NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582930 |
2mey   |
7276 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mey
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 1043
_Distance_constraint_stats_list.Viol_count 1703
_Distance_constraint_stats_list.Viol_total 3069.839
_Distance_constraint_stats_list.Viol_max 0.693
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0901
_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 3 GLN 0.196 0.135 15 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 2.162 0.195 7 0 "[ . 1 . 2]"
1 7 PRO 1.909 0.195 7 0 "[ . 1 . 2]"
1 8 LYS 1.710 0.302 10 0 "[ . 1 . 2]"
1 9 LYS 1.997 0.405 6 0 "[ . 1 . 2]"
1 10 ASP 2.143 0.405 6 0 "[ . 1 . 2]"
1 11 ASP 0.146 0.064 1 0 "[ . 1 . 2]"
1 12 PHE 1.609 0.509 8 1 "[ . + 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 2.846 0.433 15 0 "[ . 1 . 2]"
1 20 LEU 0.861 0.142 2 0 "[ . 1 . 2]"
1 21 ILE 6.757 0.257 17 0 "[ . 1 . 2]"
1 22 GLU 2.956 0.433 15 0 "[ . 1 . 2]"
1 23 GLN 0.110 0.074 10 0 "[ . 1 . 2]"
1 24 ALA 0.569 0.128 17 0 "[ . 1 . 2]"
1 25 ASN 0.925 0.204 4 0 "[ . 1 . 2]"
1 26 HIS 1.745 0.455 18 0 "[ . 1 . 2]"
1 27 ALA 0.757 0.157 17 0 "[ . 1 . 2]"
1 28 ILE 0.527 0.064 18 0 "[ . 1 . 2]"
1 29 GLU 0.137 0.042 12 0 "[ . 1 . 2]"
1 30 LYS 2.250 0.214 1 0 "[ . 1 . 2]"
1 31 GLY 0.108 0.042 12 0 "[ . 1 . 2]"
1 32 GLU 0.710 0.200 14 0 "[ . 1 . 2]"
1 33 HIS 0.639 0.172 4 0 "[ . 1 . 2]"
1 34 GLN 1.934 0.118 17 0 "[ . 1 . 2]"
1 35 LEU 6.999 0.306 7 0 "[ . 1 . 2]"
1 36 LEU 1.980 0.363 10 0 "[ . 1 . 2]"
1 37 TYR 1.666 0.215 15 0 "[ . 1 . 2]"
1 38 LEU 1.901 0.177 16 0 "[ . 1 . 2]"
1 39 GLN 4.459 0.306 7 0 "[ . 1 . 2]"
1 40 HIS 3.684 0.424 9 0 "[ . 1 . 2]"
1 41 GLN 1.512 0.289 16 0 "[ . 1 . 2]"
1 42 LEU 1.248 0.213 17 0 "[ . 1 . 2]"
1 43 ASP 0.246 0.066 1 0 "[ . 1 . 2]"
1 44 GLU 1.190 0.103 15 0 "[ . 1 . 2]"
1 45 LEU 3.950 0.201 9 0 "[ . 1 . 2]"
1 46 ASN 2.296 0.281 5 0 "[ . 1 . 2]"
1 47 GLU 0.377 0.119 9 0 "[ . 1 . 2]"
1 48 ASN 0.553 0.158 20 0 "[ . 1 . 2]"
1 49 LYS 8.539 0.291 2 0 "[ . 1 . 2]"
1 50 SER 4.415 0.273 13 0 "[ . 1 . 2]"
1 51 LYS 10.141 0.276 6 0 "[ . 1 . 2]"
1 52 GLU 2.438 0.168 2 0 "[ . 1 . 2]"
1 53 LEU 2.916 0.289 16 0 "[ . 1 . 2]"
1 54 GLN 3.983 0.168 2 0 "[ . 1 . 2]"
1 55 GLU 1.947 0.303 18 0 "[ . 1 . 2]"
1 56 LYS 2.095 0.330 9 0 "[ . 1 . 2]"
1 57 ILE 0.595 0.147 9 0 "[ . 1 . 2]"
1 58 ILE 0.844 0.529 9 1 "[ . +1 . 2]"
1 59 ARG 2.308 0.529 9 1 "[ . +1 . 2]"
1 60 GLU 2.553 0.341 18 0 "[ . 1 . 2]"
1 61 LEU 2.333 0.463 18 0 "[ . 1 . 2]"
1 62 ASP 0.347 0.075 13 0 "[ . 1 . 2]"
1 63 VAL 2.204 0.341 18 0 "[ . 1 . 2]"
1 64 VAL 1.724 0.131 11 0 "[ . 1 . 2]"
1 65 CYS 1.221 0.463 18 0 "[ . 1 . 2]"
1 66 ALA 4.134 0.226 18 0 "[ . 1 . 2]"
1 67 MET 6.891 0.217 4 0 "[ . 1 . 2]"
1 68 ILE 8.462 0.220 4 0 "[ . 1 . 2]"
1 69 GLU 0.078 0.041 13 0 "[ . 1 . 2]"
1 70 GLY 0.041 0.041 13 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 7.356 0.252 5 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 2.717 0.386 2 0 "[ . 1 . 2]"
1 76 GLU 4.770 0.386 2 0 "[ . 1 . 2]"
1 77 ARG 0.953 0.092 16 0 "[ . 1 . 2]"
1 78 GLU 4.064 0.375 17 0 "[ . 1 . 2]"
1 79 LEU 6.267 0.300 11 0 "[ . 1 . 2]"
1 80 LYS 11.879 0.375 17 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.934 0.320 11 0 "[ . 1 . 2]"
1 84 LEU 4.838 0.693 9 2 "[ -. +1 . 2]"
1 85 ASN 13.358 0.693 9 6 "[ * *.* +1 .- *]"
1 86 ILE 0.028 0.025 3 0 "[ . 1 . 2]"
1 87 LEU 2.326 0.167 9 0 "[ . 1 . 2]"
1 88 GLU 1.460 0.225 13 0 "[ . 1 . 2]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 1.158 0.123 19 0 "[ . 1 . 2]"
1 91 ASN 0.313 0.167 9 0 "[ . 1 . 2]"
1 92 TYR 10.291 0.264 16 0 "[ . 1 . 2]"
1 93 GLU 0.011 0.011 3 0 "[ . 1 . 2]"
1 94 GLU 2.657 0.205 17 0 "[ . 1 . 2]"
1 95 ALA 0.587 0.126 18 0 "[ . 1 . 2]"
1 96 GLN 0.547 0.264 20 0 "[ . 1 . 2]"
1 97 THR 5.724 0.252 8 0 "[ . 1 . 2]"
1 98 LEU 0.054 0.026 7 0 "[ . 1 . 2]"
1 99 SER 0.184 0.057 17 0 "[ . 1 . 2]"
1 100 LYS 2.529 0.264 20 0 "[ . 1 . 2]"
1 101 ILE 4.394 0.163 1 0 "[ . 1 . 2]"
1 102 LEU 0.139 0.057 17 0 "[ . 1 . 2]"
1 103 LEU 2.132 0.271 4 0 "[ . 1 . 2]"
1 104 LYS 0.787 0.144 11 0 "[ . 1 . 2]"
1 105 ASP 2.164 0.137 16 0 "[ . 1 . 2]"
1 106 LEU 1.698 0.271 4 0 "[ . 1 . 2]"
1 107 LYS 0.671 0.206 13 0 "[ . 1 . 2]"
1 108 GLU 0.984 0.349 3 0 "[ . 1 . 2]"
1 109 THR 1.208 0.213 17 0 "[ . 1 . 2]"
1 110 GLU 1.995 0.213 12 0 "[ . 1 . 2]"
1 111 GLN 3.946 0.286 2 0 "[ . 1 . 2]"
1 112 LYS 1.632 0.349 3 0 "[ . 1 . 2]"
1 113 VAL 1.400 0.213 12 0 "[ . 1 . 2]"
1 114 LYS 6.073 0.286 2 0 "[ . 1 . 2]"
1 115 ASP 1.674 0.179 5 0 "[ . 1 . 2]"
1 116 ILE 8.507 0.285 13 0 "[ . 1 . 2]"
1 117 GLN 2.802 0.222 13 0 "[ . 1 . 2]"
1 118 THR 5.911 0.291 2 0 "[ . 1 . 2]"
1 119 GLN 4.651 0.267 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 ILE MG 1 25 ASN HD22 4.500 . 4.500 3.644 2.170 4.704 0.204 4 0 "[ . 1 . 2]" 1
2 1 3 GLN QB 1 3 GLN HE21 4.200 . 4.200 3.055 1.848 3.970 . 0 0 "[ . 1 . 2]" 1
3 1 42 LEU MD1 1 46 ASN HD22 5.460 . 5.460 2.871 1.871 4.802 . 0 0 "[ . 1 . 2]" 1
4 1 34 GLN HE22 1 64 VAL HB 4.870 . 4.870 3.692 2.840 4.965 0.095 17 0 "[ . 1 . 2]" 1
5 1 34 GLN HE22 1 38 LEU QD 4.370 . 4.370 3.148 2.180 4.447 0.077 16 0 "[ . 1 . 2]" 1
6 1 117 GLN HE22 1 117 GLN QG 3.760 . 3.760 3.258 3.208 3.482 . 0 0 "[ . 1 . 2]" 1
7 1 115 ASP H 1 116 ILE H 3.550 . 3.550 2.527 2.420 2.643 . 0 0 "[ . 1 . 2]" 1
8 1 115 ASP QB 1 116 ILE H 3.830 . 3.830 2.964 2.771 3.210 . 0 0 "[ . 1 . 2]" 1
9 1 116 ILE H 1 116 ILE HB 3.000 . 3.000 2.170 1.995 2.247 . 0 0 "[ . 1 . 2]" 1
10 1 116 ILE H 1 116 ILE QG 3.730 . 3.730 3.696 3.558 3.834 0.104 15 0 "[ . 1 . 2]" 1
11 1 116 ILE H 1 116 ILE MD 3.580 . 3.580 2.612 2.359 3.049 . 0 0 "[ . 1 . 2]" 1
12 1 35 LEU MD1 1 39 GLN HE21 4.280 . 4.280 2.694 2.001 3.287 . 0 0 "[ . 1 . 2]" 1
13 1 85 ASN HA 1 85 ASN HD22 3.670 . 3.670 3.940 3.736 4.261 0.591 20 4 "[ * .* 1 .- +]" 1
14 1 84 LEU H 1 84 LEU QB 3.670 . 3.670 2.744 2.199 3.402 . 0 0 "[ . 1 . 2]" 1
15 1 84 LEU H 1 84 LEU QD 4.080 . 4.080 3.393 1.580 4.058 0.220 6 0 "[ . 1 . 2]" 1
16 1 79 LEU H 1 80 LYS H 4.210 . 4.210 2.826 2.725 2.907 . 0 0 "[ . 1 . 2]" 1
17 1 78 GLU HA 1 80 LYS H 4.460 . 4.460 3.921 3.752 4.181 . 0 0 "[ . 1 . 2]" 1
18 1 80 LYS H 1 80 LYS QB 3.450 . 3.450 2.121 2.032 2.279 . 0 0 "[ . 1 . 2]" 1
19 1 78 GLU QB 1 80 LYS H 4.990 . 4.990 4.377 4.228 4.708 . 0 0 "[ . 1 . 2]" 1
20 1 80 LYS H 1 80 LYS QG 4.080 . 4.080 2.997 2.656 3.899 . 0 0 "[ . 1 . 2]" 1
21 1 46 ASN H 1 47 GLU H 3.570 . 3.570 2.629 2.543 2.737 . 0 0 "[ . 1 . 2]" 1
22 1 47 GLU H 1 48 ASN H 3.680 . 3.680 2.484 2.344 2.594 . 0 0 "[ . 1 . 2]" 1
23 1 46 ASN HB2 1 47 GLU H 3.870 . 3.870 2.899 2.669 3.988 0.118 9 0 "[ . 1 . 2]" 1
24 1 47 GLU H 1 47 GLU QG 4.120 . 4.120 3.473 1.875 4.078 . 0 0 "[ . 1 . 2]" 1
25 1 47 GLU H 1 47 GLU QB 3.040 . 3.040 2.335 2.133 2.871 . 0 0 "[ . 1 . 2]" 1
26 1 72 GLN HE21 1 103 LEU QD 4.540 . 4.540 3.596 2.430 4.640 0.100 4 0 "[ . 1 . 2]" 1
27 1 21 ILE MG 1 25 ASN HD21 4.500 . 4.500 3.242 2.416 3.935 . 0 0 "[ . 1 . 2]" 1
28 1 35 LEU H 1 36 LEU H 4.010 . 4.010 2.685 2.574 2.879 . 0 0 "[ . 1 . 2]" 1
29 1 36 LEU H 1 37 TYR H 4.110 . 4.110 2.501 2.410 2.564 . 0 0 "[ . 1 . 2]" 1
30 1 33 HIS HA 1 36 LEU H 4.240 . 4.240 3.641 3.286 3.876 . 0 0 "[ . 1 . 2]" 1
31 1 35 LEU QB 1 36 LEU H 3.970 . 3.970 2.520 2.470 2.589 . 0 0 "[ . 1 . 2]" 1
32 1 36 LEU H 1 36 LEU QB 3.650 . 3.650 2.489 2.203 2.632 . 0 0 "[ . 1 . 2]" 1
33 1 36 LEU H 1 36 LEU HG 3.440 . 3.440 2.288 2.036 3.803 0.363 10 0 "[ . 1 . 2]" 1
34 1 35 LEU HG 1 36 LEU H 4.810 . 4.810 4.848 4.787 4.909 0.099 2 0 "[ . 1 . 2]" 1
35 1 35 LEU MD1 1 36 LEU H 3.760 . 3.760 2.998 2.896 3.103 . 0 0 "[ . 1 . 2]" 1
36 1 44 GLU H 1 45 LEU H 3.760 . 3.760 2.591 2.449 2.787 . 0 0 "[ . 1 . 2]" 1
37 1 43 ASP H 1 44 GLU H 3.880 . 3.880 2.685 2.617 2.772 . 0 0 "[ . 1 . 2]" 1
38 1 43 ASP HB2 1 44 GLU H 3.930 . 3.930 3.824 2.788 3.983 0.053 8 0 "[ . 1 . 2]" 1
39 1 43 ASP HB3 1 44 GLU H 3.930 . 3.930 2.648 2.493 3.493 . 0 0 "[ . 1 . 2]" 1
40 1 44 GLU H 1 44 GLU QB 3.140 . 3.140 2.239 2.192 2.299 . 0 0 "[ . 1 . 2]" 1
41 1 62 ASP H 1 63 VAL H 3.890 . 3.890 2.786 2.694 2.873 . 0 0 "[ . 1 . 2]" 1
42 1 63 VAL H 1 64 VAL H 3.840 . 3.840 2.717 2.660 2.773 . 0 0 "[ . 1 . 2]" 1
43 1 60 GLU HA 1 63 VAL H 4.250 . 4.250 3.380 3.196 3.554 . 0 0 "[ . 1 . 2]" 1
44 1 63 VAL H 1 63 VAL HB 3.780 . 3.780 2.888 2.310 3.725 . 0 0 "[ . 1 . 2]" 1
45 1 42 LEU MD1 1 46 ASN HD21 5.460 . 5.460 3.412 2.072 5.505 0.045 15 0 "[ . 1 . 2]" 1
46 1 42 LEU MD2 1 46 ASN HD21 5.460 . 5.460 4.226 2.660 5.172 . 0 0 "[ . 1 . 2]" 1
47 1 50 SER QB 1 53 LEU H 4.240 . 4.240 2.682 2.057 3.018 . 0 0 "[ . 1 . 2]" 1
48 1 53 LEU H 1 53 LEU QB 3.610 . 3.610 2.257 2.198 2.330 . 0 0 "[ . 1 . 2]" 1
49 1 53 LEU H 1 56 LYS QG 4.740 . 4.740 4.663 4.335 4.831 0.091 3 0 "[ . 1 . 2]" 1
50 1 53 LEU H 1 53 LEU MD2 5.020 . 5.020 4.274 4.214 4.360 . 0 0 "[ . 1 . 2]" 1
51 1 114 LYS H 1 115 ASP H 3.530 . 3.530 2.538 2.466 2.612 . 0 0 "[ . 1 . 2]" 1
52 1 115 ASP H 1 115 ASP QB 3.000 . 3.000 2.279 2.118 2.332 . 0 0 "[ . 1 . 2]" 1
53 1 111 GLN QG 1 112 LYS H 4.420 . 4.420 3.812 3.340 4.256 . 0 0 "[ . 1 . 2]" 1
54 1 111 GLN QB 1 112 LYS H 3.680 . 3.680 2.595 2.374 2.747 . 0 0 "[ . 1 . 2]" 1
55 1 112 LYS H 1 112 LYS QB 3.900 . 3.900 2.290 1.956 2.650 . 0 0 "[ . 1 . 2]" 1
56 1 114 LYS QB 1 115 ASP H 3.540 . 3.540 3.387 2.649 3.719 0.179 5 0 "[ . 1 . 2]" 1
57 1 112 LYS H 1 112 LYS QG 4.440 . 4.440 2.975 2.020 4.054 . 0 0 "[ . 1 . 2]" 1
58 1 37 TYR H 1 38 LEU H 4.090 . 4.090 2.708 2.650 2.750 . 0 0 "[ . 1 . 2]" 1
59 1 42 LEU H 1 43 ASP H 3.960 . 3.960 2.923 2.827 3.024 . 0 0 "[ . 1 . 2]" 1
60 1 37 TYR H 1 37 TYR QB 3.320 . 3.320 2.276 2.223 2.332 . 0 0 "[ . 1 . 2]" 1
61 1 43 ASP H 1 43 ASP HB2 3.630 . 3.630 2.524 2.323 2.694 . 0 0 "[ . 1 . 2]" 1
62 1 43 ASP H 1 43 ASP HB3 3.630 . 3.630 2.552 2.361 3.556 . 0 0 "[ . 1 . 2]" 1
63 1 42 LEU QB 1 43 ASP H 3.710 . 3.710 2.482 2.345 2.672 . 0 0 "[ . 1 . 2]" 1
64 1 36 LEU QB 1 37 TYR H 4.180 . 4.180 3.046 2.666 3.649 . 0 0 "[ . 1 . 2]" 1
65 1 36 LEU HG 1 37 TYR H 5.060 . 5.060 3.768 2.560 5.140 0.080 10 0 "[ . 1 . 2]" 1
66 1 42 LEU HG 1 43 ASP H 5.500 . 5.500 4.046 3.116 5.127 . 0 0 "[ . 1 . 2]" 1
67 1 36 LEU QD 1 37 TYR H 4.810 . 4.810 3.574 2.502 4.176 . 0 0 "[ . 1 . 2]" 1
68 1 42 LEU MD1 1 43 ASP H 4.570 . 4.570 4.022 2.995 4.584 0.014 15 0 "[ . 1 . 2]" 1
69 1 85 ASN HA 1 85 ASN HD21 3.670 . 3.670 3.370 2.735 4.114 0.444 16 0 "[ . 1 . 2]" 1
70 1 73 GLY H 1 74 ALA H 3.820 . 3.820 2.587 2.527 2.679 . 0 0 "[ . 1 . 2]" 1
71 1 74 ALA H 1 75 LEU H 4.000 . 4.000 2.643 2.423 2.743 . 0 0 "[ . 1 . 2]" 1
72 1 74 ALA H 1 74 ALA MB 3.240 . 3.240 2.259 2.237 2.282 . 0 0 "[ . 1 . 2]" 1
73 1 110 GLU H 1 111 GLN H 3.990 . 3.990 2.924 2.846 3.041 . 0 0 "[ . 1 . 2]" 1
74 1 76 GLU H 1 77 ARG H 4.000 . 4.000 2.844 2.673 2.934 . 0 0 "[ . 1 . 2]" 1
75 1 108 GLU HA 1 111 GLN H 3.890 . 3.890 3.577 3.227 3.942 0.052 3 0 "[ . 1 . 2]" 1
76 1 110 GLU QB 1 111 GLN H 3.720 . 3.720 2.692 2.217 3.493 . 0 0 "[ . 1 . 2]" 1
77 1 111 GLN H 1 111 GLN QG 4.040 . 4.040 3.254 2.078 4.002 . 0 0 "[ . 1 . 2]" 1
78 1 111 GLN H 1 111 GLN QB 3.030 . 3.030 2.316 2.172 2.553 . 0 0 "[ . 1 . 2]" 1
79 1 77 ARG H 1 77 ARG QB 3.370 . 3.370 2.277 2.121 2.482 . 0 0 "[ . 1 . 2]" 1
80 1 77 ARG H 1 77 ARG QG 4.340 . 4.340 3.527 2.103 4.040 . 0 0 "[ . 1 . 2]" 1
81 1 95 ALA H 1 95 ALA MB 3.530 . 3.530 2.201 2.171 2.230 . 0 0 "[ . 1 . 2]" 1
82 1 101 ILE HA 1 104 LYS H 4.530 . 4.530 3.593 3.395 3.760 . 0 0 "[ . 1 . 2]" 1
83 1 104 LYS H 1 104 LYS HB3 3.650 . 3.650 3.039 2.366 3.626 . 0 0 "[ . 1 . 2]" 1
84 1 104 LYS H 1 104 LYS HB2 3.650 . 3.650 2.474 2.344 2.573 . 0 0 "[ . 1 . 2]" 1
85 1 103 LEU QD 1 104 LYS H 4.310 . 4.310 4.017 3.928 4.091 . 0 0 "[ . 1 . 2]" 1
86 1 34 GLN HE21 1 64 VAL HB 4.870 . 4.870 4.124 3.297 4.898 0.028 18 0 "[ . 1 . 2]" 1
87 1 34 GLN HE21 1 38 LEU QD 4.370 . 4.370 3.149 2.248 4.476 0.106 4 0 "[ . 1 . 2]" 1
88 1 100 LYS H 1 100 LYS QB 3.820 . 3.820 2.369 2.099 2.585 . 0 0 "[ . 1 . 2]" 1
89 1 101 ILE H 1 101 ILE HB 3.550 . 3.550 2.470 2.221 2.573 . 0 0 "[ . 1 . 2]" 1
90 1 100 LYS H 1 100 LYS QG 3.800 . 3.800 2.522 2.070 3.923 0.123 19 0 "[ . 1 . 2]" 1
91 1 101 ILE H 1 101 ILE HG13 4.500 . 4.500 2.463 2.055 4.070 . 0 0 "[ . 1 . 2]" 1
92 1 101 ILE H 1 101 ILE MG 3.990 . 3.990 3.747 3.614 3.787 . 0 0 "[ . 1 . 2]" 1
93 1 56 LYS H 1 57 ILE H 3.920 . 3.920 2.634 2.576 2.699 . 0 0 "[ . 1 . 2]" 1
94 1 55 GLU H 1 56 LYS H 3.840 . 3.840 2.768 2.717 2.830 . 0 0 "[ . 1 . 2]" 1
95 1 53 LEU HA 1 56 LYS H 4.360 . 4.360 3.476 3.374 3.588 . 0 0 "[ . 1 . 2]" 1
96 1 56 LYS H 1 56 LYS QB 3.430 . 3.430 2.506 2.342 2.616 . 0 0 "[ . 1 . 2]" 1
97 1 78 GLU H 1 78 GLU QB 3.790 . 3.790 2.354 2.174 2.674 . 0 0 "[ . 1 . 2]" 1
98 1 67 MET H 1 68 ILE H 4.040 . 4.040 2.629 2.545 2.677 . 0 0 "[ . 1 . 2]" 1
99 1 80 LYS H 1 81 ARG H 3.780 . 3.780 2.461 2.338 2.600 . 0 0 "[ . 1 . 2]" 1
100 1 38 LEU HA 1 40 HIS H 4.940 . 4.940 4.058 3.860 4.335 . 0 0 "[ . 1 . 2]" 1
101 1 67 MET H 1 67 MET QG 3.630 . 3.630 2.360 2.298 2.428 . 0 0 "[ . 1 . 2]" 1
102 1 81 ARG H 1 81 ARG QB 3.650 . 3.650 2.308 2.165 2.521 . 0 0 "[ . 1 . 2]" 1
103 1 78 GLU QB 1 81 ARG H 5.500 . 5.500 4.938 4.726 5.320 . 0 0 "[ . 1 . 2]" 1
104 1 80 LYS QD 1 81 ARG H 5.500 . 5.500 4.815 4.628 5.023 . 0 0 "[ . 1 . 2]" 1
105 1 65 CYS H 1 66 ALA H 3.810 . 3.810 2.618 2.499 2.705 . 0 0 "[ . 1 . 2]" 1
106 1 63 VAL HA 1 66 ALA H 4.450 . 4.450 3.524 3.352 3.963 . 0 0 "[ . 1 . 2]" 1
107 1 65 CYS HB2 1 66 ALA H 4.300 . 4.300 3.641 2.613 3.931 . 0 0 "[ . 1 . 2]" 1
108 1 65 CYS HB3 1 66 ALA H 4.300 . 4.300 3.146 2.614 4.209 . 0 0 "[ . 1 . 2]" 1
