NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474221 |
2jn3   |
15084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jn3
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 1371
_Distance_constraint_stats_list.Viol_count 1991
_Distance_constraint_stats_list.Viol_total 7682.508
_Distance_constraint_stats_list.Viol_max 1.569
_Distance_constraint_stats_list.Viol_rms 0.0683
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.1929
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 4.020 0.350 19 0 "[ . 1 . 2]"
1 3 SER 3.974 0.474 7 0 "[ . 1 . 2]"
1 4 GLY 6.570 0.474 7 0 "[ . 1 . 2]"
1 5 THR 2.602 0.523 15 2 "[ . 1 + -2]"
1 6 TRP 6.634 0.470 4 0 "[ . 1 . 2]"
1 7 GLN 0.496 0.277 17 0 "[ . 1 . 2]"
1 8 VAL 6.506 0.588 16 3 "[ . 1 -+ *2]"
1 9 TYR 15.635 1.569 17 4 "[ . 1 -*+ *2]"
1 10 ALA 1.546 0.336 17 0 "[ . 1 . 2]"
1 11 GLN 4.843 0.524 16 1 "[ . 1 .+ 2]"
1 12 GLU 5.004 0.438 19 0 "[ . 1 . 2]"
1 13 ASN 0.996 0.294 15 0 "[ . 1 . 2]"
1 14 TYR 4.606 1.031 17 2 "[ - . 1 . + 2]"
1 15 GLU 16.592 0.725 16 7 "[ . * 1 * *+ **-]"
1 16 GLU 8.598 0.471 16 0 "[ . 1 . 2]"
1 17 PHE 12.891 0.610 18 3 "[ .* 1- . + 2]"
1 18 LEU 13.469 0.725 16 6 "[ . * 1 * *+ * -]"
1 19 LYS 8.098 0.471 16 0 "[ . 1 . 2]"
1 20 ALA 8.291 0.610 18 3 "[ .* 1- . + 2]"
1 21 LEU 10.237 0.660 10 1 "[ . + . 2]"
1 22 ALA 7.120 0.317 1 0 "[ . 1 . 2]"
1 23 LEU 8.975 0.660 10 1 "[ . + . 2]"
1 24 PRO 1.769 0.298 10 0 "[ . 1 . 2]"
1 25 GLU 0.937 0.408 15 0 "[ . 1 . 2]"
1 26 ASP 3.809 0.410 9 0 "[ . 1 . 2]"
1 27 LEU 1.282 0.206 3 0 "[ . 1 . 2]"
1 28 ILE 9.083 0.408 15 0 "[ . 1 . 2]"
1 29 LYS 10.783 0.476 10 0 "[ . 1 . 2]"
1 30 MET 4.460 0.327 4 0 "[ . 1 . 2]"
1 31 ALA 0.509 0.155 18 0 "[ . 1 . 2]"
1 32 ARG 17.453 1.031 17 4 "[ * . 1 . +*-2]"
1 33 ASP 5.244 0.367 20 0 "[ . 1 . 2]"
1 34 ILE 1.115 0.317 19 0 "[ . 1 . 2]"
1 35 LYS 8.577 0.367 20 0 "[ . 1 . 2]"
1 36 PRO 18.305 0.432 20 0 "[ . 1 . 2]"
1 37 ILE 2.717 0.334 16 0 "[ . 1 . 2]"
1 38 VAL 12.408 0.618 16 3 "[ *. 1 .+ -]"
1 39 GLU 0.640 0.233 4 0 "[ . 1 . 2]"
1 40 ILE 8.605 0.618 16 3 "[ *. 1 .+ -]"
1 41 GLN 5.443 0.390 3 0 "[ . 1 . 2]"
1 42 GLN 0.776 0.274 8 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 7.011 0.271 1 0 "[ . 1 . 2]"
1 45 ASP 4.051 0.225 6 0 "[ . 1 . 2]"
1 46 ASP 4.348 0.271 1 0 "[ . 1 . 2]"
1 47 PHE 9.384 0.550 1 1 "[+ . 1 . 2]"
1 48 VAL 5.239 0.390 3 0 "[ . 1 . 2]"
1 49 VAL 0.643 0.233 4 0 "[ . 1 . 2]"
1 50 THR 1.314 0.361 1 0 "[ . 1 . 2]"
1 51 SER 0.763 0.387 7 0 "[ . 1 . 2]"
1 52 LYS 4.409 0.387 7 0 "[ . 1 . 2]"
1 53 THR 7.033 0.351 1 0 "[ . 1 . 2]"
1 54 PRO 8.114 0.590 16 4 "[ . 1 **-+ 2]"
1 55 ARG 1.461 0.409 7 0 "[ . 1 . 2]"
1 56 GLN 10.411 0.590 16 4 "[ . 1 **-+ 2]"
1 57 THR 3.140 0.179 7 0 "[ . 1 . 2]"
1 58 VAL 3.899 0.408 3 0 "[ . 1 . 2]"
1 59 THR 4.901 0.288 7 0 "[ . 1 . 2]"
1 60 ASN 6.420 0.331 1 0 "[ . 1 . 2]"
1 61 SER 2.359 0.422 12 0 "[ . 1 . 2]"
1 62 PHE 6.952 0.331 1 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 8.367 0.378 4 0 "[ . 1 . 2]"
1 65 GLY 7.108 0.428 11 0 "[ . 1 . 2]"
1 66 LYS 2.280 0.309 14 0 "[ . 1 . 2]"
1 67 GLU 12.070 0.367 3 0 "[ . 1 . 2]"
1 68 ALA 6.338 0.281 10 0 "[ . 1 . 2]"
1 69 ASP 9.942 0.367 3 0 "[ . 1 . 2]"
1 70 ILE 8.547 0.422 12 0 "[ . 1 . 2]"
1 71 THR 0.280 0.280 12 0 "[ . 1 . 2]"
1 72 THR 8.516 0.462 18 0 "[ . 1 . 2]"
1 73 MET 4.314 0.408 3 0 "[ . 1 . 2]"
1 74 ASP 8.193 0.461 14 0 "[ . 1 . 2]"
1 75 GLY 6.415 0.720 14 2 "[ - . 1 +. 2]"
1 76 LYS 12.074 0.720 14 2 "[ - . 1 +. 2]"
1 77 LYS 3.756 0.303 14 0 "[ . 1 . 2]"
1 78 LEU 18.356 0.483 2 0 "[ . 1 . 2]"
1 79 LYS 26.893 0.483 2 0 "[ . 1 . 2]"
1 80 CYS 1.876 0.252 14 0 "[ . 1 . 2]"
1 81 THR 13.610 0.474 6 0 "[ . 1 . 2]"
1 82 VAL 7.127 1.272 11 6 "[ .- 1+* .** *2]"
1 83 HIS 23.623 1.272 11 6 "[ .* 1+* .** *2]"
1 84 LEU 1.169 0.148 10 0 "[ . 1 . 2]"
1 85 ALA 7.847 0.882 6 6 "[ .+ 1** .*- *2]"
1 86 ASN 0.406 0.059 11 0 "[ . 1 . 2]"
1 87 GLY 0.166 0.060 7 0 "[ . 1 . 2]"
1 88 LYS 0.508 0.299 17 0 "[ . 1 . 2]"
1 89 LEU 11.614 0.550 1 1 "[+ . 1 . 2]"
1 90 VAL 9.683 0.675 6 5 "[ .+ 1- .** *2]"
1 91 THR 5.549 0.387 4 0 "[ . 1 . 2]"
1 92 LYS 18.385 0.408 9 0 "[ . 1 . 2]"
1 93 SER 23.799 1.020 18 20 [***********-*****+**]
1 94 GLU 7.149 0.408 9 0 "[ . 1 . 2]"
1 95 LYS 23.194 1.020 18 20 [***********-*****+**]
1 96 PHE 25.130 0.571 8 2 "[ -. + 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 HIS 12.840 0.571 8 2 "[ -. + 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLN 0.297 0.250 13 0 "[ . 1 . 2]"
1 101 GLU 3.524 0.348 7 0 "[ . 1 . 2]"
1 102 VAL 2.537 0.285 12 0 "[ . 1 . 2]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.634 0.140 4 0 "[ . 1 . 2]"
1 106 GLU 0.058 0.033 14 0 "[ . 1 . 2]"
1 107 MET 6.372 0.371 17 0 "[ . 1 . 2]"
1 108 VAL 0.744 0.348 7 0 "[ . 1 . 2]"
1 109 GLU 4.155 0.250 13 0 "[ . 1 . 2]"
1 110 THR 1.911 0.331 9 0 "[ . 1 . 2]"
1 111 ILE 0.126 0.079 9 0 "[ . 1 . 2]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 6.301 0.443 1 0 "[ . 1 . 2]"
1 114 GLY 0.915 0.114 5 0 "[ . 1 . 2]"
1 115 GLY 1.172 0.105 9 0 "[ . 1 . 2]"
1 116 VAL 1.892 0.121 5 0 "[ . 1 . 2]"
1 117 THR 3.357 0.268 2 0 "[ . 1 . 2]"
1 118 LEU 1.422 0.294 15 0 "[ . 1 . 2]"
1 119 ILE 1.573 0.362 16 0 "[ . 1 . 2]"
1 120 ARG 0.350 0.191 15 0 "[ . 1 . 2]"
1 121 ARG 14.566 1.569 17 4 "[ . 1 **+ -2]"
1 122 SER 4.721 0.356 13 0 "[ . 1 . 2]"
1 123 LYS 4.654 0.634 17 3 "[ . 1 - + *2]"
1 124 ARG 2.695 0.523 15 2 "[ . 1 + -2]"
1 125 VAL 1.318 0.277 17 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 50 THR MG 1 52 LYS QE 5.500 . 6.000 2.630 1.780 4.830 0.020 1 0 "[ . 1 . 2]" 1
2 1 17 PHE QE 1 113 PHE HB3 5.500 . 6.000 2.792 2.101 3.306 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 PHE HA 5.500 . 6.000 4.481 4.408 4.742 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 2 PHE H 5.500 . 6.000 2.559 2.211 3.593 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE HB2 1 3 SER HA 5.500 . 6.000 4.495 4.326 5.005 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER HB2 1 42 GLN H 5.500 . 6.000 3.719 3.192 4.455 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY HA2 1 5 THR H 4.000 . 4.500 2.621 2.433 2.821 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLY HA3 1 6 TRP HE1 5.500 . 6.000 3.883 3.428 4.124 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLY HA2 1 6 TRP HE1 5.500 . 6.000 5.180 4.733 5.485 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR MG 1 6 TRP HA 5.500 . 6.000 4.352 3.777 5.576 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR HB 1 125 VAL HB 5.500 . 6.000 4.173 2.700 5.976 . 0 0 "[ . 1 . 2]" 1
12 1 6 TRP HA 1 7 GLN HA 5.500 . 6.000 4.493 4.476 4.505 . 0 0 "[ . 1 . 2]" 1
13 1 6 TRP HA 1 7 GLN HB3 5.500 . 6.000 4.669 4.444 5.659 . 0 0 "[ . 1 . 2]" 1
14 1 6 TRP HA 1 7 GLN HB2 5.500 . 6.000 4.353 4.112 4.458 . 0 0 "[ . 1 . 2]" 1
15 1 6 TRP HA 1 7 GLN H 4.000 . 4.500 2.254 2.215 2.292 . 0 0 "[ . 1 . 2]" 1
16 1 6 TRP HA 1 8 VAL H 5.500 . 6.000 5.992 5.830 6.291 0.291 15 0 "[ . 1 . 2]" 1
17 1 8 VAL MG1 1 9 TYR HA 5.500 . 6.000 3.892 3.664 5.545 . 0 0 "[ . 1 . 2]" 1
18 1 9 TYR QD 1 10 ALA HA 5.500 . 6.000 4.062 3.281 5.642 . 0 0 "[ . 1 . 2]" 1
19 1 9 TYR H 1 10 ALA HA 5.500 . 6.000 4.688 4.479 5.151 . 0 0 "[ . 1 . 2]" 1
20 1 9 TYR QE 1 10 ALA MB 5.500 . 6.000 2.934 1.911 6.031 0.031 17 0 "[ . 1 . 2]" 1
21 1 9 TYR HA 1 10 ALA H 5.500 . 6.000 3.488 3.299 3.592 . 0 0 "[ . 1 . 2]" 1
22 1 10 ALA HA 1 11 GLN HB2 5.500 . 6.000 5.081 4.301 5.705 . 0 0 "[ . 1 . 2]" 1
23 1 10 ALA HA 1 11 GLN H 5.500 . 6.000 2.273 2.211 2.497 . 0 0 "[ . 1 . 2]" 1
24 1 10 ALA MB 1 11 GLN H 5.500 . 6.000 3.058 2.590 3.365 . 0 0 "[ . 1 . 2]" 1
25 1 12 GLU HG2 1 119 ILE QG 5.500 . 6.000 5.837 3.670 6.029 0.029 13 0 "[ . 1 . 2]" 1
26 1 10 ALA MB 1 12 GLU H 5.500 . 6.000 5.015 4.177 5.893 . 0 0 "[ . 1 . 2]" 1
27 1 11 GLN HB2 1 12 GLU H 5.500 . 6.000 3.809 2.622 4.441 . 0 0 "[ . 1 . 2]" 1
28 1 109 GLU HA 1 110 THR HA 5.500 . 6.000 4.493 4.488 4.511 . 0 0 "[ . 1 . 2]" 1
29 1 12 GLU HA 1 13 ASN HA 5.500 . 6.000 4.550 4.514 4.579 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLN HB2 1 14 TYR HB3 5.500 . 6.000 4.215 3.412 5.364 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLN HB2 1 14 TYR HB2 5.500 . 6.000 2.723 1.788 3.943 0.012 19 0 "[ . 1 . 2]" 1
32 1 12 GLU HG2 1 14 TYR H 5.500 . 6.000 5.143 4.772 6.184 0.184 20 0 "[ . 1 . 2]" 1
33 1 15 GLU HB2 1 32 ARG QD 5.500 . 6.000 6.288 6.014 6.570 0.570 18 2 "[ . 1 . +-2]" 1
34 1 14 TYR H 1 15 GLU HA 5.500 . 6.000 5.545 5.387 5.900 . 0 0 "[ . 1 . 2]" 1
35 1 15 GLU HB3 1 19 LYS H 5.500 . 6.000 5.155 4.817 5.924 . 0 0 "[ . 1 . 2]" 1
36 1 14 TYR HB3 1 15 GLU H 5.500 . 6.000 2.244 1.872 2.484 . 0 0 "[ . 1 . 2]" 1
37 1 14 TYR HB2 1 15 GLU H 5.500 . 6.000 3.589 2.983 3.865 . 0 0 "[ . 1 . 2]" 1
38 1 14 TYR HA 1 17 PHE HB3 5.500 . 6.000 3.148 2.880 3.460 . 0 0 "[ . 1 . 2]" 1
39 1 15 GLU HA 1 17 PHE H 5.500 . 6.000 4.857 4.441 5.079 . 0 0 "[ . 1 . 2]" 1
40 1 14 TYR QD 1 18 LEU QD 5.500 . 6.000 3.195 2.595 4.759 . 0 0 "[ . 1 . 2]" 1
41 1 14 TYR QE 1 18 LEU QD . . 4.500 2.774 1.721 4.280 0.079 15 0 "[ . 1 . 2]" 1
42 1 15 GLU HA 1 18 LEU HB3 5.500 . 6.000 4.043 3.635 4.375 . 0 0 "[ . 1 . 2]" 1
43 1 15 GLU HA 1 18 LEU QD 5.500 . 6.000 3.252 2.218 4.457 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLU HA 1 18 LEU HG 5.500 . 6.000 4.601 3.739 5.534 . 0 0 "[ . 1 . 2]" 1
45 1 15 GLU HB3 1 18 LEU HB2 5.500 . 6.000 5.054 4.478 5.521 . 0 0 "[ . 1 . 2]" 1
46 1 19 LYS HA 1 23 LEU H 5.500 . 6.000 4.264 4.046 4.630 . 0 0 "[ . 1 . 2]" 1
47 1 17 PHE H 1 19 LYS HD2 5.500 . 6.000 5.762 5.270 6.261 0.261 11 0 "[ . 1 . 2]" 1
48 1 19 LYS HA 1 28 ILE MD 4.000 . 4.500 2.969 2.605 3.279 . 0 0 "[ . 1 . 2]" 1
49 1 18 LEU HB2 1 19 LYS H 5.500 . 6.000 2.670 2.483 3.038 . 0 0 "[ . 1 . 2]" 1
50 1 18 LEU HB3 1 19 LYS H 5.500 . 6.000 3.147 2.885 3.407 . 0 0 "[ . 1 . 2]" 1
51 1 17 PHE HA 1 20 ALA MB 5.500 . 6.000 3.037 2.783 3.361 . 0 0 "[ . 1 . 2]" 1
52 1 20 ALA MB 1 113 PHE HD1 . . 3.300 2.133 1.949 2.362 . 0 0 "[ . 1 . 2]" 1
53 1 19 LYS HA 1 20 ALA HA 5.500 . 6.000 4.813 4.783 4.831 . 0 0 "[ . 1 . 2]" 1
54 1 19 LYS HB3 1 20 ALA HA 5.500 . 6.000 4.292 4.054 4.460 . 0 0 "[ . 1 . 2]" 1
55 1 19 LYS H 1 20 ALA MB 5.500 . 6.000 4.391 4.236 4.536 . 0 0 "[ . 1 . 2]" 1
56 1 19 LYS HA 1 20 ALA H 5.500 . 6.000 3.563 3.542 3.578 . 0 0 "[ . 1 . 2]" 1
57 1 19 LYS HB2 1 20 ALA H 5.500 . 6.000 3.054 2.535 3.949 . 0 0 "[ . 1 . 2]" 1
58 1 17 PHE QE 1 21 LEU QD 5.500 . 6.000 2.708 2.238 3.312 . 0 0 "[ . 1 . 2]" 1
59 1 17 PHE QD 1 21 LEU QD 5.500 . 6.000 3.507 3.169 3.898 . 0 0 "[ . 1 . 2]" 1
60 1 18 LEU HA 1 21 LEU HB3 5.500 . 6.000 3.608 3.251 4.013 . 0 0 "[ . 1 . 2]" 1
61 1 18 LEU HA 1 21 LEU HB2 5.500 . 6.000 2.415 2.226 2.579 . 0 0 "[ . 1 . 2]" 1
62 1 18 LEU HA 1 21 LEU QD 5.500 . 6.000 2.858 2.517 3.126 . 0 0 "[ . 1 . 2]" 1
63 1 19 LYS HB2 1 21 LEU H 5.500 . 6.000 5.185 4.838 5.910 . 0 0 "[ . 1 . 2]" 1
64 1 20 ALA HA 1 21 LEU H 5.500 . 6.000 3.534 3.505 3.572 . 0 0 "[ . 1 . 2]" 1
65 1 21 LEU HB3 1 22 ALA H 5.500 . 6.000 3.194 3.054 3.370 . 0 0 "[ . 1 . 2]" 1
66 1 21 LEU HB2 1 22 ALA H 5.500 . 6.000 3.545 3.387 3.714 . 0 0 "[ . 1 . 2]" 1
67 1 18 LEU HA 1 23 LEU MD1 5.500 . 6.000 3.411 2.818 4.427 . 0 0 "[ . 1 . 2]" 1
68 1 18 LEU QD 1 23 LEU MD1 5.500 . 6.000 1.869 1.574 2.682 0.226 8 0 "[ . 1 . 2]" 1
69 1 18 LEU H 1 23 LEU MD1 5.500 . 6.000 5.519 5.128 6.468 0.468 7 0 "[ . 1 . 2]" 1
70 1 19 LYS HA 1 23 LEU HB2 5.500 . 6.000 4.708 4.133 5.338 . 0 0 "[ . 1 . 2]" 1
71 1 20 ALA HA 1 113 PHE HD1 5.500 . 6.000 4.399 3.996 4.689 . 0 0 "[ . 1 . 2]" 1
72 1 21 LEU HB3 1 23 LEU MD1 4.000 . 4.500 2.725 2.015 3.705 . 0 0 "[ . 1 . 2]" 1
73 1 21 LEU HB2 1 23 LEU MD1 5.500 . 6.000 3.350 2.582 4.459 . 0 0 "[ . 1 . 2]" 1
74 1 21 LEU QD 1 23 LEU MD2 5.500 . 6.000 2.987 2.507 3.514 . 0 0 "[ . 1 . 2]" 1
75 1 21 LEU HG 1 23 LEU MD2 5.500 . 6.000 4.541 3.996 5.600 . 0 0 "[ . 1 . 2]" 1
76 1 21 LEU HB3 1 23 LEU HG 5.500 . 6.000 2.152 1.895 2.739 . 0 0 "[ . 1 . 2]" 1
77 1 21 LEU HB2 1 23 LEU HG 5.500 . 6.000 3.756 3.396 4.385 . 0 0 "[ . 1 . 2]" 1
78 1 21 LEU QD 1 23 LEU HG 5.500 . 6.000 2.504 2.220 3.083 . 0 0 "[ . 1 . 2]" 1
79 1 21 LEU HB3 1 23 LEU H 5.500 . 6.000 2.822 2.544 3.352 . 0 0 "[ . 1 . 2]" 1
80 1 21 LEU HB2 1 23 LEU H 5.500 . 6.000 3.990 3.710 4.194 . 0 0 "[ . 1 . 2]" 1
81 1 22 ALA MB 1 23 LEU H 5.500 . 6.000 3.568 3.465 3.692 . 0 0 "[ . 1 . 2]" 1
82 1 23 LEU HB3 1 24 PRO QG 5.500 . 6.000 3.630 3.534 3.734 . 0 0 "[ . 1 . 2]" 1
83 1 23 LEU HA 1 24 PRO HD3 2.800 . 3.300 2.288 2.258 2.328 . 0 0 "[ . 1 . 2]" 1
84 1 23 LEU HB3 1 24 PRO HD3 4.000 . 4.500 3.316 3.158 3.484 . 0 0 "[ . 1 . 2]" 1
85 1 23 LEU MD2 1 24 PRO HD3 5.500 . 6.000 2.397 1.772 2.762 0.028 10 0 "[ . 1 . 2]" 1
86 1 24 PRO HD3 1 27 LEU QB 5.500 . 6.000 3.893 3.763 4.083 . 0 0 "[ . 1 . 2]" 1
87 1 23 LEU HA 1 24 PRO HD2 4.000 . 4.500 2.627 2.572 2.695 . 0 0 "[ . 1 . 2]" 1
88 1 23 LEU HB2 1 24 PRO HD2 4.000 . 4.500 3.570 3.421 3.685 . 0 0 "[ . 1 . 2]" 1
89 1 23 LEU MD2 1 24 PRO HD2 5.500 . 6.000 1.874 1.502 2.363 0.298 10 0 "[ . 1 . 2]" 1
90 1 24 PRO HD2 1 27 LEU MD2 5.500 . 6.000 2.206 1.908 2.741 . 0 0 "[ . 1 . 2]" 1
91 1 24 PRO HD3 1 27 LEU MD2 5.500 . 6.000 3.401 3.155 3.766 . 0 0 "[ . 1 . 2]" 1
92 1 24 PRO HD2 1 27 LEU QB 5.500 . 6.000 2.615 2.448 2.858 . 0 0 "[ . 1 . 2]" 1
93 1 24 PRO QG 1 27 LEU MD2 5.500 . 6.000 2.472 2.324 2.738 . 0 0 "[ . 1 . 2]" 1
94 1 24 PRO QG 1 27 LEU HB3 5.500 . 6.000 1.805 1.594 1.956 0.206 3 0 "[ . 1 . 2]" 1
95 1 24 PRO QG 1 27 LEU HB2 5.500 . 6.000 2.084 1.876 2.404 . 0 0 "[ . 1 . 2]" 1
96 1 24 PRO HG2 1 25 GLU H 5.500 . 6.000 4.911 4.856 4.974 . 0 0 "[ . 1 . 2]" 1
97 1 24 PRO HB2 1 26 ASP H 5.500 . 6.000 2.953 2.587 3.183 . 0 0 "[ . 1 . 2]" 1
98 1 25 GLU HA 1 26 ASP HA 5.500 . 6.000 4.905 4.847 4.953 . 0 0 "[ . 1 . 2]" 1
99 1 23 LEU HB3 1 27 LEU HB2 5.500 . 6.000 4.865 4.441 5.162 . 0 0 "[ . 1 . 2]" 1
100 1 23 LEU HB3 1 27 LEU MD2 4.000 . 4.500 2.792 2.091 3.484 . 0 0 "[ . 1 . 2]" 1
101 1 23 LEU MD1 1 27 LEU HG 5.500 . 6.000 3.691 2.727 4.124 . 0 0 "[ . 1 . 2]" 1
102 1 24 PRO HD3 1 27 LEU HB3 5.500 . 6.000 4.116 3.963 4.270 . 0 0 "[ . 1 . 2]" 1
103 1 24 PRO HG2 1 27 LEU MD1 5.500 . 6.000 3.918 3.668 4.125 . 0 0 "[ . 1 . 2]" 1
104 1 24 PRO HB3 1 27 LEU H 5.500 . 6.000 4.449 4.318 4.532 . 0 0 "[ . 1 . 2]" 1
105 1 24 PRO HB2 1 27 LEU H 5.500 . 6.000 2.801 2.711 2.910 . 0 0 "[ . 1 . 2]" 1
106 1 24 PRO HG2 1 27 LEU H 5.500 . 6.000 2.714 2.386 2.849 . 0 0 "[ . 1 . 2]" 1
107 1 26 ASP HB2 1 27 LEU HA 5.500 . 6.000 5.092 4.568 5.710 . 0 0 "[ . 1 . 2]" 1
108 1 15 GLU HB3 1 28 ILE MG 5.500 . 6.000 4.482 3.764 5.673 . 0 0 "[ . 1 . 2]" 1
109 1 18 LEU QD 1 28 ILE HA 5.500 . 6.000 3.354 1.725 4.870 0.075 13 0 "[ . 1 . 2]" 1
110 1 18 LEU HB2 1 28 ILE MD 5.500 . 6.000 4.610 3.750 5.297 . 0 0 "[ . 1 . 2]" 1
111 1 18 LEU HB3 1 28 ILE MG 5.500 . 6.000 3.328 2.162 4.637 . 0 0 "[ . 1 . 2]" 1
112 1 18 LEU QD 1 28 ILE MG 5.500 . 6.000 3.084 1.745 4.705 0.055 15 0 "[ . 1 . 2]" 1
113 1 23 LEU HB3 1 28 ILE MD 5.500 . 6.000 3.374 2.687 4.159 . 0 0 "[ . 1 . 2]" 1
114 1 23 LEU HB2 1 28 ILE MD 5.500 . 6.000 2.715 2.246 3.432 . 0 0 "[ . 1 . 2]" 1
115 1 23 LEU HB3 1 28 ILE H 5.500 . 6.000 4.472 3.458 4.890 . 0 0 "[ . 1 . 2]" 1
116 1 25 GLU HA 1 28 ILE MD 5.500 . 6.000 2.184 1.754 2.583 0.046 8 0 "[ . 1 . 2]" 1
117 1 25 GLU HA 1 28 ILE MG 5.500 . 6.000 3.681 3.421 3.806 . 0 0 "[ . 1 . 2]" 1
118 1 25 GLU HG2 1 28 ILE MG 5.500 . 6.000 5.192 4.563 6.408 0.408 15 0 "[ . 1 . 2]" 1
119 1 27 LEU HA 1 28 ILE H 4.000 . 4.500 3.515 3.467 3.580 . 0 0 "[ . 1 . 2]" 1
120 1 27 LEU HB2 1 28 ILE H 5.500 . 6.000 4.046 3.796 4.156 . 0 0 "[ . 1 . 2]" 1
121 1 28 ILE MD 1 29 LYS H 5.500 . 6.000 4.350 4.041 4.524 . 0 0 "[ . 1 . 2]" 1
122 1 28 ILE MG 1 29 LYS H 5.500 . 6.000 3.222 3.005 3.384 . 0 0 "[ . 1 . 2]" 1
123 1 27 LEU HA 1 30 MET HB3 5.500 . 6.000 3.407 2.548 4.082 . 0 0 "[ . 1 . 2]" 1
124 1 27 LEU MD1 1 30 MET HB3 5.500 . 6.000 3.729 2.743 4.469 . 0 0 "[ . 1 . 2]" 1
125 1 27 LEU HG 1 30 MET HB3 5.500 . 6.000 5.432 4.497 6.011 0.011 6 0 "[ . 1 . 2]" 1
126 1 27 LEU HA 1 30 MET HB2 5.500 . 6.000 3.155 2.390 4.194 . 0 0 "[ . 1 . 2]" 1
127 1 27 LEU HA 1 30 MET ME 5.500 . 6.000 4.390 2.601 5.312 . 0 0 "[ . 1 . 2]" 1
128 1 27 LEU HA 1 30 MET H 5.500 . 6.000 3.550 3.420 3.768 . 0 0 "[ . 1 . 2]" 1
129 1 27 LEU MD1 1 30 MET H 5.500 . 6.000 4.613 4.055 4.989 . 0 0 "[ . 1 . 2]" 1
130 1 29 LYS HB2 1 30 MET HA 5.500 . 6.000 4.472 4.390 4.709 . 0 0 "[ . 1 . 2]" 1
131 1 29 LYS HA 1 30 MET H 5.500 . 6.000 3.510 3.474 3.539 . 0 0 "[ . 1 . 2]" 1
132 1 18 LEU QD 1 31 ALA MB 5.500 . 6.000 3.407 2.294 4.337 . 0 0 "[ . 1 . 2]" 1
133 1 28 ILE HA 1 31 ALA MB 5.500 . 6.000 2.932 2.569 3.304 . 0 0 "[ . 1 . 2]" 1
134 1 30 MET HA 1 31 ALA MB 5.500 . 6.000 4.872 4.800 4.915 . 0 0 "[ . 1 . 2]" 1
135 1 30 MET H 1 31 ALA MB 5.500 . 6.000 3.943 3.746 4.107 . 0 0 "[ . 1 . 2]" 1
136 1 30 MET HA 1 31 ALA H 5.500 . 6.000 3.499 3.404 3.542 . 0 0 "[ . 1 . 2]" 1
137 1 30 MET HB3 1 31 ALA H 5.500 . 6.000 3.311 2.691 4.040 . 0 0 "[ . 1 . 2]" 1
138 1 30 MET HB2 1 31 ALA H 5.500 . 6.000 3.442 2.798 4.087 . 0 0 "[ . 1 . 2]" 1
139 1 29 LYS HA 1 32 ARG HB2 5.500 . 6.000 4.039 3.782 4.395 . 0 0 "[ . 1 . 2]" 1
140 1 29 LYS HA 1 32 ARG HD3 5.500 . 6.000 3.105 1.962 4.682 . 0 0 "[ . 1 . 2]" 1
141 1 30 MET HA 1 32 ARG HG3 5.500 . 6.000 5.316 4.295 6.313 0.313 18 0 "[ . 1 . 2]" 1
142 1 30 MET HA 1 32 ARG H 5.500 . 6.000 3.972 3.804 4.170 . 0 0 "[ . 1 . 2]" 1
143 1 31 ALA HA 1 32 ARG HA 5.500 . 6.000 4.853 4.783 4.889 . 0 0 "[ . 1 . 2]" 1
144 1 31 ALA HA 1 32 ARG H 5.500 . 6.000 3.298 3.215 3.409 . 0 0 "[ . 1 . 2]" 1
145 1 32 ARG HB2 1 33 ASP H 5.500 . 6.000 4.348 4.189 4.487 . 0 0 "[ . 1 . 2]" 1
146 1 32 ARG HG2 1 33 ASP H 5.500 . 6.000 3.446 2.792 4.075 . 0 0 "[ . 1 . 2]" 1
147 1 30 MET HB3 1 34 ILE MD 5.500 . 6.000 3.929 3.126 4.599 . 0 0 "[ . 1 . 2]" 1
148 1 33 ASP HA 1 34 ILE H 5.500 . 6.000 2.790 2.655 2.872 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR HA 1 35 LYS HB3 5.500 . 6.000 4.798 3.935 6.261 0.261 15 0 "[ . 1 . 2]" 1
150 1 33 ASP HA 1 35 LYS HA 5.500 . 6.000 6.262 6.196 6.367 0.367 20 0 "[ . 1 . 2]" 1
151 1 8 VAL MG2 1 36 PRO HD2 2.800 . 3.300 3.111 2.017 3.732 0.432 20 0 "[ . 1 . 2]" 1
152 1 34 ILE MG 1 36 PRO HD2 4.000 . 4.500 3.549 3.259 3.867 . 0 0 "[ . 1 . 2]" 1
153 1 8 VAL MG2 1 36 PRO QG 4.000 . 4.500 3.022 2.690 3.636 . 0 0 "[ . 1 . 2]" 1
154 1 8 VAL HB 1 36 PRO QG 5.500 . 6.000 4.267 3.645 5.209 . 0 0 "[ . 1 . 2]" 1
155 1 35 LYS HA 1 36 PRO HD3 5.500 . 6.000 2.692 2.619 2.767 . 0 0 "[ . 1 . 2]" 1
156 1 35 LYS HA 1 36 PRO HD2 4.000 . 4.500 2.070 2.038 2.109 . 0 0 "[ . 1 . 2]" 1
157 1 35 LYS HA 1 36 PRO QG 5.500 . 6.000 3.915 3.883 3.951 . 0 0 "[ . 1 . 2]" 1
158 1 7 GLN HA 1 37 ILE HG12 5.500 . 6.000 3.321 3.066 3.756 . 0 0 "[ . 1 . 2]" 1
159 1 7 GLN HB2 1 37 ILE HG12 5.500 . 6.000 3.675 3.120 5.313 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL H 1 37 ILE HG12 5.500 . 6.000 4.727 4.084 5.365 . 0 0 "[ . 1 . 2]" 1
161 1 27 LEU MD2 1 74 ASP HA 4.000 . 4.500 2.625 2.264 3.074 . 0 0 "[ . 1 . 2]" 1
162 1 36 PRO HA 1 53 THR HA 4.000 . 4.500 2.706 2.371 2.937 . 0 0 "[ . 1 . 2]" 1
163 1 34 ILE MG 1 36 PRO HA 5.500 . 6.000 3.500 3.381 3.744 . 0 0 "[ . 1 . 2]" 1
164 1 36 PRO HA 1 37 ILE HG13 4.000 . 4.500 3.589 3.475 3.667 . 0 0 "[ . 1 . 2]" 1
165 1 36 PRO HD2 1 37 ILE HG13 5.500 . 6.000 6.129 5.860 6.334 0.334 16 0 "[ . 1 . 2]" 1
166 1 36 PRO QG 1 37 ILE HG13 5.500 . 6.000 5.805 5.662 5.892 . 0 0 "[ . 1 . 2]" 1
