 1 83 LYS QE . . 6.500 4.482 3.361 6.642 0.142 10 0 "[ . 1]" 1
1231 1 80 HIS HE1 1 83 LYS QG . . 4.500 3.301 2.587 5.572 1.072 10 1 "[ . +]" 1
1232 1 81 PRO HB2 1 82 TYR QD . . 6.640 3.712 3.186 4.432 . 0 0 "[ . 1]" 1
1233 1 81 PRO HB2 1 82 TYR QE . . 6.630 3.894 3.487 4.978 . 0 0 "[ . 1]" 1
1234 1 81 PRO HB3 1 82 TYR QD . . 6.640 5.064 4.862 5.387 . 0 0 "[ . 1]" 1
1235 1 81 PRO HB3 1 82 TYR QE . . 6.630 5.125 4.745 5.897 . 0 0 "[ . 1]" 1
1236 1 81 PRO QD 1 82 TYR QD . . 6.520 4.080 3.037 4.402 . 0 0 "[ . 1]" 1
1237 1 81 PRO QD 1 82 TYR QE . . 6.510 4.506 4.205 5.257 . 0 0 "[ . 1]" 1
1238 1 81 PRO HG2 1 82 TYR QD . . 6.640 2.954 2.457 3.355 . 0 0 "[ . 1]" 1
1239 1 81 PRO HG2 1 82 TYR QE . . 6.630 3.062 2.774 3.628 . 0 0 "[ . 1]" 1
1240 1 81 PRO HG3 1 82 TYR QD . . 6.640 4.504 4.006 4.728 . 0 0 "[ . 1]" 1
1241 1 81 PRO HG3 1 82 TYR QE . . 6.630 3.986 3.771 4.414 . 0 0 "[ . 1]" 1
1242 1 82 TYR H 1 83 LYS H . . 4.400 3.685 2.963 4.296 . 0 0 "[ . 1]" 1
1243 1 82 TYR QB 1 83 LYS H . . 4.500 2.335 2.093 3.598 . 0 0 "[ . 1]" 1
1244 1 82 TYR QB 1 83 LYS QE . . 6.380 4.745 3.970 5.599 . 0 0 "[ . 1]" 1
1245 1 82 TYR QD 1 83 LYS H . . 6.640 3.894 3.722 4.360 . 0 0 "[ . 1]" 1
1246 1 82 TYR QD 1 83 LYS QD . . 7.520 5.753 4.982 6.365 . 0 0 "[ . 1]" 1
1247 1 82 TYR QD 1 83 LYS QE . . 7.520 5.844 4.933 6.947 . 0 0 "[ . 1]" 1
1248 1 82 TYR QD 1 83 LYS QG . . 6.640 4.249 3.770 4.835 . 0 0 "[ . 1]" 1
1249 1 82 TYR QE 1 83 LYS QD . . 7.510 7.530 6.765 8.184 0.674 3 1 "[ + . 1]" 1
1250 1 82 TYR QE 1 83 LYS QE . . 7.510 7.667 6.719 8.847 1.337 7 3 "[* - + 1]" 1
1251 1 82 TYR QE 1 83 LYS QG . . 6.630 6.197 5.751 6.714 0.084 3 0 "[ . 1]" 1
1252 1 83 LYS H 1 83 LYS QG . . 3.280 2.284 1.971 2.958 . 0 0 "[ . 1]" 1
1253 1 83 LYS H 1 84 PRO QD . . 4.680 4.252 3.855 4.452 . 0 0 "[ . 1]" 1
1254 1 83 LYS HA 1 84 PRO HD2 . . 3.800 2.321 2.207 2.453 . 0 0 "[ . 1]" 1
1255 1 83 LYS HA 1 84 PRO HD3 . . 3.800 2.391 2.330 2.588 . 0 0 "[ . 1]" 1
1256 1 83 LYS QB 1 84 PRO HD2 . . 6.500 2.839 2.284 3.528 . 0 0 "[ . 1]" 1
1257 1 83 LYS QB 1 84 PRO QD . . 5.870 2.765 2.257 3.383 . 0 0 "[ . 1]" 1
1258 1 83 LYS QB 1 84 PRO HD3 . . 6.500 3.863 3.544 4.346 . 0 0 "[ . 1]" 1
1259 1 83 LYS QB 1 85 LYS H . . 6.500 5.206 3.930 6.256 . 0 0 "[ . 1]" 1
1260 1 83 LYS QG 1 84 PRO HD2 . . 6.250 4.362 3.640 4.914 . 0 0 "[ . 1]" 1
1261 1 83 LYS QG 1 84 PRO QD . . 6.320 4.066 3.436 4.488 . 0 0 "[ . 1]" 1
1262 1 83 LYS QG 1 84 PRO HD3 . . 6.250 4.870 4.220 5.215 . 0 0 "[ . 1]" 1