109 1 66 ALA H 1 66 ALA MB 3.080 . 3.080 2.184 2.128 2.225 . 0 0 "[ . 1 . 2]" 1
110 1 39 GLN H 1 40 HIS H 4.210 . 4.210 2.678 2.578 2.742 . 0 0 "[ . 1 . 2]" 1
111 1 58 ILE H 1 59 ARG H 3.870 . 3.870 2.639 2.540 2.760 . 0 0 "[ . 1 . 2]" 1
112 1 59 ARG H 1 60 GLU H 4.150 . 4.150 2.713 2.640 2.808 . 0 0 "[ . 1 . 2]" 1
113 1 40 HIS H 1 40 HIS QB 3.570 . 3.570 2.258 2.195 2.350 . 0 0 "[ . 1 . 2]" 1
114 1 39 GLN HB3 1 40 HIS H 4.240 . 4.240 3.284 2.561 3.892 . 0 0 "[ . 1 . 2]" 1
115 1 39 GLN HB2 1 40 HIS H 4.240 . 4.240 3.194 2.638 3.858 . 0 0 "[ . 1 . 2]" 1
116 1 33 HIS H 1 34 GLN H 3.560 . 3.560 2.683 2.620 2.732 . 0 0 "[ . 1 . 2]" 1
117 1 56 LYS HA 1 59 ARG H 4.150 . 4.150 3.559 3.183 3.814 . 0 0 "[ . 1 . 2]" 1
118 1 57 ILE HA 1 59 ARG H 4.790 . 4.790 4.398 4.181 4.549 . 0 0 "[ . 1 . 2]" 1
119 1 33 HIS H 1 33 HIS QB 3.330 . 3.330 2.253 2.060 2.449 . 0 0 "[ . 1 . 2]" 1
120 1 32 GLU QB 1 33 HIS H 3.280 . 3.280 2.530 2.203 3.452 0.172 4 0 "[ . 1 . 2]" 1
121 1 101 ILE H 1 102 LEU H 4.320 . 4.320 2.637 2.583 2.711 . 0 0 "[ . 1 . 2]" 1
122 1 102 LEU H 1 102 LEU HG 4.650 . 4.650 3.307 2.290 4.568 . 0 0 "[ . 1 . 2]" 1
123 1 101 ILE MG 1 102 LEU H 4.110 . 4.110 3.248 2.767 3.426 . 0 0 "[ . 1 . 2]" 1
124 1 102 LEU H 1 102 LEU QD 4.410 . 4.410 3.341 3.037 3.716 . 0 0 "[ . 1 . 2]" 1
125 1 86 ILE H 1 87 LEU H 4.560 . 4.560 2.834 2.730 3.027 . 0 0 "[ . 1 . 2]" 1
126 1 87 LEU H 1 90 PHE H 4.820 . 4.820 4.768 4.647 4.866 0.046 2 0 "[ . 1 . 2]" 1
127 1 85 ASN HA 1 87 LEU H 4.770 . 4.770 4.242 3.598 4.807 0.037 2 0 "[ . 1 . 2]" 1
128 1 86 ILE HB 1 87 LEU H 4.040 . 4.040 2.706 2.371 2.990 . 0 0 "[ . 1 . 2]" 1
129 1 87 LEU H 1 87 LEU QB 3.180 . 3.180 2.201 2.055 2.264 . 0 0 "[ . 1 . 2]" 1
130 1 86 ILE MG 1 87 LEU H 3.850 . 3.850 3.450 2.871 3.682 . 0 0 "[ . 1 . 2]" 1
131 1 87 LEU H 1 87 LEU QD 4.280 . 4.280 3.710 3.632 3.769 . 0 0 "[ . 1 . 2]" 1
132 1 41 GLN H 1 42 LEU H 4.110 . 4.110 2.658 2.504 2.908 . 0 0 "[ . 1 . 2]" 1
133 1 38 LEU HA 1 41 GLN H 4.050 . 4.050 3.043 2.805 3.152 . 0 0 "[ . 1 . 2]" 1
134 1 40 HIS QB 1 41 GLN H 3.910 . 3.910 2.683 2.360 2.898 . 0 0 "[ . 1 . 2]" 1
135 1 41 GLN H 1 41 GLN QB 3.700 . 3.700 2.382 2.103 2.565 . 0 0 "[ . 1 . 2]" 1
136 1 26 HIS H 1 27 ALA H 4.090 . 4.090 2.689 2.595 2.790 . 0 0 "[ . 1 . 2]" 1
137 1 26 HIS QB 1 27 ALA H 3.760 . 3.760 2.632 2.254 3.059 . 0 0 "[ . 1 . 2]" 1
138 1 78 GLU H 1 79 LEU H 4.400 . 4.400 2.802 2.754 2.843 . 0 0 "[ . 1 . 2]" 1
139 1 79 LEU H 1 80 LYS QB 4.460 . 4.460 4.603 4.511 4.659 0.199 15 0 "[ . 1 . 2]" 1
140 1 79 LEU H 1 79 LEU QD 4.440 . 4.440 3.058 3.000 3.146 . 0 0 "[ . 1 . 2]" 1
141 1 64 VAL H 1 65 CYS H 4.040 . 4.040 2.562 2.450 2.742 . 0 0 "[ . 1 . 2]" 1
142 1 64 VAL H 1 64 VAL HB 3.650 . 3.650 2.510 2.410 2.592 . 0 0 "[ . 1 . 2]" 1
143 1 63 VAL MG1 1 64 VAL H 4.140 . 4.140 3.172 2.153 3.994 . 0 0 "[ . 1 . 2]" 1
144 1 109 THR H 1 110 GLU H 4.050 . 4.050 2.722 2.566 2.903 . 0 0 "[ . 1 . 2]" 1
145 1 108 GLU H 1 109 THR H 3.890 . 3.890 2.542 2.467 2.634 . 0 0 "[ . 1 . 2]" 1
146 1 106 LEU HA 1 109 THR H 4.460 . 4.460 3.417 3.194 3.664 . 0 0 "[ . 1 . 2]" 1
147 1 108 GLU QB 1 109 THR H 3.890 . 3.890 2.579 2.352 2.762 . 0 0 "[ . 1 . 2]" 1
148 1 90 PHE H 1 91 ASN H 4.680 . 4.680 2.669 2.570 2.812 . 0 0 "[ . 1 . 2]" 1
149 1 90 PHE H 1 90 PHE QB 3.390 . 3.390 2.222 2.197 2.240 . 0 0 "[ . 1 . 2]" 1
150 1 28 ILE H 1 28 ILE QG 4.220 . 4.220 2.064 2.034 2.119 . 0 0 "[ . 1 . 2]" 1
151 1 27 ALA MB 1 28 ILE H 4.110 . 4.110 2.472 2.400 2.567 . 0 0 "[ . 1 . 2]" 1
152 1 49 LYS H 1 50 SER H 4.020 . 4.020 2.752 2.516 3.530 . 0 0 "[ . 1 . 2]" 1
153 1 50 SER H 1 50 SER QB 3.490 . 3.490 2.354 2.180 2.953 . 0 0 "[ . 1 . 2]" 1
154 1 49 LYS QB 1 50 SER H 4.570 . 4.570 3.668 3.590 3.735 . 0 0 "[ . 1 . 2]" 1
155 1 50 SER H 1 53 LEU QB 4.780 . 4.780 3.594 3.332 3.756 . 0 0 "[ . 1 . 2]" 1
156 1 45 LEU HG 1 50 SER H 5.000 . 5.000 4.512 4.214 5.176 0.176 14 0 "[ . 1 . 2]" 1
157 1 75 LEU H 1 76 GLU QB 4.870 . 4.870 4.484 4.221 4.965 0.095 15 0 "[ . 1 . 2]" 1
158 1 20 LEU H 1 20 LEU HG 4.500 . 4.500 2.608 1.747 3.906 0.053 12 0 "[ . 1 . 2]" 1
159 1 114 LYS H 1 114 LYS QD 3.830 . 3.830 3.519 3.071 3.796 . 0 0 "[ . 1 . 2]" 1
160 1 114 LYS H 1 114 LYS QG 4.460 . 4.460 2.311 1.856 2.599 . 0 0 "[ . 1 . 2]" 1
161 1 113 VAL MG1 1 114 LYS H 3.940 . 3.940 2.933 2.048 3.950 0.010 5 0 "[ . 1 . 2]" 1
162 1 57 ILE MG 1 58 ILE H 3.720 . 3.720 3.129 2.572 3.372 . 0 0 "[ . 1 . 2]" 1
163 1 113 VAL MG2 1 114 LYS H 3.940 . 3.940 3.354 2.083 3.846 . 0 0 "[ . 1 . 2]" 1
164 1 117 GLN HA 1 118 THR H 3.040 . 3.040 2.167 2.042 2.574 . 0 0 "[ . 1 . 2]" 1
165 1 117 GLN QG 1 118 THR H 4.360 . 4.360 4.044 1.765 4.380 0.035 12 0 "[ . 1 . 2]" 1
166 1 117 GLN QB 1 118 THR H 3.790 . 3.790 3.222 2.262 3.394 . 0 0 "[ . 1 . 2]" 1
167 1 97 THR H 1 98 LEU H 4.150 . 4.150 2.817 2.721 2.886 . 0 0 "[ . 1 . 2]" 1
168 1 98 LEU H 1 98 LEU QB 3.680 . 3.680 2.443 2.390 2.483 . 0 0 "[ . 1 . 2]" 1
169 1 21 ILE MG 1 22 GLU H 4.110 . 4.110 3.377 3.099 3.648 . 0 0 "[ . 1 . 2]" 1
170 1 98 LEU H 1 98 LEU QD 4.340 . 4.340 3.056 3.014 3.149 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASP QB 1 11 ASP H 3.840 . 3.840 3.161 1.930 3.904 0.064 1 0 "[ . 1 . 2]" 1
172 1 61 LEU H 1 62 ASP H 3.890 . 3.890 2.607 2.523 2.679 . 0 0 "[ . 1 . 2]" 1
173 1 85 ASN HA 1 88 GLU H 5.010 . 5.010 4.709 4.360 5.039 0.029 5 0 "[ . 1 . 2]" 1
174 1 62 ASP H 1 62 ASP HB2 3.410 . 3.410 2.555 2.454 2.647 . 0 0 "[ . 1 . 2]" 1
175 1 53 LEU HG 1 54 GLN H 4.220 . 4.220 3.873 3.712 4.085 . 0 0 "[ . 1 . 2]" 1
176 1 60 GLU H 1 61 LEU H 3.810 . 3.810 2.554 2.506 2.606 . 0 0 "[ . 1 . 2]" 1
177 1 57 ILE H 1 58 ILE H 4.170 . 4.170 2.816 2.728 2.860 . 0 0 "[ . 1 . 2]" 1
178 1 57 ILE HA 1 60 GLU H 4.160 . 4.160 3.793 3.564 4.100 . 0 0 "[ . 1 . 2]" 1
179 1 60 GLU H 1 60 GLU QG 3.840 . 3.840 3.190 2.118 4.027 0.187 16 0 "[ . 1 . 2]" 1
180 1 60 GLU H 1 60 GLU QB 3.510 . 3.510 2.325 2.161 2.613 . 0 0 "[ . 1 . 2]" 1
181 1 61 LEU QB 1 62 ASP H 3.970 . 3.970 2.409 2.304 2.504 . 0 0 "[ . 1 . 2]" 1
182 1 105 ASP H 1 106 LEU H 3.930 . 3.930 2.701 2.494 2.939 . 0 0 "[ . 1 . 2]" 1
183 1 104 LYS H 1 105 ASP H 3.800 . 3.800 2.777 2.674 2.869 . 0 0 "[ . 1 . 2]" 1
184 1 102 LEU HA 1 105 ASP H 4.490 . 4.490 3.471 3.235 3.660 . 0 0 "[ . 1 . 2]" 1
185 1 105 ASP H 1 105 ASP HB2 3.620 . 3.620 2.285 2.077 2.402 . 0 0 "[ . 1 . 2]" 1
186 1 105 ASP H 1 105 ASP HB3 3.830 . 3.830 3.008 2.691 3.546 . 0 0 "[ . 1 . 2]" 1
187 1 104 LYS HB3 1 105 ASP H 4.040 . 4.040 3.089 2.330 3.845 . 0 0 "[ . 1 . 2]" 1
188 1 104 LYS HB2 1 105 ASP H 4.040 . 4.040 3.321 2.565 4.059 0.019 3 0 "[ . 1 . 2]" 1
189 1 101 ILE MG 1 105 ASP H 3.980 . 3.980 4.025 3.826 4.117 0.137 16 0 "[ . 1 . 2]" 1
190 1 53 LEU H 1 54 GLN H 4.100 . 4.100 2.656 2.468 2.774 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLU HA 1 54 GLN H 4.270 . 4.270 4.377 4.292 4.438 0.168 2 0 "[ . 1 . 2]" 1
192 1 54 GLN H 1 54 GLN QB 3.670 . 3.670 2.228 2.182 2.290 . 0 0 "[ . 1 . 2]" 1
193 1 53 LEU MD1 1 54 GLN H 5.440 . 5.440 4.517 4.438 4.592 . 0 0 "[ . 1 . 2]" 1
194 1 53 LEU MD2 1 54 GLN H 5.440 . 5.440 4.312 4.213 4.471 . 0 0 "[ . 1 . 2]" 1
195 1 69 GLU H 1 70 GLY H 4.090 . 4.090 2.581 2.516 2.666 . 0 0 "[ . 1 . 2]" 1
196 1 70 GLY H 1 71 ALA H 4.010 . 4.010 2.658 2.615 2.713 . 0 0 "[ . 1 . 2]" 1
197 1 69 GLU HB2 1 70 GLY H 3.950 . 3.950 2.821 2.636 3.423 . 0 0 "[ . 1 . 2]" 1
198 1 69 GLU HB3 1 70 GLY H 4.470 . 4.470 3.545 2.832 3.744 . 0 0 "[ . 1 . 2]" 1
199 1 70 GLY H 1 71 ALA MB 4.480 . 4.480 4.357 4.320 4.396 . 0 0 "[ . 1 . 2]" 1
200 1 89 ARG H 1 90 PHE H 4.270 . 4.270 2.711 2.604 2.823 . 0 0 "[ . 1 . 2]" 1
201 1 90 PHE QD 1 91 ASN H 4.520 . 4.520 3.465 3.263 3.806 . 0 0 "[ . 1 . 2]" 1
202 1 90 PHE QB 1 91 ASN H 3.600 . 3.600 2.538 2.381 2.675 . 0 0 "[ . 1 . 2]" 1
203 1 91 ASN H 1 91 ASN HB2 3.890 . 3.890 2.374 2.185 2.486 . 0 0 "[ . 1 . 2]" 1
204 1 91 ASN H 1 91 ASN HB3 3.890 . 3.890 3.439 2.684 3.635 . 0 0 "[ . 1 . 2]" 1
205 1 30 LYS H 1 31 GLY H 3.920 . 3.920 2.648 2.588 2.697 . 0 0 "[ . 1 . 2]" 1
206 1 29 GLU H 1 30 LYS H 4.090 . 4.090 2.693 2.594 2.844 . 0 0 "[ . 1 . 2]" 1
207 1 85 ASN HA 1 86 ILE H 3.420 . 3.420 2.238 2.091 2.514 . 0 0 "[ . 1 . 2]" 1
208 1 85 ASN HB3 1 86 ILE H 4.420 . 4.420 3.642 2.144 4.228 . 0 0 "[ . 1 . 2]" 1
209 1 29 GLU QB 1 30 LYS H 3.660 . 3.660 2.444 2.205 2.650 . 0 0 "[ . 1 . 2]" 1
210 1 30 LYS H 1 30 LYS QB 3.320 . 3.320 2.233 2.154 2.441 . 0 0 "[ . 1 . 2]" 1
211 1 86 ILE H 1 86 ILE MG 4.660 . 4.660 3.772 3.739 3.785 . 0 0 "[ . 1 . 2]" 1
212 1 86 ILE H 1 86 ILE MD 4.820 . 4.820 3.091 1.775 3.613 0.025 3 0 "[ . 1 . 2]" 1
213 1 112 LYS H 1 113 VAL H 3.930 . 3.930 2.670 2.574 2.755 . 0 0 "[ . 1 . 2]" 1
214 1 113 VAL H 1 113 VAL HB 3.530 . 3.530 2.791 2.419 3.664 0.134 10 0 "[ . 1 . 2]" 1
215 1 112 LYS QB 1 113 VAL H 4.130 . 4.130 2.565 2.378 2.751 . 0 0 "[ . 1 . 2]" 1
216 1 113 VAL H 1 113 VAL MG2 3.890 . 3.890 2.765 1.948 3.813 . 0 0 "[ . 1 . 2]" 1
217 1 42 LEU H 1 42 LEU QB 3.380 . 3.380 2.178 2.025 2.221 . 0 0 "[ . 1 . 2]" 1
218 1 42 LEU H 1 42 LEU HG 4.770 . 4.770 4.447 4.285 4.569 . 0 0 "[ . 1 . 2]" 1
219 1 42 LEU H 1 42 LEU MD2 5.050 . 5.050 4.055 2.893 4.241 . 0 0 "[ . 1 . 2]" 1
220 1 25 ASN H 1 26 HIS H 4.440 . 4.440 2.623 2.478 2.747 . 0 0 "[ . 1 . 2]" 1
221 1 26 HIS H 1 26 HIS QB 3.560 . 3.560 2.271 2.111 2.444 . 0 0 "[ . 1 . 2]" 1
222 1 68 ILE H 1 68 ILE HB 3.730 . 3.730 2.178 2.152 2.199 . 0 0 "[ . 1 . 2]" 1
223 1 26 HIS H 1 27 ALA MB 4.700 . 4.700 4.295 4.211 4.394 . 0 0 "[ . 1 . 2]" 1
224 1 66 ALA MB 1 68 ILE H 5.030 . 5.030 4.389 4.336 4.465 . 0 0 "[ . 1 . 2]" 1
225 1 68 ILE H 1 68 ILE MG 4.070 . 4.070 3.543 3.500 3.575 . 0 0 "[ . 1 . 2]" 1
226 1 102 LEU H 1 103 LEU H 4.350 . 4.350 2.738 2.631 2.864 . 0 0 "[ . 1 . 2]" 1
227 1 103 LEU H 1 104 LYS H 4.080 . 4.080 2.746 2.666 2.842 . 0 0 "[ . 1 . 2]" 1
228 1 103 LEU H 1 103 LEU QB 3.270 . 3.270 2.339 2.160 2.487 . 0 0 "[ . 1 . 2]" 1
229 1 102 LEU QD 1 103 LEU H 4.160 . 4.160 3.789 3.042 4.098 . 0 0 "[ . 1 . 2]" 1
230 1 103 LEU H 1 103 LEU QD 4.360 . 4.360 2.711 2.254 3.104 . 0 0 "[ . 1 . 2]" 1
231 1 72 GLN QB 1 73 GLY H 4.020 . 4.020 2.808 2.369 3.505 . 0 0 "[ . 1 . 2]" 1
232 1 54 GLN QG 1 55 GLU H 3.810 . 3.810 3.374 3.006 3.767 . 0 0 "[ . 1 . 2]" 1
233 1 51 LYS H 1 52 GLU H 4.110 . 4.110 2.732 2.677 2.798 . 0 0 "[ . 1 . 2]" 1
234 1 52 GLU H 1 53 LEU H 3.780 . 3.780 2.713 2.524 2.797 . 0 0 "[ . 1 . 2]" 1
235 1 52 GLU H 1 52 GLU QB 3.270 . 3.270 2.537 2.268 2.745 . 0 0 "[ . 1 . 2]" 1
236 1 51 LYS QG 1 52 GLU H 4.430 . 4.430 1.968 1.716 2.984 0.084 13 0 "[ . 1 . 2]" 1
237 1 75 LEU H 1 76 GLU H 4.250 . 4.250 2.755 2.337 2.968 . 0 0 "[ . 1 . 2]" 1
238 1 76 GLU H 1 76 GLU QB 3.490 . 3.490 2.165 2.006 2.426 . 0 0 "[ . 1 . 2]" 1
239 1 76 GLU H 1 79 LEU HG 4.440 . 4.440 4.015 3.863 4.194 . 0 0 "[ . 1 . 2]" 1
240 1 76 GLU H 1 79 LEU QD 4.350 . 4.350 3.753 3.563 3.866 . 0 0 "[ . 1 . 2]" 1
241 1 93 GLU H 1 94 GLU H 4.090 . 4.090 2.776 2.656 2.877 . 0 0 "[ . 1 . 2]" 1
242 1 94 GLU H 1 95 ALA H 4.070 . 4.070 2.707 2.511 2.874 . 0 0 "[ . 1 . 2]" 1
243 1 91 ASN HA 1 94 GLU H 4.360 . 4.360 3.542 3.298 3.812 . 0 0 "[ . 1 . 2]" 1
244 1 94 GLU H 1 94 GLU QB 3.220 . 3.220 2.239 2.092 2.290 . 0 0 "[ . 1 . 2]" 1
245 1 51 LYS H 1 119 GLN H 4.300 . 4.300 3.565 3.140 4.367 0.067 9 0 "[ . 1 . 2]" 1
246 1 107 LYS H 1 108 GLU H 4.090 . 4.090 2.721 2.571 2.791 . 0 0 "[ . 1 . 2]" 1
247 1 118 THR HA 1 119 GLN H 3.130 . 3.130 2.565 2.190 2.816 . 0 0 "[ . 1 . 2]" 1
248 1 118 THR HB 1 119 GLN H 3.260 . 3.260 2.111 1.757 2.905 0.043 4 0 "[ . 1 . 2]" 1
249 1 108 GLU H 1 108 GLU QG 4.190 . 4.190 3.777 2.681 4.040 . 0 0 "[ . 1 . 2]" 1
250 1 108 GLU H 1 108 GLU QB 3.370 . 3.370 2.239 2.087 2.313 . 0 0 "[ . 1 . 2]" 1
251 1 51 LYS QB 1 119 GLN H 4.180 . 4.180 2.425 1.781 2.907 0.019 4 0 "[ . 1 . 2]" 1
252 1 119 GLN H 1 119 GLN QG 4.120 . 4.120 3.300 1.995 4.387 0.267 10 0 "[ . 1 . 2]" 1
253 1 48 ASN H 1 49 LYS H 3.790 . 3.790 2.386 2.270 2.622 . 0 0 "[ . 1 . 2]" 1
254 1 45 LEU H 1 46 ASN H 4.450 . 4.450 2.728 2.514 2.879 . 0 0 "[ . 1 . 2]" 1
255 1 45 LEU HA 1 48 ASN H 4.750 . 4.750 3.257 2.997 3.513 . 0 0 "[ . 1 . 2]" 1
256 1 46 ASN H 1 46 ASN HB2 3.830 . 3.830 2.404 2.163 3.742 . 0 0 "[ . 1 . 2]" 1
257 1 47 GLU QG 1 48 ASN H 4.440 . 4.440 3.773 2.328 4.526 0.086 2 0 "[ . 1 . 2]" 1
258 1 45 LEU QB 1 46 ASN H 3.820 . 3.820 2.664 2.389 2.812 . 0 0 "[ . 1 . 2]" 1
259 1 47 GLU QB 1 48 ASN H 3.990 . 3.990 2.629 2.488 3.467 . 0 0 "[ . 1 . 2]" 1
260 1 46 ASN H 1 116 ILE MD 4.790 . 4.790 4.520 4.244 4.773 . 0 0 "[ . 1 . 2]" 1
261 1 39 GLN H 1 39 GLN HB3 3.940 . 3.940 3.246 2.644 3.625 . 0 0 "[ . 1 . 2]" 1
262 1 56 LYS QB 1 57 ILE H 4.500 . 4.500 2.457 2.350 2.552 . 0 0 "[ . 1 . 2]" 1
263 1 39 GLN H 1 39 GLN HB2 3.940 . 3.940 2.404 2.182 2.561 . 0 0 "[ . 1 . 2]" 1
264 1 35 LEU MD1 1 39 GLN H 4.830 . 4.830 4.212 4.070 4.424 . 0 0 "[ . 1 . 2]" 1
265 1 35 LEU MD2 1 39 GLN H 5.010 . 5.010 3.479 3.297 3.626 . 0 0 "[ . 1 . 2]" 1
266 1 57 ILE H 1 57 ILE QG 3.960 . 3.960 2.362 2.210 3.672 . 0 0 "[ . 1 . 2]" 1
267 1 38 LEU QD 1 39 GLN H 4.930 . 4.930 3.895 2.569 4.245 . 0 0 "[ . 1 . 2]" 1
268 1 57 ILE H 1 57 ILE MD 5.110 . 5.110 3.635 2.478 3.757 . 0 0 "[ . 1 . 2]" 1
269 1 103 LEU HA 1 107 LYS H 4.360 . 4.360 4.045 3.783 4.242 . 0 0 "[ . 1 . 2]" 1
270 1 106 LEU QB 1 107 LYS H 4.120 . 4.120 2.355 2.176 2.561 . 0 0 "[ . 1 . 2]" 1
271 1 107 LYS H 1 107 LYS QD 4.250 . 4.250 3.425 2.250 4.218 . 0 0 "[ . 1 . 2]" 1
272 1 107 LYS H 1 107 LYS QG 3.800 . 3.800 2.711 1.948 3.999 0.199 6 0 "[ . 1 . 2]" 1
273 1 103 LEU QD 1 107 LYS H 5.050 . 5.050 4.739 4.070 5.113 0.063 7 0 "[ . 1 . 2]" 1