167 1 36 PRO HA 1 37 ILE H 4.000 . 4.500 2.258 2.226 2.348 . 0 0 "[ . 1 . 2]" 1
168 1 36 PRO HB2 1 37 ILE H 5.500 . 6.000 3.358 3.004 3.545 . 0 0 "[ . 1 . 2]" 1
169 1 6 TRP HB3 1 38 VAL HB 5.500 . 6.000 4.182 3.850 6.054 0.054 4 0 "[ . 1 . 2]" 1
170 1 6 TRP HB2 1 38 VAL HB 5.500 . 6.000 2.840 2.538 4.515 . 0 0 "[ . 1 . 2]" 1
171 1 6 TRP HD1 1 38 VAL MG1 5.500 . 6.000 3.484 2.318 4.237 . 0 0 "[ . 1 . 2]" 1
172 1 7 GLN HA 1 38 VAL H 4.000 . 4.500 3.632 3.223 4.253 . 0 0 "[ . 1 . 2]" 1
173 1 36 PRO QG 1 38 VAL HB 5.500 . 6.000 6.335 5.653 6.426 0.426 8 0 "[ . 1 . 2]" 1
174 1 37 ILE HG13 1 38 VAL H 5.500 . 6.000 4.715 4.574 4.811 . 0 0 "[ . 1 . 2]" 1
175 1 5 THR HA 1 39 GLU HA 5.500 . 6.000 2.282 2.164 2.384 . 0 0 "[ . 1 . 2]" 1
176 1 5 THR MG 1 39 GLU HA 5.500 . 6.000 3.261 2.909 3.458 . 0 0 "[ . 1 . 2]" 1
177 1 2 PHE HB3 1 40 ILE MD 5.500 . 6.000 2.995 2.417 4.487 . 0 0 "[ . 1 . 2]" 1
178 1 2 PHE HB2 1 40 ILE MD 5.500 . 6.000 4.391 3.865 5.701 . 0 0 "[ . 1 . 2]" 1
179 1 2 PHE HB3 1 40 ILE MG 5.500 . 6.000 2.281 2.145 2.568 . 0 0 "[ . 1 . 2]" 1
180 1 2 PHE HB2 1 40 ILE MG 5.500 . 6.000 3.281 3.003 4.045 . 0 0 "[ . 1 . 2]" 1
181 1 3 SER HA 1 40 ILE MG 5.500 . 6.000 2.425 2.163 3.022 . 0 0 "[ . 1 . 2]" 1
182 1 4 GLY HA3 1 40 ILE H 5.500 . 6.000 4.847 4.780 4.969 . 0 0 "[ . 1 . 2]" 1
183 1 4 GLY HA2 1 40 ILE H 5.500 . 6.000 4.515 4.298 4.709 . 0 0 "[ . 1 . 2]" 1
184 1 6 TRP HE1 1 40 ILE MD 5.500 . 6.000 2.455 1.855 5.192 . 0 0 "[ . 1 . 2]" 1
185 1 38 VAL HB 1 40 ILE H 5.500 . 6.000 6.241 5.998 6.618 0.618 16 3 "[ *. 1 .+ -]" 1
186 1 39 GLU HA 1 40 ILE HA 4.000 . 4.500 4.498 4.487 4.532 0.032 16 0 "[ . 1 . 2]" 1
187 1 39 GLU HA 1 40 ILE MD 5.500 . 6.000 4.669 4.141 4.894 . 0 0 "[ . 1 . 2]" 1
188 1 40 ILE MG 1 41 GLN HA 5.500 . 6.000 3.743 3.677 3.800 . 0 0 "[ . 1 . 2]" 1
189 1 41 GLN HB3 1 48 VAL MG1 5.500 . 6.000 3.091 2.834 3.853 . 0 0 "[ . 1 . 2]" 1
190 1 40 ILE HA 1 41 GLN HB2 5.500 . 6.000 4.426 4.071 4.537 . 0 0 "[ . 1 . 2]" 1
191 1 41 GLN HB2 1 48 VAL MG1 5.500 . 6.000 3.974 2.944 4.336 . 0 0 "[ . 1 . 2]" 1
192 1 41 GLN QG 1 48 VAL MG2 5.500 . 6.000 3.872 3.533 4.853 . 0 0 "[ . 1 . 2]" 1
193 1 40 ILE MG 1 41 GLN H 5.500 . 6.000 2.709 2.453 2.892 . 0 0 "[ . 1 . 2]" 1
194 1 40 ILE HA 1 42 GLN HA 6.000 . 6.500 6.214 6.129 6.268 . 0 0 "[ . 1 . 2]" 1
195 1 41 GLN H 1 42 GLN HA 5.500 . 6.000 4.422 4.350 4.544 . 0 0 "[ . 1 . 2]" 1
196 1 41 GLN HA 1 42 GLN HB2 5.500 . 6.000 5.324 4.875 5.943 . 0 0 "[ . 1 . 2]" 1
197 1 41 GLN HA 1 42 GLN H 4.000 . 4.500 2.525 2.436 2.617 . 0 0 "[ . 1 . 2]" 1
198 1 41 GLN HB3 1 42 GLN H 5.500 . 6.000 4.433 4.319 4.479 . 0 0 "[ . 1 . 2]" 1
199 1 41 GLN HB2 1 42 GLN H 5.500 . 6.000 4.671 4.551 4.685 . 0 0 "[ . 1 . 2]" 1
200 1 41 GLN HG2 1 42 GLN H 5.500 . 6.000 4.425 4.171 5.612 . 0 0 "[ . 1 . 2]" 1
201 1 3 SER HA 1 41 GLN HA 5.500 . 6.000 3.269 2.717 3.455 . 0 0 "[ . 1 . 2]" 1
202 1 42 GLN HG3 1 44 GLY H 5.500 . 6.000 3.863 3.273 4.606 . 0 0 "[ . 1 . 2]" 1
203 1 43 LYS HA 1 44 GLY HA3 5.500 . 6.000 4.514 4.490 4.548 . 0 0 "[ . 1 . 2]" 1
204 1 43 LYS HA 1 44 GLY HA2 5.500 . 6.000 4.597 4.565 4.625 . 0 0 "[ . 1 . 2]" 1
205 1 43 LYS HA 1 44 GLY H 5.500 . 6.000 2.827 2.756 2.946 . 0 0 "[ . 1 . 2]" 1
206 1 43 LYS HB2 1 45 ASP H 5.500 . 6.000 5.417 5.242 5.873 . 0 0 "[ . 1 . 2]" 1
207 1 43 LYS HA 1 46 ASP H 5.500 . 6.000 5.584 5.472 5.709 . 0 0 "[ . 1 . 2]" 1
208 1 45 ASP HA 1 46 ASP H 5.500 . 6.000 3.349 3.293 3.398 . 0 0 "[ . 1 . 2]" 1
209 1 45 ASP QB 1 46 ASP H 5.500 . 6.000 3.339 3.160 3.860 . 0 0 "[ . 1 . 2]" 1
210 1 40 ILE MG 1 47 PHE QD 5.500 . 6.000 3.081 2.834 3.424 . 0 0 "[ . 1 . 2]" 1
211 1 42 GLN HA 1 47 PHE HA 4.000 . 4.500 2.313 2.072 2.462 . 0 0 "[ . 1 . 2]" 1
212 1 43 LYS H 1 47 PHE HA 5.500 . 6.000 3.996 3.819 4.158 . 0 0 "[ . 1 . 2]" 1
213 1 45 ASP HA 1 64 LEU HG 5.500 . 6.000 4.971 4.569 5.627 . 0 0 "[ . 1 . 2]" 1
214 1 45 ASP QB 1 64 LEU HG 5.500 . 6.000 5.311 4.996 5.607 . 0 0 "[ . 1 . 2]" 1
215 1 45 ASP QB 1 64 LEU HB2 5.500 . 6.000 3.246 2.758 4.302 . 0 0 "[ . 1 . 2]" 1
216 1 45 ASP QB 1 64 LEU HB3 4.000 . 4.500 4.257 2.883 4.725 0.225 6 0 "[ . 1 . 2]" 1
217 1 45 ASP HA 1 47 PHE QD 5.500 . 6.000 4.502 4.199 5.601 . 0 0 "[ . 1 . 2]" 1
218 1 45 ASP HA 1 47 PHE QE 5.500 . 6.000 4.076 2.741 5.625 . 0 0 "[ . 1 . 2]" 1
219 1 46 ASP HA 1 47 PHE HA 4.000 . 4.500 4.516 4.491 4.542 0.042 6 0 "[ . 1 . 2]" 1
220 1 46 ASP HA 1 47 PHE QB 5.500 . 6.000 3.965 3.862 4.273 . 0 0 "[ . 1 . 2]" 1
221 1 46 ASP HA 1 48 VAL MG2 5.500 . 6.000 5.189 5.041 5.466 . 0 0 "[ . 1 . 2]" 1
222 1 47 PHE HA 1 48 VAL HB 5.500 . 6.000 4.517 4.462 4.547 . 0 0 "[ . 1 . 2]" 1
223 1 47 PHE QB 1 48 VAL H . . 3.300 3.252 2.919 3.398 0.098 17 0 "[ . 1 . 2]" 1
224 1 47 PHE QB 1 49 VAL HA 5.500 . 6.000 5.618 5.368 5.923 . 0 0 "[ . 1 . 2]" 1
225 1 47 PHE QB 1 49 VAL QG 5.500 . 6.000 3.106 2.899 4.308 . 0 0 "[ . 1 . 2]" 1
226 1 48 VAL H 1 49 VAL QG 5.500 . 6.000 3.704 3.510 5.076 . 0 0 "[ . 1 . 2]" 1
227 1 39 GLU HB3 1 50 THR HB 5.500 . 6.000 2.432 2.192 2.549 . 0 0 "[ . 1 . 2]" 1
228 1 48 VAL MG1 1 50 THR HA 5.500 . 6.000 4.931 4.750 5.028 . 0 0 "[ . 1 . 2]" 1
229 1 49 VAL HA 1 50 THR HA 4.000 . 4.500 4.497 4.491 4.507 0.007 6 0 "[ . 1 . 2]" 1
230 1 49 VAL HA 1 50 THR HB 5.500 . 6.000 4.507 4.447 4.589 . 0 0 "[ . 1 . 2]" 1
231 1 51 SER HA 1 73 MET ME 5.500 . 6.000 4.908 4.345 5.354 . 0 0 "[ . 1 . 2]" 1
232 1 49 VAL QG 1 51 SER HA 5.500 . 6.000 4.404 4.192 5.508 . 0 0 "[ . 1 . 2]" 1
233 1 51 SER HB2 1 73 MET ME 4.000 . 4.500 3.644 3.117 4.135 . 0 0 "[ . 1 . 2]" 1
234 1 50 THR HA 1 51 SER HB2 5.500 . 6.000 4.527 4.284 4.627 . 0 0 "[ . 1 . 2]" 1
235 1 50 THR MG 1 52 LYS HB3 5.500 . 6.000 4.831 3.378 5.120 . 0 0 "[ . 1 . 2]" 1
236 1 50 THR MG 1 52 LYS HB2 5.500 . 6.000 4.664 4.489 4.906 . 0 0 "[ . 1 . 2]" 1
237 1 50 THR MG 1 52 LYS HE3 5.500 . 6.000 3.287 1.823 6.058 0.058 7 0 "[ . 1 . 2]" 1
238 1 50 THR MG 1 52 LYS HG3 5.500 . 6.000 2.823 2.376 5.680 . 0 0 "[ . 1 . 2]" 1
239 1 50 THR MG 1 52 LYS HG2 4.000 . 4.500 3.286 3.017 4.444 . 0 0 "[ . 1 . 2]" 1
240 1 51 SER HA 1 52 LYS HB3 5.500 . 6.000 5.528 4.441 5.677 . 0 0 "[ . 1 . 2]" 1
241 1 51 SER HB3 1 52 LYS HB2 5.500 . 6.000 5.792 5.647 6.387 0.387 7 0 "[ . 1 . 2]" 1
242 1 51 SER HB2 1 58 VAL HB 5.500 . 6.000 3.244 2.995 4.339 . 0 0 "[ . 1 . 2]" 1
243 1 51 SER HB3 1 52 LYS H 5.500 . 6.000 3.303 3.195 3.461 . 0 0 "[ . 1 . 2]" 1
244 1 51 SER HB2 1 52 LYS H 5.500 . 6.000 4.225 4.147 4.376 . 0 0 "[ . 1 . 2]" 1
245 1 34 ILE MG 1 53 THR MG 2.800 . 3.300 2.065 1.833 2.876 . 0 0 "[ . 1 . 2]" 1
246 1 34 ILE MG 1 53 THR H 5.500 . 6.000 5.696 5.267 6.170 0.170 20 0 "[ . 1 . 2]" 1
247 1 36 PRO HA 1 53 THR MG 5.500 . 6.000 2.834 2.354 3.448 . 0 0 "[ . 1 . 2]" 1
248 1 36 PRO HB3 1 53 THR MG 5.500 . 6.000 1.654 1.505 1.821 0.295 8 0 "[ . 1 . 2]" 1
249 1 36 PRO HB2 1 53 THR MG 4.000 . 4.500 2.918 2.697 3.115 . 0 0 "[ . 1 . 2]" 1
250 1 36 PRO QG 1 53 THR MG 5.500 . 6.000 3.034 2.768 3.251 . 0 0 "[ . 1 . 2]" 1
251 1 53 THR HA 1 54 PRO HD2 4.000 . 4.500 2.663 2.639 2.686 . 0 0 "[ . 1 . 2]" 1
252 1 53 THR HB 1 54 PRO HD3 4.000 . 4.500 3.565 3.027 3.730 . 0 0 "[ . 1 . 2]" 1
253 1 52 LYS HA 1 53 THR HA 5.500 . 6.000 4.495 4.486 4.522 . 0 0 "[ . 1 . 2]" 1
254 1 52 LYS HA 1 53 THR HB 5.500 . 6.000 5.434 5.322 5.684 . 0 0 "[ . 1 . 2]" 1
255 1 34 ILE MD 1 54 PRO HD3 5.500 . 6.000 4.338 3.406 5.369 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE MG 1 54 PRO HD3 5.500 . 6.000 2.735 1.973 3.539 . 0 0 "[ . 1 . 2]" 1
257 1 52 LYS HA 1 57 THR HB 5.500 . 6.000 3.193 3.024 3.436 . 0 0 "[ . 1 . 2]" 1
258 1 52 LYS HG2 1 57 THR HB 5.500 . 6.000 2.880 2.249 5.855 . 0 0 "[ . 1 . 2]" 1
259 1 52 LYS HA 1 73 MET ME 5.500 . 6.000 5.339 4.506 6.036 0.036 3 0 "[ . 1 . 2]" 1
260 1 53 THR MG 1 54 PRO HD3 5.500 . 6.000 2.662 2.358 3.829 . 0 0 "[ . 1 . 2]" 1
261 1 53 THR HB 1 54 PRO HG3 5.500 . 6.000 4.866 4.420 5.040 . 0 0 "[ . 1 . 2]" 1
262 1 53 THR HB 1 54 PRO HG2 5.500 . 6.000 3.980 3.753 4.127 . 0 0 "[ . 1 . 2]" 1
263 1 53 THR HA 1 54 PRO HG2 5.500 . 6.000 4.704 4.684 4.723 . 0 0 "[ . 1 . 2]" 1
264 1 36 PRO HB3 1 52 LYS HA 5.500 . 6.000 5.929 5.517 6.085 0.085 20 0 "[ . 1 . 2]" 1
265 1 54 PRO HA 1 55 ARG H 5.500 . 6.000 3.472 3.379 3.549 . 0 0 "[ . 1 . 2]" 1
266 1 54 PRO HB3 1 55 ARG H 5.500 . 6.000 4.304 4.128 4.450 . 0 0 "[ . 1 . 2]" 1
267 1 54 PRO HB2 1 55 ARG H 5.500 . 6.000 3.603 3.297 3.856 . 0 0 "[ . 1 . 2]" 1
268 1 53 THR HA 1 54 PRO HG3 5.500 . 6.000 4.538 4.522 4.553 . 0 0 "[ . 1 . 2]" 1
269 1 53 THR HA 1 56 GLN HG2 5.500 . 6.000 5.797 5.103 6.274 0.274 3 0 "[ . 1 . 2]" 1
270 1 54 PRO HA 1 56 GLN HA 5.500 . 6.000 6.406 6.267 6.590 0.590 16 4 "[ . 1 **-+ 2]" 1
271 1 54 PRO QB 1 56 GLN H 5.500 . 6.000 5.043 4.874 5.217 . 0 0 "[ . 1 . 2]" 1
272 1 55 ARG H 1 56 GLN HA 5.500 . 6.000 4.841 4.653 4.996 . 0 0 "[ . 1 . 2]" 1
273 1 55 ARG HA 1 56 GLN H 4.000 . 4.500 3.483 3.465 3.501 . 0 0 "[ . 1 . 2]" 1
274 1 55 ARG HD2 1 56 GLN H 5.500 . 6.000 5.717 4.298 6.409 0.409 7 0 "[ . 1 . 2]" 1
275 1 52 LYS HB2 1 57 THR MG 5.500 . 6.000 3.445 2.129 3.797 . 0 0 "[ . 1 . 2]" 1
276 1 56 GLN HA 1 57 THR HA 5.500 . 6.000 4.524 4.517 4.543 . 0 0 "[ . 1 . 2]" 1
277 1 56 GLN HB2 1 57 THR HA 5.500 . 6.000 4.767 4.582 5.677 . 0 0 "[ . 1 . 2]" 1
278 1 56 GLN HA 1 57 THR HB 5.500 . 6.000 5.604 5.590 5.619 . 0 0 "[ . 1 . 2]" 1
279 1 56 GLN HA 1 57 THR H 2.800 . 3.300 2.412 2.353 2.484 . 0 0 "[ . 1 . 2]" 1
280 1 56 GLN HB3 1 57 THR H 5.500 . 6.000 3.982 3.840 4.190 . 0 0 "[ . 1 . 2]" 1
281 1 50 THR MG 1 58 VAL HA 5.500 . 6.000 4.961 4.698 5.369 . 0 0 "[ . 1 . 2]" 1
282 1 51 SER HB2 1 58 VAL MG2 5.500 . 6.000 4.403 1.885 4.928 . 0 0 "[ . 1 . 2]" 1
283 1 57 THR HA 1 58 VAL HB 5.500 . 6.000 4.594 4.452 5.675 . 0 0 "[ . 1 . 2]" 1
284 1 57 THR H 1 58 VAL MG2 5.500 . 6.000 3.712 3.562 4.962 . 0 0 "[ . 1 . 2]" 1
285 1 50 THR HA 1 59 THR HA 5.500 . 6.000 1.967 1.851 2.030 . 0 0 "[ . 1 . 2]" 1
286 1 57 THR HB 1 59 THR HA 5.500 . 6.000 6.148 6.116 6.179 0.179 7 0 "[ . 1 . 2]" 1
287 1 57 THR HA 1 59 THR H 6.000 . 6.500 6.068 5.982 6.165 . 0 0 "[ . 1 . 2]" 1
288 1 57 THR HB 1 59 THR H 5.500 . 6.000 5.436 5.296 5.562 . 0 0 "[ . 1 . 2]" 1
289 1 58 VAL HA 1 59 THR HB 5.500 . 6.000 4.520 4.339 4.692 . 0 0 "[ . 1 . 2]" 1
290 1 53 THR H 1 57 THR HA 5.500 . 6.000 2.246 1.987 2.400 . 0 0 "[ . 1 . 2]" 1
291 1 59 THR MG 1 60 ASN HA 5.500 . 6.000 3.737 3.614 3.954 . 0 0 "[ . 1 . 2]" 1
292 1 59 THR HB 1 60 ASN H 5.500 . 6.000 4.150 3.942 4.346 . 0 0 "[ . 1 . 2]" 1
293 1 48 VAL MG2 1 61 SER HA 5.500 . 6.000 3.529 3.200 4.054 . 0 0 "[ . 1 . 2]" 1
294 1 48 VAL HA 1 61 SER HB3 5.500 . 6.000 4.278 3.328 4.894 . 0 0 "[ . 1 . 2]" 1
295 1 48 VAL MG2 1 61 SER HB3 5.500 . 6.000 3.812 2.468 4.753 . 0 0 "[ . 1 . 2]" 1
296 1 49 VAL H 1 61 SER HA 4.000 . 4.500 2.844 2.682 3.056 . 0 0 "[ . 1 . 2]" 1
297 1 59 THR MG 1 61 SER HA 5.500 . 6.000 5.530 4.982 6.288 0.288 7 0 "[ . 1 . 2]" 1
298 1 60 ASN HA 1 61 SER HA 5.500 . 6.000 4.537 4.491 4.567 . 0 0 "[ . 1 . 2]" 1
299 1 60 ASN HA 1 61 SER HB2 5.500 . 6.000 4.320 4.110 4.473 . 0 0 "[ . 1 . 2]" 1
300 1 60 ASN H 1 61 SER HB2 5.500 . 6.000 5.253 4.763 5.964 . 0 0 "[ . 1 . 2]" 1
301 1 60 ASN HA 1 61 SER H 2.800 . 3.300 2.313 2.222 2.358 . 0 0 "[ . 1 . 2]" 1
302 1 60 ASN HB3 1 61 SER H 5.500 . 6.000 2.979 2.833 3.388 . 0 0 "[ . 1 . 2]" 1
303 1 60 ASN HB2 1 61 SER H 5.500 . 6.000 3.964 3.740 4.216 . 0 0 "[ . 1 . 2]" 1
304 1 47 PHE QB 1 62 PHE QD . . 4.500 3.227 2.963 3.760 . 0 0 "[ . 1 . 2]" 1
305 1 60 ASN HA 1 62 PHE H 5.500 . 6.000 6.244 6.188 6.331 0.331 1 0 "[ . 1 . 2]" 1
306 1 60 ASN HB3 1 62 PHE H 5.500 . 6.000 5.660 5.504 5.850 . 0 0 "[ . 1 . 2]" 1
307 1 60 ASN HB2 1 62 PHE H 5.500 . 6.000 6.044 5.770 6.268 0.268 1 0 "[ . 1 . 2]" 1
308 1 61 SER HA 1 62 PHE HA 5.500 . 6.000 4.508 4.495 4.530 . 0 0 "[ . 1 . 2]" 1
309 1 61 SER HB2 1 62 PHE H 4.000 . 4.500 4.296 4.158 4.438 . 0 0 "[ . 1 . 2]" 1
310 1 45 ASP QB 1 63 THR HA 5.500 . 6.000 5.110 4.750 5.227 . 0 0 "[ . 1 . 2]" 1
311 1 46 ASP HA 1 63 THR HA 4.000 . 4.500 2.036 1.882 2.121 . 0 0 "[ . 1 . 2]" 1
312 1 62 PHE HA 1 63 THR HA 5.500 . 6.000 4.495 4.478 4.513 . 0 0 "[ . 1 . 2]" 1
313 1 62 PHE HA 1 63 THR HB 5.500 . 6.000 4.641 4.604 4.751 . 0 0 "[ . 1 . 2]" 1
314 1 62 PHE HA 1 63 THR H 4.000 . 4.500 2.490 2.411 2.554 . 0 0 "[ . 1 . 2]" 1
315 1 62 PHE HB3 1 63 THR H 5.500 . 6.000 3.828 3.732 3.945 . 0 0 "[ . 1 . 2]" 1
316 1 62 PHE HB2 1 63 THR H 5.500 . 6.000 2.499 2.362 2.687 . 0 0 "[ . 1 . 2]" 1
317 1 45 ASP HA 1 64 LEU QD . . 4.500 2.764 2.344 3.338 . 0 0 "[ . 1 . 2]" 1
318 1 47 PHE QE 1 64 LEU QD . . 4.500 2.114 1.758 2.371 0.042 7 0 "[ . 1 . 2]" 1
319 1 62 PHE HB3 1 70 ILE MD 5.500 . 6.000 2.821 2.480 3.279 . 0 0 "[ . 1 . 2]" 1
320 1 63 THR MG 1 64 LEU H 5.500 . 6.000 2.279 1.980 2.504 . 0 0 "[ . 1 . 2]" 1
321 1 64 LEU HA 1 65 GLY HA3 5.500 . 6.000 4.479 4.473 4.483 . 0 0 "[ . 1 . 2]" 1
322 1 64 LEU HB3 1 65 GLY HA3 5.500 . 6.000 4.453 4.362 4.547 . 0 0 "[ . 1 . 2]" 1
323 1 63 THR MG 1 66 LYS HB3 5.500 . 6.000 3.851 3.187 4.415 . 0 0 "[ . 1 . 2]" 1
324 1 63 THR MG 1 66 LYS H 5.500 . 6.000 3.950 3.649 4.289 . 0 0 "[ . 1 . 2]" 1
325 1 64 LEU HA 1 66 LYS H 5.500 . 6.000 3.453 3.400 3.544 . 0 0 "[ . 1 . 2]" 1
326 1 15 GLU H 1 32 ARG QB 5.500 . 6.000 5.584 4.588 6.420 0.420 4 0 "[ . 1 . 2]" 1
327 1 66 LYS HA 1 67 GLU HA 5.500 . 6.000 4.437 4.424 4.454 . 0 0 "[ . 1 . 2]" 1
328 1 61 SER H 1 68 ALA MB 5.500 . 6.000 4.949 4.641 5.090 . 0 0 "[ . 1 . 2]" 1
329 1 62 PHE HA 1 68 ALA HA 5.500 . 6.000 4.392 4.265 4.605 . 0 0 "[ . 1 . 2]" 1
330 1 62 PHE HB3 1 68 ALA MB 5.500 . 6.000 2.031 1.863 2.276 . 0 0 "[ . 1 . 2]" 1
331 1 62 PHE HB2 1 68 ALA MB 5.500 . 6.000 1.822 1.705 2.185 0.095 14 0 "[ . 1 . 2]" 1
332 1 62 PHE QD 1 68 ALA MB 5.500 . 6.000 3.432 3.303 3.707 . 0 0 "[ . 1 . 2]" 1
333 1 67 GLU HA 1 68 ALA HA 5.500 . 6.000 4.493 4.490 4.507 . 0 0 "[ . 1 . 2]" 1
334 1 67 GLU HB2 1 68 ALA HA 5.500 . 6.000 5.848 5.806 5.866 . 0 0 "[ . 1 . 2]" 1
335 1 67 GLU HG2 1 68 ALA HA 5.500 . 6.000 4.022 3.834 4.480 . 0 0 "[ . 1 . 2]" 1
336 1 67 GLU HA 1 68 ALA MB 5.500 . 6.000 3.915 3.816 3.961 . 0 0 "[ . 1 . 2]" 1
337 1 67 GLU HB2 1 68 ALA H 5.500 . 6.000 4.389 4.301 4.455 . 0 0 "[ . 1 . 2]" 1
338 1 67 GLU HG2 1 68 ALA H 5.500 . 6.000 3.135 2.580 3.269 . 0 0 "[ . 1 . 2]" 1
339 1 32 ARG HB3 1 33 ASP H 5.500 . 6.000 4.160 3.965 4.290 . 0 0 "[ . 1 . 2]" 1
340 1 68 ALA HA 1 69 ASP HA 5.500 . 6.000 4.437 4.432 4.442 . 0 0 "[ . 1 . 2]" 1
341 1 68 ALA HA 1 69 ASP HB2 5.500 . 6.000 4.980 4.627 5.726 . 0 0 "[ . 1 . 2]" 1
342 1 68 ALA HA 1 69 ASP H 2.800 . 3.300 2.303 2.264 2.323 . 0 0 "[ . 1 . 2]" 1
343 1 68 ALA MB 1 69 ASP H 4.000 . 4.500 2.898 2.830 3.010 . 0 0 "[ . 1 . 2]" 1
344 1 60 ASN HB3 1 70 ILE MD 4.000 . 4.500 2.099 1.850 3.627 . 0 0 "[ . 1 . 2]" 1
345 1 60 ASN HB2 1 70 ILE MD 4.000 . 4.500 3.089 2.798 4.400 . 0 0 "[ . 1 . 2]" 1
346 1 60 ASN HB3 1 70 ILE HG13 5.500 . 6.000 4.741 4.318 5.030 . 0 0 "[ . 1 . 2]" 1
347 1 60 ASN HB2 1 70 ILE HG13 5.500 . 6.000 5.759 5.394 6.021 0.021 4 0 "[ . 1 . 2]" 1
348 1 60 ASN HB2 1 70 ILE MG 5.500 . 6.000 3.966 3.064 4.233 . 0 0 "[ . 1 . 2]" 1
349 1 61 SER H 1 70 ILE MG 5.500 . 6.000 5.662 4.535 5.918 . 0 0 "[ . 1 . 2]" 1
350 1 62 PHE HB2 1 70 ILE MD 5.500 . 6.000 4.099 3.520 4.602 . 0 0 "[ . 1 . 2]" 1
351 1 62 PHE QD 1 70 ILE MD 5.500 . 6.000 2.287 2.098 2.882 . 0 0 "[ . 1 . 2]" 1
352 1 68 ALA MB 1 70 ILE MD 5.500 . 6.000 3.491 3.159 3.853 . 0 0 "[ . 1 . 2]" 1
353 1 68 ALA HA 1 70 ILE H 5.500 . 6.000 6.204 6.146 6.281 0.281 10 0 "[ . 1 . 2]" 1
354 1 68 ALA MB 1 70 ILE H 5.500 . 6.000 5.164 5.049 5.347 . 0 0 "[ . 1 . 2]" 1
355 1 69 ASP HA 1 70 ILE HA 5.500 . 6.000 4.500 4.490 4.516 . 0 0 "[ . 1 . 2]" 1
356 1 69 ASP H 1 70 ILE HA 5.500 . 6.000 5.351 5.267 5.462 . 0 0 "[ . 1 . 2]" 1
357 1 69 ASP HA 1 70 ILE HB 5.500 . 6.000 4.290 4.138 4.399 . 0 0 "[ . 1 . 2]" 1
358 1 58 VAL MG2 1 71 THR MG 5.500 . 6.000 4.162 3.483 5.495 . 0 0 "[ . 1 . 2]" 1
359 1 60 ASN HA 1 71 THR H 5.500 . 6.000 4.602 4.085 4.835 . 0 0 "[ . 1 . 2]" 1
360 1 70 ILE HA 1 71 THR HA 5.500 . 6.000 4.489 4.478 4.497 . 0 0 "[ . 1 . 2]" 1
361 1 70 ILE MD 1 71 THR HA 5.500 . 6.000 5.377 5.153 6.280 0.280 12 0 "[ . 1 . 2]" 1
362 1 70 ILE MG 1 71 THR HA 5.500 . 6.000 3.500 3.381 3.707 . 0 0 "[ . 1 . 2]" 1
363 1 70 ILE H 1 71 THR HA 5.500 . 6.000 4.840 4.735 4.917 . 0 0 "[ . 1 . 2]" 1
364 1 70 ILE HA 1 71 THR HB 5.500 . 6.000 4.832 4.416 5.620 . 0 0 "[ . 1 . 2]" 1
365 1 70 ILE HB 1 71 THR H 5.500 . 6.000 4.184 4.080 4.301 . 0 0 "[ . 1 . 2]" 1
366 1 70 ILE MD 1 71 THR H 5.500 . 6.000 3.127 2.872 4.882 . 0 0 "[ . 1 . 2]" 1
367 1 58 VAL MG1 1 72 THR HA 5.500 . 6.000 4.236 3.686 5.124 . 0 0 "[ . 1 . 2]" 1
368 1 71 THR HA 1 72 THR MG 5.500 . 6.000 4.261 3.408 5.129 . 0 0 "[ . 1 . 2]" 1
369 1 36 PRO HB3 1 73 MET ME 5.500 . 6.000 2.783 2.325 3.479 . 0 0 "[ . 1 . 2]" 1
370 1 53 THR MG 1 73 MET ME 4.000 . 4.500 2.412 1.851 3.104 . 0 0 "[ . 1 . 2]" 1
371 1 53 THR H 1 73 MET ME 5.500 . 6.000 4.818 4.206 5.398 . 0 0 "[ . 1 . 2]" 1
372 1 57 THR HA 1 73 MET ME 5.500 . 6.000 5.538 4.905 5.959 . 0 0 "[ . 1 . 2]" 1
373 1 58 VAL HA 1 73 MET HA 5.500 . 6.000 5.704 5.257 6.055 0.055 20 0 "[ . 1 . 2]" 1
374 1 58 VAL HB 1 73 MET HB2 4.000 . 4.500 4.626 4.433 4.908 0.408 3 0 "[ . 1 . 2]" 1
375 1 58 VAL MG2 1 73 MET HB2 5.500 . 6.000 3.960 2.398 4.212 . 0 0 "[ . 1 . 2]" 1
376 1 58 VAL H 1 73 MET ME 5.500 . 6.000 5.054 4.529 5.576 . 0 0 "[ . 1 . 2]" 1
377 1 58 VAL HB 1 73 MET HG3 5.500 . 6.000 3.186 1.970 4.323 . 0 0 "[ . 1 . 2]" 1
378 1 58 VAL MG2 1 73 MET HG3 5.500 . 6.000 2.444 1.801 3.054 . 0 0 "[ . 1 . 2]" 1
379 1 58 VAL HB 1 73 MET HG2 5.500 . 6.000 4.466 2.147 6.015 0.015 2 0 "[ . 1 . 2]" 1
380 1 58 VAL MG2 1 73 MET HG2 4.000 . 4.500 3.091 1.789 4.003 0.011 1 0 "[ . 1 . 2]" 1
381 1 72 THR HB 1 73 MET HA 5.500 . 6.000 4.931 4.787 5.138 . 0 0 "[ . 1 . 2]" 1
382 1 72 THR HA 1 73 MET HB2 5.500 . 6.000 4.293 4.208 4.598 . 0 0 "[ . 1 . 2]" 1
383 1 72 THR HA 1 73 MET HG3 5.500 . 6.000 5.552 3.834 6.206 0.206 4 0 "[ . 1 . 2]" 1
384 1 23 LEU MD2 1 74 ASP HB2 5.500 . 6.000 2.512 2.072 3.270 . 0 0 "[ . 1 . 2]" 1
385 1 58 VAL MG2 1 74 ASP H 5.500 . 6.000 5.108 4.755 5.456 . 0 0 "[ . 1 . 2]" 1
386 1 73 MET HA 1 74 ASP H 5.500 . 6.000 3.438 3.390 3.480 . 0 0 "[ . 1 . 2]" 1
387 1 71 THR MG 1 75 GLY H 5.500 . 6.000 5.148 3.969 5.958 . 0 0 "[ . 1 . 2]" 1
388 1 73 MET HA 1 75 GLY H 5.500 . 6.000 3.853 3.732 4.008 . 0 0 "[ . 1 . 2]" 1
389 1 74 ASP HA 1 75 GLY H 5.500 . 6.000 3.436 3.403 3.489 . 0 0 "[ . 1 . 2]" 1
390 1 72 THR MG 1 76 LYS HB3 5.500 . 6.000 2.768 1.745 3.659 0.055 2 0 "[ . 1 . 2]" 1
391 1 72 THR MG 1 76 LYS HB2 5.500 . 6.000 2.826 2.334 3.134 . 0 0 "[ . 1 . 2]" 1
392 1 72 THR MG 1 76 LYS HG3 5.500 . 6.000 4.632 4.308 4.917 . 0 0 "[ . 1 . 2]" 1
393 1 72 THR MG 1 76 LYS H 5.500 . 6.000 3.644 3.201 3.983 . 0 0 "[ . 1 . 2]" 1
394 1 35 LYS HA 1 36 PRO HA 5.500 . 6.000 4.599 4.579 4.619 . 0 0 "[ . 1 . 2]" 1
395 1 27 LEU QB 1 74 ASP HB3 5.500 . 6.000 5.560 4.854 6.093 0.093 16 0 "[ . 1 . 2]" 1
396 1 27 LEU QB 1 74 ASP HB2 5.500 . 6.000 4.789 4.402 5.299 . 0 0 "[ . 1 . 2]" 1
397 1 27 LEU HG 1 74 ASP HB3 5.500 . 6.000 5.348 4.493 6.186 0.186 11 0 "[ . 1 . 2]" 1
398 1 27 LEU HG 1 74 ASP HB2 5.500 . 6.000 4.987 4.307 5.665 . 0 0 "[ . 1 . 2]" 1
399 1 74 ASP HB3 1 76 LYS HG3 5.500 . 6.000 5.160 3.827 6.211 0.211 14 0 "[ . 1 . 2]" 1
400 1 75 GLY HA3 1 76 LYS HA 5.500 . 6.000 4.553 4.536 4.579 . 0 0 "[ . 1 . 2]" 1
401 1 76 LYS HA 1 77 LYS HA 5.500 . 6.000 4.483 4.480 4.485 . 0 0 "[ . 1 . 2]" 1