1263 1 84 PRO HA 1 85 LYS H . . 2.700 2.269 2.184 2.379 . 0 0 "[ . 1]" 1
1264 1 85 LYS H 1 85 LYS QB . . 3.910 2.751 2.618 2.895 . 0 0 "[ . 1]" 1
1265 1 85 LYS QG 1 87 GLN QG . . 6.380 3.965 2.163 5.581 . 0 0 "[ . 1]" 1
1266 1 86 LEU HA 1 86 LEU MD1 . . 4.700 3.157 2.069 3.896 . 0 0 "[ . 1]" 1
1267 1 86 LEU HA 1 86 LEU MD2 . . 4.700 2.737 2.130 3.836 . 0 0 "[ . 1]" 1
1268 1 86 LEU HA 1 87 GLN H . . 2.700 2.303 2.153 2.484 . 0 0 "[ . 1]" 1
1269 1 86 LEU HA 1 88 HIS H . . 4.500 4.085 3.590 4.594 0.094 4 0 "[ . 1]" 1
1270 1 86 LEU QB 1 87 GLN H . . 4.500 3.394 2.520 4.029 . 0 0 "[ . 1]" 1
1271 1 86 LEU QB 1 88 HIS H . . 4.500 4.468 3.789 5.227 0.727 4 2 "[ +. - 1]" 1
1272 1 86 LEU QD 1 87 GLN H . . 6.270 3.237 2.000 4.163 . 0 0 "[ . 1]" 1
1273 1 86 LEU QD 1 88 HIS H . . 6.270 3.964 3.162 5.217 . 0 0 "[ . 1]" 1
1274 1 86 LEU MD1 1 89 ILE MD . . 6.700 3.010 2.086 4.517 . 0 0 "[ . 1]" 1
1275 1 86 LEU MD2 1 89 ILE MD . . 6.700 2.657 2.047 4.293 . 0 0 "[ . 1]" 1
1276 1 86 LEU HG 1 87 GLN H . . 4.500 4.360 2.355 5.283 0.783 1 3 "[+ . * -1]" 1
1277 1 87 GLN H 1 87 GLN HB2 . . 3.800 2.545 2.426 2.674 . 0 0 "[ . 1]" 1
1278 1 87 GLN H 1 87 GLN HB3 . . 3.800 3.678 3.577 3.803 0.003 4 0 "[ . 1]" 1
1279 1 87 GLN H 1 88 HIS H . . 4.400 2.389 1.977 2.852 . 0 0 "[ . 1]" 1
1280 1 87 GLN HB2 1 88 HIS H . . 4.500 2.395 2.198 2.564 . 0 0 "[ . 1]" 1
1281 1 87 GLN HB3 1 88 HIS H . . 4.500 3.450 3.136 3.652 . 0 0 "[ . 1]" 1
1282 1 87 GLN QG 1 88 HIS H . . 6.500 3.961 3.752 4.084 . 0 0 "[ . 1]" 1
1283 1 88 HIS H 1 89 ILE MD . . 4.700 4.227 3.609 5.259 0.559 6 2 "[ -+ 1]" 1
1284 1 88 HIS HA 1 88 HIS HD2 . . 4.500 3.006 2.845 3.244 . 0 0 "[ . 1]" 1
1285 1 88 HIS HB2 1 89 ILE H . . 4.500 4.013 3.954 4.079 . 0 0 "[ . 1]" 1
1286 1 88 HIS HB3 1 89 ILE H . . 4.500 3.678 3.477 3.813 . 0 0 "[ . 1]" 1
1287 1 88 HIS HE1 1 90 ASP HA . . 4.500 3.268 2.642 3.988 . 0 0 "[ . 1]" 1
1288 1 89 ILE H 1 89 ILE HB . . 3.800 2.815 2.593 2.962 . 0 0 "[ . 1]" 1
1289 1 89 ILE H 1 89 ILE MD . . 4.700 3.921 2.856 4.469 . 0 0 "[ . 1]" 1
1290 1 89 ILE H 1 89 ILE QG . . 4.500 3.273 2.947 3.921 . 0 0 "[ . 1]" 1
1291 1 89 ILE HB 1 90 ASP H . . 4.500 4.225 4.071 4.416 . 0 0 "[ . 1]" 1
1292 1 89 ILE HB 1 91 PHE QE . . 5.920 3.252 2.653 4.040 . 0 0 "[ . 1]" 1
1293 1 89 ILE HB 1 91 PHE HZ . . 4.500 4.050 3.401 5.005 0.505 7 1 "[ . + 1]" 1
1294 1 89 ILE MD 1 90 ASP H . . 4.700 4.295 3.709 5.039 0.339 6 0 "[ . 1]" 1
1295 1 89 ILE QG 1 90 ASP H . . 4.500 4.504 4.028 4.823 0.323 4 0 "[ . 1]" 1