274 1 106 LEU QD 1 107 LYS H 5.260 . 5.260 3.839 3.091 4.005 . 0 0 "[ . 1 . 2]" 1
275 1 116 ILE HA 1 117 GLN H 3.430 . 3.430 2.125 1.989 2.275 . 0 0 "[ . 1 . 2]" 1
276 1 117 GLN H 1 117 GLN QB 3.710 . 3.710 2.613 2.144 2.830 . 0 0 "[ . 1 . 2]" 1
277 1 116 ILE MG 1 117 GLN H 3.900 . 3.900 2.978 2.516 3.161 . 0 0 "[ . 1 . 2]" 1
278 1 98 LEU H 1 99 SER H 4.530 . 4.530 2.534 2.435 2.621 . 0 0 "[ . 1 . 2]" 1
279 1 99 SER H 1 100 LYS H 4.360 . 4.360 2.791 2.642 2.936 . 0 0 "[ . 1 . 2]" 1
280 1 98 LEU QB 1 99 SER H 4.470 . 4.470 2.628 2.564 2.670 . 0 0 "[ . 1 . 2]" 1
281 1 28 ILE MG 1 99 SER H 4.170 . 4.170 3.621 3.108 4.082 . 0 0 "[ . 1 . 2]" 1
282 1 42 LEU HA 1 45 LEU H 4.380 . 4.380 3.364 3.215 3.533 . 0 0 "[ . 1 . 2]" 1
283 1 45 LEU H 1 45 LEU QB 3.640 . 3.640 2.240 2.122 2.316 . 0 0 "[ . 1 . 2]" 1
284 1 108 GLU HA 1 110 GLU H 5.010 . 5.010 4.721 4.448 4.988 . 0 0 "[ . 1 . 2]" 1
285 1 109 THR HB 1 110 GLU H 4.560 . 4.560 2.478 2.212 3.497 . 0 0 "[ . 1 . 2]" 1
286 1 95 ALA H 1 96 GLN H 4.060 . 4.060 2.653 2.503 2.793 . 0 0 "[ . 1 . 2]" 1
287 1 94 GLU HA 1 97 THR H 4.420 . 4.420 3.353 3.168 3.481 . 0 0 "[ . 1 . 2]" 1
288 1 97 THR H 1 97 THR HB 4.110 . 4.110 2.564 2.495 2.645 . 0 0 "[ . 1 . 2]" 1
289 1 96 GLN QB 1 97 THR H 4.420 . 4.420 2.598 2.384 2.775 . 0 0 "[ . 1 . 2]" 1
290 1 97 THR H 1 97 THR MG 4.430 . 4.430 3.776 3.754 3.798 . 0 0 "[ . 1 . 2]" 1
291 1 33 HIS QB 1 34 GLN H 3.970 . 3.970 2.526 2.350 2.855 . 0 0 "[ . 1 . 2]" 1
292 1 32 GLU H 1 33 HIS H 4.320 . 4.320 2.715 2.597 2.871 . 0 0 "[ . 1 . 2]" 1
293 1 32 GLU H 1 34 GLN QG 5.050 . 5.050 4.342 4.216 5.129 0.079 17 0 "[ . 1 . 2]" 1
294 1 32 GLU H 1 102 LEU QD 4.180 . 4.180 3.023 2.585 3.500 . 0 0 "[ . 1 . 2]" 1
295 1 27 ALA HA 1 31 GLY H 5.170 . 5.170 3.993 3.696 4.234 . 0 0 "[ . 1 . 2]" 1
296 1 29 GLU QB 1 31 GLY H 4.790 . 4.790 4.671 4.439 4.832 0.042 12 0 "[ . 1 . 2]" 1
297 1 30 LYS QB 1 31 GLY H 4.110 . 4.110 2.548 2.395 3.447 . 0 0 "[ . 1 . 2]" 1
298 1 31 GLY H 1 102 LEU QD 4.520 . 4.520 3.985 3.352 4.555 0.035 6 0 "[ . 1 . 2]" 1
299 1 34 GLN QG 1 35 LEU H 3.850 . 3.850 2.568 2.170 3.968 0.118 17 0 "[ . 1 . 2]" 1
300 1 34 GLN HB2 1 35 LEU H 4.540 . 4.540 3.931 2.429 4.146 . 0 0 "[ . 1 . 2]" 1
301 1 35 LEU H 1 35 LEU QB 3.700 . 3.700 2.234 2.212 2.255 . 0 0 "[ . 1 . 2]" 1
302 1 95 ALA MB 1 96 GLN H 3.430 . 3.430 2.447 2.334 2.534 . 0 0 "[ . 1 . 2]" 1
303 1 35 LEU H 1 35 LEU MD1 4.400 . 4.400 4.110 4.054 4.181 . 0 0 "[ . 1 . 2]" 1
304 1 35 LEU H 1 35 LEU MD2 4.740 . 4.740 4.147 4.109 4.184 . 0 0 "[ . 1 . 2]" 1
305 1 38 LEU H 1 39 GLN H 4.470 . 4.470 2.632 2.517 2.708 . 0 0 "[ . 1 . 2]" 1
306 1 37 TYR QB 1 38 LEU H 4.110 . 4.110 2.421 2.276 2.582 . 0 0 "[ . 1 . 2]" 1
307 1 38 LEU H 1 38 LEU QB 3.530 . 3.530 2.256 2.057 2.547 . 0 0 "[ . 1 . 2]" 1
308 1 35 LEU MD2 1 38 LEU H 4.970 . 4.970 4.317 4.077 4.545 . 0 0 "[ . 1 . 2]" 1
309 1 72 GLN H 1 73 GLY H 4.170 . 4.170 2.567 2.507 2.626 . 0 0 "[ . 1 . 2]" 1
310 1 71 ALA H 1 72 GLN H 4.000 . 4.000 2.549 2.487 2.596 . 0 0 "[ . 1 . 2]" 1
311 1 72 GLN H 1 72 GLN QB 3.500 . 3.500 2.325 2.071 2.576 . 0 0 "[ . 1 . 2]" 1
312 1 71 ALA MB 1 72 GLN H 3.630 . 3.630 2.598 2.519 2.645 . 0 0 "[ . 1 . 2]" 1
313 1 92 TYR H 1 93 GLU H 4.120 . 4.120 2.858 2.768 2.919 . 0 0 "[ . 1 . 2]" 1
314 1 92 TYR QB 1 93 GLU H 4.530 . 4.530 2.347 2.213 2.483 . 0 0 "[ . 1 . 2]" 1
315 1 64 VAL HB 1 65 CYS H 4.190 . 4.190 2.714 2.554 2.830 . 0 0 "[ . 1 . 2]" 1
316 1 64 VAL MG1 1 65 CYS H 4.310 . 4.310 3.464 3.218 3.684 . 0 0 "[ . 1 . 2]" 1
317 1 57 ILE HA 1 61 LEU H 4.450 . 4.450 4.033 3.707 4.229 . 0 0 "[ . 1 . 2]" 1
318 1 60 GLU QB 1 61 LEU H 4.420 . 4.420 2.848 2.694 3.580 . 0 0 "[ . 1 . 2]" 1
319 1 61 LEU H 1 61 LEU QB 3.720 . 3.720 2.197 2.097 2.262 . 0 0 "[ . 1 . 2]" 1
320 1 61 LEU H 1 61 LEU HG 4.800 . 4.800 4.475 4.304 4.603 . 0 0 "[ . 1 . 2]" 1
321 1 61 LEU H 1 61 LEU MD2 4.680 . 4.680 4.209 4.016 4.285 . 0 0 "[ . 1 . 2]" 1
322 1 49 LYS H 1 116 ILE QG 4.700 . 4.700 4.755 4.481 4.985 0.285 13 0 "[ . 1 . 2]" 1
323 1 106 LEU H 1 107 LYS H 4.230 . 4.230 2.679 2.593 2.843 . 0 0 "[ . 1 . 2]" 1
324 1 103 LEU HA 1 106 LEU H 4.420 . 4.420 3.380 3.206 3.579 . 0 0 "[ . 1 . 2]" 1
325 1 105 ASP HB2 1 106 LEU H 4.490 . 4.490 3.613 3.016 3.936 . 0 0 "[ . 1 . 2]" 1
326 1 106 LEU H 1 106 LEU QB 3.840 . 3.840 2.213 2.027 2.441 . 0 0 "[ . 1 . 2]" 1
327 1 35 LEU HG 1 106 LEU H 4.070 . 4.070 4.061 3.640 4.287 0.217 18 0 "[ . 1 . 2]" 1
328 1 35 LEU MD2 1 106 LEU H 4.080 . 4.080 3.794 3.551 4.134 0.054 19 0 "[ . 1 . 2]" 1
329 1 106 LEU H 1 106 LEU QD 4.250 . 4.250 3.020 2.255 3.675 . 0 0 "[ . 1 . 2]" 1
330 1 68 ILE H 1 69 GLU H 4.000 . 4.000 2.663 2.610 2.721 . 0 0 "[ . 1 . 2]" 1
331 1 69 GLU H 1 69 GLU HB2 3.550 . 3.550 2.329 2.133 2.433 . 0 0 "[ . 1 . 2]" 1
332 1 69 GLU H 1 69 GLU HB3 3.900 . 3.900 3.542 3.078 3.614 . 0 0 "[ . 1 . 2]" 1
333 1 68 ILE MG 1 69 GLU H 4.110 . 4.110 2.696 2.573 2.851 . 0 0 "[ . 1 . 2]" 1
334 1 85 ASN H 1 88 GLU QB 4.420 . 4.420 3.642 2.002 4.619 0.199 8 0 "[ . 1 . 2]" 1
335 1 84 LEU QD 1 85 ASN H 4.370 . 4.370 3.169 1.892 4.053 . 0 0 "[ . 1 . 2]" 1
336 1 3 GLN QB 1 3 GLN HE22 4.200 . 4.200 3.804 3.412 4.335 0.135 15 0 "[ . 1 . 2]" 1
337 1 21 ILE HA 1 21 ILE MD 3.790 . 3.790 1.911 1.861 2.045 . 0 0 "[ . 1 . 2]" 1
338 1 21 ILE MD 1 21 ILE MG 3.490 . 3.490 1.913 1.771 2.008 0.029 12 0 "[ . 1 . 2]" 1
339 1 21 ILE MD 1 79 LEU QD 3.560 . 3.560 2.869 2.393 3.197 . 0 0 "[ . 1 . 2]" 1
340 1 31 GLY H 1 68 ILE MD 4.910 . 4.910 4.500 3.612 4.842 . 0 0 "[ . 1 . 2]" 1
341 1 68 ILE H 1 68 ILE MD 4.090 . 4.090 2.571 2.495 2.688 . 0 0 "[ . 1 . 2]" 1
342 1 67 MET H 1 68 ILE MD 4.710 . 4.710 4.227 4.097 4.382 . 0 0 "[ . 1 . 2]" 1
343 1 27 ALA HA 1 68 ILE MD 5.110 . 5.110 4.715 4.130 5.202 0.092 13 0 "[ . 1 . 2]" 1
344 1 67 MET HA 1 68 ILE MD 5.500 . 5.500 4.745 4.686 4.807 . 0 0 "[ . 1 . 2]" 1
345 1 65 CYS HA 1 68 ILE MD 4.200 . 4.200 4.048 3.695 4.249 0.049 13 0 "[ . 1 . 2]" 1
346 1 68 ILE HA 1 68 ILE MD 3.380 . 3.380 2.264 2.206 2.361 . 0 0 "[ . 1 . 2]" 1
347 1 67 MET HB2 1 68 ILE MD 4.800 . 4.800 3.925 3.845 3.976 . 0 0 "[ . 1 . 2]" 1
348 1 68 ILE HB 1 68 ILE MD 3.500 . 3.500 2.442 2.418 2.486 . 0 0 "[ . 1 . 2]" 1
349 1 30 LYS QB 1 68 ILE MD 4.450 . 4.450 4.212 3.795 4.471 0.021 6 0 "[ . 1 . 2]" 1
350 1 30 LYS QD 1 68 ILE MD 3.780 . 3.780 3.604 2.530 3.949 0.169 12 0 "[ . 1 . 2]" 1
351 1 68 ILE MD 1 68 ILE MG 3.270 . 3.270 3.269 3.257 3.277 0.007 11 0 "[ . 1 . 2]" 1
352 1 116 ILE MG 1 118 THR H 4.440 . 4.440 3.958 3.789 4.533 0.093 15 0 "[ . 1 . 2]" 1
353 1 116 ILE H 1 116 ILE MG 4.050 . 4.050 3.501 3.094 3.612 . 0 0 "[ . 1 . 2]" 1
354 1 46 ASN HA 1 116 ILE MG 4.280 . 4.280 3.580 3.234 3.979 . 0 0 "[ . 1 . 2]" 1
355 1 116 ILE HA 1 116 ILE MG 3.500 . 3.500 2.786 2.703 2.998 . 0 0 "[ . 1 . 2]" 1
356 1 113 VAL HA 1 116 ILE MG 4.680 . 4.680 4.416 3.486 4.774 0.094 19 0 "[ . 1 . 2]" 1
357 1 49 LYS HD2 1 116 ILE MG 3.390 . 3.390 2.352 1.969 2.920 . 0 0 "[ . 1 . 2]" 1
358 1 49 LYS HD3 1 116 ILE MG 3.390 . 3.390 2.113 1.976 2.315 . 0 0 "[ . 1 . 2]" 1
359 1 77 ARG H 1 79 LEU QD 4.490 . 4.490 4.525 4.350 4.582 0.092 16 0 "[ . 1 . 2]" 1
360 1 21 ILE HA 1 79 LEU QD 3.950 . 3.950 3.942 3.623 4.082 0.132 2 0 "[ . 1 . 2]" 1
361 1 79 LEU QD 1 92 TYR QB 4.750 . 4.750 3.104 2.270 3.619 . 0 0 "[ . 1 . 2]" 1
362 1 79 LEU QD 1 80 LYS QE 4.640 . 4.640 2.933 2.116 3.962 . 0 0 "[ . 1 . 2]" 1
363 1 76 GLU QB 1 79 LEU QD 3.680 . 3.680 3.429 2.574 3.665 . 0 0 "[ . 1 . 2]" 1
364 1 79 LEU QD 1 80 LYS QG 3.190 . 3.190 2.359 1.934 3.490 0.300 11 0 "[ . 1 . 2]" 1
365 1 21 ILE HG12 1 79 LEU QD 4.440 . 4.440 4.144 3.794 4.470 0.030 13 0 "[ . 1 . 2]" 1
366 1 116 ILE HA 1 116 ILE MD 3.500 . 3.500 2.363 2.083 2.606 . 0 0 "[ . 1 . 2]" 1
367 1 113 VAL HA 1 116 ILE MD 3.520 . 3.520 3.191 2.506 3.656 0.136 12 0 "[ . 1 . 2]" 1
368 1 49 LYS QE 1 116 ILE MD 4.640 . 4.640 4.142 3.192 4.729 0.089 6 0 "[ . 1 . 2]" 1
369 1 46 ASN HB2 1 116 ILE MD 4.470 . 4.470 4.333 2.335 4.751 0.281 5 0 "[ . 1 . 2]" 1
370 1 116 ILE HB 1 116 ILE MD 2.850 . 2.850 2.406 2.330 2.466 . 0 0 "[ . 1 . 2]" 1
371 1 51 LYS H 1 118 THR MG 4.490 . 4.490 3.502 3.140 3.678 . 0 0 "[ . 1 . 2]" 1
372 1 118 THR MG 1 119 GLN H 3.860 . 3.860 3.435 3.231 3.746 . 0 0 "[ . 1 . 2]" 1
373 1 118 THR H 1 118 THR MG 3.620 . 3.620 2.956 2.656 3.538 . 0 0 "[ . 1 . 2]" 1
374 1 118 THR HA 1 118 THR MG 3.280 . 3.280 2.262 2.209 2.320 . 0 0 "[ . 1 . 2]" 1
375 1 49 LYS QB 1 118 THR MG 3.490 . 3.490 3.444 3.127 3.781 0.291 2 0 "[ . 1 . 2]" 1
376 1 86 ILE MD 1 87 LEU H 4.950 . 4.950 4.514 3.942 4.876 . 0 0 "[ . 1 . 2]" 1
377 1 101 ILE MD 1 102 LEU H 5.260 . 5.260 4.484 4.262 4.620 . 0 0 "[ . 1 . 2]" 1
378 1 101 ILE H 1 101 ILE MD 4.030 . 4.030 3.414 2.357 3.676 . 0 0 "[ . 1 . 2]" 1
379 1 98 LEU HA 1 101 ILE MD 3.670 . 3.670 2.470 2.049 3.650 . 0 0 "[ . 1 . 2]" 1
380 1 101 ILE HA 1 101 ILE MD 4.000 . 4.000 3.603 2.239 3.858 . 0 0 "[ . 1 . 2]" 1
381 1 28 ILE HB 1 28 ILE MD 3.630 . 3.630 2.426 2.261 2.452 . 0 0 "[ . 1 . 2]" 1
382 1 42 LEU MD2 1 43 ASP H 4.570 . 4.570 4.076 2.927 4.636 0.066 1 0 "[ . 1 . 2]" 1
383 1 103 LEU HA 1 106 LEU QD 3.440 . 3.440 2.815 2.067 3.711 0.271 4 0 "[ . 1 . 2]" 1
384 1 24 ALA HA 1 75 LEU QD 2.870 . 2.870 2.740 2.275 2.998 0.128 17 0 "[ . 1 . 2]" 1
385 1 35 LEU MD2 1 39 GLN HA 4.080 . 4.080 4.273 4.164 4.386 0.306 7 0 "[ . 1 . 2]" 1
386 1 35 LEU MD2 1 105 ASP HB2 4.810 . 4.810 4.368 3.363 4.853 0.043 19 0 "[ . 1 . 2]" 1
387 1 35 LEU MD2 1 105 ASP HB3 4.260 . 4.260 3.011 2.112 3.453 . 0 0 "[ . 1 . 2]" 1
388 1 28 ILE H 1 28 ILE MG 3.920 . 3.920 2.301 2.234 2.360 . 0 0 "[ . 1 . 2]" 1
389 1 28 ILE MG 1 99 SER HA 4.190 . 4.190 2.800 2.460 3.234 . 0 0 "[ . 1 . 2]" 1
390 1 28 ILE MD 1 99 SER H 4.830 . 4.830 4.476 3.958 4.870 0.040 15 0 "[ . 1 . 2]" 1
391 1 84 LEU QD 1 85 ASN HA 3.850 . 3.850 3.512 2.435 4.187 0.337 9 0 "[ . 1 . 2]" 1
392 1 35 LEU MD2 1 39 GLN HE21 4.300 . 4.300 2.741 2.090 3.434 . 0 0 "[ . 1 . 2]" 1
393 1 20 LEU H 1 20 LEU QD 4.480 . 4.480 2.551 1.743 3.008 0.057 3 0 "[ . 1 . 2]" 1
394 1 36 LEU H 1 36 LEU QD 4.120 . 4.120 2.982 2.114 3.090 . 0 0 "[ . 1 . 2]" 1
395 1 33 HIS HA 1 36 LEU QD 3.740 . 3.740 2.604 2.077 3.130 . 0 0 "[ . 1 . 2]" 1
396 1 33 HIS QB 1 36 LEU QD 4.480 . 4.480 4.090 3.482 4.644 0.164 10 0 "[ . 1 . 2]" 1
397 1 103 LEU QB 1 103 LEU QD 2.670 . 2.670 1.996 1.938 2.067 . 0 0 "[ . 1 . 2]" 1
398 1 57 ILE H 1 57 ILE MG 4.530 . 4.530 3.800 3.673 3.828 . 0 0 "[ . 1 . 2]" 1
399 1 57 ILE HA 1 57 ILE MG 3.520 . 3.520 2.497 2.424 2.775 . 0 0 "[ . 1 . 2]" 1
400 1 58 ILE MG 1 59 ARG H 3.580 . 3.580 2.707 2.253 3.531 . 0 0 "[ . 1 . 2]" 1
401 1 58 ILE MG 1 59 ARG HA 3.710 . 3.710 3.268 3.009 3.400 . 0 0 "[ . 1 . 2]" 1
402 1 86 ILE MG 1 87 LEU HA 4.110 . 4.110 3.359 2.973 3.541 . 0 0 "[ . 1 . 2]" 1
403 1 58 ILE HA 1 58 ILE MG 3.680 . 3.680 2.963 2.448 3.231 . 0 0 "[ . 1 . 2]" 1
404 1 58 ILE MG 1 59 ARG QD 4.380 . 4.380 2.502 1.826 3.782 . 0 0 "[ . 1 . 2]" 1
405 1 101 ILE MG 1 105 ASP HB2 3.930 . 3.930 3.586 3.275 3.968 0.038 20 0 "[ . 1 . 2]" 1
406 1 20 LEU QD 1 21 ILE H 4.810 . 4.810 3.672 1.767 4.063 0.033 12 0 "[ . 1 . 2]" 1
407 1 19 LEU HA 1 19 LEU QD 3.710 . 3.710 2.335 1.900 3.387 . 0 0 "[ . 1 . 2]" 1
408 1 32 GLU HA 1 102 LEU QD 3.190 . 3.190 2.376 2.036 2.922 . 0 0 "[ . 1 . 2]" 1
409 1 32 GLU QG 1 102 LEU QD 3.860 . 3.860 3.057 1.995 3.806 . 0 0 "[ . 1 . 2]" 1
410 1 72 GLN QG 1 103 LEU QD 4.240 . 4.240 3.525 2.524 4.150 . 0 0 "[ . 1 . 2]" 1
411 1 103 LEU QD 1 106 LEU QB 3.650 . 3.650 3.354 2.883 3.695 0.045 12 0 "[ . 1 . 2]" 1
412 1 72 GLN HE22 1 103 LEU QD 4.540 . 4.540 3.273 1.813 4.621 0.081 10 0 "[ . 1 . 2]" 1
413 1 65 CYS HA 1 68 ILE MG 3.410 . 3.410 3.439 3.386 3.472 0.062 19 0 "[ . 1 . 2]" 1
414 1 68 ILE MG 1 72 GLN QG 4.560 . 4.560 3.303 2.330 4.020 . 0 0 "[ . 1 . 2]" 1
415 1 68 ILE MG 1 72 GLN QB 4.530 . 4.530 3.195 2.891 3.795 . 0 0 "[ . 1 . 2]" 1
416 1 63 VAL MG2 1 64 VAL H 4.140 . 4.140 3.286 2.167 3.889 . 0 0 "[ . 1 . 2]" 1
417 1 63 VAL H 1 63 VAL MG2 3.940 . 3.940 2.613 2.016 3.807 . 0 0 "[ . 1 . 2]" 1
418 1 60 GLU HA 1 63 VAL MG2 4.710 . 4.710 3.037 1.915 4.531 . 0 0 "[ . 1 . 2]" 1
419 1 63 VAL HA 1 63 VAL MG2 3.370 . 3.370 2.626 2.292 3.224 . 0 0 "[ . 1 . 2]" 1
420 1 53 LEU HA 1 53 LEU MD2 4.670 . 4.670 3.886 3.861 3.917 . 0 0 "[ . 1 . 2]" 1
421 1 113 VAL H 1 113 VAL MG1 3.890 . 3.890 2.785 1.988 3.780 . 0 0 "[ . 1 . 2]" 1
422 1 109 THR MG 1 110 GLU H 4.330 . 4.330 3.527 3.259 4.137 . 0 0 "[ . 1 . 2]" 1
423 1 109 THR H 1 109 THR MG 4.160 . 4.160 3.627 2.683 3.806 . 0 0 "[ . 1 . 2]" 1
424 1 109 THR HA 1 109 THR MG 3.260 . 3.260 2.328 2.139 2.395 . 0 0 "[ . 1 . 2]" 1
425 1 64 VAL H 1 64 VAL MG2 3.200 . 3.200 2.209 2.040 2.346 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLN QG 1 64 VAL MG1 3.540 . 3.540 2.541 2.030 3.201 . 0 0 "[ . 1 . 2]" 1
427 1 63 VAL H 1 63 VAL MG1 3.940 . 3.940 2.801 1.934 3.787 . 0 0 "[ . 1 . 2]" 1
428 1 60 GLU HA 1 63 VAL MG1 4.710 . 4.710 3.221 1.785 4.301 0.015 15 0 "[ . 1 . 2]" 1
429 1 63 VAL HA 1 63 VAL MG1 3.370 . 3.370 2.646 2.334 3.224 . 0 0 "[ . 1 . 2]" 1
430 1 86 ILE HA 1 86 ILE HG13 4.170 . 4.170 3.044 2.380 3.771 . 0 0 "[ . 1 . 2]" 1
431 1 82 THR H 1 82 THR MG 3.900 . 3.900 3.503 2.251 4.028 0.128 7 0 "[ . 1 . 2]" 1
432 1 97 THR MG 1 98 LEU H 3.930 . 3.930 3.368 3.150 3.482 . 0 0 "[ . 1 . 2]" 1
433 1 97 THR MG 1 101 ILE H 4.460 . 4.460 4.386 4.252 4.495 0.035 17 0 "[ . 1 . 2]" 1
434 1 82 THR HA 1 82 THR MG 2.860 . 2.860 2.386 2.210 3.180 0.320 11 0 "[ . 1 . 2]" 1
435 1 94 GLU HA 1 97 THR MG 4.030 . 4.030 3.841 3.567 3.967 . 0 0 "[ . 1 . 2]" 1
436 1 97 THR MG 1 101 ILE HA 5.500 . 5.500 5.610 5.554 5.663 0.163 1 0 "[ . 1 . 2]" 1