402 1 76 LYS HG2 1 77 LYS HA 5.500 . 6.000 5.810 5.408 5.962 . 0 0 "[ . 1 . 2]" 1
403 1 70 ILE HB 1 78 LEU MD1 5.500 . 6.000 3.315 2.587 3.801 . 0 0 "[ . 1 . 2]" 1
404 1 70 ILE HB 1 78 LEU HG 5.500 . 6.000 2.886 2.630 3.162 . 0 0 "[ . 1 . 2]" 1
405 1 70 ILE MG 1 78 LEU HG 5.500 . 6.000 3.402 3.196 4.047 . 0 0 "[ . 1 . 2]" 1
406 1 72 THR MG 1 78 LEU MD1 5.500 . 6.000 3.888 3.266 4.490 . 0 0 "[ . 1 . 2]" 1
407 1 72 THR MG 1 78 LEU HG 5.500 . 6.000 4.710 3.819 5.653 . 0 0 "[ . 1 . 2]" 1
408 1 72 THR MG 1 78 LEU H 5.500 . 6.000 5.408 4.401 6.462 0.462 18 0 "[ . 1 . 2]" 1
409 1 76 LYS HB3 1 78 LEU HB3 5.500 . 6.000 4.451 4.355 4.629 . 0 0 "[ . 1 . 2]" 1
410 1 76 LYS HB3 1 78 LEU HB2 5.500 . 6.000 6.010 5.924 6.151 0.151 14 0 "[ . 1 . 2]" 1
411 1 77 LYS HB3 1 78 LEU H 5.500 . 6.000 3.630 3.214 4.296 . 0 0 "[ . 1 . 2]" 1
412 1 77 LYS HB2 1 78 LEU H 5.500 . 6.000 4.168 3.295 4.389 . 0 0 "[ . 1 . 2]" 1
413 1 78 LEU HA 1 79 LYS HA 5.500 . 6.000 4.461 4.451 4.470 . 0 0 "[ . 1 . 2]" 1
414 1 78 LEU HB2 1 79 LYS HA 4.000 . 4.500 4.855 4.795 4.950 0.450 4 0 "[ . 1 . 2]" 1
415 1 78 LEU HA 1 79 LYS H 2.800 . 3.300 2.378 2.318 2.419 . 0 0 "[ . 1 . 2]" 1
416 1 78 LEU HB3 1 79 LYS H 5.500 . 6.000 4.015 3.945 4.116 . 0 0 "[ . 1 . 2]" 1
417 1 78 LEU HB2 1 79 LYS H 5.500 . 6.000 2.781 2.674 2.958 . 0 0 "[ . 1 . 2]" 1
418 1 67 GLU HG3 1 80 CYS HA 5.500 . 6.000 4.385 4.094 5.411 . 0 0 "[ . 1 . 2]" 1
419 1 68 ALA H 1 80 CYS HA 5.500 . 6.000 4.890 4.746 5.043 . 0 0 "[ . 1 . 2]" 1
420 1 68 ALA HA 1 80 CYS H 5.500 . 6.000 5.007 4.924 5.087 . 0 0 "[ . 1 . 2]" 1
421 1 68 ALA MB 1 80 CYS H 5.500 . 6.000 4.008 3.812 4.205 . 0 0 "[ . 1 . 2]" 1
422 1 70 ILE HG12 1 80 CYS HB3 5.500 . 6.000 5.049 4.270 6.030 0.030 12 0 "[ . 1 . 2]" 1
423 1 70 ILE HG12 1 80 CYS HB2 5.500 . 6.000 4.674 3.095 6.006 0.006 9 0 "[ . 1 . 2]" 1
424 1 79 LYS HB3 1 80 CYS HA 5.500 . 6.000 4.590 4.479 4.665 . 0 0 "[ . 1 . 2]" 1
425 1 79 LYS HG3 1 80 CYS H 5.500 . 6.000 4.991 4.586 5.171 . 0 0 "[ . 1 . 2]" 1
426 1 79 LYS HG2 1 80 CYS H 5.500 . 6.000 4.517 4.369 4.834 . 0 0 "[ . 1 . 2]" 1
427 1 65 GLY HA3 1 81 THR MG 5.500 . 6.000 4.624 4.170 5.714 . 0 0 "[ . 1 . 2]" 1
428 1 66 LYS HA 1 81 THR MG 5.500 . 6.000 3.339 3.081 3.460 . 0 0 "[ . 1 . 2]" 1
429 1 79 LYS HA 1 81 THR H 5.500 . 6.000 6.371 6.245 6.474 0.474 6 0 "[ . 1 . 2]" 1
430 1 79 LYS HB3 1 81 THR H 5.500 . 6.000 5.963 5.868 6.141 0.141 6 0 "[ . 1 . 2]" 1
431 1 79 LYS HB2 1 81 THR H 5.500 . 6.000 6.139 5.911 6.358 0.358 6 0 "[ . 1 . 2]" 1
432 1 80 CYS HA 1 81 THR HA 5.500 . 6.000 4.470 4.463 4.475 . 0 0 "[ . 1 . 2]" 1
433 1 80 CYS H 1 81 THR HA 5.500 . 6.000 4.556 4.482 4.657 . 0 0 "[ . 1 . 2]" 1
434 1 80 CYS HA 1 81 THR HB 5.500 . 6.000 4.934 4.652 5.636 . 0 0 "[ . 1 . 2]" 1
435 1 80 CYS HA 1 81 THR H 2.800 . 3.300 2.245 2.223 2.293 . 0 0 "[ . 1 . 2]" 1
436 1 47 PHE QB 1 82 VAL HB 5.500 . 6.000 4.383 4.056 5.018 . 0 0 "[ . 1 . 2]" 1
437 1 62 PHE QD 1 82 VAL HB . . 4.500 2.556 2.244 2.853 . 0 0 "[ . 1 . 2]" 1
438 1 62 PHE QD 1 82 VAL MG1 5.500 . 6.000 3.590 3.346 3.777 . 0 0 "[ . 1 . 2]" 1
439 1 62 PHE QD 1 82 VAL MG2 5.500 . 6.000 2.624 2.176 3.002 . 0 0 "[ . 1 . 2]" 1
440 1 91 THR H 1 99 GLU HA 5.500 . 6.000 3.533 3.416 3.644 . 0 0 "[ . 1 . 2]" 1
441 1 64 LEU HA 1 83 HIS HA 5.500 . 6.000 3.605 3.278 3.818 . 0 0 "[ . 1 . 2]" 1
442 1 64 LEU HB3 1 83 HIS HA 5.500 . 6.000 3.383 2.977 4.445 . 0 0 "[ . 1 . 2]" 1
443 1 64 LEU HB2 1 83 HIS HA 5.500 . 6.000 4.819 4.460 5.112 . 0 0 "[ . 1 . 2]" 1
444 1 64 LEU QD 1 89 LEU HA 5.500 . 6.000 3.708 3.408 3.906 . 0 0 "[ . 1 . 2]" 1
445 1 64 LEU QD 1 83 HIS HA 5.500 . 6.000 2.003 1.862 2.336 . 0 0 "[ . 1 . 2]" 1
446 1 64 LEU HB3 1 83 HIS HB3 5.500 . 6.000 5.601 5.003 6.329 0.329 1 0 "[ . 1 . 2]" 1
447 1 64 LEU HB3 1 83 HIS HB2 5.500 . 6.000 5.624 4.961 6.378 0.378 4 0 "[ . 1 . 2]" 1
448 1 65 GLY HA2 1 83 HIS HA 5.500 . 6.000 4.976 4.696 5.268 . 0 0 "[ . 1 . 2]" 1
449 1 65 GLY HA2 1 83 HIS HB3 5.500 . 6.000 5.168 4.419 6.428 0.428 11 0 "[ . 1 . 2]" 1
450 1 81 THR HB 1 83 HIS H 5.500 . 6.000 6.034 5.754 6.339 0.339 11 0 "[ . 1 . 2]" 1
451 1 82 VAL MG1 1 83 HIS HA 5.500 . 6.000 3.675 3.558 3.886 . 0 0 "[ . 1 . 2]" 1
452 1 82 VAL HB 1 83 HIS H 5.500 . 6.000 3.987 3.731 4.096 . 0 0 "[ . 1 . 2]" 1
453 1 64 LEU QD 1 84 LEU HA 5.500 . 6.000 3.550 3.158 3.853 . 0 0 "[ . 1 . 2]" 1
454 1 64 LEU QD 1 84 LEU HB3 5.500 . 6.000 3.910 3.338 4.355 . 0 0 "[ . 1 . 2]" 1
455 1 64 LEU QD 1 84 LEU HB2 5.500 . 6.000 2.844 1.983 3.555 . 0 0 "[ . 1 . 2]" 1
456 1 64 LEU QD 1 84 LEU MD2 5.500 . 6.000 3.007 2.571 3.415 . 0 0 "[ . 1 . 2]" 1
457 1 64 LEU QD 1 84 LEU HG 5.500 . 6.000 2.647 1.781 4.552 0.019 15 0 "[ . 1 . 2]" 1
458 1 64 LEU QD 1 84 LEU H 5.500 . 6.000 2.530 1.781 3.028 0.019 4 0 "[ . 1 . 2]" 1
459 1 82 VAL MG1 1 89 LEU HB3 5.500 . 6.000 4.021 3.839 4.197 . 0 0 "[ . 1 . 2]" 1
460 1 83 HIS HB3 1 84 LEU H 5.500 . 6.000 3.806 3.239 4.103 . 0 0 "[ . 1 . 2]" 1
461 1 83 HIS HB2 1 84 LEU H 4.000 . 4.500 3.275 2.698 4.396 . 0 0 "[ . 1 . 2]" 1
462 1 83 HIS HB3 1 85 ALA MB 5.500 . 6.000 5.094 3.444 5.870 . 0 0 "[ . 1 . 2]" 1
463 1 83 HIS HB2 1 85 ALA MB 5.500 . 6.000 4.674 4.311 5.124 . 0 0 "[ . 1 . 2]" 1
464 1 83 HIS HA 1 85 ALA H 5.500 . 6.000 6.016 5.536 6.257 0.257 14 0 "[ . 1 . 2]" 1
465 1 84 LEU HA 1 85 ALA HA 5.500 . 6.000 4.503 4.491 4.514 . 0 0 "[ . 1 . 2]" 1
466 1 84 LEU HB2 1 85 ALA HA 5.500 . 6.000 5.238 4.930 5.659 . 0 0 "[ . 1 . 2]" 1
467 1 84 LEU HA 1 85 ALA MB 5.500 . 6.000 3.944 3.845 4.116 . 0 0 "[ . 1 . 2]" 1
468 1 84 LEU HB3 1 85 ALA H 5.500 . 6.000 3.654 3.368 4.068 . 0 0 "[ . 1 . 2]" 1
469 1 84 LEU HB2 1 85 ALA H 5.500 . 6.000 4.490 4.335 4.672 . 0 0 "[ . 1 . 2]" 1
470 1 85 ALA HA 1 86 ASN HA 4.000 . 4.500 4.520 4.506 4.559 0.059 11 0 "[ . 1 . 2]" 1
471 1 85 ALA HA 1 87 GLY H 5.500 . 6.000 3.620 3.266 3.860 . 0 0 "[ . 1 . 2]" 1
472 1 85 ALA MB 1 87 GLY H 5.500 . 6.000 4.369 4.114 4.560 . 0 0 "[ . 1 . 2]" 1
473 1 86 ASN HA 1 87 GLY H 4.000 . 4.500 3.060 2.898 3.214 . 0 0 "[ . 1 . 2]" 1
474 1 84 LEU HA 1 88 LYS H 5.500 . 6.000 3.584 3.366 3.740 . 0 0 "[ . 1 . 2]" 1
475 1 84 LEU MD2 1 88 LYS H 5.500 . 6.000 3.196 2.315 4.270 . 0 0 "[ . 1 . 2]" 1
476 1 85 ALA MB 1 88 LYS H 5.500 . 6.000 4.041 3.834 4.260 . 0 0 "[ . 1 . 2]" 1
477 1 87 GLY HA2 1 88 LYS HG2 5.500 . 6.000 5.218 4.702 5.776 . 0 0 "[ . 1 . 2]" 1
478 1 47 PHE QE 1 89 LEU MD1 5.500 . 6.000 2.765 2.435 3.249 . 0 0 "[ . 1 . 2]" 1
479 1 47 PHE QB 1 89 LEU MD1 5.500 . 6.000 3.193 2.988 3.348 . 0 0 "[ . 1 . 2]" 1
480 1 64 LEU QD 1 89 LEU MD1 5.500 . 6.000 2.559 2.008 3.263 . 0 0 "[ . 1 . 2]" 1
481 1 82 VAL MG2 1 89 LEU HB3 5.500 . 6.000 5.862 5.640 6.031 0.031 3 0 "[ . 1 . 2]" 1
482 1 82 VAL MG1 1 89 LEU HB2 5.500 . 6.000 4.015 3.773 4.291 . 0 0 "[ . 1 . 2]" 1
483 1 82 VAL MG2 1 89 LEU MD2 5.500 . 6.000 2.763 2.498 2.950 . 0 0 "[ . 1 . 2]" 1
484 1 82 VAL MG2 1 89 LEU MD1 5.500 . 6.000 3.496 3.110 3.918 . 0 0 "[ . 1 . 2]" 1
485 1 84 LEU HA 1 89 LEU HA 4.000 . 4.500 2.544 2.344 2.779 . 0 0 "[ . 1 . 2]" 1
486 1 84 LEU MD2 1 89 LEU HA 5.500 . 6.000 3.108 2.089 4.825 . 0 0 "[ . 1 . 2]" 1
487 1 84 LEU MD2 1 89 LEU MD1 5.500 . 6.000 3.646 2.940 4.634 . 0 0 "[ . 1 . 2]" 1
488 1 84 LEU HA 1 89 LEU MD2 5.500 . 6.000 5.249 5.026 5.436 . 0 0 "[ . 1 . 2]" 1
489 1 84 LEU MD2 1 89 LEU MD2 5.500 . 6.000 5.013 4.155 6.148 0.148 10 0 "[ . 1 . 2]" 1
490 1 84 LEU MD2 1 89 LEU H 5.500 . 6.000 3.606 2.660 5.205 . 0 0 "[ . 1 . 2]" 1
491 1 88 LYS HA 1 89 LEU HA 5.500 . 6.000 4.486 4.455 4.531 . 0 0 "[ . 1 . 2]" 1
492 1 88 LYS HA 1 89 LEU HB2 5.500 . 6.000 4.362 4.325 4.410 . 0 0 "[ . 1 . 2]" 1
493 1 88 LYS HG3 1 89 LEU H 5.500 . 6.000 4.887 4.175 5.245 . 0 0 "[ . 1 . 2]" 1
494 1 83 HIS H 1 90 VAL MG1 5.500 . 6.000 4.901 4.727 5.095 . 0 0 "[ . 1 . 2]" 1
495 1 83 HIS HB3 1 90 VAL H 5.500 . 6.000 5.136 3.963 5.678 . 0 0 "[ . 1 . 2]" 1
496 1 83 HIS HB2 1 90 VAL H 5.500 . 6.000 5.050 4.069 5.572 . 0 0 "[ . 1 . 2]" 1
497 1 85 ALA HA 1 90 VAL MG2 5.500 . 6.000 5.218 4.565 5.710 . 0 0 "[ . 1 . 2]" 1
498 1 85 ALA MB 1 90 VAL MG2 5.500 . 6.000 2.790 2.308 3.282 . 0 0 "[ . 1 . 2]" 1
499 1 89 LEU HB3 1 90 VAL HA 5.500 . 6.000 4.498 4.401 4.593 . 0 0 "[ . 1 . 2]" 1
500 1 89 LEU HA 1 90 VAL MG2 5.500 . 6.000 3.584 3.379 3.735 . 0 0 "[ . 1 . 2]" 1
501 1 89 LEU HB2 1 90 VAL H 5.500 . 6.000 4.338 4.239 4.451 . 0 0 "[ . 1 . 2]" 1
502 1 80 CYS HA 1 91 THR HA 5.500 . 6.000 6.035 5.772 6.252 0.252 14 0 "[ . 1 . 2]" 1
503 1 80 CYS HA 1 91 THR MG 5.500 . 6.000 3.889 3.394 5.934 . 0 0 "[ . 1 . 2]" 1
504 1 80 CYS HB3 1 91 THR MG 5.500 . 6.000 2.621 1.743 4.715 0.057 19 0 "[ . 1 . 2]" 1
505 1 80 CYS HB2 1 91 THR MG 5.500 . 6.000 2.645 1.808 4.684 . 0 0 "[ . 1 . 2]" 1
506 1 81 THR H 1 91 THR MG 5.500 . 6.000 3.817 3.134 6.033 0.033 8 0 "[ . 1 . 2]" 1
507 1 82 VAL HA 1 91 THR HA 5.500 . 6.000 2.766 2.584 2.891 . 0 0 "[ . 1 . 2]" 1
508 1 82 VAL HA 1 91 THR MG 5.500 . 6.000 3.410 3.094 4.346 . 0 0 "[ . 1 . 2]" 1
509 1 82 VAL MG2 1 91 THR MG 5.500 . 6.000 2.634 2.097 3.331 . 0 0 "[ . 1 . 2]" 1
510 1 83 HIS H 1 91 THR HA 5.500 . 6.000 3.793 3.612 4.057 . 0 0 "[ . 1 . 2]" 1
511 1 90 VAL HA 1 91 THR HA 5.500 . 6.000 4.496 4.489 4.509 . 0 0 "[ . 1 . 2]" 1
512 1 90 VAL MG1 1 91 THR HA 5.500 . 6.000 4.083 3.785 5.634 . 0 0 "[ . 1 . 2]" 1
513 1 90 VAL HA 1 92 LYS HA 5.500 . 6.000 6.315 6.269 6.405 0.405 4 0 "[ . 1 . 2]" 1
514 1 101 GLU QB 1 108 VAL HA 5.500 . 6.000 5.717 5.475 6.348 0.348 7 0 "[ . 1 . 2]" 1
515 1 91 THR HA 1 92 LYS HA 5.500 . 6.000 4.555 4.517 4.604 . 0 0 "[ . 1 . 2]" 1
516 1 91 THR MG 1 92 LYS HA 5.500 . 6.000 4.148 3.987 4.255 . 0 0 "[ . 1 . 2]" 1
517 1 91 THR MG 1 92 LYS H 5.500 . 6.000 3.514 3.258 4.080 . 0 0 "[ . 1 . 2]" 1
518 1 92 LYS HA 1 93 SER H 4.000 . 4.500 2.410 2.326 2.505 . 0 0 "[ . 1 . 2]" 1
519 1 92 LYS HB3 1 93 SER H 5.500 . 6.000 3.963 3.810 4.117 . 0 0 "[ . 1 . 2]" 1
520 1 92 LYS HB2 1 94 GLU HA 5.500 . 6.000 6.357 6.280 6.408 0.408 9 0 "[ . 1 . 2]" 1
521 1 12 GLU QG 1 119 ILE HB 5.500 . 6.000 4.708 1.993 5.159 . 0 0 "[ . 1 . 2]" 1
522 1 93 SER HA 1 94 GLU H 5.500 . 6.000 2.784 2.630 2.898 . 0 0 "[ . 1 . 2]" 1
523 1 93 SER HB2 1 95 LYS HG3 5.500 . 6.000 4.633 3.531 6.369 0.369 9 0 "[ . 1 . 2]" 1
524 1 93 SER HB3 1 95 LYS H 5.500 . 6.000 2.901 2.571 3.203 . 0 0 "[ . 1 . 2]" 1
525 1 85 ALA MB 1 86 ASN H 4.000 . 4.500 3.189 2.781 3.454 . 0 0 "[ . 1 . 2]" 1
526 1 94 GLU HB2 1 95 LYS H 5.500 . 6.000 4.403 4.005 4.606 . 0 0 "[ . 1 . 2]" 1
527 1 17 PHE HZ 1 96 PHE HA 5.500 . 6.000 6.085 5.708 6.395 0.395 8 0 "[ . 1 . 2]" 1
528 1 17 PHE HZ 1 96 PHE HB2 5.500 . 6.000 4.735 4.340 5.109 . 0 0 "[ . 1 . 2]" 1
529 1 78 LEU MD1 1 96 PHE HZ 5.500 . 6.000 2.045 1.909 2.401 . 0 0 "[ . 1 . 2]" 1
530 1 80 CYS HB3 1 96 PHE HZ 5.500 . 6.000 3.825 2.627 4.973 . 0 0 "[ . 1 . 2]" 1
531 1 80 CYS HB2 1 96 PHE HZ 5.500 . 6.000 4.075 3.465 4.606 . 0 0 "[ . 1 . 2]" 1
532 1 91 THR MG 1 96 PHE HZ 4.000 . 4.500 3.870 3.378 4.602 0.102 4 0 "[ . 1 . 2]" 1
533 1 92 LYS HA 1 96 PHE HD1 5.500 . 6.000 4.160 3.711 4.712 . 0 0 "[ . 1 . 2]" 1
534 1 93 SER HB2 1 96 PHE HD2 5.500 . 6.000 5.037 4.217 5.798 . 0 0 "[ . 1 . 2]" 1
535 1 92 LYS HB2 1 97 SER HA 5.500 . 6.000 4.100 3.580 4.558 . 0 0 "[ . 1 . 2]" 1
536 1 92 LYS QB 1 97 SER HA 5.500 . 6.000 3.685 3.235 4.127 . 0 0 "[ . 1 . 2]" 1
537 1 96 PHE HB3 1 97 SER H 5.500 . 6.000 4.243 4.182 4.312 . 0 0 "[ . 1 . 2]" 1
538 1 96 PHE HB2 1 97 SER H 5.500 . 6.000 3.117 3.032 3.226 . 0 0 "[ . 1 . 2]" 1
539 1 91 THR HB 1 98 HIS HB3 5.500 . 6.000 2.030 1.646 3.880 0.154 13 0 "[ . 1 . 2]" 1
540 1 91 THR MG 1 98 HIS HB3 5.500 . 6.000 3.145 1.413 3.483 0.387 4 0 "[ . 1 . 2]" 1
541 1 91 THR HB 1 98 HIS HB2 5.500 . 6.000 3.411 2.992 5.451 . 0 0 "[ . 1 . 2]" 1
542 1 91 THR MG 1 98 HIS HB2 5.500 . 6.000 3.773 2.572 4.124 . 0 0 "[ . 1 . 2]" 1
543 1 96 PHE HE1 1 98 HIS HB3 5.500 . 6.000 4.495 4.045 4.845 . 0 0 "[ . 1 . 2]" 1
544 1 96 PHE HD1 1 98 HIS HB2 5.500 . 6.000 3.841 3.633 4.046 . 0 0 "[ . 1 . 2]" 1
545 1 90 VAL MG2 1 99 GLU HA 5.500 . 6.000 2.779 2.211 4.696 . 0 0 "[ . 1 . 2]" 1
546 1 90 VAL MG2 1 99 GLU HG2 5.500 . 6.000 2.813 1.835 5.382 . 0 0 "[ . 1 . 2]" 1
547 1 98 HIS HA 1 99 GLU HB2 5.500 . 6.000 4.388 3.989 5.605 . 0 0 "[ . 1 . 2]" 1
548 1 98 HIS HB2 1 99 GLU H 5.500 . 6.000 4.260 4.199 4.329 . 0 0 "[ . 1 . 2]" 1
549 1 88 LYS HA 1 100 GLN QB 5.500 . 6.000 5.673 5.179 5.982 . 0 0 "[ . 1 . 2]" 1
550 1 89 LEU HB3 1 100 GLN QB 5.500 . 6.000 2.962 2.707 3.255 . 0 0 "[ . 1 . 2]" 1
551 1 89 LEU HB2 1 100 GLN QB 5.500 . 6.000 4.272 4.029 4.560 . 0 0 "[ . 1 . 2]" 1
552 1 89 LEU MD2 1 100 GLN QB 5.500 . 6.000 3.338 3.086 3.636 . 0 0 "[ . 1 . 2]" 1
553 1 99 GLU HA 1 100 GLN H 4.000 . 4.500 2.214 2.210 2.223 . 0 0 "[ . 1 . 2]" 1
554 1 2 PHE HZ 1 101 GLU HA 5.500 . 6.000 2.405 2.066 3.315 . 0 0 "[ . 1 . 2]" 1
555 1 2 PHE HA 1 102 VAL MG1 5.500 . 6.000 3.181 2.845 3.643 . 0 0 "[ . 1 . 2]" 1
556 1 2 PHE QD 1 102 VAL MG1 5.500 . 6.000 3.320 2.708 4.599 . 0 0 "[ . 1 . 2]" 1
557 1 2 PHE HA 1 102 VAL MG2 5.500 . 6.000 3.261 1.944 3.837 . 0 0 "[ . 1 . 2]" 1
558 1 88 LYS HA 1 102 VAL H 5.500 . 6.000 4.869 4.553 5.200 . 0 0 "[ . 1 . 2]" 1
559 1 101 GLU HA 1 102 VAL HA 4.000 . 4.500 4.492 4.477 4.516 0.016 17 0 "[ . 1 . 2]" 1
560 1 101 GLU HB2 1 102 VAL HA 5.500 . 6.000 5.576 4.732 5.883 . 0 0 "[ . 1 . 2]" 1
561 1 101 GLU HA 1 102 VAL HB 5.500 . 6.000 4.274 4.209 4.598 . 0 0 "[ . 1 . 2]" 1
562 1 101 GLU HA 1 102 VAL MG1 5.500 . 6.000 3.833 3.662 5.404 . 0 0 "[ . 1 . 2]" 1
563 1 101 GLU HG2 1 103 LYS HG3 5.500 . 6.000 4.452 2.849 5.978 . 0 0 "[ . 1 . 2]" 1
564 1 102 VAL MG1 1 103 LYS H 5.500 . 6.000 3.714 2.456 3.923 . 0 0 "[ . 1 . 2]" 1
565 1 102 VAL HA 1 104 GLY H 5.500 . 6.000 5.427 5.328 5.555 . 0 0 "[ . 1 . 2]" 1
566 1 102 VAL MG1 1 104 GLY H 5.500 . 6.000 3.806 3.296 4.075 . 0 0 "[ . 1 . 2]" 1
567 1 103 LYS HA 1 104 GLY H 5.500 . 6.000 2.318 2.280 2.355 . 0 0 "[ . 1 . 2]" 1
568 1 6 TRP HH2 1 105 ASN HB3 5.500 . 6.000 5.506 5.146 6.140 0.140 4 0 "[ . 1 . 2]" 1
569 1 6 TRP HH2 1 105 ASN HB2 5.500 . 6.000 5.661 4.870 6.108 0.108 7 0 "[ . 1 . 2]" 1
570 1 103 LYS HB2 1 105 ASN H 5.500 . 6.000 5.497 5.170 5.789 . 0 0 "[ . 1 . 2]" 1
571 1 9 TYR QE 1 106 GLU HB3 5.500 . 6.000 4.204 3.367 4.527 . 0 0 "[ . 1 . 2]" 1
572 1 105 ASN HA 1 106 GLU HA 5.500 . 6.000 4.577 4.548 4.606 . 0 0 "[ . 1 . 2]" 1
573 1 105 ASN H 1 106 GLU HG2 5.500 . 6.000 4.976 4.245 5.228 . 0 0 "[ . 1 . 2]" 1
574 1 105 ASN HA 1 106 GLU H 5.500 . 6.000 3.217 3.141 3.288 . 0 0 "[ . 1 . 2]" 1
575 1 105 ASN HB3 1 106 GLU H 5.500 . 6.000 4.309 4.049 4.463 . 0 0 "[ . 1 . 2]" 1
576 1 105 ASN HB2 1 106 GLU H 5.500 . 6.000 4.027 3.634 4.463 . 0 0 "[ . 1 . 2]" 1
577 1 2 PHE HB3 1 107 MET ME 5.500 . 6.000 3.229 2.715 3.643 . 0 0 "[ . 1 . 2]" 1
578 1 4 GLY HA3 1 107 MET ME 5.500 . 6.000 5.504 5.132 5.793 . 0 0 "[ . 1 . 2]" 1
579 1 6 TRP HB2 1 107 MET ME 5.500 . 6.000 4.350 3.056 4.736 . 0 0 "[ . 1 . 2]" 1
580 1 6 TRP HD1 1 107 MET ME 5.500 . 6.000 3.224 2.406 3.666 . 0 0 "[ . 1 . 2]" 1
581 1 6 TRP HE1 1 107 MET ME 5.500 . 6.000 2.260 1.912 2.771 . 0 0 "[ . 1 . 2]" 1
582 1 40 ILE MD 1 107 MET ME 4.000 . 4.500 2.157 1.718 4.121 0.082 14 0 "[ . 1 . 2]" 1
583 1 40 ILE HG12 1 107 MET ME 5.500 . 6.000 4.357 3.436 5.086 . 0 0 "[ . 1 . 2]" 1
584 1 102 VAL HA 1 107 MET HA 4.000 . 4.500 2.138 1.940 2.380 . 0 0 "[ . 1 . 2]" 1
585 1 102 VAL HB 1 107 MET ME 5.500 . 6.000 2.503 2.013 4.230 . 0 0 "[ . 1 . 2]" 1
586 1 105 ASN HA 1 124 ARG HB3 5.500 . 6.000 3.636 3.271 3.898 . 0 0 "[ . 1 . 2]" 1
587 1 105 ASN HA 1 124 ARG HB2 5.500 . 6.000 3.504 3.250 3.731 . 0 0 "[ . 1 . 2]" 1
588 1 105 ASN HA 1 124 ARG QG 5.500 . 6.000 4.932 4.664 5.146 . 0 0 "[ . 1 . 2]" 1
589 1 105 ASN HB3 1 124 ARG HB3 5.500 . 6.000 3.908 3.098 4.802 . 0 0 "[ . 1 . 2]" 1
590 1 105 ASN HB2 1 124 ARG HB3 5.500 . 6.000 4.178 2.985 5.122 . 0 0 "[ . 1 . 2]" 1
591 1 105 ASN HB3 1 124 ARG HB2 5.500 . 6.000 4.724 4.068 5.391 . 0 0 "[ . 1 . 2]" 1
592 1 105 ASN HB2 1 124 ARG HB2 5.500 . 6.000 4.958 3.842 5.845 . 0 0 "[ . 1 . 2]" 1
593 1 106 GLU HA 1 107 MET HA 5.500 . 6.000 4.517 4.495 4.555 . 0 0 "[ . 1 . 2]" 1
594 1 106 GLU HA 1 107 MET HB3 5.500 . 6.000 4.964 4.357 5.450 . 0 0 "[ . 1 . 2]" 1
595 1 106 GLU HA 1 107 MET H 4.000 . 4.500 2.372 2.302 2.465 . 0 0 "[ . 1 . 2]" 1
596 1 106 GLU HB3 1 107 MET H 5.500 . 6.000 2.789 2.541 3.011 . 0 0 "[ . 1 . 2]" 1
597 1 106 GLU HB2 1 107 MET H 5.500 . 6.000 3.905 3.720 4.033 . 0 0 "[ . 1 . 2]" 1
598 1 101 GLU H 1 108 VAL HB 5.500 . 6.000 3.677 3.498 3.960 . 0 0 "[ . 1 . 2]" 1
599 1 107 MET HA 1 108 VAL HB 4.000 . 4.500 4.476 4.452 4.502 0.002 3 0 "[ . 1 . 2]" 1
600 1 107 MET HA 1 108 VAL H 4.000 . 4.500 2.255 2.241 2.269 . 0 0 "[ . 1 . 2]" 1
601 1 100 GLN QB 1 109 GLU HG2 4.000 . 4.500 1.985 1.550 2.337 0.250 13 0 "[ . 1 . 2]" 1
602 1 11 GLN HA 1 120 ARG QG 5.500 . 6.000 3.764 3.327 4.574 . 0 0 "[ . 1 . 2]" 1
603 1 107 MET HA 1 109 GLU H 5.500 . 6.000 6.076 5.965 6.201 0.201 17 0 "[ . 1 . 2]" 1
604 1 98 HIS HA 1 110 THR HA 5.500 . 6.000 6.067 5.822 6.331 0.331 9 0 "[ . 1 . 2]" 1
605 1 99 GLU H 1 110 THR MG 5.500 . 6.000 4.555 2.602 5.443 . 0 0 "[ . 1 . 2]" 1
606 1 96 PHE HB3 1 111 ILE MG 5.500 . 6.000 5.302 4.998 5.610 . 0 0 "[ . 1 . 2]" 1
607 1 98 HIS HD2 1 111 ILE MD 4.000 . 4.500 2.075 1.981 2.274 . 0 0 "[ . 1 . 2]" 1
608 1 98 HIS HA 1 111 ILE HG13 5.500 . 6.000 3.750 3.481 3.918 . 0 0 "[ . 1 . 2]" 1
609 1 98 HIS HA 1 111 ILE HG12 5.500 . 6.000 2.260 2.000 2.403 . 0 0 "[ . 1 . 2]" 1
610 1 98 HIS HA 1 111 ILE MG 5.500 . 6.000 2.476 1.998 3.007 . 0 0 "[ . 1 . 2]" 1
611 1 109 GLU HB3 1 111 ILE MD 5.500 . 6.000 3.291 3.063 3.571 . 0 0 "[ . 1 . 2]" 1
612 1 109 GLU HG2 1 111 ILE MD 5.500 . 6.000 4.749 4.464 5.025 . 0 0 "[ . 1 . 2]" 1
613 1 110 THR HA 1 111 ILE HA 5.500 . 6.000 4.490 4.488 4.492 . 0 0 "[ . 1 . 2]" 1
614 1 110 THR HA 1 111 ILE MD 5.500 . 6.000 4.923 4.844 5.011 . 0 0 "[ . 1 . 2]" 1
615 1 110 THR HA 1 111 ILE HG12 5.500 . 6.000 4.999 4.854 5.115 . 0 0 "[ . 1 . 2]" 1
616 1 110 THR HA 1 111 ILE H 4.000 . 4.500 2.213 2.210 2.220 . 0 0 "[ . 1 . 2]" 1
617 1 110 THR MG 1 111 ILE H 5.500 . 6.000 3.226 2.759 4.110 . 0 0 "[ . 1 . 2]" 1
618 1 97 SER H 1 112 THR MG 5.500 . 6.000 4.370 2.443 5.084 . 0 0 "[ . 1 . 2]" 1
619 1 97 SER H 1 112 THR HB 5.500 . 6.000 4.087 3.248 5.458 . 0 0 "[ . 1 . 2]" 1
620 1 110 THR HA 1 119 ILE QG 5.500 . 6.000 3.388 3.207 3.520 . 0 0 "[ . 1 . 2]" 1
621 1 110 THR HB 1 119 ILE QG 5.500 . 6.000 4.730 3.468 5.245 . 0 0 "[ . 1 . 2]" 1
622 1 111 ILE HA 1 112 THR HA 5.500 . 6.000 4.484 4.482 4.488 . 0 0 "[ . 1 . 2]" 1
623 1 111 ILE MG 1 112 THR H 5.500 . 6.000 2.679 2.447 2.810 . 0 0 "[ . 1 . 2]" 1
624 1 17 PHE QE 1 113 PHE HB2 5.500 . 6.000 2.665 2.244 3.405 . 0 0 "[ . 1 . 2]" 1
625 1 20 ALA MB 1 21 LEU H 5.500 . 6.000 2.685 2.428 2.879 . 0 0 "[ . 1 . 2]" 1
626 1 21 LEU QD 1 113 PHE HD2 5.500 . 6.000 2.818 2.345 3.553 . 0 0 "[ . 1 . 2]" 1
627 1 96 PHE HA 1 113 PHE HA 4.000 . 4.500 3.014 2.941 3.101 . 0 0 "[ . 1 . 2]" 1
628 1 96 PHE HB3 1 113 PHE HA 5.500 . 6.000 4.495 4.164 4.940 . 0 0 "[ . 1 . 2]" 1
629 1 96 PHE HA 1 113 PHE HB3 5.500 . 6.000 5.173 4.975 5.485 . 0 0 "[ . 1 . 2]" 1
630 1 96 PHE HB3 1 113 PHE HB3 5.500 . 6.000 5.570 5.304 5.889 . 0 0 "[ . 1 . 2]" 1
631 1 96 PHE HB2 1 113 PHE HB3 5.500 . 6.000 4.956 4.873 5.058 . 0 0 "[ . 1 . 2]" 1
632 1 111 ILE HB 1 113 PHE HB2 5.500 . 6.000 5.303 4.984 5.452 . 0 0 "[ . 1 . 2]" 1
633 1 112 THR HB 1 113 PHE H 5.500 . 6.000 3.951 3.281 4.273 . 0 0 "[ . 1 . 2]" 1
634 1 112 THR MG 1 113 PHE H 5.500 . 6.000 3.068 2.422 4.100 . 0 0 "[ . 1 . 2]" 1