1296 1 89 ILE MG 1 90 ASP H . . 3.400 2.674 2.284 3.052 . 0 0 "[ . 1]" 1
1297 1 89 ILE MG 1 90 ASP HA . . 4.700 3.830 3.599 3.992 . 0 0 "[ . 1]" 1
1298 1 89 ILE MG 1 91 PHE H . . 4.700 3.036 2.547 3.572 . 0 0 "[ . 1]" 1
1299 1 89 ILE MG 1 91 PHE HA . . 4.700 3.414 2.782 4.263 . 0 0 "[ . 1]" 1
1300 1 89 ILE MG 1 91 PHE QD . . 6.850 2.894 2.768 3.037 . 0 0 "[ . 1]" 1
1301 1 89 ILE MG 1 91 PHE QE . . 6.850 2.755 2.466 2.906 . 0 0 "[ . 1]" 1
1302 1 89 ILE MG 1 91 PHE HZ . . 4.700 3.018 2.649 3.521 . 0 0 "[ . 1]" 1
1303 1 90 ASP H 1 90 ASP QB . . 3.420 2.487 2.394 2.778 . 0 0 "[ . 1]" 1
1304 1 90 ASP H 1 91 PHE H . . 4.400 3.881 3.673 4.137 . 0 0 "[ . 1]" 1
1305 1 90 ASP H 1 91 PHE QD . . 5.620 5.232 4.998 5.485 . 0 0 "[ . 1]" 1
1306 1 90 ASP HA 1 91 PHE H . . 2.700 2.304 2.184 2.383 . 0 0 "[ . 1]" 1
1307 1 90 ASP QB 1 91 PHE HA . . 6.380 4.688 4.525 5.043 . 0 0 "[ . 1]" 1
1308 1 91 PHE H 1 91 PHE QB . . 3.800 2.415 2.371 2.445 . 0 0 "[ . 1]" 1
1309 1 91 PHE H 1 92 VAL QG . . 5.500 5.027 4.509 5.576 0.076 10 0 "[ . 1]" 1
1310 1 91 PHE HA 1 92 VAL H . . 2.700 2.355 2.294 2.390 . 0 0 "[ . 1]" 1
1311 1 91 PHE QB 1 92 VAL H . . 4.500 2.706 2.439 3.818 . 0 0 "[ . 1]" 1
1312 1 91 PHE QD 1 92 VAL H . . 5.620 3.812 3.534 4.834 . 0 0 "[ . 1]" 1
1313 1 92 VAL H 1 92 VAL QG . . 4.200 2.653 2.132 3.106 . 0 0 "[ . 1]" 1
1314 1 92 VAL H 1 93 ARG H . . 4.400 4.305 4.207 4.646 0.246 6 0 "[ . 1]" 1
1315 1 92 VAL HA 1 93 ARG H . . 2.700 2.186 2.133 2.247 . 0 0 "[ . 1]" 1
1316 1 92 VAL HB 1 93 ARG H . . 4.500 4.116 3.121 4.397 . 0 0 "[ . 1]" 1
1317 1 92 VAL QG 1 93 ARG H . . 5.560 2.676 2.343 3.529 . 0 0 "[ . 1]" 1
1318 1 92 VAL QG 1 94 ALA H . . 5.500 4.785 4.462 5.111 . 0 0 "[ . 1]" 1
1319 1 93 ARG H 1 93 ARG QB . . 3.910 2.329 2.242 2.427 . 0 0 "[ . 1]" 1
1320 1 93 ARG H 1 93 ARG HD2 . . 4.500 4.274 3.573 4.874 0.374 2 0 "[ . 1]" 1
1321 1 93 ARG H 1 93 ARG HD3 . . 4.500 4.287 2.225 4.906 0.406 8 0 "[ . 1]" 1
1322 1 93 ARG H 1 93 ARG HG2 . . 4.500 3.199 2.416 4.160 . 0 0 "[ . 1]" 1
1323 1 93 ARG H 1 93 ARG QG . . 4.650 2.480 2.178 3.438 . 0 0 "[ . 1]" 1
1324 1 93 ARG H 1 93 ARG HG3 . . 4.500 2.961 2.202 3.664 . 0 0 "[ . 1]" 1
1325 1 93 ARG H 1 94 ALA H . . 4.400 4.635 4.598 4.650 0.250 8 0 "[ . 1]" 1
1326 1 93 ARG HB2 1 94 ALA H . . 4.500 4.202 4.046 4.298 . 0 0 "[ . 1]" 1
1327 1 93 ARG HB3 1 94 ALA H . . 4.500 3.081 2.823 3.268 . 0 0 "[ . 1]" 1
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