437 1 94 GLU QG 1 97 THR MG 4.370 . 4.370 4.311 3.868 4.575 0.205 17 0 "[ . 1 . 2]" 1
438 1 97 THR MG 1 98 LEU HG 3.980 . 3.980 3.828 3.519 4.006 0.026 7 0 "[ . 1 . 2]" 1
439 1 97 THR MG 1 101 ILE MD 2.950 . 2.950 2.395 2.226 2.580 . 0 0 "[ . 1 . 2]" 1
440 1 49 LYS H 1 49 LYS QG 4.680 . 4.680 3.345 2.656 4.434 . 0 0 "[ . 1 . 2]" 1
441 1 30 LYS H 1 30 LYS QG 4.760 . 4.760 3.877 2.405 4.018 . 0 0 "[ . 1 . 2]" 1
442 1 30 LYS HA 1 30 LYS QG 3.810 . 3.810 2.538 2.311 3.359 . 0 0 "[ . 1 . 2]" 1
443 1 111 GLN HA 1 114 LYS QG 4.750 . 4.750 2.842 2.023 4.379 . 0 0 "[ . 1 . 2]" 1
444 1 51 LYS HA 1 51 LYS QG 3.390 . 3.390 3.440 3.273 3.525 0.135 19 0 "[ . 1 . 2]" 1
445 1 9 LYS QG 1 10 ASP QB 3.810 . 3.810 3.350 2.500 4.154 0.344 18 0 "[ . 1 . 2]" 1
446 1 51 LYS QG 1 52 GLU QG 4.000 . 4.000 2.792 2.069 3.940 . 0 0 "[ . 1 . 2]" 1
447 1 51 LYS H 1 51 LYS QG 4.730 . 4.730 2.551 1.665 3.102 0.135 18 0 "[ . 1 . 2]" 1
448 1 104 LYS H 1 104 LYS QG 4.730 . 4.730 3.177 2.207 4.037 . 0 0 "[ . 1 . 2]" 1
449 1 68 ILE QG 1 72 GLN QB 5.500 . 5.500 4.897 4.468 5.709 0.209 17 0 "[ . 1 . 2]" 1
450 1 24 ALA MB 1 25 ASN H 3.940 . 3.940 2.434 2.289 2.554 . 0 0 "[ . 1 . 2]" 1
451 1 24 ALA H 1 24 ALA MB 3.500 . 3.500 2.236 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
452 1 24 ALA MB 1 26 HIS H 5.130 . 5.130 4.417 4.214 4.599 . 0 0 "[ . 1 . 2]" 1
453 1 68 ILE H 1 71 ALA MB 5.500 . 5.500 4.974 4.867 5.076 . 0 0 "[ . 1 . 2]" 1
454 1 71 ALA H 1 71 ALA MB 3.420 . 3.420 2.248 2.224 2.270 . 0 0 "[ . 1 . 2]" 1
455 1 21 ILE HA 1 24 ALA MB 3.160 . 3.160 2.477 2.148 2.755 . 0 0 "[ . 1 . 2]" 1
456 1 68 ILE HA 1 71 ALA MB 3.500 . 3.500 2.994 2.772 3.183 . 0 0 "[ . 1 . 2]" 1
457 1 27 ALA MB 1 28 ILE QG 3.970 . 3.970 3.990 3.955 4.034 0.064 18 0 "[ . 1 . 2]" 1
458 1 21 ILE HG12 1 24 ALA MB 5.040 . 5.040 4.802 4.532 5.069 0.029 4 0 "[ . 1 . 2]" 1
459 1 21 ILE HG13 1 24 ALA MB 5.500 . 5.500 5.306 4.927 5.579 0.079 4 0 "[ . 1 . 2]" 1
460 1 24 ALA MB 1 75 LEU QD 3.160 . 3.160 2.044 1.812 2.322 . 0 0 "[ . 1 . 2]" 1
461 1 21 ILE MD 1 24 ALA MB 3.860 . 3.860 2.953 2.671 3.209 . 0 0 "[ . 1 . 2]" 1
462 1 27 ALA H 1 27 ALA MB 3.210 . 3.210 2.176 2.129 2.215 . 0 0 "[ . 1 . 2]" 1
463 1 66 ALA MB 1 67 MET HB3 3.830 . 3.830 3.878 3.845 3.904 0.074 15 0 "[ . 1 . 2]" 1
464 1 66 ALA MB 1 67 MET ME 4.900 . 4.900 4.323 4.159 4.464 . 0 0 "[ . 1 . 2]" 1
465 1 94 GLU QB 1 95 ALA MB 4.080 . 4.080 3.865 3.705 3.970 . 0 0 "[ . 1 . 2]" 1
466 1 27 ALA MB 1 28 ILE MG 3.160 . 3.160 3.119 3.048 3.175 0.015 17 0 "[ . 1 . 2]" 1
467 1 73 GLY H 1 74 ALA MB 4.980 . 4.980 4.287 4.230 4.379 . 0 0 "[ . 1 . 2]" 1
468 1 94 GLU H 1 95 ALA MB 5.300 . 5.300 4.336 4.190 4.462 . 0 0 "[ . 1 . 2]" 1
469 1 64 VAL H 1 66 ALA MB 4.680 . 4.680 4.751 4.703 4.811 0.131 11 0 "[ . 1 . 2]" 1
470 1 66 ALA MB 1 67 MET H 3.300 . 3.300 2.378 2.319 2.465 . 0 0 "[ . 1 . 2]" 1
471 1 92 TYR HA 1 95 ALA MB 3.710 . 3.710 2.843 2.440 3.040 . 0 0 "[ . 1 . 2]" 1
472 1 62 ASP HA 1 66 ALA MB 4.640 . 4.640 4.480 4.108 4.654 0.014 6 0 "[ . 1 . 2]" 1
473 1 91 ASN HA 1 95 ALA MB 5.030 . 5.030 4.507 4.220 4.874 . 0 0 "[ . 1 . 2]" 1
474 1 63 VAL HA 1 66 ALA MB 3.400 . 3.400 2.724 2.604 2.938 . 0 0 "[ . 1 . 2]" 1
475 1 66 ALA MB 1 67 MET QG 4.180 . 4.180 4.225 4.180 4.265 0.085 18 0 "[ . 1 . 2]" 1
476 1 21 ILE HG12 1 95 ALA MB 5.280 . 5.280 5.220 4.921 5.406 0.126 18 0 "[ . 1 . 2]" 1
477 1 21 ILE MD 1 95 ALA MB 3.980 . 3.980 2.643 2.361 2.877 . 0 0 "[ . 1 . 2]" 1
478 1 13 ARG HA 1 13 ARG QG 3.810 . 3.810 2.650 2.345 3.363 . 0 0 "[ . 1 . 2]" 1
479 1 45 LEU HG 1 54 GLN H 5.090 . 5.090 5.013 3.921 5.222 0.132 11 0 "[ . 1 . 2]" 1
480 1 44 GLU QG 1 53 LEU HG 5.420 . 5.420 5.086 4.365 5.453 0.033 15 0 "[ . 1 . 2]" 1
481 1 53 LEU HG 1 56 LYS QB 5.200 . 5.200 4.582 4.433 4.753 . 0 0 "[ . 1 . 2]" 1
482 1 49 LYS HD3 1 116 ILE HA 4.470 . 4.470 4.510 4.406 4.706 0.236 6 0 "[ . 1 . 2]" 1
483 1 49 LYS HA 1 49 LYS HD3 4.310 . 4.310 2.147 1.904 2.277 . 0 0 "[ . 1 . 2]" 1
484 1 49 LYS HD3 1 117 GLN QG 4.910 . 4.910 4.611 3.554 4.940 0.030 12 0 "[ . 1 . 2]" 1
485 1 51 LYS QD 1 52 GLU QG 4.940 . 4.940 3.758 2.632 5.053 0.113 3 0 "[ . 1 . 2]" 1
486 1 87 LEU QB 1 90 PHE H 5.300 . 5.300 5.053 4.952 5.161 . 0 0 "[ . 1 . 2]" 1
487 1 85 ASN HB3 1 87 LEU QB 4.260 . 4.260 4.055 3.633 4.386 0.126 1 0 "[ . 1 . 2]" 1
488 1 87 LEU QB 1 88 GLU QB 4.530 . 4.530 4.363 4.183 4.495 . 0 0 "[ . 1 . 2]" 1
489 1 112 LYS H 1 114 LYS QD 5.440 . 5.440 5.200 4.609 5.527 0.087 9 0 "[ . 1 . 2]" 1
490 1 114 LYS QD 1 115 ASP H 5.500 . 5.500 4.733 4.348 5.140 . 0 0 "[ . 1 . 2]" 1
491 1 51 LYS QD 1 119 GLN HA 4.230 . 4.230 3.857 2.039 4.473 0.243 19 0 "[ . 1 . 2]" 1
492 1 51 LYS HA 1 51 LYS QD 4.070 . 4.070 3.782 3.598 4.268 0.198 13 0 "[ . 1 . 2]" 1
493 1 101 ILE HA 1 104 LYS QD 4.530 . 4.530 4.052 2.111 4.674 0.144 11 0 "[ . 1 . 2]" 1
494 1 80 LYS QB 1 80 LYS QD 3.000 . 3.000 2.399 2.309 2.836 . 0 0 "[ . 1 . 2]" 1
495 1 114 LYS QB 1 114 LYS QD 3.170 . 3.170 2.216 2.097 2.338 . 0 0 "[ . 1 . 2]" 1
496 1 111 GLN H 1 114 LYS QD 4.330 . 4.330 4.098 3.537 4.396 0.066 20 0 "[ . 1 . 2]" 1
497 1 59 ARG H 1 59 ARG HG3 4.470 . 4.470 4.204 3.728 4.496 0.026 4 0 "[ . 1 . 2]" 1
498 1 20 LEU QB 1 21 ILE H 4.150 . 4.150 2.334 1.820 3.430 . 0 0 "[ . 1 . 2]" 1
499 1 20 LEU QB 1 21 ILE HA 4.200 . 4.200 3.833 3.727 4.075 . 0 0 "[ . 1 . 2]" 1
500 1 84 LEU QB 1 85 ASN HA 4.810 . 4.810 4.699 4.197 5.063 0.253 5 0 "[ . 1 . 2]" 1
501 1 80 LYS H 1 80 LYS QD 4.530 . 4.530 3.859 3.060 4.255 . 0 0 "[ . 1 . 2]" 1
502 1 49 LYS HD2 1 117 GLN QG 4.910 . 4.910 3.171 2.085 3.582 . 0 0 "[ . 1 . 2]" 1
503 1 49 LYS HD2 1 116 ILE HA 4.470 . 4.470 4.273 3.796 4.523 0.053 8 0 "[ . 1 . 2]" 1
504 1 49 LYS HA 1 49 LYS HD2 4.310 . 4.310 3.252 2.863 3.647 . 0 0 "[ . 1 . 2]" 1
505 1 51 LYS QB 1 118 THR HB 3.900 . 3.900 2.019 1.821 2.333 . 0 0 "[ . 1 . 2]" 1
506 1 102 LEU QB 1 103 LEU H 4.740 . 4.740 2.441 2.322 2.564 . 0 0 "[ . 1 . 2]" 1
507 1 103 LEU QB 1 104 LYS H 4.460 . 4.460 2.589 2.441 2.734 . 0 0 "[ . 1 . 2]" 1
508 1 33 HIS HA 1 36 LEU QB 4.410 . 4.410 3.443 2.770 4.420 0.010 20 0 "[ . 1 . 2]" 1
509 1 102 LEU HA 1 103 LEU QB 5.500 . 5.500 5.402 5.302 5.488 . 0 0 "[ . 1 . 2]" 1
510 1 99 SER HA 1 102 LEU QB 4.840 . 4.840 2.759 2.394 2.998 . 0 0 "[ . 1 . 2]" 1
511 1 103 LEU QB 1 107 LYS QB 5.500 . 5.500 4.788 4.100 5.257 . 0 0 "[ . 1 . 2]" 1
512 1 103 LEU QB 1 106 LEU QB 5.500 . 5.500 4.187 3.914 4.441 . 0 0 "[ . 1 . 2]" 1
513 1 101 ILE H 1 101 ILE HG12 4.500 . 4.500 3.538 3.362 4.041 . 0 0 "[ . 1 . 2]" 1
514 1 86 ILE H 1 86 ILE HB 3.720 . 3.720 2.573 2.398 2.676 . 0 0 "[ . 1 . 2]" 1
515 1 85 ASN HA 1 86 ILE HB 5.110 . 5.110 4.778 4.539 5.084 . 0 0 "[ . 1 . 2]" 1
516 1 86 ILE HB 1 87 LEU HA 4.740 . 4.740 4.304 4.123 4.565 . 0 0 "[ . 1 . 2]" 1
517 1 56 LYS QB 1 57 ILE HB 4.660 . 4.660 4.621 4.448 4.724 0.064 17 0 "[ . 1 . 2]" 1
518 1 54 GLN HA 1 57 ILE HB 4.680 . 4.680 2.802 2.633 3.054 . 0 0 "[ . 1 . 2]" 1
519 1 107 LYS QB 1 107 LYS QD 3.390 . 3.390 2.352 2.072 2.794 . 0 0 "[ . 1 . 2]" 1
520 1 78 GLU H 1 80 LYS QB 4.480 . 4.480 4.683 4.604 4.855 0.375 17 0 "[ . 1 . 2]" 1
521 1 93 GLU QB 1 94 GLU H 4.240 . 4.240 2.581 2.313 3.487 . 0 0 "[ . 1 . 2]" 1
522 1 112 LYS H 1 112 LYS QD 4.150 . 4.150 3.462 2.246 4.449 0.299 17 0 "[ . 1 . 2]" 1
523 1 112 LYS HA 1 112 LYS QD 4.430 . 4.430 3.050 1.876 4.226 . 0 0 "[ . 1 . 2]" 1
524 1 95 ALA HA 1 98 LEU QB 4.790 . 4.790 3.088 2.890 3.403 . 0 0 "[ . 1 . 2]" 1
525 1 98 LEU HA 1 101 ILE HB 4.220 . 4.220 2.681 2.406 2.858 . 0 0 "[ . 1 . 2]" 1
526 1 41 GLN H 1 41 GLN QG 3.810 . 3.810 2.440 2.023 3.822 0.012 16 0 "[ . 1 . 2]" 1
527 1 41 GLN HA 1 41 GLN QG 3.670 . 3.670 2.755 2.317 3.026 . 0 0 "[ . 1 . 2]" 1
528 1 94 GLU QB 1 95 ALA H 3.750 . 3.750 2.600 2.464 2.759 . 0 0 "[ . 1 . 2]" 1
529 1 49 LYS QB 1 50 SER HA 5.380 . 5.380 4.234 4.136 4.330 . 0 0 "[ . 1 . 2]" 1
530 1 49 LYS QB 1 118 THR HA 5.500 . 5.500 3.683 2.704 4.810 . 0 0 "[ . 1 . 2]" 1
531 1 44 GLU QG 1 53 LEU QB 5.250 . 5.250 4.997 4.586 5.265 0.015 20 0 "[ . 1 . 2]" 1
532 1 32 GLU QB 1 102 LEU QD 4.170 . 4.170 2.817 2.161 3.982 . 0 0 "[ . 1 . 2]" 1
533 1 45 LEU QB 1 53 LEU HG 4.700 . 4.700 3.045 2.729 3.395 . 0 0 "[ . 1 . 2]" 1
534 1 75 LEU QB 1 79 LEU QD 4.660 . 4.660 3.184 2.186 3.630 . 0 0 "[ . 1 . 2]" 1
535 1 66 ALA HA 1 68 ILE HB 5.500 . 5.500 5.471 5.298 5.560 0.060 15 0 "[ . 1 . 2]" 1
536 1 110 GLU QG 1 114 LYS QD 4.090 . 4.090 2.753 1.757 4.155 0.065 18 0 "[ . 1 . 2]" 1
537 1 54 GLN QG 1 118 THR MG 4.640 . 4.640 3.466 2.709 4.201 . 0 0 "[ . 1 . 2]" 1
538 1 42 LEU HA 1 45 LEU QB 4.700 . 4.700 2.471 2.256 2.858 . 0 0 "[ . 1 . 2]" 1
539 1 67 MET ME 1 68 ILE H 4.390 . 4.390 4.490 4.462 4.517 0.127 2 0 "[ . 1 . 2]" 1
540 1 64 VAL H 1 67 MET ME 4.300 . 4.300 3.657 3.468 3.803 . 0 0 "[ . 1 . 2]" 1
541 1 67 MET H 1 67 MET ME 4.020 . 4.020 3.444 3.334 3.563 . 0 0 "[ . 1 . 2]" 1
542 1 67 MET HB2 1 67 MET ME 3.750 . 3.750 3.031 2.948 3.138 . 0 0 "[ . 1 . 2]" 1
543 1 64 VAL MG2 1 67 MET ME 2.850 . 2.850 2.719 2.501 2.850 0.000 16 0 "[ . 1 . 2]" 1
544 1 67 MET ME 1 68 ILE MD 3.760 . 3.760 3.912 3.839 3.977 0.217 4 0 "[ . 1 . 2]" 1
545 1 34 GLN HB3 1 35 LEU H 4.540 . 4.540 4.057 3.434 4.212 . 0 0 "[ . 1 . 2]" 1
546 1 44 GLU QB 1 45 LEU H 4.310 . 4.310 2.505 2.305 2.797 . 0 0 "[ . 1 . 2]" 1
547 1 29 GLU H 1 29 GLU QB 3.620 . 3.620 2.244 2.116 2.466 . 0 0 "[ . 1 . 2]" 1
548 1 57 ILE HA 1 61 LEU QB 4.790 . 4.790 4.235 3.847 4.587 . 0 0 "[ . 1 . 2]" 1
549 1 67 MET QG 1 68 ILE QG 4.210 . 4.210 3.750 3.698 3.788 . 0 0 "[ . 1 . 2]" 1
550 1 56 LYS QB 1 57 ILE QG 4.570 . 4.570 3.240 3.018 4.614 0.044 9 0 "[ . 1 . 2]" 1
551 1 106 LEU QB 1 107 LYS QD 4.940 . 4.940 4.124 2.766 5.146 0.206 13 0 "[ . 1 . 2]" 1
552 1 76 GLU QB 1 77 ARG H 3.990 . 3.990 2.545 2.284 3.508 . 0 0 "[ . 1 . 2]" 1
553 1 4 GLU H 1 4 GLU QG 4.240 . 4.240 3.379 2.076 4.143 . 0 0 "[ . 1 . 2]" 1
554 1 4 GLU QG 1 5 HIS H 4.660 . 4.660 3.695 2.331 4.606 . 0 0 "[ . 1 . 2]" 1
555 1 111 GLN QB 1 114 LYS QB 5.500 . 5.500 5.068 4.083 5.671 0.171 2 0 "[ . 1 . 2]" 1
556 1 105 ASP HA 1 108 GLU QB 3.740 . 3.740 2.452 2.179 2.804 . 0 0 "[ . 1 . 2]" 1
557 1 23 GLN QB 1 24 ALA MB 4.830 . 4.830 3.810 3.566 4.004 . 0 0 "[ . 1 . 2]" 1
558 1 71 ALA MB 1 72 GLN QB 5.120 . 5.120 3.988 3.812 4.388 . 0 0 "[ . 1 . 2]" 1
559 1 63 VAL H 1 64 VAL HB 5.000 . 5.000 4.951 4.784 5.039 0.039 1 0 "[ . 1 . 2]" 1
560 1 110 GLU HA 1 113 VAL HB 4.660 . 4.660 3.734 2.337 4.873 0.213 12 0 "[ . 1 . 2]" 1
561 1 44 GLU QG 1 45 LEU H 4.780 . 4.780 3.534 3.297 3.896 . 0 0 "[ . 1 . 2]" 1
562 1 52 GLU H 1 52 GLU QG 3.700 . 3.700 2.132 1.776 2.590 0.024 18 0 "[ . 1 . 2]" 1
563 1 22 GLU H 1 22 GLU QG 4.380 . 4.380 3.098 1.833 4.049 . 0 0 "[ . 1 . 2]" 1
564 1 44 GLU H 1 44 GLU QG 3.930 . 3.930 3.975 3.943 4.033 0.103 15 0 "[ . 1 . 2]" 1
565 1 44 GLU HA 1 44 GLU QG 3.420 . 3.420 2.643 2.347 3.057 . 0 0 "[ . 1 . 2]" 1
566 1 19 LEU HG 1 22 GLU QG 4.340 . 4.340 4.078 3.125 4.677 0.337 7 0 "[ . 1 . 2]" 1
567 1 19 LEU QD 1 22 GLU QG 3.830 . 3.830 2.954 1.760 3.975 0.145 13 0 "[ . 1 . 2]" 1
568 1 19 LEU H 1 22 GLU QG 4.840 . 4.840 3.877 2.110 5.202 0.362 2 0 "[ . 1 . 2]" 1
569 1 19 LEU QB 1 22 GLU QG 4.070 . 4.070 2.794 1.774 4.503 0.433 15 0 "[ . 1 . 2]" 1
570 1 63 VAL HB 1 64 VAL H 4.330 . 4.330 3.342 2.461 4.037 . 0 0 "[ . 1 . 2]" 1
571 1 63 VAL HB 1 66 ALA MB 5.080 . 5.080 4.800 4.189 5.306 0.226 18 0 "[ . 1 . 2]" 1
572 1 52 GLU QG 1 53 LEU H 4.790 . 4.790 3.222 1.959 4.240 . 0 0 "[ . 1 . 2]" 1
573 1 51 LYS QE 1 52 GLU QG 4.430 . 4.430 3.315 2.369 4.285 . 0 0 "[ . 1 . 2]" 1
574 1 51 LYS QB 1 52 GLU QG 4.870 . 4.870 4.443 3.786 4.884 0.014 7 0 "[ . 1 . 2]" 1
575 1 94 GLU QG 1 98 LEU HG 4.530 . 4.530 3.121 2.605 4.541 0.011 8 0 "[ . 1 . 2]" 1
576 1 87 LEU QD 1 88 GLU QG 4.250 . 4.250 3.719 2.961 4.415 0.165 10 0 "[ . 1 . 2]" 1
577 1 51 LYS QD 1 119 GLN QG 4.280 . 4.280 3.531 2.665 4.466 0.186 2 0 "[ . 1 . 2]" 1
578 1 76 GLU H 1 76 GLU QG 3.950 . 3.950 3.130 2.272 3.958 0.008 10 0 "[ . 1 . 2]" 1
579 1 76 GLU QG 1 77 ARG H 4.540 . 4.540 3.943 2.046 4.382 . 0 0 "[ . 1 . 2]" 1
580 1 76 GLU HA 1 76 GLU QG 3.590 . 3.590 2.539 2.132 3.464 . 0 0 "[ . 1 . 2]" 1
581 1 76 GLU QB 1 76 GLU QG 2.400 . 2.400 2.018 1.982 2.093 . 0 0 "[ . 1 . 2]" 1
582 1 75 LEU QD 1 76 GLU QG 4.630 . 4.630 4.526 3.740 4.970 0.340 15 0 "[ . 1 . 2]" 1
583 1 110 GLU QB 1 114 LYS QD 4.260 . 4.260 3.801 2.805 4.353 0.093 20 0 "[ . 1 . 2]" 1
584 1 23 GLN H 1 23 GLN QG 4.180 . 4.180 3.093 2.058 4.092 . 0 0 "[ . 1 . 2]" 1
585 1 111 GLN QG 1 114 LYS QD 4.420 . 4.420 3.793 2.663 4.612 0.192 13 0 "[ . 1 . 2]" 1
586 1 117 GLN QG 1 118 THR MG 4.390 . 4.390 4.498 4.326 4.612 0.222 13 0 "[ . 1 . 2]" 1
587 1 117 GLN H 1 117 GLN QG 3.970 . 3.970 2.158 1.901 3.892 . 0 0 "[ . 1 . 2]" 1
588 1 117 GLN HA 1 117 GLN QG 3.650 . 3.650 3.310 2.514 3.457 . 0 0 "[ . 1 . 2]" 1
589 1 96 GLN QG 1 100 LYS QG 4.860 . 4.860 4.112 2.515 4.933 0.073 6 0 "[ . 1 . 2]" 1
590 1 72 GLN H 1 72 GLN QG 4.070 . 4.070 3.139 2.270 3.973 . 0 0 "[ . 1 . 2]" 1
591 1 34 GLN H 1 34 GLN QG 3.530 . 3.530 2.193 1.997 2.400 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLN HA 1 34 GLN QG 3.610 . 3.610 3.442 2.800 3.514 . 0 0 "[ . 1 . 2]" 1
593 1 72 GLN HA 1 72 GLN QG 3.580 . 3.580 2.650 2.198 3.469 . 0 0 "[ . 1 . 2]" 1
594 1 68 ILE QG 1 72 GLN QG 5.350 . 5.350 5.028 3.881 5.570 0.220 4 0 "[ . 1 . 2]" 1
595 1 71 ALA MB 1 72 GLN QG 5.500 . 5.500 4.418 3.361 5.066 . 0 0 "[ . 1 . 2]" 1
596 1 32 GLU H 1 32 GLU QG 4.240 . 4.240 3.662 2.150 4.009 . 0 0 "[ . 1 . 2]" 1
597 1 55 GLU H 1 55 GLU QG 3.610 . 3.610 2.898 2.014 3.913 0.303 18 0 "[ . 1 . 2]" 1