635 1 20 ALA HA 1 114 GLY HA3 5.500 . 6.000 4.371 3.668 4.740 . 0 0 "[ . 1 . 2]" 1
636 1 20 ALA MB 1 114 GLY HA3 5.500 . 6.000 2.402 1.851 2.946 . 0 0 "[ . 1 . 2]" 1
637 1 21 LEU HA 1 114 GLY HA3 5.500 . 6.000 6.000 5.805 6.086 0.086 8 0 "[ . 1 . 2]" 1
638 1 113 PHE HE1 1 114 GLY HA3 5.500 . 6.000 4.143 3.966 4.376 . 0 0 "[ . 1 . 2]" 1
639 1 113 PHE HA 1 114 GLY HA2 5.500 . 6.000 4.494 4.491 4.497 . 0 0 "[ . 1 . 2]" 1
640 1 17 PHE HA 1 116 VAL MG2 5.500 . 6.000 3.598 3.216 4.311 . 0 0 "[ . 1 . 2]" 1
641 1 17 PHE QD 1 116 VAL MG2 5.500 . 6.000 4.613 3.903 5.069 . 0 0 "[ . 1 . 2]" 1
642 1 20 ALA MB 1 116 VAL MG1 5.500 . 6.000 3.364 3.127 3.650 . 0 0 "[ . 1 . 2]" 1
643 1 20 ALA HA 1 116 VAL MG2 5.500 . 6.000 4.589 4.220 4.858 . 0 0 "[ . 1 . 2]" 1
644 1 20 ALA MB 1 116 VAL H 5.500 . 6.000 4.044 3.663 4.260 . 0 0 "[ . 1 . 2]" 1
645 1 112 THR MG 1 116 VAL H 5.500 . 6.000 4.086 3.257 5.671 . 0 0 "[ . 1 . 2]" 1
646 1 114 GLY HA3 1 116 VAL MG2 5.500 . 6.000 3.409 3.282 3.622 . 0 0 "[ . 1 . 2]" 1
647 1 114 GLY HA3 1 116 VAL H 5.500 . 6.000 3.588 3.500 3.701 . 0 0 "[ . 1 . 2]" 1
648 1 115 GLY H 1 116 VAL HB 5.500 . 6.000 4.884 4.827 4.929 . 0 0 "[ . 1 . 2]" 1
649 1 110 THR HA 1 117 THR MG 4.000 . 4.500 3.885 3.766 4.095 . 0 0 "[ . 1 . 2]" 1
650 1 112 THR HA 1 117 THR HA 4.000 . 4.500 1.977 1.883 2.078 . 0 0 "[ . 1 . 2]" 1
651 1 112 THR MG 1 117 THR HA 5.500 . 6.000 3.088 2.383 4.429 . 0 0 "[ . 1 . 2]" 1
652 1 11 GLN QB 1 118 LEU QD . . 4.500 2.888 2.498 3.149 . 0 0 "[ . 1 . 2]" 1
653 1 14 TYR HA 1 118 LEU QD 4.000 . 4.500 1.886 1.757 2.161 0.043 1 0 "[ . 1 . 2]" 1
654 1 14 TYR HB3 1 118 LEU QD 5.500 . 6.000 3.959 3.700 4.276 . 0 0 "[ . 1 . 2]" 1
655 1 14 TYR HB2 1 118 LEU QD . . 4.500 3.033 2.626 3.452 . 0 0 "[ . 1 . 2]" 1
656 1 17 PHE HB2 1 118 LEU HB3 5.500 . 6.000 3.902 3.606 4.517 . 0 0 "[ . 1 . 2]" 1
657 1 17 PHE HB2 1 118 LEU HB2 5.500 . 6.000 2.226 1.865 2.807 . 0 0 "[ . 1 . 2]" 1
658 1 17 PHE HB3 1 118 LEU QD 5.500 . 6.000 2.405 1.925 2.986 . 0 0 "[ . 1 . 2]" 1
659 1 17 PHE HB2 1 118 LEU QD 5.500 . 6.000 2.606 2.259 3.245 . 0 0 "[ . 1 . 2]" 1
660 1 17 PHE QD 1 118 LEU QD 5.500 . 6.000 2.353 1.860 3.059 . 0 0 "[ . 1 . 2]" 1
661 1 111 ILE HB 1 118 LEU HB3 5.500 . 6.000 2.627 2.386 2.774 . 0 0 "[ . 1 . 2]" 1
662 1 111 ILE HB 1 118 LEU HB2 5.500 . 6.000 4.173 3.983 4.304 . 0 0 "[ . 1 . 2]" 1
663 1 111 ILE MD 1 118 LEU QD 5.500 . 6.000 3.020 2.654 3.175 . 0 0 "[ . 1 . 2]" 1
664 1 12 GLU HB3 1 119 ILE MG 5.500 . 6.000 4.533 4.191 5.762 . 0 0 "[ . 1 . 2]" 1
665 1 109 GLU H 1 119 ILE MG 5.500 . 6.000 3.955 3.720 4.191 . 0 0 "[ . 1 . 2]" 1
666 1 110 THR HA 1 119 ILE MD 5.500 . 6.000 5.043 4.873 5.152 . 0 0 "[ . 1 . 2]" 1
667 1 111 ILE H 1 119 ILE HG13 5.500 . 6.000 4.889 4.632 5.105 . 0 0 "[ . 1 . 2]" 1
668 1 111 ILE H 1 119 ILE HG12 5.500 . 6.000 4.965 4.762 5.202 . 0 0 "[ . 1 . 2]" 1
669 1 111 ILE H 1 119 ILE MG 5.500 . 6.000 5.547 5.454 5.657 . 0 0 "[ . 1 . 2]" 1
670 1 117 THR MG 1 119 ILE MD 5.500 . 6.000 3.508 3.320 3.681 . 0 0 "[ . 1 . 2]" 1
671 1 117 THR HA 1 119 ILE HG13 5.500 . 6.000 5.572 5.432 5.732 . 0 0 "[ . 1 . 2]" 1
672 1 118 LEU HA 1 119 ILE HB 5.500 . 6.000 4.461 4.415 4.523 . 0 0 "[ . 1 . 2]" 1
673 1 118 LEU QD 1 119 ILE HB 4.000 . 4.500 4.042 3.825 4.343 . 0 0 "[ . 1 . 2]" 1
674 1 118 LEU HA 1 119 ILE H 4.000 . 4.500 2.291 2.249 2.339 . 0 0 "[ . 1 . 2]" 1
675 1 118 LEU HB3 1 119 ILE H 4.000 . 4.500 4.066 3.901 4.257 . 0 0 "[ . 1 . 2]" 1
676 1 118 LEU QD 1 120 ARG HA 4.000 . 4.500 4.014 3.630 4.203 . 0 0 "[ . 1 . 2]" 1
677 1 9 TYR QE 1 121 ARG QB . . 3.300 2.999 2.261 4.869 1.569 17 4 "[ . 1 *-+ *2]" 1
678 1 10 ALA H 1 121 ARG QB . . 3.300 3.252 3.022 3.636 0.336 17 0 "[ . 1 . 2]" 1
679 1 10 ALA MB 1 121 ARG HD2 5.500 . 6.000 2.828 1.622 3.679 0.178 19 0 "[ . 1 . 2]" 1
680 1 108 VAL MG1 1 121 ARG HG2 5.500 . 6.000 3.368 2.789 4.773 . 0 0 "[ . 1 . 2]" 1
681 1 119 ILE MG 1 121 ARG HG3 5.500 . 6.000 3.176 2.467 5.295 . 0 0 "[ . 1 . 2]" 1
682 1 120 ARG HA 1 121 ARG QB 5.500 . 6.000 4.242 4.078 4.745 . 0 0 "[ . 1 . 2]" 1
683 1 6 TRP HB3 1 122 SER HB3 5.500 . 6.000 2.105 1.907 3.419 . 0 0 "[ . 1 . 2]" 1
684 1 6 TRP HE3 1 122 SER HB3 5.500 . 6.000 3.599 2.905 4.988 . 0 0 "[ . 1 . 2]" 1
685 1 6 TRP HB3 1 122 SER HB2 5.500 . 6.000 2.512 2.096 3.381 . 0 0 "[ . 1 . 2]" 1
686 1 8 VAL HA 1 122 SER HB3 5.500 . 6.000 3.531 2.435 4.362 . 0 0 "[ . 1 . 2]" 1
687 1 9 TYR HB2 1 122 SER HA 5.500 . 6.000 5.169 2.742 5.797 . 0 0 "[ . 1 . 2]" 1
688 1 9 TYR QD 1 122 SER HA . . 3.300 2.521 2.026 2.895 . 0 0 "[ . 1 . 2]" 1
689 1 10 ALA H 1 122 SER HA 5.500 . 6.000 4.433 4.201 4.954 . 0 0 "[ . 1 . 2]" 1
690 1 106 GLU HA 1 122 SER H 5.500 . 6.000 5.125 4.981 5.267 . 0 0 "[ . 1 . 2]" 1
691 1 107 MET HB3 1 122 SER HB3 5.500 . 6.000 3.615 1.935 4.264 . 0 0 "[ . 1 . 2]" 1
692 1 107 MET HB3 1 122 SER HB2 5.500 . 6.000 2.269 1.786 3.914 0.014 19 0 "[ . 1 . 2]" 1
693 1 107 MET HB2 1 122 SER HB2 5.500 . 6.000 3.060 2.161 4.686 . 0 0 "[ . 1 . 2]" 1
694 1 99 GLU HB2 1 110 THR HB 5.500 . 6.000 3.595 2.228 5.228 . 0 0 "[ . 1 . 2]" 1
695 1 121 ARG HG2 1 122 SER HA 5.500 . 6.000 6.182 6.007 6.356 0.356 13 0 "[ . 1 . 2]" 1
696 1 121 ARG HA 1 122 SER HB3 5.500 . 6.000 5.589 4.724 5.700 . 0 0 "[ . 1 . 2]" 1
697 1 121 ARG QB 1 122 SER H 5.500 . 6.000 3.365 3.063 3.464 . 0 0 "[ . 1 . 2]" 1
698 1 6 TRP HE3 1 123 LYS HA 5.500 . 6.000 2.957 2.718 3.199 . 0 0 "[ . 1 . 2]" 1
699 1 6 TRP HA 1 123 LYS H 5.500 . 6.000 4.006 3.571 4.538 . 0 0 "[ . 1 . 2]" 1
700 1 9 TYR QE 1 123 LYS HA 5.500 . 6.000 3.164 1.166 4.226 0.634 17 3 "[ . 1 - + *2]" 1
701 1 9 TYR QD 1 123 LYS HB2 . . 4.500 2.929 2.335 4.222 . 0 0 "[ . 1 . 2]" 1
702 1 9 TYR QE 1 123 LYS HB2 . . 3.300 2.636 1.845 3.454 0.154 14 0 "[ . 1 . 2]" 1
703 1 9 TYR QD 1 123 LYS HD2 . . 4.500 4.247 3.562 4.593 0.093 2 0 "[ . 1 . 2]" 1
704 1 9 TYR QD 1 123 LYS HG3 5.500 . 6.000 4.904 3.401 5.360 . 0 0 "[ . 1 . 2]" 1
705 1 106 GLU HA 1 123 LYS HA 4.000 . 4.500 2.312 2.044 2.549 . 0 0 "[ . 1 . 2]" 1
706 1 106 GLU HB3 1 123 LYS HA 5.500 . 6.000 4.273 3.952 4.569 . 0 0 "[ . 1 . 2]" 1
707 1 106 GLU HA 1 123 LYS HB2 5.500 . 6.000 4.445 4.060 4.933 . 0 0 "[ . 1 . 2]" 1
708 1 107 MET H 1 123 LYS HA 5.500 . 6.000 3.160 3.058 3.304 . 0 0 "[ . 1 . 2]" 1
709 1 122 SER HA 1 123 LYS HB2 5.500 . 6.000 4.229 3.993 5.651 . 0 0 "[ . 1 . 2]" 1
710 1 122 SER HB3 1 123 LYS H 5.500 . 6.000 2.985 2.688 3.736 . 0 0 "[ . 1 . 2]" 1
711 1 122 SER HB2 1 123 LYS H 5.500 . 6.000 3.863 2.580 4.318 . 0 0 "[ . 1 . 2]" 1
712 1 6 TRP HA 1 124 ARG HA 4.000 . 4.500 2.630 1.971 2.915 . 0 0 "[ . 1 . 2]" 1
713 1 6 TRP HA 1 124 ARG HB3 5.500 . 6.000 5.523 4.969 5.744 . 0 0 "[ . 1 . 2]" 1
714 1 6 TRP HE3 1 124 ARG HB3 5.500 . 6.000 4.872 4.664 5.350 . 0 0 "[ . 1 . 2]" 1
715 1 6 TRP HE3 1 124 ARG HB2 5.500 . 6.000 3.600 3.314 4.000 . 0 0 "[ . 1 . 2]" 1
716 1 6 TRP HZ3 1 124 ARG HD3 5.500 . 6.000 5.189 4.180 5.919 . 0 0 "[ . 1 . 2]" 1
717 1 6 TRP HZ3 1 124 ARG HD2 5.500 . 6.000 4.883 4.099 6.020 0.020 3 0 "[ . 1 . 2]" 1
718 1 6 TRP HE3 1 124 ARG HG2 5.500 . 6.000 5.929 5.766 6.002 0.002 5 0 "[ . 1 . 2]" 1
719 1 123 LYS HA 1 124 ARG HB3 5.500 . 6.000 4.768 4.682 5.026 . 0 0 "[ . 1 . 2]" 1
720 1 5 THR MG 1 125 VAL HB 5.500 . 6.000 4.091 2.643 6.022 0.022 5 0 "[ . 1 . 2]" 1
721 1 5 THR MG 1 125 VAL MG2 4.000 . 4.500 3.461 2.060 4.607 0.107 7 0 "[ . 1 . 2]" 1
722 1 6 TRP HA 1 125 VAL MG1 5.500 . 6.000 4.943 3.370 6.109 0.109 2 0 "[ . 1 . 2]" 1
723 1 6 TRP HA 1 125 VAL MG2 5.500 . 6.000 4.202 3.291 6.113 0.113 14 0 "[ . 1 . 2]" 1
724 1 37 ILE HG12 1 125 VAL MG1 5.500 . 6.000 5.294 3.841 5.932 . 0 0 "[ . 1 . 2]" 1
725 1 123 LYS HB2 1 124 ARG H 5.500 . 6.000 4.084 3.059 4.297 . 0 0 "[ . 1 . 2]" 1
726 1 124 ARG HA 1 125 VAL MG1 5.500 . 6.000 4.451 3.410 5.464 . 0 0 "[ . 1 . 2]" 1
727 1 124 ARG HD3 1 125 VAL H 5.500 . 6.000 5.315 5.137 5.446 . 0 0 "[ . 1 . 2]" 1
728 1 124 ARG HD2 1 125 VAL H 5.500 . 6.000 5.363 5.080 5.542 . 0 0 "[ . 1 . 2]" 1
729 1 124 ARG HG3 1 125 VAL H 5.500 . 6.000 3.122 3.013 3.403 . 0 0 "[ . 1 . 2]" 1
730 1 124 ARG HG2 1 125 VAL H 5.500 . 6.000 2.920 2.726 3.068 . 0 0 "[ . 1 . 2]" 1
731 1 20 ALA HA 1 22 ALA H 4.000 . 4.500 3.725 3.577 3.881 . 0 0 "[ . 1 . 2]" 1
732 1 21 LEU H 1 22 ALA HA 5.500 . 6.000 5.075 5.015 5.128 . 0 0 "[ . 1 . 2]" 1
733 1 21 LEU H 1 22 ALA MB 5.500 . 6.000 4.698 4.660 4.736 . 0 0 "[ . 1 . 2]" 1
734 1 22 ALA MB 1 23 LEU HA 5.500 . 6.000 4.119 4.073 4.191 . 0 0 "[ . 1 . 2]" 1
735 1 21 LEU HA 1 22 ALA MB 5.500 . 6.000 3.660 3.574 3.737 . 0 0 "[ . 1 . 2]" 1
736 1 31 ALA HA 1 34 ILE MD 4.000 . 4.500 1.982 1.903 2.101 . 0 0 "[ . 1 . 2]" 1
737 1 31 ALA HA 1 34 ILE QG 4.000 . 4.500 2.729 2.496 2.961 . 0 0 "[ . 1 . 2]" 1
738 1 31 ALA HA 1 34 ILE HB 4.000 . 4.500 2.577 2.375 2.878 . 0 0 "[ . 1 . 2]" 1
739 1 31 ALA HA 1 34 ILE H 5.500 . 6.000 3.829 3.620 4.131 . 0 0 "[ . 1 . 2]" 1
740 1 4 GLY HA3 1 6 TRP HZ2 5.500 . 6.000 4.466 4.029 4.849 . 0 0 "[ . 1 . 2]" 1
741 1 44 GLY HA3 1 46 ASP H 4.000 . 4.500 3.694 3.638 3.743 . 0 0 "[ . 1 . 2]" 1
742 1 44 GLY HA2 1 46 ASP H 4.000 . 4.500 4.701 4.633 4.771 0.271 1 0 "[ . 1 . 2]" 1
743 1 43 LYS HB2 1 44 GLY HA3 5.500 . 6.000 5.073 4.749 5.197 . 0 0 "[ . 1 . 2]" 1
744 1 65 GLY HA2 1 81 THR MG 4.000 . 4.500 3.487 2.943 4.777 0.277 19 0 "[ . 1 . 2]" 1
745 1 64 LEU QB 1 65 GLY HA3 5.500 . 6.000 4.160 4.109 4.311 . 0 0 "[ . 1 . 2]" 1
746 1 64 LEU QB 1 65 GLY HA2 5.500 . 6.000 4.671 4.572 5.019 . 0 0 "[ . 1 . 2]" 1
747 1 84 LEU QB 1 87 GLY HA3 5.500 . 6.000 5.758 5.498 6.060 0.060 7 0 "[ . 1 . 2]" 1
748 1 84 LEU QB 1 87 GLY HA2 5.500 . 6.000 4.192 3.932 4.563 . 0 0 "[ . 1 . 2]" 1
749 1 84 LEU MD2 1 87 GLY HA3 5.500 . 6.000 4.755 3.788 5.164 . 0 0 "[ . 1 . 2]" 1
750 1 84 LEU MD2 1 87 GLY HA2 5.500 . 6.000 3.339 2.376 3.928 . 0 0 "[ . 1 . 2]" 1
751 1 75 GLY HA3 1 76 LYS QG 5.500 . 6.000 4.888 4.732 5.191 . 0 0 "[ . 1 . 2]" 1
752 1 75 GLY HA2 1 76 LYS QG 5.500 . 6.000 5.379 5.260 5.522 . 0 0 "[ . 1 . 2]" 1
753 1 75 GLY HA3 1 76 LYS H 4.000 . 4.500 3.512 3.449 3.581 . 0 0 "[ . 1 . 2]" 1
754 1 74 ASP H 1 75 GLY HA3 5.500 . 6.000 5.109 5.039 5.180 . 0 0 "[ . 1 . 2]" 1
755 1 74 ASP H 1 75 GLY HA2 5.500 . 6.000 4.820 4.739 4.899 . 0 0 "[ . 1 . 2]" 1
756 1 104 GLY HA3 1 105 ASN H 4.000 . 4.500 2.214 2.188 2.266 . 0 0 "[ . 1 . 2]" 1
757 1 104 GLY HA2 1 105 ASN H 4.000 . 4.500 3.405 3.315 3.482 . 0 0 "[ . 1 . 2]" 1
758 1 104 GLY HA3 1 106 GLU H 5.500 . 6.000 3.659 3.506 3.830 . 0 0 "[ . 1 . 2]" 1
759 1 104 GLY HA2 1 106 GLU H 5.500 . 6.000 4.659 4.515 4.766 . 0 0 "[ . 1 . 2]" 1
760 1 104 GLY HA3 1 105 ASN HA 5.500 . 6.000 4.468 4.462 4.481 . 0 0 "[ . 1 . 2]" 1
761 1 104 GLY HA2 1 105 ASN HA 5.500 . 6.000 4.549 4.512 4.580 . 0 0 "[ . 1 . 2]" 1
762 1 103 LYS HA 1 104 GLY HA3 5.500 . 6.000 4.420 4.415 4.424 . 0 0 "[ . 1 . 2]" 1
763 1 103 LYS HA 1 104 GLY HA2 5.500 . 6.000 4.512 4.502 4.520 . 0 0 "[ . 1 . 2]" 1
764 1 114 GLY HA2 1 115 GLY HA2 5.500 . 6.000 4.867 4.849 4.883 . 0 0 "[ . 1 . 2]" 1
765 1 113 PHE HD1 1 114 GLY HA3 4.000 . 4.500 2.864 2.772 3.328 . 0 0 "[ . 1 . 2]" 1
766 1 13 ASN HB2 1 14 TYR H 4.000 . 4.500 3.996 3.410 4.418 . 0 0 "[ . 1 . 2]" 1
767 1 13 ASN HB3 1 14 TYR H 4.000 . 4.500 4.289 3.368 4.528 0.028 20 0 "[ . 1 . 2]" 1
768 1 13 ASN HB2 1 118 LEU HA 4.000 . 4.500 3.513 2.947 4.741 0.241 17 0 "[ . 1 . 2]" 1
769 1 13 ASN HB3 1 118 LEU HA 4.000 . 4.500 4.006 2.855 4.794 0.294 15 0 "[ . 1 . 2]" 1
770 1 13 ASN HB2 1 16 GLU HB2 4.000 . 4.500 4.127 3.618 4.419 . 0 0 "[ . 1 . 2]" 1
771 1 13 ASN HB3 1 16 GLU HB2 4.000 . 4.500 2.890 2.300 3.992 . 0 0 "[ . 1 . 2]" 1
772 1 13 ASN HB2 1 118 LEU QB 5.500 . 6.000 4.756 4.123 6.022 0.022 17 0 "[ . 1 . 2]" 1
773 1 13 ASN HB3 1 118 LEU QB 5.500 . 6.000 4.750 3.906 5.280 . 0 0 "[ . 1 . 2]" 1
774 1 13 ASN HB2 1 116 VAL MG1 5.500 . 6.000 4.489 3.782 5.092 . 0 0 "[ . 1 . 2]" 1
775 1 13 ASN HB3 1 116 VAL MG1 5.500 . 6.000 3.664 2.946 4.556 . 0 0 "[ . 1 . 2]" 1
776 1 27 LEU HA 1 31 ALA H 5.500 . 6.000 4.038 3.800 4.513 . 0 0 "[ . 1 . 2]" 1
777 1 26 ASP HB3 1 27 LEU H 4.000 . 4.500 3.270 2.479 3.927 . 0 0 "[ . 1 . 2]" 1
778 1 26 ASP HB2 1 27 LEU H 4.000 . 4.500 3.323 2.659 3.938 . 0 0 "[ . 1 . 2]" 1
779 1 26 ASP HB3 1 28 ILE H 5.500 . 6.000 5.284 4.910 5.794 . 0 0 "[ . 1 . 2]" 1
780 1 26 ASP HB2 1 28 ILE H 5.500 . 6.000 5.329 4.804 5.937 . 0 0 "[ . 1 . 2]" 1
781 1 24 PRO QB 1 26 ASP HB3 5.500 . 6.000 3.744 2.700 4.478 . 0 0 "[ . 1 . 2]" 1
782 1 24 PRO QB 1 26 ASP HB2 5.500 . 6.000 3.365 2.756 4.595 . 0 0 "[ . 1 . 2]" 1
783 1 25 GLU QB 1 26 ASP HB3 5.500 . 6.000 5.192 4.743 6.062 0.062 12 0 "[ . 1 . 2]" 1
784 1 25 GLU QB 1 26 ASP HB2 5.500 . 6.000 4.456 3.935 6.028 0.028 15 0 "[ . 1 . 2]" 1
785 1 43 LYS H 1 46 ASP HB3 5.500 . 6.000 4.182 3.645 5.418 . 0 0 "[ . 1 . 2]" 1
786 1 43 LYS H 1 46 ASP HB2 5.500 . 6.000 4.969 3.699 5.678 . 0 0 "[ . 1 . 2]" 1
787 1 46 ASP HB3 1 47 PHE H 5.500 . 6.000 3.662 2.784 4.098 . 0 0 "[ . 1 . 2]" 1
788 1 46 ASP HB2 1 47 PHE H 5.500 . 6.000 4.112 3.853 4.249 . 0 0 "[ . 1 . 2]" 1
789 1 45 ASP QB 1 63 THR MG 4.000 . 4.500 3.146 2.988 3.270 . 0 0 "[ . 1 . 2]" 1
790 1 45 ASP QB 1 64 LEU H 4.000 . 4.500 3.700 3.194 3.863 . 0 0 "[ . 1 . 2]" 1
791 1 32 ARG QG 1 33 ASP HB3 4.000 . 4.500 3.584 2.354 4.190 . 0 0 "[ . 1 . 2]" 1
792 1 32 ARG QG 1 33 ASP HB2 4.000 . 4.500 2.960 2.245 4.287 . 0 0 "[ . 1 . 2]" 1
793 1 69 ASP HA 1 70 ILE QG 4.000 . 4.500 3.838 3.519 4.083 . 0 0 "[ . 1 . 2]" 1
794 1 69 ASP HA 1 70 ILE MD 5.500 . 6.000 4.817 4.627 5.038 . 0 0 "[ . 1 . 2]" 1
795 1 69 ASP HA 1 79 LYS HA 2.800 . 3.300 2.407 2.275 2.561 . 0 0 "[ . 1 . 2]" 1
796 1 69 ASP HA 1 80 CYS H 5.500 . 6.000 3.982 3.754 4.204 . 0 0 "[ . 1 . 2]" 1
797 1 8 VAL MG1 1 35 LYS HA 4.000 . 4.500 3.462 2.386 4.239 . 0 0 "[ . 1 . 2]" 1
798 1 23 LEU QB 1 74 ASP HB3 5.500 . 6.000 5.303 4.359 6.297 0.297 7 0 "[ . 1 . 2]" 1
799 1 23 LEU QB 1 74 ASP HB2 5.500 . 6.000 4.848 4.118 5.801 . 0 0 "[ . 1 . 2]" 1
800 1 74 ASP HB3 1 76 LYS QG 5.500 . 6.000 5.001 3.753 5.958 . 0 0 "[ . 1 . 2]" 1
801 1 74 ASP HB2 1 76 LYS QG 5.500 . 6.000 4.828 4.233 6.117 0.117 2 0 "[ . 1 . 2]" 1
802 1 27 LEU MD2 1 74 ASP HB3 4.000 . 4.500 2.798 2.075 3.404 . 0 0 "[ . 1 . 2]" 1
803 1 27 LEU MD2 1 74 ASP HB2 4.000 . 4.500 2.345 1.958 2.907 . 0 0 "[ . 1 . 2]" 1
804 1 23 LEU MD2 1 74 ASP HB3 5.500 . 6.000 2.846 2.085 3.593 . 0 0 "[ . 1 . 2]" 1
805 1 86 ASN HB3 1 88 LYS H 5.500 . 6.000 4.670 4.027 5.560 . 0 0 "[ . 1 . 2]" 1
806 1 86 ASN HB2 1 88 LYS H 5.500 . 6.000 4.922 4.014 5.615 . 0 0 "[ . 1 . 2]" 1
807 1 86 ASN HB3 1 87 GLY H 5.500 . 6.000 4.126 3.748 4.517 . 0 0 "[ . 1 . 2]" 1
808 1 86 ASN HB2 1 87 GLY H 5.500 . 6.000 4.221 3.775 4.532 . 0 0 "[ . 1 . 2]" 1
809 1 99 GLU H 1 111 ILE HA 4.000 . 4.500 3.173 2.802 3.516 . 0 0 "[ . 1 . 2]" 1
810 1 12 GLU HA 1 13 ASN H 2.800 . 3.300 2.297 2.213 2.382 . 0 0 "[ . 1 . 2]" 1
811 1 12 GLU HA 1 14 TYR H 4.000 . 4.500 3.407 3.299 3.637 . 0 0 "[ . 1 . 2]" 1
812 1 16 GLU HA 1 17 PHE H 5.500 . 6.000 3.589 3.574 3.592 . 0 0 "[ . 1 . 2]" 1
813 1 16 GLU HA 1 19 LYS HD2 4.000 . 4.500 2.587 2.052 3.963 . 0 0 "[ . 1 . 2]" 1
814 1 25 GLU HA 1 28 ILE QG 5.500 . 6.000 3.194 2.768 3.486 . 0 0 "[ . 1 . 2]" 1
815 1 25 GLU HA 1 28 ILE HB 2.800 . 3.300 2.300 2.006 2.435 . 0 0 "[ . 1 . 2]" 1
816 1 24 PRO HA 1 25 GLU HA 5.500 . 6.000 4.454 4.443 4.471 . 0 0 "[ . 1 . 2]" 1
817 1 7 GLN HB2 1 37 ILE HA 5.500 . 6.000 4.670 4.107 5.998 . 0 0 "[ . 1 . 2]" 1
818 1 37 ILE HA 1 38 VAL H 2.800 . 3.300 2.415 2.338 2.545 . 0 0 "[ . 1 . 2]" 1
819 1 48 VAL HA 1 61 SER QB 5.500 . 6.000 3.487 3.257 3.684 . 0 0 "[ . 1 . 2]" 1
820 1 48 VAL HA 1 61 SER HA 2.800 . 3.300 2.346 2.150 2.720 . 0 0 "[ . 1 . 2]" 1
821 1 48 VAL HA 1 62 PHE H 5.500 . 6.000 3.302 3.084 3.774 . 0 0 "[ . 1 . 2]" 1
822 1 67 GLU HA 1 80 CYS H 4.000 . 4.500 4.167 3.880 4.499 . 0 0 "[ . 1 . 2]" 1
823 1 67 GLU HA 1 79 LYS QB 4.000 . 4.500 4.567 4.471 4.739 0.239 3 0 "[ . 1 . 2]" 1
824 1 67 GLU HA 1 81 THR MG 5.500 . 6.000 2.790 1.721 3.298 0.079 19 0 "[ . 1 . 2]" 1
825 1 108 VAL HA 1 121 ARG HA 4.000 . 4.500 2.267 1.840 2.412 . 0 0 "[ . 1 . 2]" 1
826 1 111 ILE H 1 119 ILE HA 4.000 . 4.500 3.913 3.818 4.076 . 0 0 "[ . 1 . 2]" 1
827 1 118 LEU HG 1 119 ILE HA 5.500 . 6.000 3.736 3.627 3.855 . 0 0 "[ . 1 . 2]" 1
828 1 108 VAL MG1 1 119 ILE HA 4.000 . 4.500 3.943 3.724 4.242 . 0 0 "[ . 1 . 2]" 1
829 1 109 GLU H 1 119 ILE HA 4.000 . 4.500 4.424 4.286 4.595 0.095 20 0 "[ . 1 . 2]" 1
830 1 7 GLN HB2 1 125 VAL MG1 4.000 . 4.500 3.583 2.111 4.593 0.093 18 0 "[ . 1 . 2]" 1
831 1 7 GLN HB2 1 125 VAL MG2 4.000 . 4.500 3.095 1.923 4.777 0.277 17 0 "[ . 1 . 2]" 1
832 1 39 GLU HB2 1 50 THR HB 5.500 3.300 6.000 3.454 3.226 3.681 0.074 19 0 "[ . 1 . 2]" 1
833 1 39 GLU HB3 1 49 VAL HA 5.500 . 6.000 4.602 4.071 4.932 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLU HB2 1 49 VAL HA 5.500 . 6.000 5.970 5.642 6.233 0.233 4 0 "[ . 1 . 2]" 1
835 1 7 GLN QG 1 37 ILE QG 5.500 . 6.000 2.471 1.931 2.981 . 0 0 "[ . 1 . 2]" 1
836 1 7 GLN QG 1 35 LYS QB 5.500 . 6.000 3.654 2.975 5.690 . 0 0 "[ . 1 . 2]" 1
837 1 50 THR MG 1 52 LYS QB 5.500 . 6.000 4.175 3.320 4.392 . 0 0 "[ . 1 . 2]" 1
838 1 12 GLU HA 1 118 LEU QD 5.500 . 6.000 4.426 4.195 4.725 . 0 0 "[ . 1 . 2]" 1
839 1 3 SER QB 1 41 GLN HA 4.000 . 4.500 3.233 2.950 3.919 . 0 0 "[ . 1 . 2]" 1
840 1 4 GLY H 1 41 GLN HA 4.000 . 4.500 3.624 3.494 3.810 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLN HB3 1 48 VAL H 4.000 . 4.500 3.906 3.636 4.576 0.076 14 0 "[ . 1 . 2]" 1
842 1 41 GLN HB2 1 48 VAL H 5.500 . 6.000 5.178 3.998 5.413 . 0 0 "[ . 1 . 2]" 1
843 1 12 GLU HB3 1 119 ILE H 4.000 . 4.500 3.907 3.409 4.862 0.362 16 0 "[ . 1 . 2]" 1
844 1 12 GLU HB2 1 119 ILE H 5.500 . 6.000 5.012 3.387 5.490 . 0 0 "[ . 1 . 2]" 1
845 1 12 GLU HB3 1 119 ILE HB 4.000 . 4.500 3.322 2.971 4.672 0.172 16 0 "[ . 1 . 2]" 1
846 1 12 GLU HB2 1 119 ILE HB 4.000 . 4.500 4.120 2.680 4.621 0.121 5 0 "[ . 1 . 2]" 1
847 1 20 ALA MB 1 116 VAL HB 4.000 . 4.500 2.999 2.688 3.184 . 0 0 "[ . 1 . 2]" 1
848 1 17 PHE HA 1 116 VAL HB 4.000 . 4.500 3.021 2.471 3.879 . 0 0 "[ . 1 . 2]" 1
849 1 17 PHE QD 1 116 VAL HB 4.000 . 4.500 3.310 2.583 4.038 . 0 0 "[ . 1 . 2]" 1
850 1 113 PHE H 1 116 VAL HB 4.000 . 4.500 3.272 3.200 3.363 . 0 0 "[ . 1 . 2]" 1
851 1 116 VAL HB 1 117 THR H 4.000 . 4.500 4.107 3.991 4.181 . 0 0 "[ . 1 . 2]" 1
852 1 34 ILE MG 1 54 PRO HG2 5.500 . 6.000 3.120 2.797 3.561 . 0 0 "[ . 1 . 2]" 1
853 1 13 ASN HA 1 16 GLU QB 4.000 . 4.500 2.773 2.544 3.081 . 0 0 "[ . 1 . 2]" 1
854 1 25 GLU QB 1 27 LEU H 5.500 . 6.000 4.581 4.381 4.928 . 0 0 "[ . 1 . 2]" 1
855 1 39 GLU HB3 1 50 THR H 4.000 . 4.500 3.174 2.478 3.591 . 0 0 "[ . 1 . 2]" 1
856 1 39 GLU HB2 1 50 THR H 5.500 . 6.000 4.335 4.031 4.661 . 0 0 "[ . 1 . 2]" 1
857 1 39 GLU HB3 1 50 THR MG 5.500 . 6.000 3.877 3.670 4.031 . 0 0 "[ . 1 . 2]" 1
858 1 39 GLU HB2 1 50 THR MG 5.500 . 6.000 4.227 3.963 4.494 . 0 0 "[ . 1 . 2]" 1
859 1 7 GLN QB 1 37 ILE QG 5.500 . 6.000 3.419 3.028 4.276 . 0 0 "[ . 1 . 2]" 1
860 1 39 GLU QG 1 40 ILE HA 4.000 . 4.500 4.303 4.057 4.473 . 0 0 "[ . 1 . 2]" 1
861 1 5 THR MG 1 39 GLU QG 5.500 . 6.000 2.796 1.814 3.501 . 0 0 "[ . 1 . 2]" 1
862 1 90 VAL HA 1 99 GLU HA 2.800 . 3.300 2.181 2.048 2.353 . 0 0 "[ . 1 . 2]" 1
863 1 89 LEU HA 1 90 VAL HA 5.500 . 6.000 4.523 4.494 4.557 . 0 0 "[ . 1 . 2]" 1
864 1 70 ILE MG 1 72 THR HA 5.500 . 6.000 4.007 3.904 4.117 . 0 0 "[ . 1 . 2]" 1
865 1 27 LEU MD1 1 31 ALA MB 5.500 . 6.000 2.680 2.474 2.943 . 0 0 "[ . 1 . 2]" 1
866 1 31 ALA MB 1 34 ILE MD 5.500 . 6.000 2.666 2.450 2.903 . 0 0 "[ . 1 . 2]" 1
867 1 34 ILE HB 1 36 PRO HD3 4.000 . 4.500 3.624 3.505 3.776 . 0 0 "[ . 1 . 2]" 1
868 1 35 LYS HG3 1 36 PRO HD3 4.000 . 4.500 4.631 4.562 4.727 0.227 14 0 "[ . 1 . 2]" 1
869 1 8 VAL MG2 1 36 PRO HB2 4.000 . 4.500 4.399 3.981 4.833 0.333 20 0 "[ . 1 . 2]" 1
870 1 34 ILE MG 1 36 PRO HB3 5.500 . 6.000 2.953 2.800 3.232 . 0 0 "[ . 1 . 2]" 1
871 1 53 THR HB 1 73 MET ME 5.500 . 6.000 4.719 4.091 5.460 . 0 0 "[ . 1 . 2]" 1
872 1 58 VAL HB 1 73 MET ME 5.500 . 6.000 4.533 3.889 5.761 . 0 0 "[ . 1 . 2]" 1
873 1 58 VAL MG2 1 73 MET ME 4.000 . 4.500 4.241 3.274 4.620 0.120 11 0 "[ . 1 . 2]" 1
874 1 10 ALA MB 1 11 GLN HA 5.500 . 6.000 4.016 3.887 4.088 . 0 0 "[ . 1 . 2]" 1
875 1 14 TYR QE 1 118 LEU QD 4.000 . 4.500 3.080 1.597 4.025 0.203 17 0 "[ . 1 . 2]" 1
876 1 9 TYR QE 1 121 ARG QD 4.000 . 4.500 3.690 2.968 5.277 0.777 15 4 "[ . 1 +** -2]" 1
877 1 17 PHE QE 1 111 ILE MG 4.000 . 4.500 2.476 2.118 2.777 . 0 0 "[ . 1 . 2]" 1
878 1 17 PHE QE 1 112 THR HA 5.500 . 6.000 2.949 2.418 3.533 . 0 0 "[ . 1 . 2]" 1
879 1 47 PHE QD 1 49 VAL QG 4.000 . 4.500 3.531 3.106 4.586 0.086 6 0 "[ . 1 . 2]" 1
880 1 47 PHE HZ 1 89 LEU MD2 5.500 . 6.000 6.358 6.188 6.550 0.550 1 1 "[+ . 1 . 2]" 1
881 1 47 PHE HZ 1 89 LEU MD1 5.500 . 6.000 3.819 3.599 4.334 . 0 0 "[ . 1 . 2]" 1
882 1 62 PHE QD 1 64 LEU HA 5.500 . 6.000 3.889 3.746 4.100 . 0 0 "[ . 1 . 2]" 1
883 1 62 PHE QE 1 64 LEU QD 5.500 . 6.000 2.973 2.608 3.485 . 0 0 "[ . 1 . 2]" 1
884 1 70 ILE HB 1 78 LEU MD2 4.000 . 4.500 3.934 3.686 4.212 . 0 0 "[ . 1 . 2]" 1
885 1 78 LEU MD2 1 79 LYS H 4.000 . 4.500 4.889 4.819 4.983 0.483 2 0 "[ . 1 . 2]" 1
886 1 12 GLU H 1 118 LEU QD 5.500 . 6.000 3.174 2.391 3.624 . 0 0 "[ . 1 . 2]" 1
887 1 6 TRP HA 1 122 SER QB 5.500 . 6.000 3.505 3.263 4.060 . 0 0 "[ . 1 . 2]" 1
888 1 8 VAL HA 1 122 SER HA 5.500 . 6.000 2.325 2.063 2.557 . 0 0 "[ . 1 . 2]" 1
889 1 8 VAL HA 1 9 TYR H 5.500 . 6.000 2.222 2.210 2.279 . 0 0 "[ . 1 . 2]" 1
890 1 111 ILE HB 1 118 LEU QD 5.500 . 6.000 3.309 3.001 3.584 . 0 0 "[ . 1 . 2]" 1
891 1 47 PHE QE 1 84 LEU MD1 5.500 . 6.000 2.547 1.818 3.147 . 0 0 "[ . 1 . 2]" 1
892 1 2 PHE QD 1 40 ILE MD 5.500 . 6.000 3.293 2.494 5.037 . 0 0 "[ . 1 . 2]" 1
893 1 8 VAL MG1 1 120 ARG HG3 5.500 . 6.000 3.262 1.861 4.716 . 0 0 "[ . 1 . 2]" 1
894 1 8 VAL MG2 1 120 ARG HG2 5.500 . 6.000 3.561 1.954 5.080 . 0 0 "[ . 1 . 2]" 1
895 1 8 VAL MG1 1 11 GLN HB3 4.000 . 4.500 3.796 2.830 5.024 0.524 16 1 "[ . 1 .+ 2]" 1
896 1 8 VAL MG2 1 36 PRO QB 5.500 . 6.000 4.187 3.746 4.605 . 0 0 "[ . 1 . 2]" 1
897 1 8 VAL MG1 1 36 PRO HD3 5.500 . 6.000 4.764 4.373 5.237 . 0 0 "[ . 1 . 2]" 1
898 1 8 VAL MG1 1 36 PRO HD2 5.500 . 6.000 3.368 3.030 3.812 . 0 0 "[ . 1 . 2]" 1
899 1 8 VAL MG2 1 36 PRO HD3 5.500 . 6.000 4.552 3.506 5.176 . 0 0 "[ . 1 . 2]" 1
900 1 11 GLN HA 1 120 ARG HA 4.000 . 4.500 2.721 2.515 3.056 . 0 0 "[ . 1 . 2]" 1
901 1 108 VAL HA 1 109 GLU QG 4.000 . 4.500 4.006 3.749 4.292 . 0 0 "[ . 1 . 2]" 1
902 1 107 MET QB 1 109 GLU QG 4.000 . 4.500 4.058 3.565 4.629 0.129 13 0 "[ . 1 . 2]" 1
903 1 62 PHE HZ 1 89 LEU MD2 5.500 . 6.000 3.390 2.514 3.951 . 0 0 "[ . 1 . 2]" 1
904 1 83 HIS H 1 89 LEU MD1 5.500 . 6.000 4.581 3.935 5.147 . 0 0 "[ . 1 . 2]" 1
905 1 84 LEU HA 1 89 LEU MD1 5.500 . 6.000 4.806 4.382 5.070 . 0 0 "[ . 1 . 2]" 1
906 1 21 LEU QD 1 23 LEU MD1 5.500 . 6.000 2.079 1.840 2.932 . 0 0 "[ . 1 . 2]" 1
907 1 21 LEU HG 1 23 LEU MD1 5.500 . 6.000 4.027 2.239 5.138 . 0 0 "[ . 1 . 2]" 1
908 1 23 LEU MD1 1 24 PRO HD2 5.500 . 6.000 3.487 2.691 3.929 . 0 0 "[ . 1 . 2]" 1
909 1 23 LEU MD2 1 74 ASP QB 5.500 . 6.000 2.334 1.907 2.954 . 0 0 "[ . 1 . 2]" 1
910 1 47 PHE HZ 1 84 LEU MD2 4.000 . 4.500 3.128 2.508 3.666 . 0 0 "[ . 1 . 2]" 1
911 1 45 ASP QB 1 64 LEU QD 5.500 . 6.000 3.846 3.470 4.052 . 0 0 "[ . 1 . 2]" 1
912 1 58 VAL MG2 1 73 MET HA 2.800 . 3.300 2.159 1.844 2.590 . 0 0 "[ . 1 . 2]" 1
913 1 45 ASP HA 1 64 LEU H 5.500 . 6.000 4.316 4.020 4.446 . 0 0 "[ . 1 . 2]" 1
914 1 2 PHE HA 1 6 TRP HZ2 4.000 . 4.500 3.311 2.851 3.679 . 0 0 "[ . 1 . 2]" 1
915 1 2 PHE HB3 1 6 TRP HZ2 5.500 . 6.000 5.657 5.328 6.072 0.072 12 0 "[ . 1 . 2]" 1
916 1 5 THR HA 1 6 TRP HD1 4.000 . 4.500 3.739 3.161 4.039 . 0 0 "[ . 1 . 2]" 1
917 1 6 TRP HA 1 6 TRP HE3 4.000 . 4.500 2.756 2.497 3.222 . 0 0 "[ . 1 . 2]" 1
918 1 6 TRP HB3 1 6 TRP HE3 4.000 . 4.500 2.773 2.621 2.878 . 0 0 "[ . 1 . 2]" 1
919 1 6 TRP H 1 6 TRP HD1 2.800 . 3.300 3.077 2.810 3.375 0.075 15 0 "[ . 1 . 2]" 1
920 1 6 TRP HE3 1 7 GLN H 5.500 . 6.000 3.671 3.432 3.968 . 0 0 "[ . 1 . 2]" 1
921 1 8 VAL HA 1 9 TYR QE 5.500 . 6.000 5.111 4.637 6.588 0.588 16 3 "[ . 1 -+ *2]" 1
922 1 9 TYR H 1 9 TYR QE 5.500 . 6.000 4.230 3.731 5.542 . 0 0 "[ . 1 . 2]" 1
923 1 9 TYR QD 1 10 ALA MB 4.000 . 4.500 2.532 1.820 4.197 . 0 0 "[ . 1 . 2]" 1
924 1 11 GLN HB2 1 14 TYR QD 4.000 . 4.500 3.110 2.336 4.019 . 0 0 "[ . 1 . 2]" 1
925 1 14 TYR H 1 14 TYR QD 4.000 . 4.500 4.022 3.419 4.139 . 0 0 "[ . 1 . 2]" 1
926 1 17 PHE QD 1 18 LEU QD 5.500 . 6.000 2.822 1.652 3.889 0.148 9 0 "[ . 1 . 2]" 1
927 1 17 PHE QD 1 18 LEU HG 4.000 . 4.500 3.044 2.056 4.677 0.177 5 0 "[ . 1 . 2]" 1
928 1 17 PHE HZ 1 21 LEU QD 5.500 . 6.000 3.132 2.925 3.502 . 0 0 "[ . 1 . 2]" 1
929 1 14 TYR QE 1 31 ALA MB 4.000 . 4.500 3.753 2.996 4.606 0.106 3 0 "[ . 1 . 2]" 1
930 1 14 TYR QD 1 32 ARG HA 4.000 . 4.500 3.213 2.291 3.810 . 0 0 "[ . 1 . 2]" 1
931 1 14 TYR QE 1 32 ARG HA 2.800 . 3.300 2.816 2.059 4.331 1.031 17 2 "[ - . 1 . + 2]" 1
932 1 14 TYR QD 1 32 ARG HB2 5.500 . 6.000 4.517 4.011 4.999 . 0 0 "[ . 1 . 2]" 1
933 1 14 TYR QE 1 34 ILE HB 5.500 . 6.000 5.003 4.432 5.458 . 0 0 "[ . 1 . 2]" 1
934 1 6 TRP HD1 1 39 GLU HA 4.000 . 4.500 3.983 3.423 4.428 . 0 0 "[ . 1 . 2]" 1
935 1 6 TRP HD1 1 40 ILE HB 4.000 . 4.500 3.462 3.076 3.670 . 0 0 "[ . 1 . 2]" 1
936 1 6 TRP HD1 1 40 ILE MD 4.000 . 4.500 2.344 1.975 4.045 . 0 0 "[ . 1 . 2]" 1
937 1 6 TRP HD1 1 40 ILE HG13 4.000 . 4.500 2.563 2.321 2.995 . 0 0 "[ . 1 . 2]" 1
938 1 2 PHE HB3 1 47 PHE QE 5.500 . 6.000 3.228 2.368 4.711 . 0 0 "[ . 1 . 2]" 1
939 1 2 PHE HB2 1 47 PHE QE 5.500 . 6.000 3.199 2.825 4.006 . 0 0 "[ . 1 . 2]" 1
940 1 40 ILE MG 1 47 PHE QE 5.500 . 6.000 3.410 2.811 4.806 . 0 0 "[ . 1 . 2]" 1
941 1 42 GLN HA 1 47 PHE QD 5.500 . 6.000 3.727 2.786 4.053 . 0 0 "[ . 1 . 2]" 1
942 1 42 GLN HB2 1 47 PHE QE 5.500 . 6.000 2.939 1.526 3.538 0.274 8 0 "[ . 1 . 2]" 1
943 1 46 ASP HA 1 47 PHE QD 5.500 . 6.000 3.582 2.518 4.918 . 0 0 "[ . 1 . 2]" 1
944 1 47 PHE H 1 47 PHE QD 4.000 . 4.500 3.275 2.351 4.051 . 0 0 "[ . 1 . 2]" 1
945 1 47 PHE QD 1 48 VAL H 5.500 . 6.000 3.882 2.647 4.332 . 0 0 "[ . 1 . 2]" 1
946 1 47 PHE QB 1 62 PHE QE 4.000 . 4.500 2.322 2.063 2.859 . 0 0 "[ . 1 . 2]" 1
947 1 47 PHE QE 1 62 PHE QE 5.500 . 6.000 4.972 4.258 5.321 . 0 0 "[ . 1 . 2]" 1
948 1 47 PHE QB 1 62 PHE HZ 5.500 . 6.000 2.531 2.370 2.700 . 0 0 "[ . 1 . 2]" 1
949 1 49 VAL QG 1 62 PHE QE 4.000 . 4.500 2.022 1.934 2.140 . 0 0 "[ . 1 . 2]" 1
950 1 49 VAL QG 1 62 PHE HZ 5.500 . 6.000 2.630 2.065 3.940 . 0 0 "[ . 1 . 2]" 1
951 1 61 SER HA 1 62 PHE QD 4.000 . 4.500 3.352 3.163 3.598 . 0 0 "[ . 1 . 2]" 1
952 1 47 PHE QD 1 63 THR HA 5.500 . 6.000 4.475 3.241 5.193 . 0 0 "[ . 1 . 2]" 1
953 1 47 PHE QE 1 64 LEU HG 4.000 . 4.500 4.353 3.787 4.626 0.126 4 0 "[ . 1 . 2]" 1
954 1 47 PHE QE 1 64 LEU H 5.500 . 6.000 5.383 3.394 6.057 0.057 8 0 "[ . 1 . 2]" 1
955 1 62 PHE QE 1 70 ILE MD 5.500 . 6.000 3.481 3.059 4.004 . 0 0 "[ . 1 . 2]" 1
956 1 62 PHE QE 1 82 VAL HB 4.000 . 4.500 2.513 2.151 2.909 . 0 0 "[ . 1 . 2]" 1
957 1 62 PHE QE 1 82 VAL MG1 5.500 . 6.000 2.031 1.810 2.355 . 0 0 "[ . 1 . 2]" 1
958 1 62 PHE HZ 1 82 VAL MG1 5.500 . 6.000 2.805 2.201 3.436 . 0 0 "[ . 1 . 2]" 1
959 1 81 THR HB 1 83 HIS HE1 5.500 . 6.000 5.468 3.764 6.204 0.204 14 0 "[ . 1 . 2]" 1
960 1 82 VAL HA 1 83 HIS HE1 5.500 . 6.000 5.663 4.750 7.272 1.272 11 6 "[ .- 1+* .** *2]" 1
961 1 83 HIS HB3 1 83 HIS HD2 4.000 . 4.500 3.631 2.795 4.000 . 0 0 "[ . 1 . 2]" 1
962 1 83 HIS HB2 1 83 HIS HD2 4.000 . 4.500 3.258 2.863 3.910 . 0 0 "[ . 1 . 2]" 1
963 1 83 HIS H 1 83 HIS HD2 5.500 . 6.000 4.440 3.512 5.780 . 0 0 "[ . 1 . 2]" 1
964 1 2 PHE QE 1 84 LEU MD1 5.500 . 6.000 4.972 4.212 5.747 . 0 0 "[ . 1 . 2]" 1
965 1 2 PHE QE 1 84 LEU MD2 5.500 . 6.000 3.808 3.282 4.550 . 0 0 "[ . 1 . 2]" 1
966 1 83 HIS HD2 1 85 ALA HA 4.000 . 4.500 4.685 4.342 5.382 0.882 6 6 "[ .+ 1** .*- *2]" 1
967 1 83 HIS HD2 1 85 ALA MB 5.500 . 6.000 2.994 2.166 4.436 . 0 0 "[ . 1 . 2]" 1
968 1 2 PHE QE 1 88 LYS HA 4.000 . 4.500 3.347 2.747 3.872 . 0 0 "[ . 1 . 2]" 1
969 1 2 PHE HZ 1 88 LYS HA 2.800 . 3.300 2.312 2.021 3.509 0.209 12 0 "[ . 1 . 2]" 1
970 1 2 PHE HZ 1 89 LEU HB2 4.000 . 4.500 4.598 3.031 4.850 0.350 19 0 "[ . 1 . 2]" 1
971 1 2 PHE HZ 1 89 LEU HB3 5.500 . 6.000 5.107 2.630 5.563 . 0 0 "[ . 1 . 2]" 1
972 1 2 PHE QD 1 89 LEU MD2 5.500 . 6.000 5.584 4.370 5.998 . 0 0 "[ . 1 . 2]" 1
973 1 2 PHE HZ 1 89 LEU H 5.500 . 6.000 3.086 2.249 3.391 . 0 0 "[ . 1 . 2]" 1
974 1 62 PHE QE 1 89 LEU MD1 4.000 . 4.500 2.611 2.117 2.856 . 0 0 "[ . 1 . 2]" 1
975 1 62 PHE QD 1 89 LEU MD2 5.500 . 6.000 5.185 4.698 5.475 . 0 0 "[ . 1 . 2]" 1
976 1 62 PHE QE 1 89 LEU MD2 5.500 . 6.000 3.683 3.275 3.985 . 0 0 "[ . 1 . 2]" 1
977 1 83 HIS HD2 1 90 VAL MG2 5.500 . 6.000 4.552 3.700 6.558 0.558 17 3 "[ . 1- .*+ 2]" 1
978 1 95 LYS HB2 1 96 PHE HD2 4.000 . 4.500 3.904 3.596 4.419 . 0 0 "[ . 1 . 2]" 1
979 1 96 PHE HA 1 96 PHE QD 4.000 . 4.500 3.500 3.462 3.527 . 0 0 "[ . 1 . 2]" 1
980 1 96 PHE HB2 1 96 PHE QD 2.800 . 3.300 2.681 2.654 2.725 . 0 0 "[ . 1 . 2]" 1
981 1 96 PHE HB3 1 96 PHE QD 2.800 . 3.300 2.304 2.301 2.316 . 0 0 "[ . 1 . 2]" 1
982 1 96 PHE HD1 1 97 SER HA 4.000 . 4.500 2.729 2.665 2.850 . 0 0 "[ . 1 . 2]" 1
983 1 96 PHE HD1 1 97 SER H 4.000 . 4.500 3.119 2.954 3.363 . 0 0 "[ . 1 . 2]" 1
984 1 96 PHE HD1 1 98 HIS H 5.500 . 6.000 4.209 4.009 4.570 . 0 0 "[ . 1 . 2]" 1
985 1 98 HIS HA 1 98 HIS HD2 4.000 . 4.500 3.617 3.497 3.787 . 0 0 "[ . 1 . 2]" 1
986 1 98 HIS HB3 1 98 HIS HD2 4.000 . 4.500 3.851 3.792 3.888 . 0 0 "[ . 1 . 2]" 1
987 1 98 HIS HB2 1 98 HIS HD2 4.000 . 4.500 2.792 2.771 2.811 . 0 0 "[ . 1 . 2]" 1
988 1 2 PHE QD 1 100 GLN QB 5.500 . 6.000 4.403 4.083 5.205 . 0 0 "[ . 1 . 2]" 1
989 1 2 PHE QE 1 100 GLN QB 5.500 . 6.000 3.615 2.983 3.984 . 0 0 "[ . 1 . 2]" 1
990 1 98 HIS HD2 1 100 GLN QB 5.500 . 6.000 5.839 5.787 5.915 . 0 0 "[ . 1 . 2]" 1
991 1 98 HIS HE1 1 100 GLN H 5.500 . 6.000 4.137 3.895 4.300 . 0 0 "[ . 1 . 2]" 1
992 1 2 PHE QD 1 102 VAL HB 4.000 . 4.500 3.595 2.789 4.407 . 0 0 "[ . 1 . 2]" 1
993 1 2 PHE QE 1 102 VAL HB 4.000 . 4.500 3.806 3.079 4.342 . 0 0 "[ . 1 . 2]" 1
994 1 6 TRP HZ2 1 102 VAL HB 5.500 . 6.000 3.953 3.613 4.774 . 0 0 "[ . 1 . 2]" 1
995 1 6 TRP HH2 1 102 VAL MG2 4.000 . 4.500 2.200 1.896 3.672 . 0 0 "[ . 1 . 2]" 1
996 1 6 TRP HZ2 1 102 VAL MG2 4.000 . 4.500 2.272 1.929 2.914 . 0 0 "[ . 1 . 2]" 1
997 1 6 TRP HH2 1 103 LYS H 5.500 . 6.000 4.675 4.284 5.041 . 0 0 "[ . 1 . 2]" 1
998 1 6 TRP HH2 1 105 ASN HA 5.500 . 6.000 3.194 2.933 3.643 . 0 0 "[ . 1 . 2]" 1
999 1 6 TRP HZ3 1 105 ASN HA 5.500 . 6.000 3.670 3.227 4.132 . 0 0 "[ . 1 . 2]" 1
1000 1 6 TRP HE3 1 106 GLU HA 5.500 . 6.000 3.893 3.715 4.030 . 0 0 "[ . 1 . 2]" 1
1001 1 6 TRP HZ3 1 106 GLU HA 4.000 . 4.500 2.580 2.095 2.973 . 0 0 "[ . 1 . 2]" 1
1002 1 6 TRP HZ3 1 106 GLU HB3 5.500 . 6.000 4.871 4.478 5.210 . 0 0 "[ . 1 . 2]" 1
1003 1 6 TRP HH2 1 106 GLU H 5.500 . 6.000 4.078 3.557 4.697 . 0 0 "[ . 1 . 2]" 1
1004 1 9 TYR QE 1 106 GLU HG2 4.000 . 4.500 4.001 2.800 4.533 0.033 14 0 "[ . 1 . 2]" 1
1005 1 2 PHE QD 1 107 MET ME 5.500 . 6.000 2.244 1.859 3.091 . 0 0 "[ . 1 . 2]" 1
1006 1 6 TRP HE3 1 107 MET HB3 4.000 . 4.500 3.421 2.573 4.145 . 0 0 "[ . 1 . 2]" 1
1007 1 6 TRP HZ3 1 107 MET HB2 4.000 . 4.500 3.264 2.877 3.670 . 0 0 "[ . 1 . 2]" 1
1008 1 6 TRP HE3 1 107 MET HG2 4.000 . 4.500 4.646 4.386 4.871 0.371 17 0 "[ . 1 . 2]" 1
1009 1 98 HIS HE1 1 109 GLU HA 5.500 . 6.000 4.681 4.442 4.878 . 0 0 "[ . 1 . 2]" 1
1010 1 98 HIS HE1 1 109 GLU HB2 5.500 . 6.000 5.669 5.278 5.847 . 0 0 "[ . 1 . 2]" 1
1011 1 98 HIS HE1 1 109 GLU HG2 2.800 . 3.300 3.287 2.919 3.522 0.222 12 0 "[ . 1 . 2]" 1
1012 1 98 HIS HE1 1 100 GLN QB 2.800 . 3.300 2.271 2.060 2.464 . 0 0 "[ . 1 . 2]" 1
1013 1 17 PHE HZ 1 111 ILE HB 4.000 . 4.500 3.054 2.796 3.450 . 0 0 "[ . 1 . 2]" 1
1014 1 17 PHE HZ 1 111 ILE MG 4.000 . 4.500 1.828 1.721 1.945 0.079 9 0 "[ . 1 . 2]" 1
1015 1 98 HIS HE1 1 111 ILE HG12 5.500 . 6.000 4.616 4.210 4.929 . 0 0 "[ . 1 . 2]" 1
1016 1 17 PHE HZ 1 112 THR HA 5.500 . 6.000 5.099 4.516 5.405 . 0 0 "[ . 1 . 2]" 1
1017 1 17 PHE HZ 1 113 PHE HB3 4.000 . 4.500 3.663 3.385 3.915 . 0 0 "[ . 1 . 2]" 1
1018 1 17 PHE HZ 1 113 PHE HB2 4.000 . 4.500 3.009 2.600 3.297 . 0 0 "[ . 1 . 2]" 1
1019 1 17 PHE QD 1 113 PHE H 5.500 . 6.000 3.528 2.894 4.450 . 0 0 "[ . 1 . 2]" 1
1020 1 17 PHE HZ 1 113 PHE H 5.500 . 6.000 5.012 4.446 5.321 . 0 0 "[ . 1 . 2]" 1
1021 1 20 ALA MB 1 113 PHE HE1 5.500 . 6.000 3.475 3.288 3.748 . 0 0 "[ . 1 . 2]" 1
1022 1 21 LEU HA 1 113 PHE QD 4.000 . 4.500 3.457 3.235 3.649 . 0 0 "[ . 1 . 2]" 1
1023 1 21 LEU QD 1 113 PHE QD 5.500 . 6.000 2.618 2.287 2.776 . 0 0 "[ . 1 . 2]" 1
1024 1 21 LEU QD 1 113 PHE QE 5.500 . 6.000 2.934 2.260 3.243 . 0 0 "[ . 1 . 2]" 1
1025 1 95 LYS HB2 1 113 PHE HD2 5.500 . 6.000 5.771 5.387 6.443 0.443 1 0 "[ . 1 . 2]" 1
1026 1 95 LYS HB2 1 113 PHE HE2 4.000 . 4.500 4.026 3.648 4.798 0.298 1 0 "[ . 1 . 2]" 1
1027 1 96 PHE HA 1 113 PHE HD2 5.500 . 6.000 2.906 2.421 3.698 . 0 0 "[ . 1 . 2]" 1
1028 1 96 PHE HB3 1 113 PHE HD2 4.000 . 4.500 2.205 2.040 2.823 . 0 0 "[ . 1 . 2]" 1
1029 1 96 PHE HB3 1 113 PHE HE2 5.500 . 6.000 1.979 1.739 2.514 0.061 9 0 "[ . 1 . 2]" 1
1030 1 113 PHE HA 1 113 PHE QD 4.000 . 4.500 3.076 2.899 3.114 . 0 0 "[ . 1 . 2]" 1
1031 1 113 PHE HB2 1 113 PHE QE 4.000 . 4.500 4.423 4.418 4.446 . 0 0 "[ . 1 . 2]" 1
1032 1 113 PHE HA 1 113 PHE QE 4.000 . 4.500 4.593 4.519 4.634 0.134 6 0 "[ . 1 . 2]" 1
1033 1 14 TYR QD 1 118 LEU QD 4.000 . 4.500 2.228 1.657 3.222 0.143 17 0 "[ . 1 . 2]" 1
1034 1 17 PHE QD 1 118 LEU HB3 4.000 . 4.500 3.360 3.002 3.797 . 0 0 "[ . 1 . 2]" 1
1035 1 17 PHE QD 1 118 LEU HB2 4.000 . 4.500 2.584 1.996 3.122 . 0 0 "[ . 1 . 2]" 1
1036 1 6 TRP HE3 1 122 SER HB2 4.000 . 4.500 3.557 2.929 4.635 0.135 17 0 "[ . 1 . 2]" 1
1037 1 9 TYR QE 1 122 SER HA 4.000 . 4.500 3.261 2.877 4.648 0.148 19 0 "[ . 1 . 2]" 1
1038 1 6 TRP HZ3 1 123 LYS HA 4.000 . 4.500 3.100 2.614 3.597 . 0 0 "[ . 1 . 2]" 1
1039 1 6 TRP HZ3 1 123 LYS HB2 6.000 . 6.500 5.675 5.104 6.199 . 0 0 "[ . 1 . 2]" 1
1040 1 9 TYR QE 1 123 LYS HD2 4.000 . 4.500 3.835 2.118 4.592 0.092 14 0 "[ . 1 . 2]" 1
1041 1 9 TYR QD 1 123 LYS H 4.000 . 4.500 2.747 2.485 3.403 . 0 0 "[ . 1 . 2]" 1
1042 1 9 TYR QE 1 123 LYS H 5.500 . 6.000 3.362 2.957 3.810 . 0 0 "[ . 1 . 2]" 1
1043 1 6 TRP HE3 1 124 ARG HA 4.000 . 4.500 3.260 3.148 3.495 . 0 0 "[ . 1 . 2]" 1
1044 1 6 TRP HH2 1 124 ARG HB3 5.500 . 6.000 4.562 4.260 4.896 . 0 0 "[ . 1 . 2]" 1
1045 1 6 TRP HZ3 1 124 ARG HB3 5.500 . 6.000 3.882 3.644 4.426 . 0 0 "[ . 1 . 2]" 1
1046 1 6 TRP HH2 1 124 ARG HB2 4.000 . 4.500 3.118 2.809 3.474 . 0 0 "[ . 1 . 2]" 1
1047 1 6 TRP HZ3 1 124 ARG HB2 5.500 . 6.000 2.635 2.344 2.874 . 0 0 "[ . 1 . 2]" 1
1048 1 6 TRP HZ3 1 124 ARG HG2 5.500 . 6.000 5.623 5.368 5.810 . 0 0 "[ . 1 . 2]" 1
1049 1 6 TRP HE3 1 124 ARG H 4.000 . 4.500 3.320 3.166 3.536 . 0 0 "[ . 1 . 2]" 1
1050 1 96 PHE QB 1 98 HIS HD2 5.500 . 6.000 6.442 6.369 6.571 0.571 8 2 "[ -. + 1 . 2]" 1
1051 1 98 HIS HD2 1 111 ILE HG13 5.500 . 6.000 4.023 3.695 4.571 . 0 0 "[ . 1 . 2]" 1
1052 1 98 HIS HD2 1 111 ILE HG12 4.000 . 4.500 2.713 2.382 3.288 . 0 0 "[ . 1 . 2]" 1
1053 1 98 HIS HD2 1 111 ILE MG 4.000 . 4.500 3.007 2.804 3.170 . 0 0 "[ . 1 . 2]" 1
1054 1 2 PHE QB 1 3 SER H 4.000 . 4.500 2.671 2.246 2.764 . 0 0 "[ . 1 . 2]" 1
1055 1 3 SER HA 1 4 GLY H 2.800 . 3.300 2.285 2.270 2.303 . 0 0 "[ . 1 . 2]" 1
1056 1 3 SER QB 1 4 GLY H 2.800 . 3.300 3.084 2.925 3.774 0.474 7 0 "[ . 1 . 2]" 1
1057 1 3 SER H 1 4 GLY H 4.000 . 4.500 4.661 4.278 4.688 0.188 17 0 "[ . 1 . 2]" 1
1058 1 4 GLY HA3 1 5 THR H 2.800 . 3.300 2.605 2.419 2.805 . 0 0 "[ . 1 . 2]" 1
1059 1 4 GLY H 1 5 THR H 4.000 . 4.500 4.438 4.345 4.483 . 0 0 "[ . 1 . 2]" 1
1060 1 5 THR HA 1 6 TRP H 2.800 . 3.300 2.243 2.215 2.354 . 0 0 "[ . 1 . 2]" 1
1061 1 5 THR MG 1 6 TRP H 4.000 . 4.500 2.976 2.016 4.028 . 0 0 "[ . 1 . 2]" 1
1062 1 5 THR H 1 6 TRP H 4.000 . 4.500 4.519 4.425 4.663 0.163 15 0 "[ . 1 . 2]" 1
1063 1 7 GLN HA 1 8 VAL H 2.800 . 3.300 2.220 2.210 2.289 . 0 0 "[ . 1 . 2]" 1
1064 1 8 VAL MG1 1 9 TYR H 4.000 . 4.500 2.796 2.431 4.081 . 0 0 "[ . 1 . 2]" 1
1065 1 9 TYR H 1 9 TYR QD 2.800 . 3.300 2.762 2.004 3.565 0.265 17 0 "[ . 1 . 2]" 1
1066 1 8 VAL MG1 1 10 ALA H 4.000 . 4.500 3.174 2.392 4.676 0.176 13 0 "[ . 1 . 2]" 1
1067 1 9 TYR H 1 10 ALA H 2.800 . 3.300 1.990 1.634 2.940 0.166 20 0 "[ . 1 . 2]" 1
1068 1 11 GLN H 1 12 GLU QB 5.500 . 6.000 4.939 4.723 5.515 . 0 0 "[ . 1 . 2]" 1
1069 1 11 GLN HA 1 12 GLU H 2.800 . 3.300 2.276 2.211 2.453 . 0 0 "[ . 1 . 2]" 1
1070 1 11 GLN QB 1 12 GLU H 2.800 . 3.300 3.287 2.542 3.738 0.438 19 0 "[ . 1 . 2]" 1
1071 1 11 GLN QB 1 14 TYR H 4.000 . 4.500 4.012 3.477 4.763 0.263 20 0 "[ . 1 . 2]" 1
1072 1 13 ASN HA 1 14 TYR H 4.000 . 4.500 3.102 2.915 3.358 . 0 0 "[ . 1 . 2]" 1
1073 1 13 ASN H 1 14 TYR H 2.800 . 3.300 2.770 2.648 2.907 . 0 0 "[ . 1 . 2]" 1
1074 1 14 TYR QB 1 15 GLU H 2.800 . 3.300 2.222 1.854 2.456 . 0 0 "[ . 1 . 2]" 1
1075 1 14 TYR QD 1 15 GLU H 4.000 . 4.500 3.424 2.530 4.215 . 0 0 "[ . 1 . 2]" 1
1076 1 14 TYR H 1 15 GLU H 2.800 . 3.300 2.950 2.738 3.477 0.177 17 0 "[ . 1 . 2]" 1
1077 1 16 GLU H 1 17 PHE QB 4.000 . 4.500 4.538 4.447 4.657 0.157 17 0 "[ . 1 . 2]" 1
1078 1 16 GLU QB 1 17 PHE H 2.800 . 3.300 2.267 2.153 2.486 . 0 0 "[ . 1 . 2]" 1
1079 1 16 GLU H 1 17 PHE H 2.800 . 3.300 3.018 2.834 3.166 . 0 0 "[ . 1 . 2]" 1
1080 1 15 GLU HA 1 18 LEU H 4.000 . 4.500 3.801 3.540 4.059 . 0 0 "[ . 1 . 2]" 1
1081 1 15 GLU H 1 18 LEU H 4.000 . 4.500 4.964 4.767 5.225 0.725 16 6 "[ . * 1 * *+ * -]" 1
1082 1 16 GLU H 1 18 LEU H 4.000 . 4.500 4.528 4.261 4.888 0.388 15 0 "[ . 1 . 2]" 1
1083 1 17 PHE QB 1 18 LEU H 2.800 . 3.300 2.225 1.974 2.449 . 0 0 "[ . 1 . 2]" 1
1084 1 17 PHE QD 1 18 LEU H 4.000 . 4.500 2.904 2.285 3.715 . 0 0 "[ . 1 . 2]" 1
1085 1 16 GLU H 1 19 LYS QG 5.500 . 6.000 5.209 4.486 6.440 0.440 8 0 "[ . 1 . 2]" 1
1086 1 16 GLU H 1 19 LYS H 4.000 . 4.500 4.724 4.560 4.971 0.471 16 0 "[ . 1 . 2]" 1
1087 1 18 LEU H 1 19 LYS H 2.800 . 3.300 2.845 2.754 2.996 . 0 0 "[ . 1 . 2]" 1
1088 1 17 PHE HA 1 20 ALA H 2.800 . 3.300 3.679 3.477 3.910 0.610 18 3 "[ .* 1- . + 2]" 1
1089 1 18 LEU H 1 20 ALA H 4.000 . 4.500 4.318 4.150 4.409 . 0 0 "[ . 1 . 2]" 1
1090 1 19 LYS HA 1 21 LEU H 4.000 . 4.500 4.309 4.073 4.639 0.139 20 0 "[ . 1 . 2]" 1
1091 1 19 LYS H 1 21 LEU H 4.000 . 4.500 4.188 4.118 4.344 . 0 0 "[ . 1 . 2]" 1
1092 1 20 ALA H 1 21 LEU H 2.800 . 3.300 2.585 2.538 2.630 . 0 0 "[ . 1 . 2]" 1
1093 1 21 LEU HA 1 22 ALA H 2.800 . 3.300 3.482 3.457 3.509 0.209 13 0 "[ . 1 . 2]" 1
1094 1 21 LEU QB 1 22 ALA H 2.800 . 3.300 2.971 2.874 3.032 . 0 0 "[ . 1 . 2]" 1
1095 1 21 LEU H 1 22 ALA H 2.800 . 3.300 2.699 2.637 2.759 . 0 0 "[ . 1 . 2]" 1
1096 1 21 LEU HA 1 23 LEU H 4.000 . 4.500 4.781 4.605 5.160 0.660 10 1 "[ . + . 2]" 1
1097 1 22 ALA HA 1 23 LEU H 2.800 . 3.300 3.030 2.825 3.144 . 0 0 "[ . 1 . 2]" 1
1098 1 22 ALA H 1 23 LEU H 2.800 . 3.300 2.451 2.350 2.625 . 0 0 "[ . 1 . 2]" 1