598 1 108 GLU QG 1 109 THR H 4.720 . 4.720 3.838 3.404 4.608 . 0 0 "[ . 1 . 2]" 1
599 1 26 HIS HA 1 29 GLU QG 4.460 . 4.460 4.006 2.596 4.488 0.028 3 0 "[ . 1 . 2]" 1
600 1 105 ASP HA 1 108 GLU QG 4.930 . 4.930 3.972 2.819 4.832 . 0 0 "[ . 1 . 2]" 1
601 1 108 GLU HA 1 108 GLU QG 3.530 . 3.530 2.663 2.375 3.071 . 0 0 "[ . 1 . 2]" 1
602 1 108 GLU QG 1 112 LYS QE 4.010 . 4.010 3.188 1.890 4.359 0.349 3 0 "[ . 1 . 2]" 1
603 1 108 GLU QB 1 108 GLU QG 2.400 . 2.400 2.036 1.976 2.097 . 0 0 "[ . 1 . 2]" 1
604 1 32 GLU QG 1 36 LEU QD 3.900 . 3.900 2.742 2.212 4.100 0.200 14 0 "[ . 1 . 2]" 1
605 1 9 LYS QD 1 10 ASP QB 4.670 . 4.670 4.323 2.798 5.075 0.405 6 0 "[ . 1 . 2]" 1
606 1 69 GLU H 1 69 GLU QG 3.840 . 3.840 2.594 2.350 3.699 . 0 0 "[ . 1 . 2]" 1
607 1 69 GLU HA 1 69 GLU QG 3.590 . 3.590 2.511 2.305 2.712 . 0 0 "[ . 1 . 2]" 1
608 1 68 ILE MG 1 69 GLU QG 3.640 . 3.640 2.814 2.582 3.677 0.037 13 0 "[ . 1 . 2]" 1
609 1 60 GLU HA 1 60 GLU QG 3.890 . 3.890 2.502 2.332 3.338 . 0 0 "[ . 1 . 2]" 1
610 1 60 GLU QG 1 63 VAL MG1 4.940 . 4.940 4.214 2.700 5.281 0.341 18 0 "[ . 1 . 2]" 1
611 1 60 GLU QG 1 63 VAL MG2 4.940 . 4.940 4.247 3.029 5.267 0.327 15 0 "[ . 1 . 2]" 1
612 1 102 LEU HA 1 105 ASP HB3 4.480 . 4.480 3.578 3.057 4.383 . 0 0 "[ . 1 . 2]" 1
613 1 35 LEU MD1 1 105 ASP HB3 3.960 . 3.960 2.851 2.352 3.303 . 0 0 "[ . 1 . 2]" 1
614 1 115 ASP QB 1 116 ILE HA 4.720 . 4.720 4.187 3.901 4.298 . 0 0 "[ . 1 . 2]" 1
615 1 115 ASP QB 1 116 ILE HB 4.790 . 4.790 4.617 4.417 4.810 0.020 17 0 "[ . 1 . 2]" 1
616 1 62 ASP H 1 62 ASP HB3 3.410 . 3.410 2.482 2.361 2.598 . 0 0 "[ . 1 . 2]" 1
617 1 62 ASP HB3 1 63 VAL H 3.980 . 3.980 2.541 2.403 2.672 . 0 0 "[ . 1 . 2]" 1
618 1 59 ARG HA 1 62 ASP HB3 3.790 . 3.790 2.917 2.558 3.136 . 0 0 "[ . 1 . 2]" 1
619 1 46 ASN H 1 46 ASN HB3 3.830 . 3.830 3.469 2.644 3.611 . 0 0 "[ . 1 . 2]" 1
620 1 46 ASN HB3 1 47 GLU H 3.870 . 3.870 3.528 2.862 3.989 0.119 9 0 "[ . 1 . 2]" 1
621 1 46 ASN HB3 1 116 ILE MD 4.470 . 4.470 3.848 2.311 4.466 . 0 0 "[ . 1 . 2]" 1
622 1 85 ASN HB2 1 88 GLU QB 4.420 . 4.420 3.395 2.850 4.327 . 0 0 "[ . 1 . 2]" 1
623 1 84 LEU HA 1 85 ASN HB2 4.530 . 4.530 4.630 4.215 5.223 0.693 9 2 "[ -. +1 . 2]" 1
624 1 111 GLN H 1 114 LYS QE 5.500 . 5.500 5.116 3.966 5.786 0.286 2 0 "[ . 1 . 2]" 1
625 1 111 GLN QG 1 114 LYS QE 4.590 . 4.590 3.897 2.043 4.755 0.165 12 0 "[ . 1 . 2]" 1
626 1 111 GLN QB 1 114 LYS QE 5.240 . 5.240 4.503 2.832 5.359 0.119 7 0 "[ . 1 . 2]" 1
627 1 114 LYS QB 1 114 LYS QE 4.080 . 4.080 2.742 1.984 3.691 . 0 0 "[ . 1 . 2]" 1
628 1 62 ASP HB2 1 63 VAL H 3.980 . 3.980 3.885 3.807 3.955 . 0 0 "[ . 1 . 2]" 1
629 1 80 LYS HA 1 80 LYS QE 4.330 . 4.330 3.536 2.817 3.981 . 0 0 "[ . 1 . 2]" 1
630 1 81 ARG HA 1 81 ARG QD 4.680 . 4.680 3.428 1.840 4.500 . 0 0 "[ . 1 . 2]" 1
631 1 101 ILE MG 1 104 LYS QE 3.610 . 3.610 3.207 2.444 3.718 0.108 16 0 "[ . 1 . 2]" 1
632 1 50 SER HA 1 51 LYS QE 4.450 . 4.450 4.503 4.276 4.723 0.273 13 0 "[ . 1 . 2]" 1
633 1 56 LYS QB 1 56 LYS QE 3.790 . 3.790 2.972 1.865 3.860 0.070 11 0 "[ . 1 . 2]" 1
634 1 51 LYS QE 1 52 GLU H 4.670 . 4.670 3.483 3.137 4.140 . 0 0 "[ . 1 . 2]" 1
635 1 104 LYS H 1 104 LYS QE 4.680 . 4.680 4.022 3.562 4.568 . 0 0 "[ . 1 . 2]" 1
636 1 8 LYS HA 1 8 LYS QE 3.950 . 3.950 3.706 2.080 4.252 0.302 10 0 "[ . 1 . 2]" 1
637 1 50 SER QB 1 51 LYS QE 5.190 . 5.190 5.173 4.747 5.432 0.242 13 0 "[ . 1 . 2]" 1
638 1 51 LYS QE 1 51 LYS QG 3.070 . 3.070 2.199 2.027 2.416 . 0 0 "[ . 1 . 2]" 1
639 1 101 ILE HA 1 104 LYS QE 4.570 . 4.570 2.527 1.902 3.327 . 0 0 "[ . 1 . 2]" 1
640 1 49 LYS H 1 49 LYS QE 5.460 . 5.460 4.191 3.123 5.304 . 0 0 "[ . 1 . 2]" 1
641 1 46 ASN HA 1 49 LYS QE 4.470 . 4.470 3.378 2.703 4.248 . 0 0 "[ . 1 . 2]" 1
642 1 49 LYS HA 1 49 LYS QE 4.670 . 4.670 3.792 2.907 4.213 . 0 0 "[ . 1 . 2]" 1
643 1 49 LYS QE 1 116 ILE QG 3.490 . 3.490 2.892 1.996 3.561 0.071 6 0 "[ . 1 . 2]" 1
644 1 49 LYS QE 1 49 LYS QG 3.440 . 3.440 2.375 2.110 2.792 . 0 0 "[ . 1 . 2]" 1
645 1 49 LYS QE 1 116 ILE MG 3.620 . 3.620 3.300 2.725 3.693 0.073 1 0 "[ . 1 . 2]" 1
646 1 13 ARG HA 1 13 ARG QD 4.530 . 4.530 3.155 1.910 4.479 . 0 0 "[ . 1 . 2]" 1
647 1 13 ARG QB 1 13 ARG QD 3.470 . 3.470 2.378 2.095 2.812 . 0 0 "[ . 1 . 2]" 1
648 1 26 HIS QB 1 27 ALA HA 4.490 . 4.490 4.037 3.793 4.295 . 0 0 "[ . 1 . 2]" 1
649 1 33 HIS QB 1 34 GLN QG 4.840 . 4.840 4.170 3.535 4.524 . 0 0 "[ . 1 . 2]" 1
650 1 26 HIS QB 1 29 GLU QB 4.680 . 4.680 4.335 3.544 4.651 . 0 0 "[ . 1 . 2]" 1
651 1 59 ARG H 1 59 ARG QD 4.660 . 4.660 2.810 2.336 3.918 . 0 0 "[ . 1 . 2]" 1
652 1 59 ARG HA 1 59 ARG QD 4.340 . 4.340 2.146 1.720 2.478 0.080 9 0 "[ . 1 . 2]" 1
653 1 56 LYS HA 1 59 ARG QD 4.490 . 4.490 4.250 3.589 4.820 0.330 9 0 "[ . 1 . 2]" 1
654 1 77 ARG QB 1 77 ARG QD 3.460 . 3.460 2.301 2.112 2.839 . 0 0 "[ . 1 . 2]" 1
655 1 89 ARG H 1 90 PHE QB 4.620 . 4.620 4.416 4.328 4.522 . 0 0 "[ . 1 . 2]" 1
656 1 87 LEU QB 1 90 PHE QB 4.780 . 4.780 4.533 4.357 4.805 0.025 16 0 "[ . 1 . 2]" 1
657 1 86 ILE MG 1 90 PHE QB 5.000 . 5.000 3.625 3.331 3.799 . 0 0 "[ . 1 . 2]" 1
658 1 87 LEU QD 1 90 PHE QB 5.290 . 5.290 3.163 2.643 3.883 . 0 0 "[ . 1 . 2]" 1
659 1 27 ALA MB 1 28 ILE HA 4.830 . 4.830 3.799 3.774 3.838 . 0 0 "[ . 1 . 2]" 1
660 1 28 ILE HA 1 28 ILE MG 3.390 . 3.390 2.326 2.313 2.346 . 0 0 "[ . 1 . 2]" 1
661 1 113 VAL HA 1 116 ILE HB 4.130 . 4.130 3.198 2.638 3.557 . 0 0 "[ . 1 . 2]" 1
662 1 110 GLU HA 1 113 VAL H 4.680 . 4.680 3.571 3.210 3.862 . 0 0 "[ . 1 . 2]" 1
663 1 109 THR HB 1 110 GLU HA 4.640 . 4.640 4.176 3.939 4.409 . 0 0 "[ . 1 . 2]" 1
664 1 110 GLU HA 1 114 LYS QB 5.500 . 5.500 4.920 4.403 5.555 0.055 15 0 "[ . 1 . 2]" 1
665 1 61 LEU HG 1 110 GLU HA 4.930 . 4.930 4.792 3.088 5.115 0.185 2 0 "[ . 1 . 2]" 1
666 1 110 GLU HA 1 114 LYS QD 4.950 . 4.950 4.437 3.686 4.996 0.046 15 0 "[ . 1 . 2]" 1
667 1 6 LYS HA 1 7 PRO HD3 3.050 . 3.050 2.367 1.984 2.799 . 0 0 "[ . 1 . 2]" 1
668 1 57 ILE HA 1 60 GLU QB 4.170 . 4.170 3.356 3.039 4.282 0.112 14 0 "[ . 1 . 2]" 1
669 1 101 ILE HA 1 101 ILE HG12 3.660 . 3.660 2.686 2.478 3.608 . 0 0 "[ . 1 . 2]" 1
670 1 101 ILE HA 1 101 ILE HG13 3.660 . 3.660 2.891 2.419 3.029 . 0 0 "[ . 1 . 2]" 1
671 1 101 ILE HA 1 101 ILE MG 3.110 . 3.110 2.486 2.390 2.772 . 0 0 "[ . 1 . 2]" 1
672 1 45 LEU MD1 1 54 GLN HA 4.220 . 4.220 2.702 1.871 3.829 . 0 0 "[ . 1 . 2]" 1
673 1 45 LEU MD2 1 54 GLN HA 4.220 . 4.220 2.466 2.049 3.388 . 0 0 "[ . 1 . 2]" 1
674 1 49 LYS HA 1 116 ILE QG 4.410 . 4.410 3.977 3.803 4.256 . 0 0 "[ . 1 . 2]" 1
675 1 6 LYS HA 1 7 PRO HD2 3.050 . 3.050 2.377 1.933 3.104 0.054 14 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 91 ASN H 5.120 . 5.120 3.383 3.209 3.788 . 0 0 "[ . 1 . 2]" 1
677 1 88 GLU HA 1 90 PHE H 4.650 . 4.650 4.438 4.196 4.658 0.008 2 0 "[ . 1 . 2]" 1
678 1 75 LEU QD 1 76 GLU HA 4.440 . 4.440 4.054 2.537 4.826 0.386 2 0 "[ . 1 . 2]" 1
679 1 87 LEU QD 1 88 GLU HA 4.460 . 4.460 3.503 2.751 4.293 . 0 0 "[ . 1 . 2]" 1
680 1 63 VAL HA 1 67 MET H 5.010 . 5.010 4.115 3.873 4.311 . 0 0 "[ . 1 . 2]" 1
681 1 68 ILE HA 1 71 ALA H 4.830 . 4.830 3.619 3.332 3.824 . 0 0 "[ . 1 . 2]" 1
682 1 68 ILE HA 1 69 GLU HA 5.000 . 5.000 4.765 4.689 4.833 . 0 0 "[ . 1 . 2]" 1
683 1 67 MET QG 1 68 ILE HA 4.480 . 4.480 3.182 3.107 3.268 . 0 0 "[ . 1 . 2]" 1
684 1 68 ILE HA 1 68 ILE QG 3.770 . 3.770 2.366 2.312 2.414 . 0 0 "[ . 1 . 2]" 1
685 1 76 GLU HA 1 79 LEU H 4.500 . 4.500 3.808 3.458 3.953 . 0 0 "[ . 1 . 2]" 1
686 1 76 GLU HA 1 79 LEU QB 4.190 . 4.190 4.190 3.907 4.345 0.155 4 0 "[ . 1 . 2]" 1
687 1 76 GLU HA 1 79 LEU HG 4.350 . 4.350 2.096 1.819 2.276 . 0 0 "[ . 1 . 2]" 1
688 1 76 GLU HA 1 79 LEU QD 3.730 . 3.730 2.111 1.946 2.204 . 0 0 "[ . 1 . 2]" 1
689 1 94 GLU QB 1 97 THR HB 4.940 . 4.940 4.501 4.339 4.673 . 0 0 "[ . 1 . 2]" 1
690 1 97 THR HB 1 98 LEU QB 5.290 . 5.290 4.552 4.448 4.681 . 0 0 "[ . 1 . 2]" 1
691 1 61 LEU HG 1 109 THR HB 4.880 . 4.880 4.714 3.518 4.980 0.100 16 0 "[ . 1 . 2]" 1
692 1 97 THR HB 1 98 LEU HG 4.130 . 4.130 3.261 3.109 3.434 . 0 0 "[ . 1 . 2]" 1
693 1 61 LEU MD2 1 109 THR HB 4.960 . 4.960 3.138 2.286 4.925 . 0 0 "[ . 1 . 2]" 1
694 1 35 LEU MD2 1 109 THR HB 4.710 . 4.710 3.648 3.172 4.203 . 0 0 "[ . 1 . 2]" 1
695 1 94 GLU HA 1 97 THR HB 4.500 . 4.500 2.604 2.319 2.799 . 0 0 "[ . 1 . 2]" 1
696 1 58 ILE HA 1 59 ARG QD 5.450 . 5.450 5.045 4.520 5.979 0.529 9 1 "[ . +1 . 2]" 1
697 1 86 ILE HA 1 90 PHE QB 5.500 . 5.500 4.795 4.393 5.093 . 0 0 "[ . 1 . 2]" 1
698 1 86 ILE HA 1 86 ILE HG12 4.170 . 4.170 2.877 2.494 3.649 . 0 0 "[ . 1 . 2]" 1
699 1 64 VAL HA 1 67 MET QG 3.810 . 3.810 2.027 1.906 2.153 . 0 0 "[ . 1 . 2]" 1
700 1 106 LEU HA 1 110 GLU H 5.500 . 5.500 4.228 3.840 4.652 . 0 0 "[ . 1 . 2]" 1
701 1 39 GLN HA 1 39 GLN HG2 4.090 . 4.090 2.866 2.358 3.739 . 0 0 "[ . 1 . 2]" 1
702 1 111 GLN HA 1 111 GLN QG 3.490 . 3.490 2.513 2.372 2.917 . 0 0 "[ . 1 . 2]" 1
703 1 39 GLN HA 1 39 GLN HG3 4.090 . 4.090 3.018 2.352 3.761 . 0 0 "[ . 1 . 2]" 1
704 1 111 GLN HA 1 114 LYS QB 3.900 . 3.900 3.427 2.572 4.075 0.175 2 0 "[ . 1 . 2]" 1
705 1 111 GLN HA 1 114 LYS QD 3.300 . 3.300 2.362 1.782 3.046 0.018 1 0 "[ . 1 . 2]" 1
706 1 106 LEU HA 1 106 LEU HG 3.810 . 3.810 3.239 2.515 3.759 . 0 0 "[ . 1 . 2]" 1
707 1 35 LEU MD2 1 106 LEU HA 3.460 . 3.460 2.429 1.892 2.992 . 0 0 "[ . 1 . 2]" 1
708 1 106 LEU HA 1 106 LEU QD 3.600 . 3.600 2.043 1.896 2.479 . 0 0 "[ . 1 . 2]" 1
709 1 45 LEU HA 1 50 SER QB 4.300 . 4.300 4.274 3.907 4.501 0.201 9 0 "[ . 1 . 2]" 1
710 1 50 SER QB 1 53 LEU HA 4.590 . 4.590 4.315 3.936 4.536 . 0 0 "[ . 1 . 2]" 1
711 1 50 SER QB 1 53 LEU QB 4.620 . 4.620 1.949 1.793 2.108 0.007 12 0 "[ . 1 . 2]" 1
712 1 65 CYS HA 1 68 ILE HB 4.240 . 4.240 2.714 2.478 2.881 . 0 0 "[ . 1 . 2]" 1
713 1 54 GLN HA 1 55 GLU HA 5.030 . 5.030 4.793 4.720 4.875 . 0 0 "[ . 1 . 2]" 1
714 1 96 GLN HA 1 100 LYS QE 5.360 . 5.360 4.760 3.804 5.624 0.264 20 0 "[ . 1 . 2]" 1
715 1 32 GLU HA 1 32 GLU QG 3.870 . 3.870 2.547 2.302 3.356 . 0 0 "[ . 1 . 2]" 1
716 1 77 ARG HA 1 77 ARG QG 3.400 . 3.400 2.527 2.368 2.945 . 0 0 "[ . 1 . 2]" 1
717 1 77 ARG HA 1 77 ARG QD 4.530 . 4.530 3.628 1.971 4.267 . 0 0 "[ . 1 . 2]" 1
718 1 100 LYS HA 1 100 LYS QG 3.120 . 3.120 2.557 2.271 3.330 0.210 17 0 "[ . 1 . 2]" 1
719 1 69 GLU HB2 1 70 GLY QA 4.750 . 4.750 4.106 3.945 4.791 0.041 13 0 "[ . 1 . 2]" 1
720 1 99 SER HA 1 102 LEU HG 4.890 . 4.890 3.948 3.068 4.947 0.057 17 0 "[ . 1 . 2]" 1
721 1 51 LYS HA 1 118 THR MG 3.690 . 3.690 2.211 2.024 2.563 . 0 0 "[ . 1 . 2]" 1
722 1 56 LYS HA 1 57 ILE HA 4.870 . 4.870 4.769 4.740 4.797 . 0 0 "[ . 1 . 2]" 1
723 1 56 LYS HA 1 56 LYS QE 4.370 . 4.370 3.748 1.861 4.462 0.092 20 0 "[ . 1 . 2]" 1
724 1 112 LYS HA 1 115 ASP QB 3.530 . 3.530 2.334 2.071 2.774 . 0 0 "[ . 1 . 2]" 1
725 1 112 LYS HA 1 112 LYS QG 3.200 . 3.200 2.525 2.097 3.150 . 0 0 "[ . 1 . 2]" 1
726 1 35 LEU HA 1 35 LEU MD2 3.090 . 3.090 2.155 2.083 2.229 . 0 0 "[ . 1 . 2]" 1
727 1 27 ALA HA 1 30 LYS QG 5.310 . 5.310 4.511 2.022 5.031 . 0 0 "[ . 1 . 2]" 1
728 1 30 LYS HA 1 33 HIS QB 3.850 . 3.850 2.960 2.470 3.390 . 0 0 "[ . 1 . 2]" 1
729 1 97 THR MG 1 98 LEU HA 4.650 . 4.650 3.318 3.096 3.470 . 0 0 "[ . 1 . 2]" 1
730 1 24 ALA HA 1 26 HIS H 4.990 . 4.990 4.311 4.069 4.652 . 0 0 "[ . 1 . 2]" 1
731 1 27 ALA HA 1 30 LYS H 5.160 . 5.160 3.485 3.312 3.685 . 0 0 "[ . 1 . 2]" 1
732 1 27 ALA HA 1 30 LYS QB 3.500 . 3.500 2.818 2.480 3.657 0.157 17 0 "[ . 1 . 2]" 1
733 1 79 LEU HA 1 79 LEU HG 4.140 . 4.140 3.763 3.693 3.813 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU HA 1 39 GLN H 4.630 . 4.630 3.521 3.298 3.700 . 0 0 "[ . 1 . 2]" 1
735 1 98 LEU HA 1 98 LEU QD 3.150 . 3.150 2.058 1.971 2.099 . 0 0 "[ . 1 . 2]" 1
736 1 103 LEU HA 1 103 LEU QD 3.020 . 3.020 1.972 1.870 2.061 . 0 0 "[ . 1 . 2]" 1
737 1 74 ALA HA 1 77 ARG QB 3.730 . 3.730 3.218 2.761 3.577 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU HA 1 36 LEU HG 4.130 . 4.130 3.380 3.027 3.743 . 0 0 "[ . 1 . 2]" 1
739 1 51 LYS H 1 118 THR HB 4.700 . 4.700 3.236 2.574 3.719 . 0 0 "[ . 1 . 2]" 1
740 1 50 SER HA 1 118 THR HB 5.140 . 5.140 4.678 3.907 5.260 0.120 12 0 "[ . 1 . 2]" 1
741 1 54 GLN QB 1 118 THR HB 4.750 . 4.750 4.041 3.576 4.404 . 0 0 "[ . 1 . 2]" 1
742 1 108 GLU HA 1 111 GLN QB 3.350 . 3.350 2.803 2.393 3.120 . 0 0 "[ . 1 . 2]" 1
743 1 23 GLN HA 1 23 GLN QG 3.620 . 3.620 2.726 2.376 3.055 . 0 0 "[ . 1 . 2]" 1
744 1 59 ARG HA 1 62 ASP H 4.550 . 4.550 3.577 3.248 3.752 . 0 0 "[ . 1 . 2]" 1
745 1 59 ARG HA 1 62 ASP HB2 3.790 . 3.790 3.723 3.362 3.865 0.075 13 0 "[ . 1 . 2]" 1
746 1 87 LEU HA 1 89 ARG H 4.870 . 4.870 4.501 4.344 4.755 . 0 0 "[ . 1 . 2]" 1
747 1 87 LEU HA 1 91 ASN H 5.090 . 5.090 4.082 3.852 4.312 . 0 0 "[ . 1 . 2]" 1
748 1 80 LYS HA 1 80 LYS QD 3.270 . 3.270 1.920 1.783 2.230 0.017 1 0 "[ . 1 . 2]" 1
749 1 87 LEU HA 1 88 GLU HA 5.030 . 5.030 4.783 4.745 4.861 . 0 0 "[ . 1 . 2]" 1
750 1 87 LEU HA 1 90 PHE QB 3.340 . 3.340 2.718 2.561 2.943 . 0 0 "[ . 1 . 2]" 1
751 1 87 LEU HA 1 87 LEU QD 3.430 . 3.430 2.257 1.896 2.980 . 0 0 "[ . 1 . 2]" 1
752 1 66 ALA HA 1 69 GLU H 4.370 . 4.370 3.492 3.339 3.644 . 0 0 "[ . 1 . 2]" 1
753 1 65 CYS HA 1 66 ALA HA 5.450 . 5.450 4.793 4.753 4.824 . 0 0 "[ . 1 . 2]" 1
754 1 94 GLU HA 1 95 ALA HA 5.500 . 5.500 4.794 4.767 4.827 . 0 0 "[ . 1 . 2]" 1
755 1 95 ALA HA 1 96 GLN HA 5.500 . 5.500 4.797 4.713 4.861 . 0 0 "[ . 1 . 2]" 1
756 1 66 ALA HA 1 69 GLU QG 4.440 . 4.440 3.624 3.070 4.207 . 0 0 "[ . 1 . 2]" 1
757 1 66 ALA HA 1 69 GLU HB2 3.440 . 3.440 2.758 2.447 3.097 . 0 0 "[ . 1 . 2]" 1
758 1 95 ALA HA 1 98 LEU QD 3.450 . 3.450 2.995 2.624 3.330 . 0 0 "[ . 1 . 2]" 1
759 1 53 LEU HA 1 55 GLU H 4.970 . 4.970 4.439 4.333 4.581 . 0 0 "[ . 1 . 2]" 1