1099 1 24 PRO HA 1 25 GLU H 2.800 . 3.300 2.250 2.229 2.272 . 0 0 "[ . 1 . 2]" 1
1100 1 24 PRO QB 1 25 GLU H 2.800 . 3.300 3.200 3.112 3.311 0.011 20 0 "[ . 1 . 2]" 1
1101 1 24 PRO QB 1 26 ASP H 2.800 . 3.300 2.913 2.562 3.132 . 0 0 "[ . 1 . 2]" 1
1102 1 25 GLU HA 1 26 ASP H 4.000 . 4.500 3.565 3.511 3.583 . 0 0 "[ . 1 . 2]" 1
1103 1 24 PRO QB 1 27 LEU H 4.000 . 4.500 2.773 2.685 2.878 . 0 0 "[ . 1 . 2]" 1
1104 1 25 GLU H 1 27 LEU QB 5.500 . 6.000 5.108 4.973 5.391 . 0 0 "[ . 1 . 2]" 1
1105 1 25 GLU H 1 27 LEU H 4.000 . 4.500 4.212 4.104 4.469 . 0 0 "[ . 1 . 2]" 1
1106 1 26 ASP H 1 27 LEU H 2.800 . 3.300 2.760 2.633 2.877 . 0 0 "[ . 1 . 2]" 1
1107 1 19 LYS H 1 28 ILE MD 4.000 . 4.500 4.364 3.877 4.608 0.108 11 0 "[ . 1 . 2]" 1
1108 1 22 ALA H 1 28 ILE MD 4.000 . 4.500 4.647 4.195 4.817 0.317 1 0 "[ . 1 . 2]" 1
1109 1 23 LEU H 1 28 ILE MD 4.000 . 4.500 3.402 2.762 4.022 . 0 0 "[ . 1 . 2]" 1
1110 1 25 GLU HA 1 28 ILE H 4.000 . 4.500 3.131 3.021 3.568 . 0 0 "[ . 1 . 2]" 1
1111 1 26 ASP H 1 28 ILE H 4.000 . 4.500 4.109 4.001 4.249 . 0 0 "[ . 1 . 2]" 1
1112 1 27 LEU QB 1 28 ILE H 2.800 . 3.300 2.770 2.378 2.964 . 0 0 "[ . 1 . 2]" 1
1113 1 27 LEU H 1 28 ILE H 2.800 . 3.300 2.342 2.257 2.533 . 0 0 "[ . 1 . 2]" 1
1114 1 26 ASP H 1 29 LYS QG 4.000 . 4.500 4.679 4.408 4.910 0.410 9 0 "[ . 1 . 2]" 1
1115 1 28 ILE HA 1 29 LYS H 4.000 . 4.500 3.578 3.566 3.592 . 0 0 "[ . 1 . 2]" 1
1116 1 28 ILE HB 1 29 LYS H 2.800 . 3.300 2.426 2.214 2.604 . 0 0 "[ . 1 . 2]" 1
1117 1 30 MET H 1 30 MET QG 4.000 . 4.500 3.298 2.463 4.009 . 0 0 "[ . 1 . 2]" 1
1118 1 28 ILE HB 1 30 MET H 4.000 . 4.500 4.699 4.526 4.827 0.327 4 0 "[ . 1 . 2]" 1
1119 1 29 LYS QG 1 30 MET H 4.000 . 4.500 3.625 2.038 4.063 . 0 0 "[ . 1 . 2]" 1
1120 1 29 LYS H 1 30 MET H 2.800 . 3.300 2.588 2.480 2.740 . 0 0 "[ . 1 . 2]" 1
1121 1 27 LEU MD1 1 31 ALA H 4.000 . 4.500 4.031 3.665 4.504 0.004 15 0 "[ . 1 . 2]" 1
1122 1 28 ILE HA 1 31 ALA H 4.000 . 4.500 3.441 3.196 3.594 . 0 0 "[ . 1 . 2]" 1
1123 1 30 MET QB 1 31 ALA H 2.800 . 3.300 2.832 2.639 3.130 . 0 0 "[ . 1 . 2]" 1
1124 1 30 MET H 1 31 ALA H 2.800 . 3.300 2.331 2.252 2.437 . 0 0 "[ . 1 . 2]" 1
1125 1 28 ILE HA 1 32 ARG H 4.000 . 4.500 4.263 3.844 4.638 0.138 10 0 "[ . 1 . 2]" 1
1126 1 29 LYS HA 1 32 ARG H 2.800 . 3.300 3.653 3.529 3.776 0.476 10 0 "[ . 1 . 2]" 1
1127 1 31 ALA H 1 32 ARG QG 4.000 . 4.500 4.118 3.578 4.655 0.155 18 0 "[ . 1 . 2]" 1
1128 1 31 ALA MB 1 32 ARG H 4.000 . 4.500 3.273 3.083 3.406 . 0 0 "[ . 1 . 2]" 1
1129 1 31 ALA H 1 32 ARG H 4.000 . 4.500 2.299 2.058 2.455 . 0 0 "[ . 1 . 2]" 1
1130 1 32 ARG HA 1 33 ASP H 4.000 . 4.500 3.348 3.286 3.418 . 0 0 "[ . 1 . 2]" 1
1131 1 32 ARG QG 1 33 ASP H 4.000 . 4.500 2.644 2.244 2.977 . 0 0 "[ . 1 . 2]" 1
1132 1 32 ARG H 1 33 ASP H 4.000 . 4.500 2.683 2.560 2.760 . 0 0 "[ . 1 . 2]" 1
1133 1 14 TYR QE 1 34 ILE H 4.000 . 4.500 4.225 3.344 4.817 0.317 19 0 "[ . 1 . 2]" 1
1134 1 31 ALA MB 1 34 ILE H 4.000 . 4.500 4.424 4.224 4.564 0.064 19 0 "[ . 1 . 2]" 1
1135 1 33 ASP H 1 34 ILE MD 5.500 . 6.000 4.153 3.988 4.371 . 0 0 "[ . 1 . 2]" 1
1136 1 33 ASP H 1 34 ILE H 2.800 . 3.300 2.636 2.408 2.938 . 0 0 "[ . 1 . 2]" 1
1137 1 34 ILE HA 1 35 LYS H 4.000 . 4.500 2.219 2.211 2.236 . 0 0 "[ . 1 . 2]" 1
1138 1 34 ILE MG 1 35 LYS H 5.500 . 6.000 3.001 2.835 3.201 . 0 0 "[ . 1 . 2]" 1
1139 1 6 TRP H 1 37 ILE MG 5.500 . 6.000 3.299 2.742 3.646 . 0 0 "[ . 1 . 2]" 1
1140 1 6 TRP H 1 38 VAL HB 4.000 . 4.500 3.953 3.651 4.970 0.470 4 0 "[ . 1 . 2]" 1
1141 1 38 VAL HA 1 39 GLU H 2.800 . 3.300 2.216 2.211 2.232 . 0 0 "[ . 1 . 2]" 1
1142 1 38 VAL MG1 1 39 GLU H 4.000 . 4.500 3.049 2.846 3.878 . 0 0 "[ . 1 . 2]" 1
1143 1 3 SER H 1 40 ILE MG 4.000 . 4.500 3.638 3.348 4.038 . 0 0 "[ . 1 . 2]" 1
1144 1 4 GLY H 1 40 ILE HB 2.800 . 3.300 2.925 2.680 3.131 . 0 0 "[ . 1 . 2]" 1
1145 1 4 GLY H 1 40 ILE QG 4.000 . 4.500 4.630 4.513 4.776 0.276 20 0 "[ . 1 . 2]" 1
1146 1 4 GLY H 1 40 ILE MG 4.000 . 4.500 3.847 3.649 4.017 . 0 0 "[ . 1 . 2]" 1
1147 1 4 GLY H 1 40 ILE H 2.800 . 3.300 3.065 2.927 3.226 . 0 0 "[ . 1 . 2]" 1
1148 1 5 THR HA 1 40 ILE H 2.800 . 3.300 3.295 3.154 3.414 0.114 19 0 "[ . 1 . 2]" 1
1149 1 39 GLU HA 1 40 ILE H 2.800 . 3.300 2.247 2.223 2.327 . 0 0 "[ . 1 . 2]" 1
1150 1 40 ILE HA 1 41 GLN H 2.800 . 3.300 2.222 2.211 2.246 . 0 0 "[ . 1 . 2]" 1
1151 1 40 ILE QG 1 41 GLN H 4.000 . 4.500 4.305 4.220 4.757 0.257 11 0 "[ . 1 . 2]" 1
1152 1 40 ILE H 1 41 GLN H 4.000 . 4.500 4.390 4.277 4.561 0.061 4 0 "[ . 1 . 2]" 1
1153 1 3 SER HA 1 42 GLN H 2.800 . 3.300 2.950 2.662 3.154 . 0 0 "[ . 1 . 2]" 1
1154 1 3 SER QB 1 42 GLN H 4.000 . 4.500 3.019 2.483 3.835 . 0 0 "[ . 1 . 2]" 1
1155 1 40 ILE MG 1 42 GLN H 4.000 . 4.500 2.707 2.512 2.901 . 0 0 "[ . 1 . 2]" 1
1156 1 41 GLN H 1 42 GLN H 4.000 . 4.500 3.368 3.187 3.614 . 0 0 "[ . 1 . 2]" 1
1157 1 42 GLN HA 1 43 LYS H 2.800 . 3.300 2.450 2.390 2.528 . 0 0 "[ . 1 . 2]" 1
1158 1 42 GLN QB 1 43 LYS H 4.000 . 4.500 3.024 2.374 3.425 . 0 0 "[ . 1 . 2]" 1
1159 1 44 GLY H 1 45 ASP HA 5.500 . 6.000 4.951 4.883 5.024 . 0 0 "[ . 1 . 2]" 1
1160 1 44 GLY HA3 1 45 ASP H 2.800 . 3.300 2.238 2.216 2.260 . 0 0 "[ . 1 . 2]" 1
1161 1 44 GLY HA2 1 45 ASP H 2.800 . 3.300 3.449 3.419 3.476 0.176 15 0 "[ . 1 . 2]" 1
1162 1 45 ASP H 1 46 ASP H 2.800 . 3.300 2.125 2.057 2.199 . 0 0 "[ . 1 . 2]" 1
1163 1 46 ASP H 1 46 ASP QB 2.800 . 3.300 2.298 2.217 2.388 . 0 0 "[ . 1 . 2]" 1
1164 1 46 ASP HA 1 47 PHE H 2.800 . 3.300 2.313 2.249 2.373 . 0 0 "[ . 1 . 2]" 1
1165 1 46 ASP QB 1 47 PHE H 4.000 . 4.500 3.396 2.723 3.714 . 0 0 "[ . 1 . 2]" 1
1166 1 41 GLN H 1 48 VAL HA 4.000 . 4.500 4.741 4.599 4.890 0.390 3 0 "[ . 1 . 2]" 1
1167 1 41 GLN H 1 48 VAL H 2.800 . 3.300 2.842 2.570 2.961 . 0 0 "[ . 1 . 2]" 1
1168 1 42 GLN HA 1 48 VAL H 2.800 . 3.300 3.189 3.005 3.305 0.005 4 0 "[ . 1 . 2]" 1
1169 1 47 PHE HA 1 48 VAL H 2.800 . 3.300 2.244 2.222 2.303 . 0 0 "[ . 1 . 2]" 1
1170 1 48 VAL HA 1 49 VAL H 2.800 . 3.300 2.246 2.229 2.279 . 0 0 "[ . 1 . 2]" 1
1171 1 48 VAL HB 1 49 VAL H 4.000 . 4.500 4.434 4.400 4.477 . 0 0 "[ . 1 . 2]" 1
1172 1 48 VAL MG1 1 49 VAL H 4.000 . 4.500 3.229 3.094 3.407 . 0 0 "[ . 1 . 2]" 1
1173 1 39 GLU QB 1 50 THR H 4.000 . 4.500 3.095 2.456 3.467 . 0 0 "[ . 1 . 2]" 1
1174 1 39 GLU H 1 50 THR H 2.800 . 3.300 2.877 2.657 3.094 . 0 0 "[ . 1 . 2]" 1
1175 1 49 VAL HA 1 50 THR H 2.800 . 3.300 2.225 2.211 2.235 . 0 0 "[ . 1 . 2]" 1
1176 1 49 VAL QG 1 50 THR H 4.000 . 4.500 2.554 2.394 3.530 . 0 0 "[ . 1 . 2]" 1
1177 1 49 VAL H 1 50 THR H 4.000 . 4.500 4.482 4.418 4.540 0.040 6 0 "[ . 1 . 2]" 1
1178 1 50 THR HA 1 51 SER H 2.800 . 3.300 2.247 2.230 2.288 . 0 0 "[ . 1 . 2]" 1
1179 1 50 THR MG 1 51 SER H 4.000 . 4.500 3.224 3.107 3.323 . 0 0 "[ . 1 . 2]" 1
1180 1 51 SER H 1 51 SER QB 2.800 . 3.300 2.274 2.071 2.369 . 0 0 "[ . 1 . 2]" 1
1181 1 51 SER HA 1 52 LYS H 2.800 . 3.300 2.236 2.216 2.254 . 0 0 "[ . 1 . 2]" 1
1182 1 51 SER QB 1 52 LYS H 4.000 . 4.500 3.192 3.095 3.323 . 0 0 "[ . 1 . 2]" 1
1183 1 52 LYS HA 1 53 THR H 2.800 . 3.300 2.215 2.210 2.243 . 0 0 "[ . 1 . 2]" 1
1184 1 52 LYS QB 1 53 THR H 2.800 . 3.300 3.455 3.324 3.651 0.351 1 0 "[ . 1 . 2]" 1
1185 1 53 THR HB 1 55 ARG H 2.800 . 3.300 2.257 2.051 2.746 . 0 0 "[ . 1 . 2]" 1
1186 1 53 THR MG 1 55 ARG H 5.500 . 6.000 3.574 3.317 4.104 . 0 0 "[ . 1 . 2]" 1
1187 1 55 ARG H 1 56 GLN H 2.800 . 3.300 2.084 1.870 2.252 . 0 0 "[ . 1 . 2]" 1
1188 1 56 GLN QB 1 57 THR H 2.800 . 3.300 2.720 2.477 3.414 0.114 15 0 "[ . 1 . 2]" 1
1189 1 50 THR MG 1 58 VAL H 4.000 . 4.500 4.389 3.975 4.861 0.361 1 0 "[ . 1 . 2]" 1
1190 1 57 THR HA 1 58 VAL H 2.800 . 3.300 2.222 2.213 2.243 . 0 0 "[ . 1 . 2]" 1
1191 1 58 VAL MG1 1 59 THR H 4.000 . 4.500 2.833 2.466 4.055 . 0 0 "[ . 1 . 2]" 1
1192 1 59 THR HA 1 60 ASN H 2.800 . 3.300 2.256 2.232 2.300 . 0 0 "[ . 1 . 2]" 1
1193 1 59 THR MG 1 60 ASN H 4.000 . 4.500 2.892 2.194 3.795 . 0 0 "[ . 1 . 2]" 1
1194 1 60 ASN QB 1 61 SER H 2.800 . 3.300 2.897 2.765 3.256 . 0 0 "[ . 1 . 2]" 1
1195 1 47 PHE H 1 62 PHE H 4.000 . 4.500 3.713 3.446 3.872 . 0 0 "[ . 1 . 2]" 1
1196 1 61 SER HA 1 62 PHE H 2.800 . 3.300 2.226 2.213 2.254 . 0 0 "[ . 1 . 2]" 1
1197 1 62 PHE QB 1 63 THR H 4.000 . 4.500 2.468 2.339 2.645 . 0 0 "[ . 1 . 2]" 1
1198 1 62 PHE QD 1 63 THR H 4.000 . 4.500 3.217 2.984 3.420 . 0 0 "[ . 1 . 2]" 1
1199 1 47 PHE H 1 64 LEU H 4.000 . 4.500 3.938 3.674 4.454 . 0 0 "[ . 1 . 2]" 1
1200 1 63 THR HA 1 64 LEU H 2.800 . 3.300 2.296 2.257 2.340 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LEU QB 1 65 GLY H 4.000 . 4.500 3.456 3.343 3.819 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LEU HG 1 65 GLY H 4.000 . 4.500 4.490 2.885 4.846 0.346 19 0 "[ . 1 . 2]" 1
1203 1 65 GLY HA3 1 66 LYS H 4.000 . 4.500 3.341 3.258 3.446 . 0 0 "[ . 1 . 2]" 1
1204 1 65 GLY HA2 1 66 LYS H 2.800 . 3.300 3.239 3.101 3.330 0.030 19 0 "[ . 1 . 2]" 1
1205 1 65 GLY H 1 66 LYS H 2.800 . 3.300 2.249 2.119 2.322 . 0 0 "[ . 1 . 2]" 1
1206 1 66 LYS HA 1 67 GLU H 2.800 . 3.300 2.276 2.237 2.326 . 0 0 "[ . 1 . 2]" 1
1207 1 66 LYS QB 1 67 GLU H 2.800 . 3.300 3.270 2.902 3.609 0.309 14 0 "[ . 1 . 2]" 1
1208 1 66 LYS QG 1 67 GLU H 4.000 . 4.500 3.356 2.187 4.482 . 0 0 "[ . 1 . 2]" 1
1209 1 67 GLU HA 1 68 ALA H 2.800 . 3.300 2.215 2.210 2.236 . 0 0 "[ . 1 . 2]" 1
1210 1 67 GLU QG 1 68 ALA H 2.800 . 3.300 2.877 2.560 2.986 . 0 0 "[ . 1 . 2]" 1
1211 1 67 GLU H 1 68 ALA H 4.000 . 4.500 4.577 4.549 4.627 0.127 12 0 "[ . 1 . 2]" 1
1212 1 67 GLU HA 1 69 ASP H 5.500 3.300 6.000 6.320 6.228 6.367 0.367 3 0 "[ . 1 . 2]" 1
1213 1 61 SER H 1 70 ILE MD 4.000 . 4.500 3.513 3.183 4.922 0.422 12 0 "[ . 1 . 2]" 1
1214 1 68 ALA H 1 70 ILE MD 5.500 . 6.000 5.663 4.413 6.071 0.071 9 0 "[ . 1 . 2]" 1
1215 1 69 ASP H 1 70 ILE MD 5.500 . 6.000 4.877 4.559 5.493 . 0 0 "[ . 1 . 2]" 1
1216 1 69 ASP H 1 70 ILE QG 4.000 . 4.500 4.546 4.195 4.677 0.177 9 0 "[ . 1 . 2]" 1
1217 1 69 ASP HA 1 70 ILE H 2.800 . 3.300 2.242 2.225 2.278 . 0 0 "[ . 1 . 2]" 1
1218 1 69 ASP QB 1 70 ILE H 2.800 . 3.300 3.156 3.008 3.242 . 0 0 "[ . 1 . 2]" 1
1219 1 69 ASP H 1 70 ILE H 4.000 . 4.500 4.613 4.584 4.664 0.164 10 0 "[ . 1 . 2]" 1
1220 1 70 ILE HA 1 71 THR H 2.800 . 3.300 2.278 2.261 2.289 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ILE MG 1 71 THR H 2.800 . 3.300 2.380 2.102 2.562 . 0 0 "[ . 1 . 2]" 1
1222 1 70 ILE H 1 71 THR H 4.000 . 4.500 4.459 4.404 4.500 0.000 1 0 "[ . 1 . 2]" 1
1223 1 71 THR HA 1 72 THR H 2.800 . 3.300 2.236 2.221 2.294 . 0 0 "[ . 1 . 2]" 1
1224 1 71 THR MG 1 72 THR H 5.500 . 6.000 3.370 2.431 4.011 . 0 0 "[ . 1 . 2]" 1
1225 1 72 THR HA 1 73 MET H 2.800 . 3.300 2.377 2.347 2.418 . 0 0 "[ . 1 . 2]" 1
1226 1 72 THR MG 1 73 MET H 5.500 . 6.000 3.348 2.599 4.033 . 0 0 "[ . 1 . 2]" 1
1227 1 72 THR HB 1 74 ASP H 2.800 . 3.300 2.499 2.270 2.783 . 0 0 "[ . 1 . 2]" 1
1228 1 72 THR MG 1 74 ASP H 4.000 . 4.500 3.637 2.832 4.233 . 0 0 "[ . 1 . 2]" 1
1229 1 72 THR H 1 74 ASP H 4.000 . 4.500 4.758 4.609 4.894 0.394 10 0 "[ . 1 . 2]" 1
1230 1 73 MET H 1 74 ASP QB 4.000 . 4.500 4.437 4.152 4.619 0.119 18 0 "[ . 1 . 2]" 1
1231 1 73 MET QB 1 74 ASP H 2.800 . 3.300 3.064 2.949 3.161 . 0 0 "[ . 1 . 2]" 1
1232 1 73 MET H 1 74 ASP H 4.000 . 4.500 2.590 2.534 2.630 . 0 0 "[ . 1 . 2]" 1
1233 1 72 THR HB 1 75 GLY H 4.000 . 4.500 3.354 2.760 4.011 . 0 0 "[ . 1 . 2]" 1
1234 1 74 ASP H 1 75 GLY H 2.800 . 3.300 2.377 2.287 2.459 . 0 0 "[ . 1 . 2]" 1
1235 1 72 THR H 1 76 LYS H 4.000 . 4.500 2.878 2.568 3.133 . 0 0 "[ . 1 . 2]" 1
1236 1 74 ASP H 1 76 LYS QB 4.000 . 4.500 4.069 3.982 4.173 . 0 0 "[ . 1 . 2]" 1
1237 1 74 ASP QB 1 76 LYS H 4.000 . 4.500 4.207 3.210 4.961 0.461 14 0 "[ . 1 . 2]" 1
1238 1 74 ASP H 1 76 LYS H 4.000 . 4.500 3.605 3.461 3.929 . 0 0 "[ . 1 . 2]" 1
1239 1 75 GLY H 1 76 LYS QB 4.000 . 4.500 3.659 3.576 3.726 . 0 0 "[ . 1 . 2]" 1
1240 1 75 GLY H 1 76 LYS QG 4.000 . 4.500 4.821 4.616 5.220 0.720 14 2 "[ - . 1 +. 2]" 1
1241 1 75 GLY HA2 1 76 LYS H 4.000 . 4.500 2.955 2.716 3.095 . 0 0 "[ . 1 . 2]" 1
1242 1 75 GLY H 1 76 LYS H 2.800 . 3.300 2.086 1.910 2.341 . 0 0 "[ . 1 . 2]" 1
1243 1 76 LYS H 1 77 LYS HA 5.500 . 6.000 5.028 4.779 5.162 . 0 0 "[ . 1 . 2]" 1
1244 1 76 LYS HA 1 77 LYS H 2.800 . 3.300 2.228 2.216 2.246 . 0 0 "[ . 1 . 2]" 1
1245 1 76 LYS QB 1 77 LYS H 2.800 . 3.300 3.407 3.262 3.603 0.303 14 0 "[ . 1 . 2]" 1
1246 1 76 LYS QG 1 77 LYS H 2.800 . 3.300 3.352 3.067 3.457 0.157 16 0 "[ . 1 . 2]" 1
1247 1 77 LYS HA 1 78 LEU H 2.800 . 3.300 2.236 2.223 2.258 . 0 0 "[ . 1 . 2]" 1
1248 1 78 LEU H 1 79 LYS QG 4.000 . 4.500 4.426 4.299 4.502 0.002 17 0 "[ . 1 . 2]" 1
1249 1 78 LEU MD1 1 79 LYS H 4.000 . 4.500 3.765 3.474 3.966 . 0 0 "[ . 1 . 2]" 1
1250 1 79 LYS H 1 79 LYS QG 2.800 . 3.300 2.180 2.004 2.740 . 0 0 "[ . 1 . 2]" 1
1251 1 68 ALA H 1 80 CYS H 2.800 . 3.300 2.931 2.714 3.107 . 0 0 "[ . 1 . 2]" 1
1252 1 79 LYS HA 1 80 CYS H 2.800 . 3.300 2.373 2.272 2.510 . 0 0 "[ . 1 . 2]" 1
1253 1 79 LYS QB 1 80 CYS H 2.800 . 3.300 2.763 2.471 3.019 . 0 0 "[ . 1 . 2]" 1
1254 1 65 GLY H 1 81 THR MG 4.000 . 4.500 3.165 2.680 4.419 . 0 0 "[ . 1 . 2]" 1
1255 1 66 LYS H 1 81 THR MG 4.000 . 4.500 2.910 2.232 3.746 . 0 0 "[ . 1 . 2]" 1
1256 1 67 GLU QG 1 81 THR H 4.000 . 4.500 4.444 4.240 4.625 0.125 19 0 "[ . 1 . 2]" 1
1257 1 66 LYS H 1 82 VAL MG2 5.500 . 6.000 5.842 5.449 6.072 0.072 20 0 "[ . 1 . 2]" 1
1258 1 81 THR HA 1 82 VAL H 2.800 . 3.300 2.297 2.239 2.376 . 0 0 "[ . 1 . 2]" 1
1259 1 65 GLY H 1 83 HIS HA 4.000 . 4.500 3.752 3.362 4.061 . 0 0 "[ . 1 . 2]" 1
1260 1 82 VAL HA 1 83 HIS H 2.800 . 3.300 2.283 2.249 2.367 . 0 0 "[ . 1 . 2]" 1
1261 1 82 VAL MG1 1 83 HIS H 4.000 . 4.500 2.420 2.194 2.555 . 0 0 "[ . 1 . 2]" 1
1262 1 83 HIS HA 1 84 LEU H 2.800 . 3.300 2.345 2.277 2.407 . 0 0 "[ . 1 . 2]" 1
1263 1 83 HIS QB 1 84 LEU H 2.800 . 3.300 2.900 2.655 3.307 0.007 11 0 "[ . 1 . 2]" 1
1264 1 84 LEU HA 1 85 ALA H 2.800 . 3.300 2.237 2.214 2.285 . 0 0 "[ . 1 . 2]" 1
1265 1 84 LEU QB 1 85 ALA H 4.000 . 4.500 3.497 3.264 3.830 . 0 0 "[ . 1 . 2]" 1
1266 1 84 LEU H 1 85 ALA H 4.000 . 4.500 4.422 4.148 4.541 0.041 2 0 "[ . 1 . 2]" 1
1267 1 84 LEU QB 1 87 GLY H 4.000 . 4.500 4.075 3.746 4.496 . 0 0 "[ . 1 . 2]" 1
1268 1 84 LEU MD2 1 87 GLY H 4.000 . 4.500 4.176 3.146 4.553 0.053 8 0 "[ . 1 . 2]" 1
1269 1 86 ASN QB 1 87 GLY H 4.000 . 4.500 3.683 3.499 3.838 . 0 0 "[ . 1 . 2]" 1
1270 1 86 ASN H 1 87 GLY H 2.800 . 3.300 2.766 2.640 2.953 . 0 0 "[ . 1 . 2]" 1
1271 1 85 ALA HA 1 88 LYS H 4.000 . 4.500 4.353 4.202 4.493 . 0 0 "[ . 1 . 2]" 1
1272 1 85 ALA H 1 88 LYS H 2.800 . 3.300 2.529 2.313 2.903 . 0 0 "[ . 1 . 2]" 1
1273 1 87 GLY HA3 1 88 LYS H 4.000 . 4.500 3.565 3.543 3.583 . 0 0 "[ . 1 . 2]" 1
1274 1 87 GLY HA2 1 88 LYS H 4.000 . 4.500 2.795 2.690 2.882 . 0 0 "[ . 1 . 2]" 1
1275 1 87 GLY H 1 88 LYS H 2.800 . 3.300 2.558 2.422 2.822 . 0 0 "[ . 1 . 2]" 1
1276 1 83 HIS H 1 89 LEU HG 4.000 . 4.500 3.422 2.745 3.982 . 0 0 "[ . 1 . 2]" 1
1277 1 88 LYS HA 1 89 LEU H 2.800 . 3.300 2.218 2.210 2.236 . 0 0 "[ . 1 . 2]" 1
1278 1 88 LYS QB 1 89 LEU H 4.000 . 4.500 3.397 3.201 3.722 . 0 0 "[ . 1 . 2]" 1
1279 1 83 HIS H 1 90 VAL HB 4.000 . 4.500 4.322 4.070 5.175 0.675 6 2 "[ .+ 1 . -2]" 1
1280 1 83 HIS H 1 90 VAL H 2.800 . 3.300 2.712 2.343 3.027 . 0 0 "[ . 1 . 2]" 1
1281 1 85 ALA H 1 90 VAL MG2 4.000 . 4.500 3.329 2.658 3.940 . 0 0 "[ . 1 . 2]" 1
1282 1 89 LEU HA 1 90 VAL H 2.800 . 3.300 2.253 2.212 2.306 . 0 0 "[ . 1 . 2]" 1
1283 1 89 LEU MD2 1 90 VAL H 4.000 . 4.500 2.691 2.379 3.186 . 0 0 "[ . 1 . 2]" 1
1284 1 89 LEU HG 1 90 VAL H 2.800 . 3.300 2.665 2.373 3.046 . 0 0 "[ . 1 . 2]" 1
1285 1 90 VAL HA 1 91 THR H 2.800 . 3.300 2.218 2.210 2.234 . 0 0 "[ . 1 . 2]" 1
1286 1 91 THR HB 1 92 LYS H 4.000 . 4.500 4.500 4.464 4.563 0.063 4 0 "[ . 1 . 2]" 1
1287 1 91 THR HG1 1 92 LYS H 4.000 . 4.500 4.550 3.425 4.716 0.216 16 0 "[ . 1 . 2]" 1
1288 1 91 THR HA 1 92 LYS H 2.800 . 3.300 2.308 2.240 2.381 . 0 0 "[ . 1 . 2]" 1
1289 1 92 LYS H 1 93 SER HA 5.500 . 6.000 5.293 5.196 5.416 . 0 0 "[ . 1 . 2]" 1
1290 1 92 LYS QB 1 93 SER H 2.800 . 3.300 2.656 2.432 2.878 . 0 0 "[ . 1 . 2]" 1
1291 1 92 LYS H 1 93 SER H 4.000 . 4.500 4.622 4.603 4.644 0.144 18 0 "[ . 1 . 2]" 1
1292 1 93 SER H 1 95 LYS QG 4.000 . 4.500 5.247 5.124 5.520 1.020 18 20 [***********-*****+**] 1
1293 1 93 SER QB 1 96 PHE H 2.800 . 3.300 2.725 2.393 2.974 . 0 0 "[ . 1 . 2]" 1
1294 1 93 SER H 1 96 PHE H 2.800 . 3.300 3.603 3.472 3.733 0.433 2 0 "[ . 1 . 2]" 1
1295 1 95 LYS HD2 1 96 PHE HD2 2.800 . 3.300 2.159 1.653 3.721 0.421 9 0 "[ . 1 . 2]" 1
1296 1 95 LYS H 1 96 PHE H 2.800 . 3.300 1.523 1.506 1.596 0.294 7 0 "[ . 1 . 2]" 1
1297 1 93 SER H 1 97 SER HA 4.000 . 4.500 3.136 2.969 3.254 . 0 0 "[ . 1 . 2]" 1
1298 1 96 PHE HA 1 97 SER H 2.800 . 3.300 2.282 2.251 2.302 . 0 0 "[ . 1 . 2]" 1
1299 1 96 PHE QB 1 97 SER H 2.800 . 3.300 3.042 2.964 3.136 . 0 0 "[ . 1 . 2]" 1
1300 1 96 PHE H 1 97 SER H 4.000 . 4.500 4.225 4.150 4.272 . 0 0 "[ . 1 . 2]" 1
1301 1 91 THR H 1 98 HIS H 4.000 . 4.500 3.204 3.025 3.423 . 0 0 "[ . 1 . 2]" 1
1302 1 97 SER HA 1 98 HIS H 2.800 . 3.300 2.389 2.330 2.539 . 0 0 "[ . 1 . 2]" 1
1303 1 97 SER QB 1 98 HIS H 4.000 . 4.500 2.920 2.571 3.487 . 0 0 "[ . 1 . 2]" 1
1304 1 98 HIS HA 1 99 GLU H 2.800 . 3.300 2.256 2.231 2.286 . 0 0 "[ . 1 . 2]" 1
1305 1 98 HIS H 1 99 GLU H 4.000 . 4.500 4.356 4.265 4.419 . 0 0 "[ . 1 . 2]" 1
1306 1 89 LEU H 1 100 GLN H 4.000 . 4.500 4.005 3.780 4.257 . 0 0 "[ . 1 . 2]" 1
1307 1 88 LYS QB 1 101 GLU H 5.500 . 6.000 5.486 4.886 6.299 0.299 17 0 "[ . 1 . 2]" 1
1308 1 100 GLN HA 1 101 GLU H 2.800 . 3.300 2.367 2.315 2.416 . 0 0 "[ . 1 . 2]" 1
1309 1 3 SER H 1 102 VAL MG2 5.500 . 6.000 5.522 4.764 5.910 . 0 0 "[ . 1 . 2]" 1
1310 1 101 GLU HA 1 102 VAL H 2.800 . 3.300 2.346 2.278 2.425 . 0 0 "[ . 1 . 2]" 1
1311 1 101 GLU QB 1 102 VAL H 2.800 . 3.300 3.303 2.790 3.585 0.285 12 0 "[ . 1 . 2]" 1
1312 1 102 VAL HA 1 103 LYS H 2.800 . 3.300 2.248 2.218 2.268 . 0 0 "[ . 1 . 2]" 1
1313 1 102 VAL MG2 1 103 LYS H 4.000 . 4.500 2.638 2.266 4.113 . 0 0 "[ . 1 . 2]" 1
1314 1 6 TRP HZ3 1 107 MET H 4.000 . 4.500 3.468 2.922 3.882 . 0 0 "[ . 1 . 2]" 1
1315 1 103 LYS H 1 107 MET H 5.500 . 6.000 4.887 4.711 5.096 . 0 0 "[ . 1 . 2]" 1
1316 1 106 GLU QB 1 107 MET H 4.000 . 4.500 2.731 2.501 2.925 . 0 0 "[ . 1 . 2]" 1
1317 1 107 MET QG 1 108 VAL H 2.800 . 3.300 2.886 2.270 3.330 0.030 16 0 "[ . 1 . 2]" 1
1318 1 108 VAL HA 1 109 GLU H 2.800 . 3.300 2.214 2.211 2.229 . 0 0 "[ . 1 . 2]" 1
1319 1 108 VAL MG1 1 109 GLU H 4.000 . 4.500 2.833 2.654 2.973 . 0 0 "[ . 1 . 2]" 1
1320 1 109 GLU HA 1 110 THR H 2.800 . 3.300 2.220 2.210 2.237 . 0 0 "[ . 1 . 2]" 1
1321 1 97 SER H 1 111 ILE MG 4.000 . 4.500 3.573 3.374 3.785 . 0 0 "[ . 1 . 2]" 1
1322 1 99 GLU H 1 111 ILE QG 4.000 . 4.500 2.630 2.208 3.037 . 0 0 "[ . 1 . 2]" 1
1323 1 110 THR H 1 111 ILE QG 4.000 . 4.500 3.636 3.481 3.785 . 0 0 "[ . 1 . 2]" 1
1324 1 97 SER H 1 112 THR H 4.000 . 4.500 3.327 2.942 3.655 . 0 0 "[ . 1 . 2]" 1
1325 1 111 ILE HA 1 112 THR H 2.800 . 3.300 2.225 2.214 2.251 . 0 0 "[ . 1 . 2]" 1
1326 1 112 THR HA 1 113 PHE H 2.800 . 3.300 2.235 2.212 2.267 . 0 0 "[ . 1 . 2]" 1
1327 1 96 PHE HA 1 114 GLY H 4.000 . 4.500 4.489 4.308 4.614 0.114 5 0 "[ . 1 . 2]" 1
1328 1 113 PHE HA 1 114 GLY H 2.800 . 3.300 2.213 2.210 2.217 . 0 0 "[ . 1 . 2]" 1
1329 1 113 PHE QB 1 114 GLY H 4.000 . 4.500 3.832 3.797 3.873 . 0 0 "[ . 1 . 2]" 1
1330 1 113 PHE HD1 1 114 GLY H 4.000 . 4.500 3.244 2.846 3.890 . 0 0 "[ . 1 . 2]" 1
1331 1 112 THR MG 1 115 GLY H 5.500 . 6.000 4.189 3.247 5.940 . 0 0 "[ . 1 . 2]" 1
1332 1 17 PHE H 1 116 VAL MG1 4.000 . 4.500 3.111 2.695 3.836 . 0 0 "[ . 1 . 2]" 1
1333 1 20 ALA H 1 116 VAL MG1 4.000 . 4.500 4.474 4.229 4.621 0.121 5 0 "[ . 1 . 2]" 1
1334 1 113 PHE H 1 116 VAL H 2.800 . 3.300 2.833 2.708 2.959 . 0 0 "[ . 1 . 2]" 1
1335 1 115 GLY HA3 1 116 VAL H 2.800 . 3.300 3.359 3.306 3.405 0.105 9 0 "[ . 1 . 2]" 1
1336 1 115 GLY HA2 1 116 VAL H 2.800 . 3.300 3.223 3.161 3.283 . 0 0 "[ . 1 . 2]" 1
1337 1 115 GLY H 1 116 VAL H 4.000 . 4.500 2.594 2.547 2.640 . 0 0 "[ . 1 . 2]" 1
1338 1 113 PHE H 1 117 THR HA 2.800 . 3.300 3.468 3.357 3.568 0.268 2 0 "[ . 1 . 2]" 1
1339 1 116 VAL HA 1 117 THR H 2.800 . 3.300 2.255 2.235 2.292 . 0 0 "[ . 1 . 2]" 1
1340 1 116 VAL MG1 1 117 THR H 4.000 . 4.500 2.504 2.330 2.608 . 0 0 "[ . 1 . 2]" 1
1341 1 111 ILE HB 1 118 LEU H 4.000 . 4.500 3.567 3.331 3.855 . 0 0 "[ . 1 . 2]" 1
1342 1 112 THR HA 1 118 LEU H 4.000 . 4.500 3.311 3.138 3.468 . 0 0 "[ . 1 . 2]" 1
1343 1 117 THR HA 1 118 LEU H 2.800 . 3.300 2.224 2.215 2.236 . 0 0 "[ . 1 . 2]" 1
1344 1 12 GLU H 1 119 ILE MG 4.000 . 4.500 4.387 4.146 4.626 0.126 5 0 "[ . 1 . 2]" 1
1345 1 12 GLU H 1 119 ILE H 4.000 . 4.500 3.499 3.003 3.863 . 0 0 "[ . 1 . 2]" 1
1346 1 13 ASN QB 1 119 ILE H 4.000 . 4.500 3.967 3.650 4.423 . 0 0 "[ . 1 . 2]" 1
1347 1 118 LEU QD 1 119 ILE H 4.000 . 4.500 2.060 1.830 2.467 . 0 0 "[ . 1 . 2]" 1
1348 1 109 GLU H 1 120 ARG QB 2.800 . 3.300 3.176 2.904 3.491 0.191 15 0 "[ . 1 . 2]" 1
1349 1 9 TYR H 1 121 ARG QB 4.000 . 4.500 3.953 3.653 4.073 . 0 0 "[ . 1 . 2]" 1
1350 1 107 MET H 1 121 ARG HA 4.000 . 4.500 4.556 4.452 4.667 0.167 5 0 "[ . 1 . 2]" 1
1351 1 120 ARG HA 1 121 ARG H 2.800 . 3.300 2.215 2.211 2.223 . 0 0 "[ . 1 . 2]" 1
1352 1 9 TYR H 1 122 SER HA 4.000 . 4.500 2.806 2.018 3.209 . 0 0 "[ . 1 . 2]" 1
1353 1 108 VAL HA 1 122 SER H 4.000 . 4.500 3.342 3.224 3.548 . 0 0 "[ . 1 . 2]" 1
1354 1 109 GLU QB 1 122 SER H 5.500 . 6.000 5.371 5.045 5.584 . 0 0 "[ . 1 . 2]" 1
1355 1 109 GLU H 1 122 SER H 4.000 . 4.500 4.503 4.359 4.662 0.162 17 0 "[ . 1 . 2]" 1
1356 1 121 ARG HA 1 122 SER H 2.800 . 3.300 2.220 2.211 2.264 . 0 0 "[ . 1 . 2]" 1
1357 1 121 ARG QG 1 122 SER H 4.000 . 4.500 3.964 3.683 4.486 . 0 0 "[ . 1 . 2]" 1
1358 1 121 ARG H 1 122 SER H 4.000 . 4.500 4.475 4.400 4.561 0.061 17 0 "[ . 1 . 2]" 1
1359 1 6 TRP HE3 1 123 LYS H 4.000 . 4.500 3.739 3.480 4.066 . 0 0 "[ . 1 . 2]" 1
1360 1 7 GLN H 1 123 LYS H 4.000 . 4.500 2.354 1.994 2.957 . 0 0 "[ . 1 . 2]" 1
1361 1 9 TYR H 1 123 LYS QB 5.500 . 6.000 5.074 4.629 5.658 . 0 0 "[ . 1 . 2]" 1
1362 1 122 SER HA 1 123 LYS H 4.000 . 4.500 2.342 2.235 2.451 . 0 0 "[ . 1 . 2]" 1
1363 1 122 SER QB 1 123 LYS H 2.800 . 3.300 2.846 2.536 3.462 0.162 17 0 "[ . 1 . 2]" 1
1364 1 5 THR H 1 124 ARG QG 2.800 . 3.300 3.154 2.929 3.823 0.523 15 2 "[ . 1 + -2]" 1
1365 1 6 TRP HZ3 1 124 ARG H 4.000 . 4.500 2.782 2.500 3.152 . 0 0 "[ . 1 . 2]" 1
1366 1 123 LYS HA 1 124 ARG H 2.800 . 3.300 2.351 2.288 2.398 . 0 0 "[ . 1 . 2]" 1
1367 1 123 LYS QB 1 124 ARG H 2.800 . 3.300 3.322 2.992 3.509 0.209 19 0 "[ . 1 . 2]" 1
1368 1 6 TRP HA 1 125 VAL H 4.000 . 4.500 3.741 2.892 4.171 . 0 0 "[ . 1 . 2]" 1
1369 1 124 ARG HA 1 125 VAL H 2.800 . 3.300 2.235 2.227 2.253 . 0 0 "[ . 1 . 2]" 1
1370 1 124 ARG QB 1 125 VAL H 4.000 . 4.500 3.747 3.665 3.786 . 0 0 "[ . 1 . 2]" 1
1371 1 124 ARG QG 1 125 VAL H 2.800 . 3.300 2.675 2.558 2.731 . 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 219
_Distance_constraint_stats_list.Viol_count 1048
_Distance_constraint_stats_list.Viol_total 6090.366
_Distance_constraint_stats_list.Viol_max 2.343
_Distance_constraint_stats_list.Viol_rms 0.2008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0695
_Distance_constraint_stats_list.Viol_average_violations_only 0.2906
_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 14 TYR 9.575 0.852 20 8 "[ * * -**1 * . * +]"
1 17 PHE 21.845 2.343 10 4 "[* * *+ . 2]"
1 18 LEU 17.187 0.918 7 12 "[ ***+*** * ** * -]"
1 21 LEU 18.696 0.709 1 1 "[+ . 1 . 2]"
1 23 LEU 2.150 0.284 8 0 "[ . 1 . 2]"
1 27 LEU 8.401 0.378 7 0 "[ . 1 . 2]"
1 31 ALA 9.224 0.772 7 3 "[ *. + - . 2]"
1 34 ILE 31.506 1.249 9 19 [-*******+**********2]
1 36 PRO 3.339 0.447 19 0 "[ . 1 . 2]"
1 39 GLU 37.614 2.340 4 19 [***+***********-***2]
1 49 VAL 1.160 0.487 6 0 "[ . 1 . 2]"
1 52 LYS 37.614 2.340 4 19 [***+***********-***2]
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 7.961 0.400 17 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.148 0.148 3 0 "[ . 1 . 2]"
1 68 ALA 6.086 0.618 12 2 "[ . - + . 2]"
1 70 ILE 9.667 0.446 10 0 "[ . 1 . 2]"
1 72 THR 12.022 0.531 4 1 "[ +. 1 . 2]"
1 73 MET 8.077 0.368 1 0 "[ . 1 . 2]"
1 74 ASP 10.787 0.710 13 12 "[ ***** * +**- * *]"
1 76 LYS 12.950 0.738 4 7 "[***+. 1 *-. *]"
1 78 LEU 12.642 0.493 2 0 "[ . 1 . 2]"
1 80 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 7.830 0.480 8 0 "[ . 1 . 2]"
1 89 LEU 9.147 0.552 20 3 "[- . 1 . * +]"
1 91 THR 11.368 0.495 8 0 "[ . 1 . 2]"
1 96 PHE 9.675 0.446 16 0 "[ . 1 . 2]"
1 98 HIS 1.882 0.191 12 0 "[ . 1 . 2]"
1 111 ILE 22.298 0.466 4 0 "[ . 1 . 2]"
1 118 LEU 0.584 0.094 6 0 "[ . 1 . 2]"
2 1 JN3 155.829 2.343 10 20 [-********+**********]
3 1 JN3 111.771 0.738 4 10 "[-**+. * ***. * *]"
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 14 TYR CD1 2 1 JN3 C18 6.000 3.000 6.500 6.568 5.857 7.093 0.593 13 6 "[ * * -* 1 + . * 2]" 2
2 1 14 TYR CE2 2 1 JN3 C18 5.000 . 5.500 5.175 4.781 5.624 0.124 17 0 "[ . 1 . 2]" 2
3 1 18 LEU CD1 2 1 JN3 C18 4.000 . 4.500 4.789 4.004 5.418 0.918 7 5 "[ *.*+ * . - 2]" 2
4 1 18 LEU CD2 2 1 JN3 C18 4.000 . 4.500 4.555 3.948 5.226 0.726 5 3 "[ + - *1 . 2]" 2
5 1 23 LEU CD1 2 1 JN3 C18 5.000 . 5.500 5.325 4.948 5.583 0.083 16 0 "[ . 1 . 2]" 2
6 1 27 LEU CG 2 1 JN3 C18 5.000 . 5.500 5.429 5.247 5.714 0.214 8 0 "[ . 1 . 2]" 2
7 1 27 LEU CD1 2 1 JN3 C18 5.000 . 5.500 5.614 5.487 5.726 0.226 8 0 "[ . 1 . 2]" 2
8 1 27 LEU CD2 2 1 JN3 C18 5.000 . 5.500 5.516 5.246 5.741 0.241 8 0 "[ . 1 . 2]" 2
9 1 31 ALA CA 2 1 JN3 C18 5.000 . 5.500 4.855 4.321 5.502 0.002 4 0 "[ . 1 . 2]" 2
10 1 31 ALA CB 2 1 JN3 C18 4.000 . 4.500 3.585 3.107 4.174 . 0 0 "[ . 1 . 2]" 2
11 1 34 ILE CD1 2 1 JN3 C18 6.000 3.000 6.500 6.578 6.029 7.082 0.582 9 1 "[ . +1 . 2]" 2
12 1 34 ILE CG2 2 1 JN3 C18 6.000 3.000 6.500 6.318 5.875 6.548 0.048 3 0 "[ . 1 . 2]" 2
13 1 36 PRO CG 2 1 JN3 C18 6.000 3.000 6.500 6.354 5.836 6.718 0.218 17 0 "[ . 1 . 2]" 2
14 1 73 MET CE 2 1 JN3 C18 6.000 3.000 6.500 5.544 5.379 5.727 . 0 0 "[ . 1 . 2]" 2
15 1 74 ASP CB 2 1 JN3 C18 7.000 4.000 7.500 6.478 6.203 6.662 . 0 0 "[ . 1 . 2]" 2
16 1 14 TYR CD1 2 1 JN3 C19 5.000 3.000 5.500 4.976 4.078 6.352 0.852 20 2 "[ . -1 . +]" 2
17 1 14 TYR CE1 2 1 JN3 C19 5.000 3.000 5.500 4.189 3.223 5.670 0.170 20 0 "[ . 1 . 2]" 2
18 1 14 TYR CE2 2 1 JN3 C19 5.000 3.000 5.500 5.314 4.142 5.658 0.158 8 0 "[ . 1 . 2]" 2
19 1 17 PHE CD2 2 1 JN3 C19 6.000 3.000 6.500 4.781 3.725 7.061 0.561 10 1 "[ . + . 2]" 2
20 1 17 PHE CE2 2 1 JN3 C19 4.000 . 4.500 4.621 3.662 6.843 2.343 10 4 "[* - *+ . 2]" 2
21 1 17 PHE CZ 2 1 JN3 C19 5.000 . 5.500 5.367 4.725 5.691 0.191 10 0 "[ . 1 . 2]" 2
22 1 18 LEU CD2 2 1 JN3 C19 4.000 . 4.500 3.975 3.080 5.189 0.689 15 3 "[ . 1 +* -]" 2
23 1 21 LEU CD1 2 1 JN3 C19 6.000 3.000 6.500 6.620 6.091 7.209 0.709 1 1 "[+ . 1 . 2]" 2
24 1 21 LEU CD2 2 1 JN3 C19 5.000 . 5.500 5.764 5.579 5.932 0.432 14 0 "[ . 1 . 2]" 2
25 1 23 LEU CD1 2 1 JN3 C19 6.000 3.000 6.500 6.441 6.164 6.784 0.284 8 0 "[ . 1 . 2]" 2
26 1 111 ILE CD1 2 1 JN3 C19 5.000 . 5.500 5.626 5.179 5.842 0.342 2 0 "[ . 1 . 2]" 2
27 1 118 LEU CD2 2 1 JN3 C19 4.000 . 4.500 4.224 3.875 4.584 0.084 7 0 "[ . 1 . 2]" 2
28 1 27 LEU CG 2 1 JN3 C21 6.000 3.000 6.500 6.514 6.265 6.878 0.378 7 0 "[ . 1 . 2]" 2
29 1 31 ALA CA 2 1 JN3 C21 4.000 . 4.500 4.801 4.466 5.272 0.772 7 2 "[ . + - . 2]" 2
30 1 34 ILE CA 2 1 JN3 C21 5.000 3.000 5.500 5.537 5.276 5.696 0.196 1 0 "[ . 1 . 2]" 2
31 1 34 ILE CB 2 1 JN3 C21 4.000 . 4.500 4.196 3.898 4.345 . 0 0 "[ . 1 . 2]" 2
32 1 34 ILE CG1 2 1 JN3 C21 5.000 3.000 5.500 4.793 4.444 5.015 . 0 0 "[ . 1 . 2]" 2
33 1 34 ILE CG2 2 1 JN3 C21 4.000 . 4.500 3.543 3.322 3.716 . 0 0 "[ . 1 . 2]" 2
34 1 34 ILE CD1 2 1 JN3 C21 5.000 . 5.500 4.022 3.659 4.292 . 0 0 "[ . 1 . 2]" 2
35 1 36 PRO CG 2 1 JN3 C21 5.000 . 5.500 4.833 4.602 5.094 . 0 0 "[ . 1 . 2]" 2
36 1 53 THR CG2 2 1 JN3 C21 4.000 . 4.500 3.472 2.839 4.123 . 0 0 "[ . 1 . 2]" 2
37 1 55 ARG CB 2 1 JN3 C21 6.000 3.000 6.500 6.699 6.469 6.900 0.400 17 0 "[ . 1 . 2]" 2
38 1 73 MET CB 2 1 JN3 C21 5.000 . 5.500 5.052 4.583 5.285 . 0 0 "[ . 1 . 2]" 2
39 1 73 MET CE 2 1 JN3 C21 4.000 . 4.500 4.084 3.626 4.360 . 0 0 "[ . 1 . 2]" 2
40 1 36 PRO CG 2 1 JN3 C1 6.000 3.000 6.500 6.568 5.985 6.947 0.447 19 0 "[ . 1 . 2]" 2
41 1 111 ILE CD1 2 1 JN3 C1 4.000 . 4.500 4.390 4.046 4.605 0.105 14 0 "[ . 1 . 2]" 2
42 1 118 LEU CD2 2 1 JN3 C1 5.000 . 5.500 5.018 4.609 5.331 . 0 0 "[ . 1 . 2]" 2
43 1 118 LEU CD2 2 1 JN3 C2 6.000 3.000 6.500 6.313 5.888 6.594 0.094 6 0 "[ . 1 . 2]" 2
44 1 111 ILE CD1 2 1 JN3 C3 4.000 . 4.500 3.757 3.381 3.933 . 0 0 "[ . 1 . 2]" 2
45 1 111 ILE CG2 2 1 JN3 C3 5.000 . 5.500 5.778 5.488 5.966 0.466 4 0 "[ . 1 . 2]" 2
46 1 111 ILE CG2 2 1 JN3 C4 6.000 3.000 6.500 6.005 5.741 6.217 . 0 0 "[ . 1 . 2]" 2
47 1 111 ILE CD1 2 1 JN3 C4 4.000 . 4.500 4.638 4.198 4.850 0.350 7 0 "[ . 1 . 2]" 2
48 1 17 PHE CE2 2 1 JN3 C5 5.000 3.000 5.500 4.772 3.760 6.930 1.430 10 4 "[* - *+ . 2]" 2
49 1 21 LEU CD2 2 1 JN3 C5 5.000 3.000 5.500 4.950 4.696 5.192 . 0 0 "[ . 1 . 2]" 2
50 1 111 ILE CG2 2 1 JN3 C5 6.000 3.000 6.500 5.759 5.387 6.018 . 0 0 "[ . 1 . 2]" 2
51 1 111 ILE CD1 2 1 JN3 C5 5.000 . 5.500 4.660 4.191 4.889 . 0 0 "[ . 1 . 2]" 2
52 1 17 PHE CE2 2 1 JN3 C6 5.000 . 5.500 4.842 3.833 7.190 1.690 10 4 "[* - *+ . 2]" 2
53 1 17 PHE CZ 2 1 JN3 C6 6.000 3.000 6.500 5.238 4.719 5.809 . 0 0 "[ . 1 . 2]" 2
54 1 18 LEU CD2 2 1 JN3 C6 5.000 . 5.500 4.486 3.471 5.308 . 0 0 "[ . 1 . 2]" 2
55 1 21 LEU CD1 2 1 JN3 C6 4.000 . 4.500 4.781 4.587 4.949 0.449 19 0 "[ . 1 . 2]" 2
56 1 21 LEU CD2 2 1 JN3 C6 4.000 . 4.500 3.540 3.271 4.021 . 0 0 "[ . 1 . 2]" 2
57 1 23 LEU CD1 2 1 JN3 C6 5.000 . 5.500 5.161 4.789 5.747 0.247 8 0 "[ . 1 . 2]" 2
58 1 18 LEU CD2 2 1 JN3 C7 6.000 3.000 6.500 4.687 3.779 5.624 . 0 0 "[ . 1 . 2]" 2
59 1 21 LEU CD1 2 1 JN3 C7 6.000 4.000 6.500 5.777 5.062 6.021 . 0 0 "[ . 1 . 2]" 2
60 1 21 LEU CD2 2 1 JN3 C7 4.000 . 4.500 4.009 3.655 5.125 0.625 1 1 "[+ . 1 . 2]" 2
61 1 23 LEU CD1 2 1 JN3 C7 5.000 . 5.500 4.619 4.323 5.087 . 0 0 "[ . 1 . 2]" 2
62 1 23 LEU CD2 2 1 JN3 C7 6.000 3.000 6.500 5.992 5.291 6.552 0.052 8 0 "[ . 1 . 2]" 2
63 1 18 LEU CD2 2 1 JN3 C8 5.000 3.000 5.500 4.301 3.466 5.119 . 0 0 "[ . 1 . 2]" 2
64 1 23 LEU CD1 2 1 JN3 C8 5.000 . 5.500 4.801 4.605 5.067 . 0 0 "[ . 1 . 2]" 2
65 1 14 TYR CE1 2 1 JN3 C11 5.000 . 5.500 4.922 4.169 6.170 0.670 20 1 "[ . 1 . +]" 2
66 1 18 LEU CD2 2 1 JN3 C11 5.000 . 5.500 5.520 4.765 6.373 0.873 20 5 "[ . * 1 - ** +]" 2
67 1 14 TYR CE1 2 1 JN3 C12 6.000 3.000 6.500 5.938 5.275 6.766 0.266 20 0 "[ . 1 . 2]" 2
68 1 31 ALA CB 2 1 JN3 C12 5.000 . 5.500 5.646 5.281 6.052 0.552 4 1 "[ +. 1 . 2]" 2
69 1 34 ILE CG2 2 1 JN3 C12 5.000 . 5.500 5.903 5.623 6.040 0.540 9 4 "[- *. +1 * . 2]" 2
70 1 36 PRO CB 2 1 JN3 C12 5.000 . 5.500 5.132 4.604 5.545 0.045 17 0 "[ . 1 . 2]" 2
71 1 36 PRO CG 2 1 JN3 C12 5.000 . 5.500 4.380 3.965 4.665 . 0 0 "[ . 1 . 2]" 2
72 1 73 MET CB 2 1 JN3 C12 5.000 . 5.500 4.624 4.262 5.101 . 0 0 "[ . 1 . 2]" 2
73 1 73 MET CE 2 1 JN3 C12 5.000 . 5.500 3.236 3.148 3.431 . 0 0 "[ . 1 . 2]" 2
74 1 23 LEU CD1 2 1 JN3 C14 5.000 . 5.500 4.994 4.746 5.209 . 0 0 "[ . 1 . 2]" 2
75 1 73 MET CB 2 1 JN3 C14 5.000 . 5.500 4.198 3.823 4.648 . 0 0 "[ . 1 . 2]" 2
76 1 23 LEU CD1 2 1 JN3 C15 6.000 3.000 6.500 4.014 3.661 4.276 . 0 0 "[ . 1 . 2]" 2
77 1 23 LEU CD2 2 1 JN3 C15 5.000 . 5.500 4.949 4.234 5.559 0.059 10 0 "[ . 1 . 2]" 2
78 1 27 LEU CD1 2 1 JN3 C15 5.000 3.000 5.500 5.095 4.854 5.560 0.060 8 0 "[ . 1 . 2]" 2
79 1 27 LEU CD2 2 1 JN3 C15 5.000 3.000 5.500 4.045 3.734 4.581 . 0 0 "[ . 1 . 2]" 2
80 1 72 THR CB 2 1 JN3 C15 6.000 3.000 6.500 5.940 5.366 6.251 . 0 0 "[ . 1 . 2]" 2
81 1 73 MET CB 2 1 JN3 C15 4.000 . 4.500 4.533 4.223 4.748 0.248 12 0 "[ . 1 . 2]" 2
82 1 73 MET CG 2 1 JN3 C15 5.000 . 5.500 5.671 5.132 5.868 0.368 1 0 "[ . 1 . 2]" 2
83 1 73 MET CE 2 1 JN3 C15 5.000 . 5.500 5.585 5.236 5.753 0.253 20 0 "[ . 1 . 2]" 2
84 1 74 ASP CA 2 1 JN3 C15 4.000 . 4.500 4.218 3.787 4.568 0.068 12 0 "[ . 1 . 2]" 2
85 1 74 ASP CB 2 1 JN3 C15 4.000 . 4.500 3.610 3.225 3.841 . 0 0 "[ . 1 . 2]" 2
86 1 23 LEU CD2 2 1 JN3 C16 6.000 3.000 6.500 5.760 5.108 6.456 . 0 0 "[ . 1 . 2]" 2
87 1 27 LEU CD2 2 1 JN3 C16 5.000 . 5.500 3.691 3.466 4.093 . 0 0 "[ . 1 . 2]" 2
88 1 73 MET CA 2 1 JN3 C16 6.000 3.000 6.500 4.582 4.246 4.772 . 0 0 "[ . 1 . 2]" 2
89 1 73 MET CB 2 1 JN3 C16 5.000 . 5.500 4.000 3.680 4.189 . 0 0 "[ . 1 . 2]" 2
90 1 73 MET CG 2 1 JN3 C16 5.000 . 5.500 4.905 4.359 5.166 . 0 0 "[ . 1 . 2]" 2
91 1 73 MET CE 2 1 JN3 C16 5.000 . 5.500 5.157 4.823 5.421 . 0 0 "[ . 1 . 2]" 2
92 1 74 ASP CA 2 1 JN3 C16 5.000 . 5.500 3.943 3.777 4.103 . 0 0 "[ . 1 . 2]" 2
93 1 74 ASP CB 2 1 JN3 C16 5.000 . 5.500 3.837 3.621 3.957 . 0 0 "[ . 1 . 2]" 2
94 1 27 LEU CD1 2 1 JN3 C17 5.000 . 5.500 4.917 4.731 5.250 . 0 0 "[ . 1 . 2]" 2
95 1 34 ILE CD1 2 1 JN3 C17 5.000 . 5.500 6.365 5.953 6.749 1.249 9 19 [********+******-***2] 2
96 1 53 THR CG2 2 1 JN3 C17 6.000 3.000 6.500 5.411 4.851 6.043 . 0 0 "[ . 1 . 2]" 2
97 1 73 MET CA 2 1 JN3 C17 5.000 3.000 5.500 4.595 4.349 4.709 . 0 0 "[ . 1 . 2]" 2
98 1 73 MET CB 2 1 JN3 C17 4.000 . 4.500 3.537 3.263 3.663 . 0 0 "[ . 1 . 2]" 2
99 1 73 MET CG 2 1 JN3 C17 5.000 . 5.500 4.149 3.651 4.472 . 0 0 "[ . 1 . 2]" 2
100 1 73 MET CE 2 1 JN3 C17 5.000 3.000 5.500 3.850 3.545 4.096 . 0 0 "[ . 1 . 2]" 2
101 1 74 ASP CB 2 1 JN3 C17 5.000 . 5.500 5.236 5.111 5.367 . 0 0 "[ . 1 . 2]" 2
102 1 27 LEU CD1 2 1 JN3 C20 5.000 . 5.500 4.526 4.317 4.747 . 0 0 "[ . 1 . 2]" 2
103 1 31 ALA CB 2 1 JN3 C20 5.000 . 5.500 3.889 3.545 4.318 . 0 0 "[ . 1 . 2]" 2
104 1 34 ILE CD1 2 1 JN3 C20 6.000 3.000 6.500 4.783 4.399 5.148 . 0 0 "[ . 1 . 2]" 2
105 1 73 MET CB 2 1 JN3 C20 4.000 . 4.500 4.401 3.977 4.614 0.114 16 0 "[ . 1 . 2]" 2
106 1 73 MET CE 2 1 JN3 C20 5.000 . 5.500 4.339 3.932 4.627 . 0 0 "[ . 1 . 2]" 2
107 1 74 ASP CA 2 1 JN3 C20 5.000 . 5.500 6.035 5.876 6.210 0.710 13 12 "[ ***** * +**- * *]" 2
108 1 27 LEU CD1 2 1 JN3 C22 4.000 . 4.500 4.319 4.084 4.603 0.103 13 0 "[ . 1 . 2]" 2
109 1 27 LEU CD2 2 1 JN3 C22 5.000 . 5.500 5.632 5.493 5.781 0.281 10 0 "[ . 1 . 2]" 2
110 1 55 ARG CD 2 1 JN3 C22 5.000 . 5.500 5.698 5.558 5.833 0.333 6 0 "[ . 1 . 2]" 2
111 1 73 MET CB 2 1 JN3 C22 5.000 . 5.500 4.113 3.449 4.520 . 0 0 "[ . 1 . 2]" 2
112 1 73 MET CE 2 1 JN3 C22 5.000 . 5.500 4.681 4.217 5.071 . 0 0 "[ . 1 . 2]" 2
113 1 31 ALA CB 2 1 JN3 C23 5.000 . 5.500 4.876 4.262 5.498 . 0 0 "[ . 1 . 2]" 2
114 1 34 ILE CD1 2 1 JN3 C23 5.000 . 5.500 4.805 4.078 5.790 0.290 18 0 "[ . 1 . 2]" 2
115 1 53 THR CG2 2 1 JN3 C23 6.000 3.000 6.500 5.274 4.441 6.225 . 0 0 "[ . 1 . 2]" 2
116 1 55 ARG CD 2 1 JN3 C23 7.000 4.000 7.500 4.673 4.210 5.761 . 0 0 "[ . 1 . 2]" 2
117 1 27 LEU CD1 2 1 JN3 C23 5.000 . 5.500 3.606 3.139 4.383 . 0 0 "[ . 1 . 2]" 2
118 1 70 ILE CA 3 1 JN3 C18 6.000 3.000 6.500 6.061 5.756 6.697 0.197 12 0 "[ . 1 . 2]" 2
119 1 70 ILE CB 3 1 JN3 C18 6.000 3.000 6.500 4.667 4.333 5.362 . 0 0 "[ . 1 . 2]" 2
120 1 72 THR CG2 3 1 JN3 C18 6.000 3.000 6.500 5.922 5.499 6.381 . 0 0 "[ . 1 . 2]" 2
121 1 78 LEU CB 3 1 JN3 C18 6.000 3.000 6.500 5.803 5.729 5.880 . 0 0 "[ . 1 . 2]" 2
122 1 78 LEU CD1 3 1 JN3 C18 4.000 . 4.500 3.422 3.292 3.550 . 0 0 "[ . 1 . 2]" 2
123 1 80 CYS CB 3 1 JN3 C18 5.000 . 5.500 4.554 4.162 4.974 . 0 0 "[ . 1 . 2]" 2
124 1 91 THR CB 3 1 JN3 C18 5.000 . 5.500 5.498 5.220 5.775 0.275 4 0 "[ . 1 . 2]" 2
125 1 91 THR CG2 3 1 JN3 C18 4.000 . 4.500 4.621 4.379 4.995 0.495 8 0 "[ . 1 . 2]" 2
126 1 96 PHE CE2 3 1 JN3 C18 4.000 . 4.500 4.566 4.280 4.812 0.312 19 0 "[ . 1 . 2]" 2
127 1 96 PHE CZ 3 1 JN3 C18 6.000 3.000 6.500 3.724 3.395 4.010 . 0 0 "[ . 1 . 2]" 2
128 1 98 HIS CB 3 1 JN3 C18 6.000 3.000 6.500 5.718 5.536 5.832 . 0 0 "[ . 1 . 2]" 2
129 1 68 ALA CB 3 1 JN3 C19 6.000 3.000 6.500 6.804 6.609 7.118 0.618 12 2 "[ . - + . 2]" 2
130 1 62 PHE CE1 3 1 JN3 C19 6.000 3.000 6.500 4.654 3.879 5.018 . 0 0 "[ . 1 . 2]" 2
131 1 62 PHE CZ 3 1 JN3 C19 6.000 3.000 6.500 4.277 4.041 4.499 . 0 0 "[ . 1 . 2]" 2
132 1 70 ILE CB 3 1 JN3 C19 5.000 . 5.500 4.840 4.723 5.099 . 0 0 "[ . 1 . 2]" 2
133 1 70 ILE CG1 3 1 JN3 C19 5.000 . 5.500 3.822 3.665 4.372 . 0 0 "[ . 1 . 2]" 2
134 1 70 ILE CG2 3 1 JN3 C19 4.000 . 4.500 4.737 4.632 4.917 0.417 8 0 "[ . 1 . 2]" 2
135 1 70 ILE CD1 3 1 JN3 C19 4.000 . 4.500 3.945 2.941 4.338 . 0 0 "[ . 1 . 2]" 2
136 1 80 CYS CB 3 1 JN3 C19 5.000 . 5.500 4.816 4.434 5.401 . 0 0 "[ . 1 . 2]" 2
137 1 82 VAL CG1 3 1 JN3 C19 5.000 . 5.500 5.002 4.845 5.167 . 0 0 "[ . 1 . 2]" 2
138 1 82 VAL CG2 3 1 JN3 C19 4.000 . 4.500 3.203 2.999 3.438 . 0 0 "[ . 1 . 2]" 2
139 1 91 THR CG2 3 1 JN3 C19 4.000 . 4.500 4.122 3.855 4.586 0.086 8 0 "[ . 1 . 2]" 2
140 1 17 PHE CZ 3 1 JN3 C21 5.000 . 5.500 5.651 5.503 5.903 0.403 20 0 "[ . 1 . 2]" 2
141 1 21 LEU CD1 3 1 JN3 C21 5.000 3.000 5.500 5.677 5.544 5.908 0.408 20 0 "[ . 1 . 2]" 2
142 1 72 THR CG2 3 1 JN3 C21 6.000 3.000 6.500 6.556 6.313 6.785 0.285 12 0 "[ . 1 . 2]" 2
143 1 78 LEU CD1 3 1 JN3 C21 5.000 . 5.500 5.842 5.530 5.993 0.493 2 0 "[ . 1 . 2]" 2
144 1 78 LEU CD2 3 1 JN3 C21 6.000 3.000 6.500 6.790 6.622 6.970 0.470 20 0 "[ . 1 . 2]" 2
145 1 91 THR CG2 3 1 JN3 C21 6.000 3.000 6.500 6.657 6.122 6.834 0.334 18 0 "[ . 1 . 2]" 2
146 1 96 PHE CB 3 1 JN3 C21 5.000 . 5.500 3.892 3.743 4.053 . 0 0 "[ . 1 . 2]" 2
147 1 96 PHE CE2 3 1 JN3 C21 4.000 . 4.500 4.456 4.211 4.687 0.187 8 0 "[ . 1 . 2]" 2
148 1 98 HIS CA 3 1 JN3 C21 5.000 . 5.500 5.557 5.401 5.667 0.167 17 0 "[ . 1 . 2]" 2
149 1 98 HIS CB 3 1 JN3 C21 5.000 . 5.500 4.820 4.657 4.944 . 0 0 "[ . 1 . 2]" 2
150 1 98 HIS CD2 3 1 JN3 C21 5.000 . 5.500 4.987 4.794 5.085 . 0 0 "[ . 1 . 2]" 2
151 1 111 ILE CG2 3 1 JN3 C21 4.000 . 4.500 4.245 3.976 4.506 0.006 9 0 "[ . 1 . 2]" 2
152 1 111 ILE CD1 3 1 JN3 C21 5.000 3.000 5.500 5.467 5.199 5.718 0.218 1 0 "[ . 1 . 2]" 2
153 1 49 VAL CG2 3 1 JN3 C1 5.000 3.000 5.500 5.456 5.322 5.987 0.487 6 0 "[ . 1 . 2]" 2
154 1 62 PHE CZ 3 1 JN3 C1 5.000 3.000 5.500 4.003 3.804 4.288 . 0 0 "[ . 1 . 2]" 2
155 1 62 PHE CE1 3 1 JN3 C1 5.000 3.000 5.500 4.697 4.098 5.014 . 0 0 "[ . 1 . 2]" 2
156 1 82 VAL CG1 3 1 JN3 C1 5.000 3.000 5.500 4.275 4.185 4.422 . 0 0 "[ . 1 . 2]" 2
157 1 82 VAL CG2 3 1 JN3 C1 4.000 . 4.500 3.813 3.625 4.058 . 0 0 "[ . 1 . 2]" 2
158 1 91 THR CB 3 1 JN3 C1 4.000 . 4.500 4.182 3.953 4.590 0.090 4 0 "[ . 1 . 2]" 2
159 1 91 THR CG2 3 1 JN3 C1 4.000 . 4.500 4.662 4.258 4.782 0.282 5 0 "[ . 1 . 2]" 2
160 1 98 HIS CB 3 1 JN3 C1 5.000 3.000 5.500 5.492 5.384 5.691 0.191 12 0 "[ . 1 . 2]" 2
161 1 98 HIS CD2 3 1 JN3 C1 5.000 3.000 5.500 5.277 5.013 5.435 . 0 0 "[ . 1 . 2]" 2
162 1 49 VAL CG2 3 1 JN3 C2 5.000 3.000 5.500 5.112 4.927 5.743 0.243 3 0 "[ . 1 . 2]" 2
163 1 82 VAL CG2 3 1 JN3 C2 5.000 3.000 5.500 5.175 4.984 5.434 . 0 0 "[ . 1 . 2]" 2
164 1 89 LEU CG 3 1 JN3 C2 5.000 3.000 5.500 4.631 4.463 4.824 . 0 0 "[ . 1 . 2]" 2
165 1 89 LEU CD1 3 1 JN3 C2 6.000 3.000 6.500 4.683 4.345 5.123 . 0 0 "[ . 1 . 2]" 2
166 1 89 LEU CD2 3 1 JN3 C2 5.000 3.000 5.500 3.376 3.299 3.543 . 0 0 "[ . 1 . 2]" 2