760 1 53 LEU HA 1 56 LYS QG 3.680 . 3.680 3.117 2.737 3.396 . 0 0 "[ . 1 . 2]" 1
761 1 53 LEU HA 1 57 ILE MD 4.780 . 4.780 4.345 3.356 4.685 . 0 0 "[ . 1 . 2]" 1
762 1 102 LEU HA 1 106 LEU H 4.840 . 4.840 4.221 4.008 4.459 . 0 0 "[ . 1 . 2]" 1
763 1 47 GLU HA 1 47 GLU QG 3.410 . 3.410 2.755 2.376 3.331 . 0 0 "[ . 1 . 2]" 1
764 1 102 LEU HA 1 102 LEU QD 3.360 . 3.360 2.029 1.925 2.140 . 0 0 "[ . 1 . 2]" 1
765 1 34 GLN HA 1 37 TYR H 4.450 . 4.450 3.274 3.020 3.572 . 0 0 "[ . 1 . 2]" 1
766 1 8 LYS HA 1 8 LYS QG 3.530 . 3.530 2.649 2.303 3.346 . 0 0 "[ . 1 . 2]" 1
767 1 46 ASN HA 1 116 ILE MD 3.450 . 3.450 3.109 2.900 3.338 . 0 0 "[ . 1 . 2]" 1
768 1 34 GLN HA 1 37 TYR QB 3.600 . 3.600 2.242 2.063 2.492 . 0 0 "[ . 1 . 2]" 1
769 1 118 THR HB 1 119 GLN HA 4.960 . 4.960 4.373 3.897 4.792 . 0 0 "[ . 1 . 2]" 1
770 1 119 GLN HA 1 119 GLN QG 3.380 . 3.380 2.595 2.297 2.968 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS QB 1 119 GLN HA 4.280 . 4.280 4.060 3.103 4.547 0.267 9 0 "[ . 1 . 2]" 1
772 1 32 GLU HA 1 33 HIS HA 5.110 . 5.110 4.749 4.658 4.810 . 0 0 "[ . 1 . 2]" 1
773 1 33 HIS HA 1 36 LEU HG 4.440 . 4.440 3.207 2.224 4.357 . 0 0 "[ . 1 . 2]" 1
774 1 94 GLU HA 1 97 THR HA 5.040 . 5.040 5.119 4.928 5.202 0.162 8 0 "[ . 1 . 2]" 1
775 1 97 THR HA 1 100 LYS QD 4.920 . 4.920 3.847 2.879 5.172 0.252 8 0 "[ . 1 . 2]" 1
776 1 97 THR HA 1 97 THR MG 3.690 . 3.690 2.417 2.366 2.467 . 0 0 "[ . 1 . 2]" 1
777 1 97 THR HA 1 101 ILE MD 4.570 . 4.570 4.347 3.323 4.674 0.104 8 0 "[ . 1 . 2]" 1
778 1 90 PHE QB 1 91 ASN HA 4.700 . 4.700 4.236 4.157 4.306 . 0 0 "[ . 1 . 2]" 1
779 1 91 ASN HA 1 94 GLU QB 3.590 . 3.590 2.793 2.460 3.083 . 0 0 "[ . 1 . 2]" 1
780 1 62 ASP HA 1 65 CYS H 4.300 . 4.300 3.530 3.325 3.701 . 0 0 "[ . 1 . 2]" 1
781 1 44 GLU HA 1 45 LEU HA 5.030 . 5.030 4.836 4.748 4.896 . 0 0 "[ . 1 . 2]" 1
782 1 45 LEU HA 1 53 LEU HG 4.320 . 4.320 4.000 3.762 4.310 . 0 0 "[ . 1 . 2]" 1
783 1 45 LEU HA 1 45 LEU MD1 4.260 . 4.260 2.321 2.075 3.700 . 0 0 "[ . 1 . 2]" 1
784 1 45 LEU HA 1 45 LEU MD2 4.260 . 4.260 3.683 2.050 3.921 . 0 0 "[ . 1 . 2]" 1
785 1 45 LEU HA 1 57 ILE MD 4.790 . 4.790 4.059 3.720 4.841 0.051 9 0 "[ . 1 . 2]" 1
786 1 84 LEU HA 1 84 LEU HG 4.200 . 4.200 3.302 2.426 4.288 0.088 15 0 "[ . 1 . 2]" 1
787 1 84 LEU HA 1 84 LEU QD 3.480 . 3.480 2.575 1.869 3.421 . 0 0 "[ . 1 . 2]" 1
788 1 26 HIS HA 1 30 LYS H 4.120 . 4.120 4.169 4.040 4.334 0.214 1 0 "[ . 1 . 2]" 1
789 1 26 HIS HA 1 29 GLU QB 3.590 . 3.590 2.592 2.096 2.853 . 0 0 "[ . 1 . 2]" 1
790 1 35 LEU MD1 1 105 ASP HA 5.090 . 5.090 4.845 4.443 5.093 0.003 6 0 "[ . 1 . 2]" 1
791 1 35 LEU MD2 1 105 ASP HA 5.440 . 5.440 4.505 3.881 4.913 . 0 0 "[ . 1 . 2]" 1
792 1 114 LYS QB 1 115 ASP HA 4.810 . 4.810 4.354 3.825 4.695 . 0 0 "[ . 1 . 2]" 1
793 1 115 ASP HA 1 116 ILE MD 5.500 . 5.500 4.717 4.527 5.070 . 0 0 "[ . 1 . 2]" 1
794 1 40 HIS HA 1 40 HIS HE1 4.800 . 4.800 4.967 4.775 5.224 0.424 9 0 "[ . 1 . 2]" 1
795 1 6 LYS HA 1 6 LYS QD 4.380 . 4.380 3.693 1.991 4.515 0.135 4 0 "[ . 1 . 2]" 1
796 1 54 GLN H 1 57 ILE MD 4.950 . 4.950 4.387 4.216 4.606 . 0 0 "[ . 1 . 2]" 1
797 1 57 ILE MD 1 58 ILE H 5.390 . 5.390 4.583 4.372 4.711 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLN HA 1 57 ILE MD 4.400 . 4.400 3.989 3.548 4.547 0.147 9 0 "[ . 1 . 2]" 1
799 1 54 GLN HA 1 57 ILE MD 3.910 . 3.910 2.960 2.619 3.948 0.038 9 0 "[ . 1 . 2]" 1
800 1 41 GLN QB 1 57 ILE MD 3.190 . 3.190 2.343 2.093 2.945 . 0 0 "[ . 1 . 2]" 1
801 1 53 LEU MD1 1 57 ILE MD 3.800 . 3.800 2.706 2.110 3.078 . 0 0 "[ . 1 . 2]" 1
802 1 53 LEU MD2 1 57 ILE MD 3.800 . 3.800 2.815 2.595 3.226 . 0 0 "[ . 1 . 2]" 1
803 1 42 LEU H 1 42 LEU MD1 5.050 . 5.050 4.158 4.042 4.305 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU MD1 1 105 ASP HB2 3.970 . 3.970 3.836 3.327 4.105 0.135 13 0 "[ . 1 . 2]" 1
805 1 35 LEU QB 1 35 LEU MD1 3.250 . 3.250 2.179 2.150 2.205 . 0 0 "[ . 1 . 2]" 1
806 1 61 LEU H 1 61 LEU MD1 4.680 . 4.680 4.060 3.782 4.269 . 0 0 "[ . 1 . 2]" 1
807 1 61 LEU MD1 1 110 GLU H 4.610 . 4.610 3.663 2.236 4.384 . 0 0 "[ . 1 . 2]" 1
808 1 61 LEU MD1 1 62 ASP H 5.100 . 5.100 4.451 3.447 4.692 . 0 0 "[ . 1 . 2]" 1
809 1 61 LEU MD1 1 109 THR HB 4.960 . 4.960 3.103 2.369 4.548 . 0 0 "[ . 1 . 2]" 1
810 1 38 LEU H 1 38 LEU HG 4.510 . 4.510 3.316 2.157 4.438 . 0 0 "[ . 1 . 2]" 1
811 1 61 LEU MD2 1 110 GLU H 4.610 . 4.610 2.833 2.312 3.997 . 0 0 "[ . 1 . 2]" 1
812 1 61 LEU MD2 1 62 ASP H 5.100 . 5.100 4.051 3.256 4.593 . 0 0 "[ . 1 . 2]" 1
813 1 64 VAL MG2 1 65 CYS H 4.260 . 4.260 3.885 3.806 3.988 . 0 0 "[ . 1 . 2]" 1
814 1 53 LEU H 1 53 LEU MD1 5.020 . 5.020 4.081 3.969 4.211 . 0 0 "[ . 1 . 2]" 1
815 1 53 LEU HA 1 53 LEU MD1 4.670 . 4.670 2.083 1.999 2.146 . 0 0 "[ . 1 . 2]" 1
816 1 61 LEU HG 1 65 CYS H 5.500 . 5.500 4.865 4.465 5.963 0.463 18 0 "[ . 1 . 2]" 1
817 1 59 ARG H 1 59 ARG HG2 4.470 . 4.470 4.014 2.276 4.557 0.087 9 0 "[ . 1 . 2]" 1
818 1 41 GLN QG 1 42 LEU H 4.830 . 4.830 4.070 3.777 4.477 . 0 0 "[ . 1 . 2]" 1
819 1 38 LEU HA 1 41 GLN QG 3.960 . 3.960 2.733 2.123 4.137 0.177 16 0 "[ . 1 . 2]" 1
820 1 41 GLN QG 1 57 ILE QG 4.370 . 4.370 3.709 3.119 4.414 0.044 10 0 "[ . 1 . 2]" 1
821 1 38 LEU QD 1 41 GLN QG 4.480 . 4.480 3.129 2.284 4.646 0.166 18 0 "[ . 1 . 2]" 1
822 1 41 GLN QG 1 57 ILE MD 5.080 . 5.080 3.859 2.407 4.397 . 0 0 "[ . 1 . 2]" 1
823 1 93 GLU HA 1 93 GLU QG 3.340 . 3.340 2.554 2.268 3.351 0.011 3 0 "[ . 1 . 2]" 1
824 1 22 GLU QG 1 23 GLN H 4.440 . 4.440 3.965 3.453 4.514 0.074 10 0 "[ . 1 . 2]" 1
825 1 98 LEU H 1 98 LEU HG 4.530 . 4.530 2.301 2.228 2.478 . 0 0 "[ . 1 . 2]" 1
826 1 95 ALA HA 1 98 LEU HG 4.410 . 4.410 3.567 3.309 3.992 . 0 0 "[ . 1 . 2]" 1
827 1 51 LYS HA 1 118 THR HA 4.620 . 4.620 4.573 3.985 4.896 0.276 6 0 "[ . 1 . 2]" 1
828 1 117 GLN QB 1 118 THR HA 4.430 . 4.430 4.443 4.366 4.601 0.171 7 0 "[ . 1 . 2]" 1
829 1 12 PHE HA 1 12 PHE HD1 3.480 . 3.480 3.160 2.388 3.989 0.509 8 1 "[ . + 1 . 2]" 1
830 1 12 PHE HA 1 12 PHE QE 5.330 . 5.330 4.589 4.390 4.745 . 0 0 "[ . 1 . 2]" 1
831 1 16 PHE HA 1 16 PHE QD 4.230 . 4.230 2.656 2.206 3.061 . 0 0 "[ . 1 . 2]" 1
832 1 26 HIS HA 1 26 HIS HD2 4.240 . 4.240 2.973 2.340 4.695 0.455 18 0 "[ . 1 . 2]" 1
833 1 33 HIS HA 1 33 HIS HD2 3.560 . 3.560 2.914 2.358 3.642 0.082 17 0 "[ . 1 . 2]" 1
834 1 37 TYR HA 1 37 TYR QD 3.260 . 3.260 2.727 2.538 3.011 . 0 0 "[ . 1 . 2]" 1
835 1 40 HIS HA 1 40 HIS HD2 4.080 . 4.080 3.825 3.335 4.181 0.101 12 0 "[ . 1 . 2]" 1
836 1 90 PHE HA 1 90 PHE QD 3.400 . 3.400 2.626 2.483 2.856 . 0 0 "[ . 1 . 2]" 1
837 1 92 TYR HA 1 92 TYR QD 3.190 . 3.190 2.396 2.074 2.877 . 0 0 "[ . 1 . 2]" 1
838 1 92 TYR HA 1 92 TYR QE 4.380 . 4.380 4.414 4.343 4.509 0.129 11 0 "[ . 1 . 2]" 1
839 1 26 HIS QB 1 26 HIS HD2 3.690 . 3.690 2.939 2.603 3.255 . 0 0 "[ . 1 . 2]" 1
840 1 40 HIS QB 1 40 HIS HD2 3.630 . 3.630 2.719 2.651 2.826 . 0 0 "[ . 1 . 2]" 1
841 1 21 ILE HA 1 92 TYR QD 5.260 . 5.260 5.157 4.590 5.390 0.130 11 0 "[ . 1 . 2]" 1
842 1 21 ILE HA 1 92 TYR QE 4.880 . 4.880 4.848 4.285 5.083 0.203 7 0 "[ . 1 . 2]" 1
843 1 37 TYR QE 1 38 LEU HA 5.500 . 5.500 4.410 3.946 4.668 . 0 0 "[ . 1 . 2]" 1
844 1 88 GLU HA 1 92 TYR QE 4.580 . 4.580 3.981 3.443 4.391 . 0 0 "[ . 1 . 2]" 1
845 1 88 GLU HA 1 92 TYR QD 4.070 . 4.070 3.889 3.112 4.295 0.225 13 0 "[ . 1 . 2]" 1
846 1 80 LYS QE 1 92 TYR QD 4.000 . 4.000 3.432 2.577 3.878 . 0 0 "[ . 1 . 2]" 1
847 1 80 LYS QE 1 92 TYR QE 4.820 . 4.820 4.830 4.388 4.983 0.163 1 0 "[ . 1 . 2]" 1
848 1 80 LYS QG 1 92 TYR QD 4.600 . 4.600 4.437 3.838 4.718 0.118 7 0 "[ . 1 . 2]" 1
849 1 92 TYR QD 1 95 ALA MB 4.850 . 4.850 4.337 3.661 4.764 . 0 0 "[ . 1 . 2]" 1
850 1 21 ILE HB 1 92 TYR QE 4.730 . 4.730 4.519 4.147 4.790 0.060 13 0 "[ . 1 . 2]" 1
851 1 21 ILE HG12 1 92 TYR QE 4.820 . 4.820 2.325 2.196 2.509 . 0 0 "[ . 1 . 2]" 1
852 1 21 ILE HG13 1 92 TYR QE 4.220 . 4.220 2.984 2.514 3.510 . 0 0 "[ . 1 . 2]" 1
853 1 35 LEU MD1 1 39 GLN HE22 4.280 . 4.280 3.075 2.372 4.311 0.031 16 0 "[ . 1 . 2]" 1
854 1 42 LEU MD2 1 46 ASN HD22 5.460 . 5.460 3.587 1.900 5.472 0.012 1 0 "[ . 1 . 2]" 1
855 1 35 LEU MD2 1 39 GLN HE22 4.300 . 4.300 3.554 2.501 4.322 0.022 3 0 "[ . 1 . 2]" 1
856 1 79 LEU QD 1 92 TYR QD 3.530 . 3.530 2.510 2.075 2.980 . 0 0 "[ . 1 . 2]" 1
857 1 79 LEU QD 1 92 TYR QE 3.500 . 3.500 2.712 2.023 3.146 . 0 0 "[ . 1 . 2]" 1
858 1 21 ILE MD 1 92 TYR QD 4.060 . 4.060 1.902 1.769 2.285 0.031 12 0 "[ . 1 . 2]" 1
859 1 21 ILE MD 1 92 TYR QE 4.090 . 4.090 2.728 2.330 3.069 . 0 0 "[ . 1 . 2]" 1
860 1 20 LEU QD 1 92 TYR QE 3.770 . 3.770 3.546 1.896 3.912 0.142 2 0 "[ . 1 . 2]" 1
861 1 80 LYS QG 1 92 TYR QE 4.740 . 4.740 4.833 4.526 5.004 0.264 16 0 "[ . 1 . 2]" 1
862 1 20 LEU QB 1 92 TYR QE 4.090 . 4.090 3.714 3.001 4.101 0.011 12 0 "[ . 1 . 2]" 1
863 1 88 GLU QB 1 92 TYR QE 4.130 . 4.130 3.317 2.933 3.645 . 0 0 "[ . 1 . 2]" 1
864 1 80 LYS QD 1 92 TYR QE 4.600 . 4.600 3.946 3.269 4.626 0.026 16 0 "[ . 1 . 2]" 1
865 1 80 LYS QD 1 92 TYR QD 4.550 . 4.550 3.276 1.848 3.948 . 0 0 "[ . 1 . 2]" 1
866 1 21 ILE MG 1 92 TYR QD 4.400 . 4.400 4.492 3.995 4.657 0.257 17 0 "[ . 1 . 2]" 1
867 1 37 TYR QE 1 38 LEU QB 5.500 . 5.500 5.432 4.865 5.659 0.159 13 0 "[ . 1 . 2]" 1
868 1 37 TYR QE 1 41 GLN QG 3.760 . 3.760 3.372 2.768 3.975 0.215 15 0 "[ . 1 . 2]" 1
869 1 87 LEU HA 1 90 PHE QD 3.910 . 3.910 3.940 3.693 4.033 0.123 19 0 "[ . 1 . 2]" 1
870 1 90 PHE QE 1 91 ASN HA 5.500 . 5.500 4.706 4.438 5.025 . 0 0 "[ . 1 . 2]" 1
871 1 90 PHE QD 1 91 ASN HA 4.220 . 4.220 3.683 3.277 3.998 . 0 0 "[ . 1 . 2]" 1
872 1 87 LEU QD 1 90 PHE QD 3.770 . 3.770 3.022 2.537 3.808 0.038 11 0 "[ . 1 . 2]" 1
873 1 3 GLN HA 1 3 GLN QE 5.270 . 5.270 4.085 2.487 4.939 . 0 0 "[ . 1 . 2]" 1
874 1 3 GLN QB 1 3 GLN QE 3.620 . 3.620 2.917 1.840 3.675 0.055 15 0 "[ . 1 . 2]" 1
875 1 6 LYS QB 1 7 PRO HA 4.640 . 4.640 4.619 4.448 4.771 0.131 15 0 "[ . 1 . 2]" 1
876 1 6 LYS QB 1 7 PRO QG 3.780 . 3.780 3.663 3.003 3.975 0.195 7 0 "[ . 1 . 2]" 1
877 1 6 LYS QB 1 7 PRO QD 3.720 . 3.720 2.214 1.861 2.748 . 0 0 "[ . 1 . 2]" 1
878 1 6 LYS QG 1 7 PRO QD 4.620 . 4.620 3.340 2.584 3.925 . 0 0 "[ . 1 . 2]" 1
879 1 14 ASN HA 1 14 ASN QD 4.180 . 4.180 3.548 1.961 4.113 . 0 0 "[ . 1 . 2]" 1
880 1 21 ILE HG13 1 91 ASN QB 4.160 . 4.160 2.565 1.964 3.506 . 0 0 "[ . 1 . 2]" 1
881 1 21 ILE MD 1 91 ASN QB 4.560 . 4.560 2.620 1.954 3.489 . 0 0 "[ . 1 . 2]" 1
882 1 31 GLY QA 1 34 GLN QG 4.440 . 4.440 2.036 1.878 2.928 . 0 0 "[ . 1 . 2]" 1
883 1 31 GLY QA 1 102 LEU QD 4.510 . 4.510 2.628 1.875 3.556 . 0 0 "[ . 1 . 2]" 1
884 1 33 HIS QB 1 34 GLN QB 5.230 . 5.230 3.931 3.750 4.597 . 0 0 "[ . 1 . 2]" 1
885 1 34 GLN H 1 34 GLN QB 3.620 . 3.620 2.550 2.316 2.662 . 0 0 "[ . 1 . 2]" 1
886 1 34 GLN QB 1 34 GLN QE 3.590 . 3.590 2.053 1.711 3.640 0.089 13 0 "[ . 1 . 2]" 1
887 1 34 GLN QB 1 35 LEU H 3.850 . 3.850 3.544 2.382 3.689 . 0 0 "[ . 1 . 2]" 1
888 1 34 GLN QB 1 64 VAL MG1 4.940 . 4.940 3.405 2.263 3.959 . 0 0 "[ . 1 . 2]" 1
889 1 34 GLN QB 1 64 VAL MG2 5.280 . 5.280 3.654 2.972 4.042 . 0 0 "[ . 1 . 2]" 1
890 1 34 GLN QE 1 38 LEU HG 5.070 . 5.070 3.932 2.864 5.124 0.054 20 0 "[ . 1 . 2]" 1
891 1 34 GLN QE 1 38 LEU QD 3.700 . 3.700 2.705 2.026 3.755 0.055 19 0 "[ . 1 . 2]" 1
892 1 34 GLN QE 1 64 VAL HB 4.030 . 4.030 3.410 2.683 4.071 0.041 16 0 "[ . 1 . 2]" 1
893 1 34 GLN QE 1 64 VAL MG1 4.070 . 4.070 2.413 1.924 2.827 . 0 0 "[ . 1 . 2]" 1
894 1 34 GLN QE 1 64 VAL MG2 4.050 . 4.050 2.874 1.978 3.806 . 0 0 "[ . 1 . 2]" 1
895 1 35 LEU MD1 1 39 GLN QB 4.220 . 4.220 3.445 2.730 3.926 . 0 0 "[ . 1 . 2]" 1
896 1 35 LEU MD1 1 39 GLN QE 3.480 . 3.480 2.436 1.919 3.101 . 0 0 "[ . 1 . 2]" 1
897 1 35 LEU MD2 1 39 GLN QB 5.340 . 5.340 3.515 2.567 4.279 . 0 0 "[ . 1 . 2]" 1
898 1 35 LEU MD2 1 39 GLN QG 4.030 . 4.030 2.917 1.975 4.153 0.123 16 0 "[ . 1 . 2]" 1
899 1 35 LEU MD2 1 39 GLN QE 3.710 . 3.710 2.643 1.997 3.308 . 0 0 "[ . 1 . 2]" 1
900 1 36 LEU HA 1 39 GLN QB 3.130 . 3.130 2.627 2.272 2.884 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU HA 1 39 GLN QG 4.720 . 4.720 3.435 2.295 4.611 . 0 0 "[ . 1 . 2]" 1
902 1 36 LEU QD 1 39 GLN QB 5.340 . 5.340 3.995 3.346 4.750 . 0 0 "[ . 1 . 2]" 1
903 1 39 GLN H 1 39 GLN QG 4.650 . 4.650 2.996 2.126 4.037 . 0 0 "[ . 1 . 2]" 1
904 1 39 GLN HA 1 39 GLN QG 3.500 . 3.500 2.505 2.256 2.936 . 0 0 "[ . 1 . 2]" 1
905 1 39 GLN QB 1 39 GLN QE 4.030 . 4.030 3.141 1.786 3.699 0.014 15 0 "[ . 1 . 2]" 1
906 1 39 GLN QB 1 40 HIS H 3.690 . 3.690 2.684 2.519 2.911 . 0 0 "[ . 1 . 2]" 1
907 1 39 GLN QE 1 105 ASP HB3 4.880 . 4.880 4.115 3.268 4.952 0.072 10 0 "[ . 1 . 2]" 1
908 1 41 GLN HA 1 53 LEU QD 4.550 . 4.550 4.083 3.546 4.497 . 0 0 "[ . 1 . 2]" 1
909 1 41 GLN QB 1 53 LEU QD 3.570 . 3.570 3.394 2.592 3.859 0.289 16 0 "[ . 1 . 2]" 1
910 1 41 GLN QE 1 53 LEU QD 4.610 . 4.610 3.521 2.123 4.742 0.132 15 0 "[ . 1 . 2]" 1
911 1 42 LEU H 1 42 LEU QD 4.110 . 4.110 3.636 2.838 3.752 . 0 0 "[ . 1 . 2]" 1
912 1 42 LEU HA 1 42 LEU QD 3.570 . 3.570 2.204 1.849 3.089 . 0 0 "[ . 1 . 2]" 1
913 1 42 LEU HA 1 45 LEU QD 4.090 . 4.090 3.247 2.892 3.672 . 0 0 "[ . 1 . 2]" 1
914 1 42 LEU HA 1 46 ASN QD 5.340 . 5.340 4.436 3.666 5.491 0.151 15 0 "[ . 1 . 2]" 1
915 1 42 LEU HG 1 46 ASN QD 4.610 . 4.610 3.299 2.204 4.779 0.169 1 0 "[ . 1 . 2]" 1
916 1 42 LEU QD 1 43 ASP H 3.950 . 3.950 3.484 2.890 3.958 0.008 16 0 "[ . 1 . 2]" 1
917 1 42 LEU QD 1 43 ASP HA 4.340 . 4.340 3.577 2.591 4.359 0.019 16 0 "[ . 1 . 2]" 1
918 1 42 LEU QD 1 46 ASN H 4.600 . 4.600 3.750 3.178 4.197 . 0 0 "[ . 1 . 2]" 1
919 1 42 LEU QD 1 46 ASN QB 4.870 . 4.870 3.980 2.410 4.607 . 0 0 "[ . 1 . 2]" 1
920 1 42 LEU QD 1 46 ASN QD 3.350 . 3.350 2.338 1.772 3.173 0.028 11 0 "[ . 1 . 2]" 1
921 1 42 LEU QD 1 109 THR HB 4.610 . 4.610 4.372 4.035 4.823 0.213 17 0 "[ . 1 . 2]" 1
922 1 43 ASP H 1 43 ASP QB 3.160 . 3.160 2.237 2.180 2.304 . 0 0 "[ . 1 . 2]" 1
923 1 43 ASP QB 1 44 GLU H 3.420 . 3.420 2.572 2.463 2.683 . 0 0 "[ . 1 . 2]" 1
924 1 44 GLU H 1 53 LEU QD 4.950 . 4.950 4.726 4.313 4.994 0.044 6 0 "[ . 1 . 2]" 1
925 1 44 GLU QB 1 53 LEU QD 4.110 . 4.110 3.000 2.623 3.393 . 0 0 "[ . 1 . 2]" 1
926 1 44 GLU QG 1 48 ASN QD 4.530 . 4.530 2.963 1.978 3.957 . 0 0 "[ . 1 . 2]" 1
927 1 44 GLU QG 1 53 LEU QD 3.720 . 3.720 2.566 2.108 2.891 . 0 0 "[ . 1 . 2]" 1
928 1 45 LEU H 1 53 LEU QD 4.080 . 4.080 3.225 2.824 3.454 . 0 0 "[ . 1 . 2]" 1
929 1 45 LEU HA 1 45 LEU QD 3.520 . 3.520 2.148 2.034 2.994 . 0 0 "[ . 1 . 2]" 1
930 1 45 LEU HA 1 48 ASN QB 3.540 . 3.540 2.731 2.365 3.066 . 0 0 "[ . 1 . 2]" 1
931 1 45 LEU HA 1 53 LEU QD 3.720 . 3.720 2.038 1.938 2.182 . 0 0 "[ . 1 . 2]" 1
932 1 45 LEU QB 1 48 ASN QB 4.830 . 4.830 4.581 4.259 4.869 0.039 16 0 "[ . 1 . 2]" 1
933 1 45 LEU HG 1 53 LEU QD 3.960 . 3.960 3.913 2.815 4.071 0.111 4 0 "[ . 1 . 2]" 1
934 1 45 LEU QD 1 46 ASN H 5.280 . 5.280 3.846 3.080 4.096 . 0 0 "[ . 1 . 2]" 1
935 1 45 LEU QD 1 46 ASN QB 5.280 . 5.280 4.858 3.382 5.175 . 0 0 "[ . 1 . 2]" 1
936 1 45 LEU QD 1 53 LEU HG 3.080 . 3.080 2.326 2.098 2.831 . 0 0 "[ . 1 . 2]" 1
937 1 45 LEU QD 1 54 GLN H 4.310 . 4.310 2.594 2.454 3.662 . 0 0 "[ . 1 . 2]" 1
938 1 45 LEU QD 1 54 GLN HA 3.470 . 3.470 2.243 1.861 3.130 . 0 0 "[ . 1 . 2]" 1
939 1 45 LEU QD 1 54 GLN QG 4.750 . 4.750 2.746 2.075 3.704 . 0 0 "[ . 1 . 2]" 1
940 1 45 LEU QD 1 113 VAL HA 3.400 . 3.400 2.558 2.209 2.865 . 0 0 "[ . 1 . 2]" 1
941 1 45 LEU QD 1 116 ILE HB 4.200 . 4.200 2.867 2.367 3.494 . 0 0 "[ . 1 . 2]" 1
942 1 45 LEU QD 1 116 ILE MG 3.290 . 3.290 2.489 1.863 2.892 . 0 0 "[ . 1 . 2]" 1
943 1 46 ASN H 1 46 ASN QB 3.300 . 3.300 2.314 2.103 2.593 . 0 0 "[ . 1 . 2]" 1
944 1 46 ASN HA 1 49 LYS QD 3.950 . 3.950 3.379 3.105 3.984 0.034 6 0 "[ . 1 . 2]" 1
945 1 46 ASN QB 1 47 GLU QB 5.110 . 5.110 3.961 3.618 4.666 . 0 0 "[ . 1 . 2]" 1
946 1 46 ASN QB 1 116 ILE MD 3.850 . 3.850 3.561 2.069 3.897 0.047 13 0 "[ . 1 . 2]" 1
947 1 46 ASN QD 1 116 ILE MD 3.780 . 3.780 2.926 2.089 3.928 0.148 9 0 "[ . 1 . 2]" 1
948 1 47 GLU H 1 48 ASN QB 4.590 . 4.590 4.387 4.056 4.614 0.024 10 0 "[ . 1 . 2]" 1
949 1 48 ASN H 1 48 ASN QB 3.540 . 3.540 2.301 2.185 2.420 . 0 0 "[ . 1 . 2]" 1
950 1 48 ASN QD 1 53 LEU QD 3.480 . 3.480 2.767 1.859 3.638 0.158 20 0 "[ . 1 . 2]" 1
951 1 49 LYS QB 1 49 LYS QD 3.340 . 3.340 2.467 2.266 2.847 . 0 0 "[ . 1 . 2]" 1
952 1 49 LYS QD 1 116 ILE HA 3.910 . 3.910 3.892 3.613 4.036 0.126 20 0 "[ . 1 . 2]" 1
953 1 49 LYS QD 1 116 ILE MG 2.870 . 2.870 1.954 1.823 2.177 . 0 0 "[ . 1 . 2]" 1
954 1 49 LYS QD 1 116 ILE MD 4.060 . 4.060 4.172 4.041 4.319 0.259 8 0 "[ . 1 . 2]" 1
955 1 49 LYS QD 1 117 GLN H 4.440 . 4.440 3.492 2.625 4.019 . 0 0 "[ . 1 . 2]" 1
956 1 49 LYS QD 1 118 THR MG 3.700 . 3.700 3.451 2.785 3.860 0.160 12 0 "[ . 1 . 2]" 1
957 1 50 SER H 1 53 LEU QD 3.920 . 3.920 3.587 3.277 4.017 0.097 6 0 "[ . 1 . 2]" 1
958 1 50 SER QB 1 53 LEU QD 3.770 . 3.770 2.765 2.518 3.005 . 0 0 "[ . 1 . 2]" 1
959 1 51 LYS QB 1 119 GLN QB 3.740 . 3.740 3.094 2.124 3.972 0.232 1 0 "[ . 1 . 2]" 1
960 1 51 LYS QD 1 119 GLN QB 3.370 . 3.370 2.376 1.784 3.487 0.117 18 0 "[ . 1 . 2]" 1
961 1 53 LEU H 1 53 LEU QD 3.910 . 3.910 3.715 3.634 3.814 . 0 0 "[ . 1 . 2]" 1
962 1 53 LEU HA 1 53 LEU QD 3.300 . 3.300 2.074 1.993 2.136 . 0 0 "[ . 1 . 2]" 1
963 1 53 LEU QD 1 54 GLN H 4.680 . 4.680 3.925 3.856 4.035 . 0 0 "[ . 1 . 2]" 1
964 1 53 LEU QD 1 56 LYS H 5.020 . 5.020 4.473 4.348 4.600 . 0 0 "[ . 1 . 2]" 1
965 1 53 LEU QD 1 56 LYS QB 4.280 . 4.280 2.997 2.780 3.206 . 0 0 "[ . 1 . 2]" 1
966 1 53 LEU QD 1 56 LYS QG 4.140 . 4.140 3.815 3.324 4.266 0.126 13 0 "[ . 1 . 2]" 1
967 1 53 LEU QD 1 57 ILE H 4.500 . 4.500 3.900 3.686 4.080 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU QD 1 57 ILE HB 5.060 . 5.060 4.502 4.228 4.804 . 0 0 "[ . 1 . 2]" 1
969 1 53 LEU QD 1 57 ILE MD 3.330 . 3.330 2.443 2.079 2.803 . 0 0 "[ . 1 . 2]" 1
970 1 54 GLN HA 1 113 VAL QG 4.900 . 4.900 3.013 2.448 4.209 . 0 0 "[ . 1 . 2]" 1
971 1 54 GLN QB 1 54 GLN QE 4.070 . 4.070 2.924 1.740 3.478 0.060 11 0 "[ . 1 . 2]" 1
972 1 54 GLN QE 1 118 THR MG 4.280 . 4.280 3.078 1.991 4.226 . 0 0 "[ . 1 . 2]" 1
973 1 55 GLU QB 1 56 LYS H 3.230 . 3.230 2.496 2.331 2.727 . 0 0 "[ . 1 . 2]" 1
974 1 55 GLU QB 1 56 LYS QG 4.240 . 4.240 3.278 3.012 3.488 . 0 0 "[ . 1 . 2]" 1
975 1 58 ILE MG 1 62 ASP QB 4.640 . 4.640 3.978 2.995 4.579 . 0 0 "[ . 1 . 2]" 1
976 1 59 ARG HA 1 59 ARG QG 3.310 . 3.310 2.522 2.334 3.017 . 0 0 "[ . 1 . 2]" 1
977 1 59 ARG QB 1 60 GLU H 3.410 . 3.410 2.586 2.351 2.776 . 0 0 "[ . 1 . 2]" 1
978 1 59 ARG QG 1 60 GLU H 4.860 . 4.860 4.374 3.560 4.621 . 0 0 "[ . 1 . 2]" 1
979 1 60 GLU H 1 63 VAL QG 4.930 . 4.930 4.184 3.880 4.469 . 0 0 "[ . 1 . 2]" 1
980 1 60 GLU HA 1 63 VAL QG 3.580 . 3.580 2.242 1.784 2.929 0.016 15 0 "[ . 1 . 2]" 1
981 1 60 GLU QG 1 63 VAL QG 4.260 . 4.260 3.484 2.687 4.282 0.022 18 0 "[ . 1 . 2]" 1
982 1 61 LEU H 1 61 LEU QD 4.060 . 4.060 3.677 3.491 3.744 . 0 0 "[ . 1 . 2]" 1
983 1 61 LEU HA 1 61 LEU QD 3.020 . 3.020 2.270 1.945 2.982 . 0 0 "[ . 1 . 2]" 1
984 1 61 LEU QB 1 61 LEU QD 2.770 . 2.770 1.938 1.883 2.087 . 0 0 "[ . 1 . 2]" 1
985 1 61 LEU QD 1 62 ASP H 4.460 . 4.460 3.709 3.182 3.955 . 0 0 "[ . 1 . 2]" 1
986 1 61 LEU QD 1 62 ASP HA 4.870 . 4.870 3.967 2.890 4.584 . 0 0 "[ . 1 . 2]" 1
987 1 61 LEU QD 1 64 VAL H 5.130 . 5.130 4.751 4.087 5.059 . 0 0 "[ . 1 . 2]" 1
988 1 61 LEU QD 1 65 CYS H 4.390 . 4.390 4.007 2.987 4.418 0.028 15 0 "[ . 1 . 2]" 1
989 1 61 LEU QD 1 109 THR H 5.440 . 5.440 4.145 3.861 4.516 . 0 0 "[ . 1 . 2]" 1
990 1 61 LEU QD 1 109 THR HB 4.270 . 4.270 2.557 2.185 3.038 . 0 0 "[ . 1 . 2]" 1
991 1 61 LEU QD 1 109 THR MG 3.500 . 3.500 2.718 2.231 3.670 0.170 20 0 "[ . 1 . 2]" 1
992 1 61 LEU QD 1 110 GLU HA 3.530 . 3.530 2.384 2.089 3.604 0.074 18 0 "[ . 1 . 2]" 1
993 1 61 LEU QD 1 110 GLU QB 4.190 . 4.190 2.102 1.745 2.339 0.055 2 0 "[ . 1 . 2]" 1
994 1 61 LEU QD 1 110 GLU QG 4.340 . 4.340 2.920 2.333 3.634 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP H 1 63 VAL QG 5.140 . 5.140 3.943 3.701 4.142 . 0 0 "[ . 1 . 2]" 1
996 1 62 ASP HA 1 65 CYS QB 4.040 . 4.040 2.846 2.383 4.062 0.022 15 0 "[ . 1 . 2]" 1
997 1 62 ASP QB 1 63 VAL H 3.490 . 3.490 2.509 2.380 2.632 . 0 0 "[ . 1 . 2]" 1
998 1 62 ASP QB 1 63 VAL QG 4.090 . 4.090 3.375 3.009 4.053 . 0 0 "[ . 1 . 2]" 1
999 1 63 VAL H 1 63 VAL QG 2.960 . 2.960 2.036 1.902 2.289 . 0 0 "[ . 1 . 2]" 1
1000 1 63 VAL HA 1 63 VAL QG 2.930 . 2.930 2.240 2.132 2.387 . 0 0 "[ . 1 . 2]" 1
1001 1 63 VAL QG 1 64 VAL H 3.470 . 3.470 2.559 2.136 3.159 . 0 0 "[ . 1 . 2]" 1
1002 1 63 VAL QG 1 66 ALA MB 4.700 . 4.700 3.628 3.309 4.015 . 0 0 "[ . 1 . 2]" 1
1003 1 63 VAL QG 1 67 MET H 5.440 . 5.440 4.195 3.789 4.821 . 0 0 "[ . 1 . 2]" 1
1004 1 63 VAL QG 1 67 MET ME 4.100 . 4.100 2.273 1.943 2.839 . 0 0 "[ . 1 . 2]" 1
1005 1 65 CYS H 1 65 CYS QB 3.680 . 3.680 2.400 2.262 2.715 . 0 0 "[ . 1 . 2]" 1
1006 1 65 CYS QB 1 66 ALA H 3.670 . 3.670 2.794 2.554 3.581 . 0 0 "[ . 1 . 2]" 1
1007 1 65 CYS QB 1 66 ALA MB 5.030 . 5.030 3.938 3.717 4.642 . 0 0 "[ . 1 . 2]" 1
1008 1 68 ILE MG 1 72 GLN QE 5.030 . 5.030 4.479 3.710 5.127 0.097 4 0 "[ . 1 . 2]" 1
1009 1 72 GLN HA 1 72 GLN QE 4.380 . 4.380 4.281 3.162 4.632 0.252 5 0 "[ . 1 . 2]" 1
1010 1 72 GLN QE 1 76 GLU QB 5.160 . 5.160 4.581 3.678 5.248 0.088 8 0 "[ . 1 . 2]" 1
1011 1 72 GLN QE 1 76 GLU QG 3.890 . 3.890 3.837 3.275 4.119 0.229 10 0 "[ . 1 . 2]" 1
1012 1 72 GLN QE 1 100 LYS HA 4.580 . 4.580 4.546 4.084 4.713 0.133 7 0 "[ . 1 . 2]" 1
1013 1 72 GLN QE 1 100 LYS QG 5.340 . 5.340 4.354 3.597 5.434 0.094 19 0 "[ . 1 . 2]" 1
1014 1 72 GLN QE 1 103 LEU HG 4.250 . 4.250 3.901 2.877 4.468 0.218 10 0 "[ . 1 . 2]" 1
1015 1 72 GLN QE 1 103 LEU QD 3.940 . 3.940 2.817 1.803 3.733 . 0 0 "[ . 1 . 2]" 1
1016 1 85 ASN QD 1 87 LEU QB 4.670 . 4.670 3.565 2.344 4.827 0.157 15 0 "[ . 1 . 2]" 1
1017 1 86 ILE H 1 86 ILE QG 4.390 . 4.390 2.234 1.827 3.364 . 0 0 "[ . 1 . 2]" 1
1018 1 86 ILE HA 1 86 ILE QG 3.640 . 3.640 2.517 2.350 3.005 . 0 0 "[ . 1 . 2]" 1
1019 1 86 ILE QG 1 86 ILE MG 3.180 . 3.180 2.272 2.095 2.339 . 0 0 "[ . 1 . 2]" 1
1020 1 87 LEU QD 1 91 ASN QB 4.220 . 4.220 3.426 2.058 4.247 0.027 4 0 "[ . 1 . 2]" 1
1021 1 87 LEU QD 1 91 ASN QD 4.010 . 4.010 2.583 1.777 4.177 0.167 9 0 "[ . 1 . 2]" 1
1022 1 88 GLU HA 1 91 ASN QB 4.400 . 4.400 2.503 2.144 3.111 . 0 0 "[ . 1 . 2]" 1
1023 1 91 ASN QB 1 92 TYR H 4.410 . 4.410 2.406 2.269 2.608 . 0 0 "[ . 1 . 2]" 1
1024 1 97 THR MG 1 101 ILE QG 3.560 . 3.560 3.088 2.937 3.597 0.037 7 0 "[ . 1 . 2]" 1
1025 1 101 ILE H 1 101 ILE QG 3.890 . 3.890 2.377 2.037 3.612 . 0 0 "[ . 1 . 2]" 1
1026 1 101 ILE HA 1 104 LYS QB 3.530 . 3.530 2.796 2.543 3.007 . 0 0 "[ . 1 . 2]" 1
1027 1 101 ILE QG 1 101 ILE MG 2.770 . 2.770 2.283 2.108 2.333 . 0 0 "[ . 1 . 2]" 1
1028 1 101 ILE MG 1 104 LYS QB 3.860 . 3.860 3.770 3.465 3.895 0.035 12 0 "[ . 1 . 2]" 1
1029 1 103 LEU QB 1 104 LYS QB 5.150 . 5.150 4.174 3.836 4.549 . 0 0 "[ . 1 . 2]" 1
1030 1 103 LEU QD 1 104 LYS QB 5.340 . 5.340 5.184 4.924 5.398 0.058 20 0 "[ . 1 . 2]" 1
1031 1 104 LYS H 1 104 LYS QB 3.190 . 3.190 2.309 2.174 2.490 . 0 0 "[ . 1 . 2]" 1
1032 1 104 LYS QB 1 104 LYS QD 3.300 . 3.300 2.333 2.209 2.571 . 0 0 "[ . 1 . 2]" 1
1033 1 104 LYS QB 1 104 LYS QE 3.870 . 3.870 2.002 1.863 2.510 . 0 0 "[ . 1 . 2]" 1
1034 1 104 LYS QB 1 105 ASP H 3.420 . 3.420 2.588 2.310 2.921 . 0 0 "[ . 1 . 2]" 1
1035 1 110 GLU HA 1 113 VAL QG 4.580 . 4.580 2.297 1.892 3.030 . 0 0 "[ . 1 . 2]" 1
1036 1 112 LYS H 1 113 VAL QG 4.410 . 4.410 3.841 3.572 4.047 . 0 0 "[ . 1 . 2]" 1
1037 1 112 LYS QB 1 113 VAL QG 4.730 . 4.730 3.460 2.813 3.960 . 0 0 "[ . 1 . 2]" 1
1038 1 113 VAL HA 1 113 VAL QG 3.130 . 3.130 2.250 2.142 2.353 . 0 0 "[ . 1 . 2]" 1
1039 1 113 VAL QG 1 114 LYS H 3.420 . 3.420 2.487 2.036 3.147 . 0 0 "[ . 1 . 2]" 1
1040 1 113 VAL QG 1 114 LYS HA 3.870 . 3.870 3.281 3.124 3.507 . 0 0 "[ . 1 . 2]" 1
1041 1 113 VAL QG 1 115 ASP H 5.030 . 5.030 4.069 3.856 4.338 . 0 0 "[ . 1 . 2]" 1
1042 1 119 GLN H 1 119 GLN QB 3.370 . 3.370 2.585 2.253 2.964 . 0 0 "[ . 1 . 2]" 1
1043 1 119 GLN HA 1 119 GLN QE 5.010 . 5.010 3.844 2.329 4.955 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 156
_Distance_constraint_stats_list.Viol_count 611
_Distance_constraint_stats_list.Viol_total 673.711
_Distance_constraint_stats_list.Viol_max 0.371
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0551
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 19 LEU 0.794 0.132 17 0 "[ . 1 . 2]"
1 20 LEU 1.632 0.193 20 0 "[ . 1 . 2]"
1 21 ILE 0.499 0.072 6 0 "[ . 1 . 2]"
1 22 GLU 0.385 0.097 9 0 "[ . 1 . 2]"
1 23 GLN 1.503 0.132 17 0 "[ . 1 . 2]"
1 24 ALA 1.632 0.193 20 0 "[ . 1 . 2]"
1 25 ASN 1.025 0.072 6 0 "[ . 1 . 2]"
1 26 HIS 0.397 0.097 9 0 "[ . 1 . 2]"
1 27 ALA 0.992 0.077 17 0 "[ . 1 . 2]"
1 28 ILE 0.016 0.016 1 0 "[ . 1 . 2]"
1 29 GLU 2.181 0.135 17 0 "[ . 1 . 2]"
1 30 LYS 0.012 0.012 5 0 "[ . 1 . 2]"
1 31 GLY 0.295 0.055 18 0 "[ . 1 . 2]"
1 32 GLU 0.045 0.019 12 0 "[ . 1 . 2]"
1 33 HIS 2.188 0.135 17 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.013 0.010 1 0 "[ . 1 . 2]"
1 36 LEU 0.029 0.019 12 0 "[ . 1 . 2]"
1 37 TYR 0.532 0.132 16 0 "[ . 1 . 2]"
1 38 LEU 0.160 0.051 12 0 "[ . 1 . 2]"
1 39 GLN 1.425 0.138 15 0 "[ . 1 . 2]"
1 40 HIS 2.310 0.142 4 0 "[ . 1 . 2]"
1 41 GLN 0.469 0.114 1 0 "[ . 1 . 2]"
1 42 LEU 0.339 0.090 11 0 "[ . 1 . 2]"
1 43 ASP 1.425 0.138 15 0 "[ . 1 . 2]"
1 44 GLU 2.390 0.142 4 0 "[ . 1 . 2]"
1 45 LEU 0.841 0.114 1 0 "[ . 1 . 2]"
1 46 ASN 0.180 0.090 11 0 "[ . 1 . 2]"
1 48 ASN 0.080 0.038 3 0 "[ . 1 . 2]"
1 49 LYS 0.372 0.075 20 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.024 0.023 12 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.015 0.015 9 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.024 0.023 12 0 "[ . 1 . 2]"
1 57 ILE 0.023 0.023 17 0 "[ . 1 . 2]"
1 58 ILE 0.015 0.015 9 0 "[ . 1 . 2]"
1 59 ARG 0.194 0.051 16 0 "[ . 1 . 2]"
1 60 GLU 0.363 0.073 1 0 "[ . 1 . 2]"
1 61 LEU 0.109 0.086 18 0 "[ . 1 . 2]"
1 62 ASP 0.038 0.027 15 0 "[ . 1 . 2]"
1 63 VAL 0.243 0.051 16 0 "[ . 1 . 2]"
1 64 VAL 0.363 0.073 1 0 "[ . 1 . 2]"
1 65 CYS 0.086 0.086 18 0 "[ . 1 . 2]"
1 66 ALA 0.038 0.027 15 0 "[ . 1 . 2]"
1 67 MET 0.101 0.029 1 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.013 0.011 14 0 "[ . 1 . 2]"
1 70 GLY 0.178 0.076 4 0 "[ . 1 . 2]"
1 71 ALA 0.068 0.022 6 0 "[ . 1 . 2]"
1 72 GLN 0.087 0.050 17 0 "[ . 1 . 2]"
1 73 GLY 3.064 0.158 4 0 "[ . 1 . 2]"
1 74 ALA 1.715 0.170 18 0 "[ . 1 . 2]"
1 75 LEU 1.093 0.098 13 0 "[ . 1 . 2]"
1 76 GLU 1.949 0.242 1 0 "[ . 1 . 2]"
1 77 ARG 3.051 0.158 4 0 "[ . 1 . 2]"
1 78 GLU 1.537 0.170 18 0 "[ . 1 . 2]"
1 79 LEU 1.077 0.098 13 0 "[ . 1 . 2]"
1 80 LYS 1.861 0.242 1 0 "[ . 1 . 2]"
1 85 ASN 0.062 0.029 2 0 "[ . 1 . 2]"
1 86 ILE 2.091 0.120 18 0 "[ . 1 . 2]"
1 87 LEU 0.059 0.025 5 0 "[ . 1 . 2]"
1 88 GLU 0.105 0.031 3 0 "[ . 1 . 2]"
1 89 ARG 0.120 0.030 13 0 "[ . 1 . 2]"
1 90 PHE 2.118 0.120 18 0 "[ . 1 . 2]"
1 91 ASN 0.064 0.025 5 0 "[ . 1 . 2]"
1 92 TYR 0.105 0.031 3 0 "[ . 1 . 2]"
1 93 GLU 0.089 0.031 13 0 "[ . 1 . 2]"
1 94 GLU 0.149 0.064 12 0 "[ . 1 . 2]"
1 95 ALA 0.005 0.005 12 0 "[ . 1 . 2]"
1 96 GLN 0.068 0.055 17 0 "[ . 1 . 2]"
1 97 THR 2.072 0.115 20 0 "[ . 1 . 2]"
1 98 LEU 0.121 0.064 12 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.167 0.055 17 0 "[ . 1 . 2]"
1 101 ILE 2.046 0.115 20 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.031 0.026 1 0 "[ . 1 . 2]"
1 104 LYS 0.167 0.033 18 0 "[ . 1 . 2]"
1 105 ASP 0.468 0.134 16 0 "[ . 1 . 2]"
1 106 LEU 0.108 0.038 8 0 "[ . 1 . 2]"
1 107 LYS 0.554 0.085 18 0 "[ . 1 . 2]"
1 108 GLU 0.708 0.086 1 0 "[ . 1 . 2]"
1 109 THR 0.464 0.134 16 0 "[ . 1 . 2]"
1 110 GLU 0.116 0.038 8 0 "[ . 1 . 2]"
1 111 GLN 1.608 0.121 8 0 "[ . 1 . 2]"
1 112 LYS 5.883 0.371 8 0 "[ . 1 . 2]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 0.007 0.007 7 0 "[ . 1 . 2]"
1 115 ASP 1.086 0.121 8 0 "[ . 1 . 2]"
1 116 ILE 5.243 0.371 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 LEU O 1 23 GLN H 2.220 . 2.220 2.107 1.760 2.313 0.093 17 0 "[ . 1 . 2]" 2
2 1 19 LEU O 1 23 GLN N 3.130 . 3.130 3.027 2.669 3.262 0.132 17 0 "[ . 1 . 2]" 2
3 1 20 LEU O 1 24 ALA H 2.220 . 2.220 2.227 1.948 2.413 0.193 20 0 "[ . 1 . 2]" 2
4 1 20 LEU O 1 24 ALA N 3.130 . 3.130 3.133 2.917 3.299 0.169 18 0 "[ . 1 . 2]" 2
5 1 21 ILE O 1 25 ASN H 2.220 . 2.220 1.790 1.728 1.997 0.072 6 0 "[ . 1 . 2]" 2
6 1 21 ILE O 1 25 ASN N 3.130 . 3.130 2.721 2.633 2.943 . 0 0 "[ . 1 . 2]" 2
7 1 22 GLU O 1 26 HIS H 2.220 . 2.220 2.087 1.863 2.317 0.097 9 0 "[ . 1 . 2]" 2
8 1 22 GLU O 1 26 HIS N 3.130 . 3.130 2.962 2.783 3.202 0.072 9 0 "[ . 1 . 2]" 2
9 1 23 GLN O 1 27 ALA H 2.220 . 2.220 2.069 1.746 2.278 0.058 13 0 "[ . 1 . 2]" 2
10 1 23 GLN O 1 27 ALA N 3.130 . 3.130 3.003 2.697 3.207 0.077 17 0 "[ . 1 . 2]" 2
11 1 24 ALA O 1 28 ILE H 2.220 . 2.220 1.991 1.821 2.179 . 0 0 "[ . 1 . 2]" 2
12 1 24 ALA O 1 28 ILE N 3.130 . 3.130 2.957 2.799 3.121 . 0 0 "[ . 1 . 2]" 2
13 1 25 ASN O 1 29 GLU H 2.220 . 2.220 2.193 1.913 2.279 0.059 11 0 "[ . 1 . 2]" 2
14 1 25 ASN O 1 29 GLU N 3.130 . 3.130 3.082 2.810 3.163 0.033 18 0 "[ . 1 . 2]" 2
15 1 26 HIS O 1 30 LYS H 2.220 . 2.220 2.079 2.008 2.180 . 0 0 "[ . 1 . 2]" 2
16 1 26 HIS O 1 30 LYS N 3.130 . 3.130 3.008 2.933 3.142 0.012 5 0 "[ . 1 . 2]" 2
17 1 27 ALA O 1 31 GLY H 2.220 . 2.220 1.822 1.745 1.964 0.055 18 0 "[ . 1 . 2]" 2
18 1 27 ALA O 1 31 GLY N 3.130 . 3.130 2.772 2.684 2.899 . 0 0 "[ . 1 . 2]" 2
19 1 28 ILE O 1 32 GLU H 2.220 . 2.220 1.882 1.784 2.066 0.016 1 0 "[ . 1 . 2]" 2
20 1 28 ILE O 1 32 GLU N 3.130 . 3.130 2.803 2.703 2.942 . 0 0 "[ . 1 . 2]" 2
21 1 29 GLU O 1 33 HIS H 2.220 . 2.220 2.246 2.162 2.323 0.103 12 0 "[ . 1 . 2]" 2
22 1 29 GLU O 1 33 HIS N 3.130 . 3.130 3.172 3.042 3.265 0.135 17 0 "[ . 1 . 2]" 2
23 1 30 LYS O 1 34 GLN H 2.220 . 2.220 2.010 1.905 2.139 . 0 0 "[ . 1 . 2]" 2
24 1 30 LYS O 1 34 GLN N 3.130 . 3.130 2.968 2.864 3.096 . 0 0 "[ . 1 . 2]" 2
25 1 31 GLY O 1 35 LEU H 2.220 . 2.220 1.917 1.790 2.140 0.010 1 0 "[ . 1 . 2]" 2
26 1 31 GLY O 1 35 LEU N 3.130 . 3.130 2.804 2.710 2.936 . 0 0 "[ . 1 . 2]" 2
27 1 32 GLU O 1 36 LEU H 2.220 . 2.220 2.064 1.929 2.211 . 0 0 "[ . 1 . 2]" 2
28 1 32 GLU O 1 36 LEU N 3.130 . 3.130 3.013 2.885 3.149 0.019 12 0 "[ . 1 . 2]" 2
29 1 33 HIS O 1 37 TYR H 2.220 . 2.220 2.208 2.051 2.352 0.132 16 0 "[ . 1 . 2]" 2
30 1 33 HIS O 1 37 TYR N 3.130 . 3.130 2.996 2.880 3.112 . 0 0 "[ . 1 . 2]" 2
31 1 34 GLN O 1 38 LEU H 2.220 . 2.220 1.910 1.816 2.044 . 0 0 "[ . 1 . 2]" 2
32 1 34 GLN O 1 38 LEU N 3.130 . 3.130 2.872 2.770 2.986 . 0 0 "[ . 1 . 2]" 2
33 1 35 LEU O 1 39 GLN H 2.220 . 2.220 2.010 1.906 2.159 . 0 0 "[ . 1 . 2]" 2
34 1 35 LEU O 1 39 GLN N 3.130 . 3.130 2.915 2.797 3.056 . 0 0 "[ . 1 . 2]" 2
35 1 38 LEU O 1 42 LEU H 2.220 . 2.220 1.838 1.749 2.000 0.051 12 0 "[ . 1 . 2]" 2
36 1 38 LEU O 1 42 LEU N 3.130 . 3.130 2.802 2.684 2.960 . 0 0 "[ . 1 . 2]" 2
37 1 39 GLN O 1 43 ASP H 2.220 . 2.220 2.242 2.125 2.358 0.138 15 0 "[ . 1 . 2]" 2
38 1 39 GLN O 1 43 ASP N 3.130 . 3.130 3.153 3.048 3.261 0.131 15 0 "[ . 1 . 2]" 2
39 1 40 HIS O 1 44 GLU H 2.220 . 2.220 2.265 2.045 2.362 0.142 4 0 "[ . 1 . 2]" 2
40 1 40 HIS O 1 44 GLU N 3.130 . 3.130 3.156 2.958 3.268 0.138 4 0 "[ . 1 . 2]" 2
41 1 41 GLN O 1 45 LEU H 2.220 . 2.220 1.845 1.686 2.076 0.114 1 0 "[ . 1 . 2]" 2
42 1 41 GLN O 1 45 LEU N 3.130 . 3.130 2.769 2.656 2.919 . 0 0 "[ . 1 . 2]" 2
43 1 42 LEU O 1 46 ASN H 2.220 . 2.220 2.049 1.795 2.310 0.090 11 0 "[ . 1 . 2]" 2
44 1 42 LEU O 1 46 ASN N 3.130 . 3.130 2.926 2.680 3.140 0.010 11 0 "[ . 1 . 2]" 2
45 1 44 GLU O 1 48 ASN H 2.220 . 2.220 1.941 1.770 2.232 0.030 9 0 "[ . 1 . 2]" 2
46 1 44 GLU O 1 48 ASN N 3.130 . 3.130 2.873 2.676 3.168 0.038 3 0 "[ . 1 . 2]" 2
47 1 45 LEU O 1 49 LYS H 2.220 . 2.220 1.805 1.725 1.943 0.075 20 0 "[ . 1 . 2]" 2
48 1 45 LEU O 1 49 LYS N 3.130 . 3.130 2.663 2.601 2.765 . 0 0 "[ . 1 . 2]" 2
49 1 50 SER O 1 54 GLN H 2.220 . 2.220 1.962 1.857 2.065 . 0 0 "[ . 1 . 2]" 2
50 1 50 SER O 1 54 GLN N 3.130 . 3.130 2.894 2.788 2.987 . 0 0 "[ . 1 . 2]" 2
51 1 51 LYS O 1 55 GLU H 2.220 . 2.220 2.005 1.873 2.141 . 0 0 "[ . 1 . 2]" 2
52 1 51 LYS O 1 55 GLU N 3.130 . 3.130 2.930 2.809 3.062 . 0 0 "[ . 1 . 2]" 2
53 1 52 GLU O 1 56 LYS H 2.220 . 2.220 2.061 1.935 2.195 . 0 0 "[ . 1 . 2]" 2
54 1 52 GLU O 1 56 LYS N 3.130 . 3.130 3.019 2.910 3.153 0.023 12 0 "[ . 1 . 2]" 2
55 1 53 LEU O 1 57 ILE H 2.220 . 2.220 1.959 1.897 2.082 . 0 0 "[ . 1 . 2]" 2
56 1 53 LEU O 1 57 ILE N 3.130 . 3.130 2.901 2.826 3.020 . 0 0 "[ . 1 . 2]" 2
57 1 54 GLN O 1 58 ILE H 2.220 . 2.220 1.942 1.828 2.163 . 0 0 "[ . 1 . 2]" 2
58 1 54 GLN O 1 58 ILE N 3.130 . 3.130 2.912 2.806 3.145 0.015 9 0 "[ . 1 . 2]" 2
59 1 56 LYS O 1 60 GLU H 2.220 . 2.220 1.930 1.844 2.020 . 0 0 "[ . 1 . 2]" 2
60 1 56 LYS O 1 60 GLU N 3.130 . 3.130 2.899 2.808 2.995 . 0 0 "[ . 1 . 2]" 2
61 1 57 ILE O 1 61 LEU H 2.220 . 2.220 2.040 1.854 2.243 0.023 17 0 "[ . 1 . 2]" 2
62 1 57 ILE O 1 61 LEU N 3.130 . 3.130 2.915 2.760 3.074 . 0 0 "[ . 1 . 2]" 2
63 1 58 ILE O 1 62 ASP H 2.220 . 2.220 1.977 1.843 2.098 . 0 0 "[ . 1 . 2]" 2
64 1 58 ILE O 1 62 ASP N 3.130 . 3.130 2.897 2.793 3.025 . 0 0 "[ . 1 . 2]" 2
65 1 59 ARG O 1 63 VAL H 2.220 . 2.220 2.141 1.976 2.236 0.016 3 0 "[ . 1 . 2]" 2
66 1 59 ARG O 1 63 VAL N 3.130 . 3.130 3.091 2.925 3.181 0.051 16 0 "[ . 1 . 2]" 2
67 1 60 GLU O 1 64 VAL H 2.220 . 2.220 2.137 1.933 2.267 0.047 1 0 "[ . 1 . 2]" 2
68 1 60 GLU O 1 64 VAL N 3.130 . 3.130 3.078 2.875 3.203 0.073 1 0 "[ . 1 . 2]" 2
69 1 61 LEU O 1 65 CYS H 2.220 . 2.220 1.939 1.714 2.099 0.086 18 0 "[ . 1 . 2]" 2
70 1 61 LEU O 1 65 CYS N 3.130 . 3.130 2.838 2.680 3.012 . 0 0 "[ . 1 . 2]" 2
71 1 62 ASP O 1 66 ALA H 2.220 . 2.220 1.981 1.853 2.247 0.027 15 0 "[ . 1 . 2]" 2
72 1 62 ASP O 1 66 ALA N 3.130 . 3.130 2.885 2.768 3.138 0.008 15 0 "[ . 1 . 2]" 2
73 1 63 VAL O 1 67 MET H 2.220 . 2.220 2.080 1.935 2.208 . 0 0 "[ . 1 . 2]" 2
74 1 63 VAL O 1 67 MET N 3.130 . 3.130 3.038 2.911 3.159 0.029 1 0 "[ . 1 . 2]" 2
75 1 64 VAL O 1 68 ILE H 2.220 . 2.220 2.039 1.912 2.209 . 0 0 "[ . 1 . 2]" 2
76 1 64 VAL O 1 68 ILE N 3.130 . 3.130 2.968 2.834 3.115 . 0 0 "[ . 1 . 2]" 2
77 1 65 CYS O 1 69 GLU H 2.220 . 2.220 1.980 1.804 2.125 . 0 0 "[ . 1 . 2]" 2
78 1 65 CYS O 1 69 GLU N 3.130 . 3.130 2.879 2.745 2.981 . 0 0 "[ . 1 . 2]" 2
79 1 66 ALA O 1 70 GLY H 2.220 . 2.220 1.999 1.873 2.103 . 0 0 "[ . 1 . 2]" 2
80 1 66 ALA O 1 70 GLY N 3.130 . 3.130 2.902 2.784 3.026 . 0 0 "[ . 1 . 2]" 2
81 1 67 MET O 1 71 ALA H 2.220 . 2.220 2.113 2.007 2.200 . 0 0 "[ . 1 . 2]" 2
82 1 67 MET O 1 71 ALA N 3.130 . 3.130 3.060 2.968 3.152 0.022 6 0 "[ . 1 . 2]" 2
83 1 68 ILE O 1 72 GLN H 2.220 . 2.220 1.957 1.836 2.094 . 0 0 "[ . 1 . 2]" 2
84 1 68 ILE O 1 72 GLN N 3.130 . 3.130 2.849 2.770 2.921 . 0 0 "[ . 1 . 2]" 2
85 1 69 GLU O 1 73 GLY H 2.220 . 2.220 2.079 1.902 2.231 0.011 14 0 "[ . 1 . 2]" 2
86 1 69 GLU O 1 73 GLY N 3.130 . 3.130 2.966 2.839 3.131 0.001 17 0 "[ . 1 . 2]" 2
87 1 70 GLY O 1 74 ALA H 2.220 . 2.220 2.167 2.031 2.296 0.076 4 0 "[ . 1 . 2]" 2
88 1 70 GLY O 1 74 ALA N 3.130 . 3.130 3.047 2.926 3.132 0.002 7 0 "[ . 1 . 2]" 2
89 1 71 ALA O 1 75 LEU H 2.220 . 2.220 1.903 1.784 2.041 0.016 12 0 "[ . 1 . 2]" 2
90 1 71 ALA O 1 75 LEU N 3.130 . 3.130 2.840 2.732 2.925 . 0 0 "[ . 1 . 2]" 2
91 1 72 GLN O 1 76 GLU H 2.220 . 2.220 2.047 1.787 2.245 0.025 7 0 "[ . 1 . 2]" 2
92 1 72 GLN O 1 76 GLU N 3.130 . 3.130 2.957 2.749 3.180 0.050 17 0 "[ . 1 . 2]" 2
93 1 73 GLY O 1 77 ARG H 2.220 . 2.220 2.273 2.232 2.332 0.112 15 0 "[ . 1 . 2]" 2
94 1 73 GLY O 1 77 ARG N 3.130 . 3.130 3.230 3.184 3.288 0.158 4 0 "[ . 1 . 2]" 2
95 1 74 ALA O 1 78 GLU H 2.220 . 2.220 2.230 2.078 2.390 0.170 18 0 "[ . 1 . 2]" 2
96 1 74 ALA O 1 78 GLU N 3.130 . 3.130 3.154 3.015 3.285 0.155 18 0 "[ . 1 . 2]" 2
97 1 75 LEU O 1 79 LEU H 2.220 . 2.220 1.761 1.702 1.951 0.098 13 0 "[ . 1 . 2]" 2
98 1 75 LEU O 1 79 LEU N 3.130 . 3.130 2.724 2.655 2.927 . 0 0 "[ . 1 . 2]" 2
99 1 76 GLU O 1 80 LYS H 2.220 . 2.220 2.292 2.069 2.462 0.242 1 0 "[ . 1 . 2]" 2
100 1 76 GLU O 1 80 LYS N 3.130 . 3.130 2.983 2.785 3.137 0.007 4 0 "[ . 1 . 2]" 2
101 1 85 ASN O 1 89 ARG H 2.220 . 2.220 1.938 1.771 2.155 0.029 2 0 "[ . 1 . 2]" 2
102 1 85 ASN O 1 89 ARG N 3.130 . 3.130 2.882 2.723 3.063 . 0 0 "[ . 1 . 2]" 2
103 1 86 ILE O 1 90 PHE H 2.220 . 2.220 2.262 2.144 2.340 0.120 18 0 "[ . 1 . 2]" 2
104 1 86 ILE O 1 90 PHE N 3.130 . 3.130 3.185 3.093 3.235 0.105 18 0 "[ . 1 . 2]" 2
105 1 87 LEU O 1 91 ASN H 2.220 . 2.220 1.885 1.775 2.057 0.025 5 0 "[ . 1 . 2]" 2
106 1 87 LEU O 1 91 ASN N 3.130 . 3.130 2.827 2.731 3.000 . 0 0 "[ . 1 . 2]" 2
107 1 88 GLU O 1 92 TYR H 2.220 . 2.220 1.853 1.769 1.955 0.031 3 0 "[ . 1 . 2]" 2
108 1 88 GLU O 1 92 TYR N 3.130 . 3.130 2.829 2.751 2.918 . 0 0 "[ . 1 . 2]" 2
109 1 89 ARG O 1 93 GLU H 2.220 . 2.220 1.998 1.849 2.250 0.030 13 0 "[ . 1 . 2]" 2
110 1 89 ARG O 1 93 GLU N 3.130 . 3.130 2.950 2.824 3.156 0.026 13 0 "[ . 1 . 2]" 2
111 1 90 PHE O 1 94 GLU H 2.220 . 2.220 1.972 1.773 2.195 0.027 15 0 "[ . 1 . 2]" 2
112 1 90 PHE O 1 94 GLU N 3.130 . 3.130 2.886 2.721 3.013 . 0 0 "[ . 1 . 2]" 2
113 1 91 ASN O 1 95 ALA H 2.220 . 2.220 1.882 1.795 2.026 0.005 12 0 "[ . 1 . 2]" 2
114 1 91 ASN O 1 95 ALA N 3.130 . 3.130 2.826 2.744 2.913 . 0 0 "[ . 1 . 2]" 2
115 1 92 TYR O 1 96 GLN H 2.220 . 2.220 1.951 1.851 2.118 . 0 0 "[ . 1 . 2]" 2
116 1 92 TYR O 1 96 GLN N 3.130 . 3.130 2.911 2.809 3.090 . 0 0 "[ . 1 . 2]" 2
117 1 93 GLU O 1 97 THR H 2.220 . 2.220 2.038 1.875 2.251 0.031 13 0 "[ . 1 . 2]" 2
118 1 93 GLU O 1 97 THR N 3.130 . 3.130 2.912 2.784 3.088 . 0 0 "[ . 1 . 2]" 2
119 1 94 GLU O 1 98 LEU H 2.220 . 2.220 2.066 1.879 2.284 0.064 12 0 "[ . 1 . 2]" 2
120 1 94 GLU O 1 98 LEU N 3.130 . 3.130 2.977 2.833 3.172 0.042 12 0 "[ . 1 . 2]" 2
121 1 95 ALA O 1 99 SER H 2.220 . 2.220 1.925 1.813 2.145 . 0 0 "[ . 1 . 2]" 2
122 1 95 ALA O 1 99 SER N 3.130 . 3.130 2.856 2.717 3.010 . 0 0 "[ . 1 . 2]" 2
123 1 96 GLN O 1 100 LYS H 2.220 . 2.220 2.062 1.854 2.208 . 0 0 "[ . 1 . 2]" 2
124 1 96 GLN O 1 100 LYS N 3.130 . 3.130 3.018 2.826 3.185 0.055 17 0 "[ . 1 . 2]" 2
125 1 97 THR O 1 101 ILE H 2.220 . 2.220 2.273 2.216 2.335 0.115 20 0 "[ . 1 . 2]" 2
126 1 97 THR O 1 101 ILE N 3.130 . 3.130 3.179 3.143 3.209 0.079 10 0 "[ . 1 . 2]" 2
127 1 98 LEU O 1 102 LEU H 2.220 . 2.220 1.973 1.885 2.113 . 0 0 "[ . 1 . 2]" 2
128 1 98 LEU O 1 102 LEU N 3.130 . 3.130 2.911 2.825 3.030 . 0 0 "[ . 1 . 2]" 2
129 1 99 SER O 1 103 LEU H 2.220 . 2.220 1.955 1.857 2.091 . 0 0 "[ . 1 . 2]" 2
130 1 99 SER O 1 103 LEU N 3.130 . 3.130 2.915 2.820 3.049 . 0 0 "[ . 1 . 2]" 2
131 1 100 LYS O 1 104 LYS H 2.220 . 2.220 2.056 1.907 2.243 0.023 16 0 "[ . 1 . 2]" 2
132 1 100 LYS O 1 104 LYS N 3.130 . 3.130 2.990 2.877 3.147 0.017 19 0 "[ . 1 . 2]" 2
133 1 101 ILE O 1 105 ASP H 2.220 . 2.220 2.066 1.882 2.225 0.005 10 0 "[ . 1 . 2]" 2
134 1 101 ILE O 1 105 ASP N 3.130 . 3.130 2.986 2.847 3.111 . 0 0 "[ . 1 . 2]" 2
135 1 102 LEU O 1 106 LEU H 2.220 . 2.220 2.006 1.840 2.164 . 0 0 "[ . 1 . 2]" 2
136 1 102 LEU O 1 106 LEU N 3.130 . 3.130 2.906 2.788 3.061 . 0 0 "[ . 1 . 2]" 2
137 1 103 LEU O 1 107 LYS H 2.220 . 2.220 2.011 1.858 2.176 . 0 0 "[ . 1 . 2]" 2
138 1 103 LEU O 1 107 LYS N 3.130 . 3.130 2.984 2.839 3.156 0.026 1 0 "[ . 1 . 2]" 2
139 1 104 LYS O 1 108 GLU H 2.220 . 2.220 2.111 1.881 2.253 0.033 18 0 "[ . 1 . 2]" 2
140 1 104 LYS O 1 108 GLU N 3.130 . 3.130 2.953 2.774 3.062 . 0 0 "[ . 1 . 2]" 2
141 1 105 ASP O 1 109 THR H 2.220 . 2.220 2.163 1.953 2.354 0.134 16 0 "[ . 1 . 2]" 2
142 1 105 ASP O 1 109 THR N 3.130 . 3.130 3.032 2.856 3.150 0.020 17 0 "[ . 1 . 2]" 2
143 1 106 LEU O 1 110 GLU H 2.220 . 2.220 1.986 1.762 2.226 0.038 8 0 "[ . 1 . 2]" 2
144 1 106 LEU O 1 110 GLU N 3.130 . 3.130 2.952 2.739 3.161 0.031 13 0 "[ . 1 . 2]" 2
145 1 107 LYS O 1 111 GLN H 2.220 . 2.220 2.100 1.880 2.285 0.065 18 0 "[ . 1 . 2]" 2
146 1 107 LYS O 1 111 GLN N 3.130 . 3.130 3.042 2.814 3.215 0.085 18 0 "[ . 1 . 2]" 2
147 1 108 GLU O 1 112 LYS H 2.220 . 2.220 2.175 1.989 2.306 0.086 1 0 "[ . 1 . 2]" 2
148 1 108 GLU O 1 112 LYS N 3.130 . 3.130 3.060 2.882 3.183 0.053 7 0 "[ . 1 . 2]" 2
149 1 109 THR O 1 113 VAL H 2.220 . 2.220 1.935 1.802 2.160 . 0 0 "[ . 1 . 2]" 2
150 1 109 THR O 1 113 VAL N 3.130 . 3.130 2.891 2.762 3.128 . 0 0 "[ . 1 . 2]" 2
151 1 110 GLU O 1 114 LYS H 2.220 . 2.220 1.998 1.793 2.146 0.007 7 0 "[ . 1 . 2]" 2
152 1 110 GLU O 1 114 LYS N 3.130 . 3.130 2.961 2.774 3.112 . 0 0 "[ . 1 . 2]" 2
153 1 111 GLN O 1 115 ASP H 2.220 . 2.220 2.267 2.130 2.341 0.121 8 0 "[ . 1 . 2]" 2
154 1 111 GLN O 1 115 ASP N 3.130 . 3.130 2.890 2.778 3.019 . 0 0 "[ . 1 . 2]" 2
155 1 112 LYS O 1 116 ILE H 2.220 . 2.220 2.447 2.367 2.591 0.371 8 0 "[ . 1 . 2]" 2
156 1 112 LYS O 1 116 ILE N 3.130 . 3.130 3.157 3.034 3.201 0.071 19 0 "[ . 1 . 2]" 2
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