167 1 98 HIS CE1 3 1 JN3 C2 4.000 . 4.500 3.479 3.201 3.750 . 0 0 "[ . 1 . 2]" 2
168 1 49 VAL CB 3 1 JN3 C3 6.000 3.000 6.500 4.260 4.024 4.646 . 0 0 "[ . 1 . 2]" 2
169 1 49 VAL CG1 3 1 JN3 C3 4.000 . 4.500 4.135 3.855 4.722 0.222 6 0 "[ . 1 . 2]" 2
170 1 49 VAL CG2 3 1 JN3 C3 4.000 . 4.500 3.616 3.394 4.380 . 0 0 "[ . 1 . 2]" 2
171 1 62 PHE CE1 3 1 JN3 C3 6.000 3.000 6.500 5.325 4.215 5.971 . 0 0 "[ . 1 . 2]" 2
172 1 62 PHE CZ 3 1 JN3 C3 4.000 . 4.500 4.268 4.066 4.648 0.148 3 0 "[ . 1 . 2]" 2
173 1 82 VAL CG1 3 1 JN3 C3 5.000 . 5.500 5.847 5.745 5.980 0.480 8 0 "[ . 1 . 2]" 2
174 1 82 VAL CG2 3 1 JN3 C3 7.000 4.000 7.500 5.876 5.688 6.061 . 0 0 "[ . 1 . 2]" 2
175 1 89 LEU CD1 3 1 JN3 C3 6.000 3.000 6.500 4.952 4.558 5.437 . 0 0 "[ . 1 . 2]" 2
176 1 89 LEU CD2 3 1 JN3 C3 5.000 . 5.500 4.419 4.266 4.648 . 0 0 "[ . 1 . 2]" 2
177 1 70 ILE CG2 3 1 JN3 C7 4.000 . 4.500 3.343 3.233 3.532 . 0 0 "[ . 1 . 2]" 2
178 1 70 ILE CD1 3 1 JN3 C7 4.000 . 4.500 3.998 3.781 4.235 . 0 0 "[ . 1 . 2]" 2
179 1 72 THR CA 3 1 JN3 C7 6.000 3.000 6.500 6.665 6.295 6.879 0.379 3 0 "[ . 1 . 2]" 2
180 1 72 THR CG2 3 1 JN3 C7 6.000 3.000 6.500 6.827 6.269 7.031 0.531 4 1 "[ +. 1 . 2]" 2
181 1 49 VAL CG1 3 1 JN3 C4 5.000 3.000 5.500 3.553 3.372 4.257 . 0 0 "[ . 1 . 2]" 2
182 1 49 VAL CG2 3 1 JN3 C4 5.000 3.000 5.500 3.600 3.344 3.922 . 0 0 "[ . 1 . 2]" 2
183 1 49 VAL CB 3 1 JN3 C5 5.000 3.000 5.500 4.298 4.156 4.719 . 0 0 "[ . 1 . 2]" 2
184 1 49 VAL CG1 3 1 JN3 C5 5.000 3.000 5.500 4.477 3.757 4.878 . 0 0 "[ . 1 . 2]" 2
185 1 49 VAL CG2 3 1 JN3 C5 5.000 3.000 5.500 4.166 3.685 4.499 . 0 0 "[ . 1 . 2]" 2
186 1 49 VAL CB 3 1 JN3 C6 5.000 3.000 5.500 4.555 4.304 4.999 . 0 0 "[ . 1 . 2]" 2
187 1 60 ASN CB 3 1 JN3 C6 5.000 3.000 5.500 4.273 3.799 4.590 . 0 0 "[ . 1 . 2]" 2
188 1 70 ILE CG2 3 1 JN3 C6 5.000 3.000 5.500 3.821 3.400 4.039 . 0 0 "[ . 1 . 2]" 2
189 1 70 ILE CD1 3 1 JN3 C6 4.000 . 4.500 3.237 2.995 3.640 . 0 0 "[ . 1 . 2]" 2
190 1 70 ILE CG2 3 1 JN3 C8 5.000 3.000 5.500 3.274 3.158 3.635 . 0 0 "[ . 1 . 2]" 2
191 1 70 ILE CD1 3 1 JN3 C8 5.000 3.000 5.500 4.402 4.009 4.562 . 0 0 "[ . 1 . 2]" 2
192 1 82 VAL CG2 3 1 JN3 C11 5.000 3.000 5.500 5.482 5.337 5.721 0.221 6 0 "[ . 1 . 2]" 2
193 1 89 LEU CD2 3 1 JN3 C11 5.000 3.000 5.500 5.957 5.869 6.052 0.552 20 3 "[- . 1 . * +]" 2
194 1 91 THR CB 3 1 JN3 C11 4.000 . 4.500 3.568 3.378 4.117 . 0 0 "[ . 1 . 2]" 2
195 1 91 THR CG2 3 1 JN3 C11 4.000 . 4.500 3.437 3.049 3.580 . 0 0 "[ . 1 . 2]" 2
196 1 98 HIS CB 3 1 JN3 C11 4.000 . 4.500 3.788 3.651 3.987 . 0 0 "[ . 1 . 2]" 2
197 1 98 HIS CD2 3 1 JN3 C11 5.000 3.000 5.500 3.859 3.608 4.062 . 0 0 "[ . 1 . 2]" 2
198 1 111 ILE CD1 3 1 JN3 C11 6.000 3.000 6.500 6.733 6.517 6.917 0.417 13 0 "[ . 1 . 2]" 2
199 1 96 PHE CE1 3 1 JN3 C12 5.000 3.000 5.500 4.628 4.358 4.944 . 0 0 "[ . 1 . 2]" 2
200 1 111 ILE CD1 3 1 JN3 C12 5.000 3.000 5.500 5.687 5.560 5.789 0.289 13 0 "[ . 1 . 2]" 2
201 1 70 ILE CG2 3 1 JN3 C15 4.000 . 4.500 3.270 3.143 3.986 . 0 0 "[ . 1 . 2]" 2
202 1 70 ILE CD1 3 1 JN3 C15 5.000 3.000 5.500 5.737 5.551 5.946 0.446 10 0 "[ . 1 . 2]" 2
203 1 72 THR CA 3 1 JN3 C15 5.000 3.000 5.500 4.615 4.462 4.931 . 0 0 "[ . 1 . 2]" 2
204 1 72 THR CB 3 1 JN3 C15 5.000 3.000 5.500 4.754 4.518 5.013 . 0 0 "[ . 1 . 2]" 2
205 1 72 THR CG2 3 1 JN3 C15 5.000 3.000 5.500 3.926 3.490 4.124 . 0 0 "[ . 1 . 2]" 2
206 1 78 LEU CD1 3 1 JN3 C15 5.000 3.000 5.500 5.069 4.752 5.300 . 0 0 "[ . 1 . 2]" 2
207 1 78 LEU CD2 3 1 JN3 C15 5.000 . 5.500 4.886 4.612 5.157 . 0 0 "[ . 1 . 2]" 2
208 1 72 THR CB 3 1 JN3 C16 5.000 3.000 5.500 4.398 4.264 4.762 . 0 0 "[ . 1 . 2]" 2
209 1 72 THR CG2 3 1 JN3 C16 4.000 . 4.500 3.327 3.145 3.429 . 0 0 "[ . 1 . 2]" 2
210 1 78 LEU CD1 3 1 JN3 C16 5.000 3.000 5.500 4.751 4.484 5.012 . 0 0 "[ . 1 . 2]" 2
211 1 78 LEU CD2 3 1 JN3 C16 5.000 3.000 5.500 4.525 4.274 4.772 . 0 0 "[ . 1 . 2]" 2
212 1 96 PHE CE2 3 1 JN3 C16 5.000 3.000 5.500 5.846 5.739 5.946 0.446 16 0 "[ . 1 . 2]" 2
213 1 76 LYS CD 3 1 JN3 C22 5.000 3.000 5.500 5.987 5.868 6.238 0.738 4 7 "[***+. 1 *-. *]" 2
214 1 21 LEU CD1 3 1 JN3 C23 5.000 3.000 5.500 5.049 4.108 5.590 0.090 10 0 "[ . 1 . 2]" 2
215 1 21 LEU CD2 3 1 JN3 C23 5.000 3.000 5.500 4.996 4.424 5.694 0.194 1 0 "[ . 1 . 2]" 2
216 1 96 PHE CD2 3 1 JN3 C23 5.000 3.000 5.500 3.765 3.191 4.226 . 0 0 "[ . 1 . 2]" 2
217 2 1 JN3 O3 3 1 JN3 O7 3.900 3.700 4.000 3.924 3.708 4.188 0.188 15 0 "[ . 1 . 2]" 2
218 1 76 LYS NZ 3 1 JN3 O26 3.000 2.800 3.100 3.254 3.057 3.418 0.318 1 0 "[ . 1 . 2]" 2
219 1 39 GLU OE2 1 52 LYS NZ 3.000 2.800 3.100 4.981 3.301 5.440 2.340 4 19 [***+***********-***2] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 152
_Distance_constraint_stats_list.Viol_count 1799
_Distance_constraint_stats_list.Viol_total 8972.732
_Distance_constraint_stats_list.Viol_max 2.967
_Distance_constraint_stats_list.Viol_rms 0.2726
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1476
_Distance_constraint_stats_list.Viol_average_violations_only 0.2494
_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 4 GLY 1.742 0.393 16 0 "[ . 1 . 2]"
1 6 TRP 16.773 0.718 19 4 "[ -. 1 .** +2]"
1 7 GLN 5.991 0.560 19 1 "[ . 1 . +2]"
1 8 VAL 28.002 1.226 16 20 [***************+*-**]
1 9 TYR 8.931 0.584 16 1 "[ . 1 .+ 2]"
1 10 ALA 5.568 0.549 16 2 "[ . 1 .+- 2]"
1 12 GLU 2.071 0.177 3 0 "[ . 1 . 2]"
1 13 ASN 6.257 0.461 14 0 "[ . 1 . 2]"
1 14 TYR 3.484 0.331 16 0 "[ . 1 . 2]"
1 15 GLU 1.906 0.256 13 0 "[ . 1 . 2]"
1 16 GLU 8.818 0.444 1 0 "[ . 1 . 2]"
1 17 PHE 15.152 0.506 18 2 "[- . 1 . + 2]"
1 18 LEU 5.867 0.331 16 0 "[ . 1 . 2]"
1 19 LYS 1.906 0.256 13 0 "[ . 1 . 2]"
1 20 ALA 8.818 0.444 1 0 "[ . 1 . 2]"
1 21 LEU 8.896 0.506 18 2 "[- . 1 . + 2]"
1 22 ALA 2.384 0.289 12 0 "[ . 1 . 2]"
1 24 PRO 2.944 0.316 4 0 "[ . 1 . 2]"
1 25 GLU 0.505 0.100 10 0 "[ . 1 . 2]"
1 26 ASP 3.027 0.270 20 0 "[ . 1 . 2]"
1 27 LEU 1.809 0.279 4 0 "[ . 1 . 2]"
1 28 ILE 7.915 0.445 4 0 "[ . 1 . 2]"
1 29 LYS 0.505 0.100 10 0 "[ . 1 . 2]"
1 30 MET 3.027 0.270 20 0 "[ . 1 . 2]"
1 31 ALA 19.860 0.857 10 12 "[** *. * *+* *** -*2]"
1 32 ARG 4.971 0.445 4 0 "[ . 1 . 2]"
1 34 ILE 18.051 0.857 10 12 "[** *. * *+* *** -*2]"
1 36 PRO 28.002 1.226 16 20 [***************+*-**]
1 37 ILE 7.535 0.554 20 1 "[ . 1 . +]"
1 38 VAL 16.773 0.718 19 4 "[ -. 1 .** +2]"
1 39 GLU 1.535 0.335 4 0 "[ . 1 . 2]"
1 40 ILE 1.742 0.393 16 0 "[ . 1 . 2]"
1 41 GLN 21.298 0.837 8 17 "[** ** *+******.**-**]"
1 43 LYS 70.464 1.626 16 20 [***************+-***]
1 46 ASP 70.464 1.626 16 20 [***************+-***]
1 47 PHE 2.454 0.211 14 0 "[ . 1 . 2]"
1 48 VAL 21.298 0.837 8 17 "[** ** *+******.**-**]"
1 49 VAL 1.915 0.127 19 0 "[ . 1 . 2]"
1 50 THR 1.535 0.335 4 0 "[ . 1 . 2]"
1 51 SER 4.255 0.442 1 0 "[ . 1 . 2]"
1 52 LYS 7.535 0.554 20 1 "[ . 1 . +]"
1 53 THR 1.244 0.142 1 0 "[ . 1 . 2]"
1 55 ARG 12.816 2.510 20 3 "[ * . 1 -. +]"
1 56 GLN 1.244 0.142 1 0 "[ . 1 . 2]"
1 58 VAL 4.255 0.442 1 0 "[ . 1 . 2]"
1 60 ASN 1.915 0.127 19 0 "[ . 1 . 2]"
1 62 PHE 2.454 0.211 14 0 "[ . 1 . 2]"
1 63 THR 10.292 0.493 14 0 "[ . 1 . 2]"
1 65 GLY 9.606 0.462 14 0 "[ . 1 . 2]"
1 66 LYS 10.292 0.493 14 0 "[ . 1 . 2]"
1 68 ALA 12.474 0.493 4 0 "[ . 1 . 2]"
1 70 ILE 11.599 0.520 12 1 "[ . 1 + . 2]"
1 72 THR 7.060 0.410 8 0 "[ . 1 . 2]"
1 76 LYS 7.060 0.410 8 0 "[ . 1 . 2]"
1 78 LEU 11.599 0.520 12 1 "[ . 1 + . 2]"
1 80 CYS 12.474 0.493 4 0 "[ . 1 . 2]"
1 82 VAL 9.606 0.462 14 0 "[ . 1 . 2]"
1 83 HIS 14.183 0.618 11 5 "[ ** *1+ . - 2]"
1 85 ALA 15.729 0.562 4 3 "[ +. - . *]"
1 88 LYS 15.729 0.562 4 3 "[ +. - . *]"
1 89 LEU 27.801 1.169 9 20 [********+***-*******]
1 90 VAL 14.183 0.618 11 5 "[ ** *1+ . - 2]"
1 91 THR 3.061 0.335 2 0 "[ . 1 . 2]"
1 93 SER 27.697 1.173 2 20 [*+******-***********]
1 96 PHE 27.697 1.173 2 20 [*+******-***********]
1 97 SER 14.879 0.984 2 7 "[ + -* **** . 2]"
1 98 HIS 3.061 0.335 2 0 "[ . 1 . 2]"
1 99 GLU 3.760 0.247 10 0 "[ . 1 . 2]"
1 100 GLN 27.801 1.169 9 20 [********+***-*******]
1 101 GLU 0.935 0.159 9 0 "[ . 1 . 2]"
1 103 LYS 10.324 0.353 8 0 "[ . 1 . 2]"
1 105 ASN 2.018 0.224 19 0 "[ . 1 . 2]"
1 106 GLU 10.324 0.353 8 0 "[ . 1 . 2]"
1 107 MET 1.348 0.159 19 0 "[ . 1 . 2]"
1 108 VAL 0.935 0.159 9 0 "[ . 1 . 2]"
1 109 GLU 17.059 2.967 18 3 "[ . 1 - . +*2]"
1 110 THR 3.760 0.247 10 0 "[ . 1 . 2]"
1 111 ILE 2.683 0.144 14 0 "[ . 1 . 2]"
1 112 THR 14.879 0.984 2 7 "[ + -* **** . 2]"
1 113 PHE 0.486 0.088 15 0 "[ . 1 . 2]"
1 116 VAL 0.486 0.088 15 0 "[ . 1 . 2]"
1 118 LEU 2.683 0.144 14 0 "[ . 1 . 2]"
1 119 ILE 2.071 0.177 3 0 "[ . 1 . 2]"
1 120 ARG 17.059 2.967 18 3 "[ . 1 - . +*2]"
1 121 ARG 14.499 0.584 16 2 "[ . 1 .+- 2]"
1 122 SER 1.348 0.159 19 0 "[ . 1 . 2]"
1 123 LYS 5.991 0.560 19 1 "[ . 1 . +2]"
1 124 ARG 2.018 0.224 19 0 "[ . 1 . 2]"
2 1 JN3 12.816 2.510 20 3 "[ * . 1 -. +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY H 1 40 ILE O 2.020 . 2.020 1.899 1.835 2.015 . 0 0 "[ . 1 . 2]" 3
2 1 4 GLY N 1 40 ILE O 3.020 2.520 3.020 2.837 2.755 2.938 . 0 0 "[ . 1 . 2]" 3
3 1 4 GLY O 1 40 ILE H 2.100 . 2.100 2.041 1.904 2.493 0.393 16 0 "[ . 1 . 2]" 3
4 1 4 GLY O 1 40 ILE N 3.100 2.600 3.100 2.981 2.875 3.300 0.200 16 0 "[ . 1 . 2]" 3
5 1 6 TRP H 1 38 VAL O 1.900 . 1.900 2.119 1.917 2.618 0.718 19 2 "[ . 1 . - +2]" 3
6 1 6 TRP N 1 38 VAL O 2.900 2.400 2.900 3.032 2.885 3.348 0.448 19 0 "[ . 1 . 2]" 3
7 1 6 TRP O 1 38 VAL H 1.840 . 1.840 2.112 1.974 2.470 0.630 19 3 "[ -. 1 .* +2]" 3
8 1 6 TRP O 1 38 VAL N 2.840 2.340 2.840 3.056 2.923 3.410 0.570 19 1 "[ . 1 . +2]" 3
9 1 8 VAL H 1 36 PRO O 2.400 2.200 2.400 3.145 2.990 3.626 1.226 16 20 [***************+*-**] 3
10 1 8 VAL N 1 36 PRO O 3.400 2.900 3.400 4.055 3.934 4.241 0.841 19 20 [*****************-+*] 3
11 1 7 GLN H 1 123 LYS O 1.980 . 1.980 1.929 1.336 2.150 0.444 19 0 "[ . 1 . 2]" 3
12 1 7 GLN N 1 123 LYS O 2.980 2.480 2.980 2.818 2.200 3.044 0.280 19 0 "[ . 1 . 2]" 3
13 1 7 GLN O 1 123 LYS H 2.250 2.050 2.250 2.107 1.490 2.399 0.560 19 1 "[ . 1 . +2]" 3
14 1 7 GLN O 1 123 LYS N 3.250 2.750 3.250 3.008 2.452 3.270 0.298 19 0 "[ . 1 . 2]" 3
15 1 9 TYR H 1 121 ARG O 1.950 . 1.950 1.993 1.166 2.238 0.584 16 1 "[ . 1 .+ 2]" 3
16 1 9 TYR N 1 121 ARG O 2.950 2.450 2.950 2.943 2.110 3.197 0.340 16 0 "[ . 1 . 2]" 3
17 1 10 ALA O 1 121 ARG H 1.900 . 1.900 2.043 1.840 2.449 0.549 16 2 "[ . 1 .+- 2]" 3
18 1 10 ALA O 1 121 ARG N 2.900 2.400 2.900 3.006 2.789 3.398 0.498 16 0 "[ . 1 . 2]" 3
19 1 10 ALA H 1 121 ARG O 2.800 2.600 2.800 2.660 2.540 2.902 0.102 16 0 "[ . 1 . 2]" 3
20 1 10 ALA N 1 121 ARG O 3.800 3.300 3.800 3.567 3.340 3.648 . 0 0 "[ . 1 . 2]" 3
21 1 12 GLU H 1 119 ILE O 3.040 2.840 3.040 2.840 2.663 3.048 0.177 3 0 "[ . 1 . 2]" 3
22 1 12 GLU N 1 119 ILE O 4.040 3.540 4.040 3.737 3.468 3.964 0.072 3 0 "[ . 1 . 2]" 3
23 1 12 GLU O 1 119 ILE H 3.400 3.200 3.400 3.217 3.043 3.486 0.157 12 0 "[ . 1 . 2]" 3
24 1 12 GLU O 1 119 ILE N 4.400 3.900 4.400 4.181 4.021 4.425 0.025 15 0 "[ . 1 . 2]" 3
25 1 13 ASN O 1 17 PHE H 2.450 2.250 2.450 1.992 1.789 2.272 0.461 14 0 "[ . 1 . 2]" 3
26 1 13 ASN O 1 17 PHE N 3.450 2.950 3.450 2.930 2.732 3.180 0.218 14 0 "[ . 1 . 2]" 3
27 1 14 TYR O 1 18 LEU H 2.080 . 2.080 2.170 1.879 2.411 0.331 16 0 "[ . 1 . 2]" 3
28 1 14 TYR O 1 18 LEU N 3.080 2.580 3.080 3.117 2.837 3.363 0.283 13 0 "[ . 1 . 2]" 3
29 1 15 GLU O 1 19 LYS H 1.960 . 1.960 1.863 1.640 2.216 0.256 13 0 "[ . 1 . 2]" 3
30 1 15 GLU O 1 19 LYS N 2.960 2.460 2.960 2.811 2.584 3.153 0.193 13 0 "[ . 1 . 2]" 3
31 1 16 GLU O 1 20 ALA H 2.040 . 2.040 2.317 2.205 2.484 0.444 1 0 "[ . 1 . 2]" 3
32 1 16 GLU O 1 20 ALA N 3.040 2.540 3.040 3.204 3.075 3.364 0.324 1 0 "[ . 1 . 2]" 3
33 1 17 PHE O 1 21 LEU H 2.180 . 2.180 2.459 2.085 2.686 0.506 18 2 "[- . 1 . + 2]" 3
34 1 17 PHE O 1 21 LEU N 3.180 2.680 3.180 3.309 3.027 3.474 0.294 18 0 "[ . 1 . 2]" 3
35 1 18 LEU O 1 22 ALA H 2.780 2.580 2.780 2.753 2.318 3.069 0.289 12 0 "[ . 1 . 2]" 3
36 1 18 LEU O 1 22 ALA N 3.780 3.280 3.780 3.484 3.130 3.746 0.150 16 0 "[ . 1 . 2]" 3
37 1 24 PRO O 1 28 ILE H 2.070 . 2.070 2.172 1.892 2.386 0.316 4 0 "[ . 1 . 2]" 3
38 1 24 PRO O 1 28 ILE N 3.070 2.570 3.070 3.017 2.866 3.166 0.096 5 0 "[ . 1 . 2]" 3
39 1 25 GLU O 1 29 LYS H 2.070 . 2.070 1.981 1.773 2.170 0.100 10 0 "[ . 1 . 2]" 3
40 1 25 GLU O 1 29 LYS N 3.070 2.570 3.070 2.947 2.732 3.118 0.048 10 0 "[ . 1 . 2]" 3
41 1 26 ASP O 1 30 MET H 3.040 2.840 3.040 2.819 2.633 3.027 0.207 12 0 "[ . 1 . 2]" 3
42 1 26 ASP O 1 30 MET N 3.490 2.990 3.490 3.587 3.398 3.760 0.270 20 0 "[ . 1 . 2]" 3
43 1 27 LEU O 1 31 ALA H 2.190 . 2.190 2.164 1.848 2.469 0.279 4 0 "[ . 1 . 2]" 3
44 1 27 LEU O 1 31 ALA N 3.190 2.690 3.190 2.907 2.588 3.180 0.102 7 0 "[ . 1 . 2]" 3
45 1 28 ILE O 1 32 ARG H 2.080 . 2.080 2.294 1.790 2.525 0.445 4 0 "[ . 1 . 2]" 3
46 1 28 ILE O 1 32 ARG N 3.080 2.580 3.080 2.786 2.569 2.909 0.011 8 0 "[ . 1 . 2]" 3
47 1 31 ALA O 1 34 ILE H 2.200 . 2.200 2.753 2.580 3.057 0.857 10 12 "[** *. * *+* *** -*2]" 3
48 1 31 ALA O 1 34 ILE N 3.200 2.700 3.200 3.549 3.407 3.923 0.723 10 2 "[ . - + . 2]" 3
49 1 37 ILE H 1 52 LYS O 2.320 2.120 2.320 2.387 2.180 2.553 0.233 19 0 "[ . 1 . 2]" 3
50 1 37 ILE N 1 52 LYS O 3.320 2.820 3.320 3.283 3.120 3.409 0.089 7 0 "[ . 1 . 2]" 3
51 1 37 ILE O 1 52 LYS H 2.100 . 2.100 2.272 2.072 2.654 0.554 20 1 "[ . 1 . +]" 3
52 1 37 ILE O 1 52 LYS N 3.100 2.600 3.100 3.203 3.011 3.527 0.427 20 0 "[ . 1 . 2]" 3
53 1 39 GLU H 1 50 THR O 2.440 2.240 2.440 2.232 2.163 2.483 0.077 18 0 "[ . 1 . 2]" 3
54 1 39 GLU N 1 50 THR O 3.440 2.940 3.440 3.200 3.133 3.441 0.001 3 0 "[ . 1 . 2]" 3
55 1 39 GLU O 1 50 THR H 2.170 . 2.170 2.199 2.055 2.505 0.335 4 0 "[ . 1 . 2]" 3
56 1 39 GLU O 1 50 THR N 3.170 2.670 3.170 3.111 2.987 3.285 0.115 4 0 "[ . 1 . 2]" 3
57 1 41 GLN H 1 48 VAL O 2.560 2.360 2.560 2.241 2.096 2.423 0.264 17 0 "[ . 1 . 2]" 3
58 1 41 GLN N 1 48 VAL O 3.560 3.060 3.560 3.118 3.004 3.232 0.056 3 0 "[ . 1 . 2]" 3
59 1 41 GLN O 1 48 VAL H 2.600 2.400 2.600 3.214 2.843 3.437 0.837 8 17 "[** ** *+******.**-**]" 3
60 1 41 GLN O 1 48 VAL N 3.600 3.100 3.600 3.921 3.624 4.145 0.545 19 2 "[ . - 1 . +2]" 3
61 1 43 LYS H 1 46 ASP O 2.100 . 2.100 2.531 2.345 2.731 0.631 16 7 "[** . 1* .+- **]" 3
62 1 43 LYS N 1 46 ASP O 3.100 2.600 3.100 3.386 3.220 3.491 0.391 8 0 "[ . 1 . 2]" 3
63 1 43 LYS O 1 46 ASP H 2.480 2.280 2.480 3.895 3.723 4.106 1.626 16 20 [****-**********+****] 3
64 1 43 LYS O 1 46 ASP N 3.480 2.980 3.480 4.871 4.699 5.085 1.605 16 20 [****-**********+****] 3
65 1 47 PHE H 1 62 PHE O 1.970 . 1.970 2.028 1.910 2.181 0.211 14 0 "[ . 1 . 2]" 3
66 1 47 PHE N 1 62 PHE O 2.970 2.470 2.970 2.968 2.845 3.160 0.190 14 0 "[ . 1 . 2]" 3
67 1 47 PHE O 1 62 PHE H 2.330 2.130 2.330 2.187 2.046 2.479 0.149 14 0 "[ . 1 . 2]" 3
68 1 47 PHE O 1 62 PHE N 3.330 2.830 3.330 3.124 2.986 3.414 0.084 14 0 "[ . 1 . 2]" 3
69 1 49 VAL H 1 60 ASN O 2.450 2.250 2.450 2.407 2.261 2.547 0.097 6 0 "[ . 1 . 2]" 3
70 1 49 VAL N 1 60 ASN O 3.450 2.950 3.450 3.064 2.983 3.121 . 0 0 "[ . 1 . 2]" 3
71 1 49 VAL O 1 60 ASN H 1.860 . 1.860 1.925 1.779 1.987 0.127 19 0 "[ . 1 . 2]" 3
72 1 49 VAL O 1 60 ASN N 2.860 2.360 2.860 2.830 2.735 2.913 0.053 19 0 "[ . 1 . 2]" 3
73 1 51 SER H 1 58 VAL O 2.420 2.220 2.420 2.296 2.126 2.398 0.094 14 0 "[ . 1 . 2]" 3
74 1 51 SER N 1 58 VAL O 3.420 2.920 3.420 2.908 2.860 2.971 0.060 2 0 "[ . 1 . 2]" 3
75 1 51 SER O 1 58 VAL H 1.830 . 1.830 1.985 1.802 2.272 0.442 1 0 "[ . 1 . 2]" 3
76 1 51 SER O 1 58 VAL N 2.830 2.330 2.830 2.845 2.763 2.948 0.118 1 0 "[ . 1 . 2]" 3
77 1 53 THR H 1 56 GLN O 1.770 . 1.770 1.792 1.690 1.912 0.142 1 0 "[ . 1 . 2]" 3
78 1 53 THR N 1 56 GLN O 2.770 2.270 2.770 2.608 2.570 2.672 . 0 0 "[ . 1 . 2]" 3
79 1 53 THR O 1 56 GLN H 3.030 2.830 3.030 2.875 2.759 3.022 0.071 11 0 "[ . 1 . 2]" 3
80 1 53 THR O 1 56 GLN N 4.030 3.530 4.030 3.542 3.476 3.639 0.054 7 0 "[ . 1 . 2]" 3
81 1 63 THR O 1 66 LYS H 2.260 2.060 2.260 2.580 2.416 2.753 0.493 14 0 "[ . 1 . 2]" 3
82 1 63 THR O 1 66 LYS N 3.260 2.760 3.260 3.452 3.211 3.618 0.358 14 0 "[ . 1 . 2]" 3
83 1 65 GLY H 1 82 VAL O 2.260 2.060 2.260 2.566 2.348 2.722 0.462 14 0 "[ . 1 . 2]" 3
84 1 65 GLY N 1 82 VAL O 3.260 2.760 3.260 3.434 3.284 3.542 0.282 2 0 "[ . 1 . 2]" 3
85 1 68 ALA H 1 80 CYS O 2.220 2.020 2.220 2.508 2.202 2.713 0.493 4 0 "[ . 1 . 2]" 3
86 1 68 ALA N 1 80 CYS O 3.220 2.720 3.220 3.467 3.180 3.665 0.445 4 0 "[ . 1 . 2]" 3
87 1 68 ALA O 1 80 CYS H 2.490 2.290 2.490 2.280 2.028 2.552 0.262 11 0 "[ . 1 . 2]" 3
88 1 68 ALA O 1 80 CYS N 3.490 2.990 3.490 3.190 2.986 3.401 0.004 11 0 "[ . 1 . 2]" 3
89 1 70 ILE H 1 78 LEU O 1.670 . 1.670 1.947 1.779 2.190 0.520 12 1 "[ . 1 + . 2]" 3
90 1 70 ILE N 1 78 LEU O 2.670 2.170 2.670 2.879 2.728 3.081 0.411 12 0 "[ . 1 . 2]" 3
91 1 70 ILE O 1 78 LEU H 2.200 . 2.200 2.244 2.023 2.377 0.177 12 0 "[ . 1 . 2]" 3
92 1 70 ILE O 1 78 LEU N 3.200 2.700 3.200 3.188 2.962 3.339 0.139 12 0 "[ . 1 . 2]" 3
93 1 72 THR H 1 76 LYS O 2.020 . 2.020 1.886 1.664 2.026 0.156 4 0 "[ . 1 . 2]" 3
94 1 72 THR N 1 76 LYS O 3.020 2.520 3.020 2.842 2.639 2.954 . 0 0 "[ . 1 . 2]" 3
95 1 72 THR O 1 76 LYS H 3.560 3.360 3.560 3.129 2.950 3.296 0.410 8 0 "[ . 1 . 2]" 3
96 1 72 THR O 1 76 LYS N 4.560 4.060 4.560 3.964 3.795 4.114 0.265 4 0 "[ . 1 . 2]" 3
97 1 83 HIS H 1 90 VAL O 2.290 2.090 2.290 2.666 2.494 2.908 0.618 11 5 "[ ** *1+ . - 2]" 3
98 1 83 HIS N 1 90 VAL O 3.290 2.790 3.290 3.507 3.243 3.786 0.496 5 0 "[ . 1 . 2]" 3
99 1 83 HIS O 1 90 VAL H 2.070 . 2.070 2.133 1.925 2.350 0.280 20 0 "[ . 1 . 2]" 3
100 1 83 HIS O 1 90 VAL N 3.070 2.570 3.070 3.002 2.746 3.225 0.155 18 0 "[ . 1 . 2]" 3
101 1 85 ALA H 1 88 LYS O 1.820 . 1.820 2.106 1.909 2.312 0.492 6 0 "[ . 1 . 2]" 3
102 1 85 ALA N 1 88 LYS O 2.820 2.320 2.820 3.052 2.868 3.201 0.381 6 0 "[ . 1 . 2]" 3
103 1 85 ALA O 1 88 LYS H 2.280 2.080 2.280 2.462 1.890 2.842 0.562 4 3 "[ +. - . *]" 3
104 1 85 ALA O 1 88 LYS N 3.280 2.780 3.280 2.984 2.578 3.281 0.202 19 0 "[ . 1 . 2]" 3
105 1 89 LEU H 1 100 GLN O 2.080 . 2.080 3.013 2.695 3.249 1.169 9 20 [********+*****-*****] 3
106 1 89 LEU N 1 100 GLN O 3.080 2.580 3.080 3.537 3.294 3.682 0.602 2 8 "[ +**.* **1* - . 2]" 3
107 1 91 THR H 1 98 HIS O 2.160 . 2.160 1.978 1.760 2.281 0.200 13 0 "[ . 1 . 2]" 3
108 1 91 THR N 1 98 HIS O 3.160 2.660 3.160 2.781 2.646 3.010 0.014 13 0 "[ . 1 . 2]" 3
109 1 91 THR O 1 98 HIS H 2.450 2.250 2.450 2.359 2.017 2.785 0.335 2 0 "[ . 1 . 2]" 3
110 1 91 THR O 1 98 HIS N 3.450 2.950 3.450 2.973 2.711 3.176 0.239 5 0 "[ . 1 . 2]" 3
111 1 93 SER H 1 96 PHE O 1.800 . 1.800 2.629 2.417 2.973 1.173 2 20 [*+******-***********] 3
112 1 93 SER N 1 96 PHE O 2.800 2.300 2.800 3.095 2.999 3.283 0.483 2 0 "[ . 1 . 2]" 3
113 1 93 SER O 1 96 PHE H 3.390 3.190 3.390 3.523 3.240 3.754 0.364 4 0 "[ . 1 . 2]" 3
114 1 93 SER O 1 96 PHE N 4.390 3.890 4.390 4.480 4.173 4.725 0.335 4 0 "[ . 1 . 2]" 3
115 1 97 SER H 1 112 THR O 2.310 2.110 2.310 2.169 2.081 2.311 0.029 10 0 "[ . 1 . 2]" 3
116 1 97 SER N 1 112 THR O 3.310 2.810 3.310 3.136 3.048 3.282 . 0 0 "[ . 1 . 2]" 3
117 1 97 SER O 1 112 THR H 2.120 . 2.120 2.602 2.404 3.104 0.984 2 7 "[ + -* **** . 2]" 3
118 1 97 SER O 1 112 THR N 3.120 2.620 3.120 3.379 3.235 3.825 0.705 2 1 "[ + . 1 . 2]" 3
119 1 99 GLU H 1 110 THR O 2.230 2.030 2.230 2.054 1.874 2.218 0.156 12 0 "[ . 1 . 2]" 3
120 1 99 GLU N 1 110 THR O 3.230 2.730 3.230 2.734 2.575 2.848 0.155 12 0 "[ . 1 . 2]" 3
121 1 99 GLU O 1 110 THR H 1.830 . 1.830 1.506 1.383 1.664 0.247 10 0 "[ . 1 . 2]" 3
122 1 99 GLU O 1 110 THR N 2.830 2.330 2.830 2.426 2.269 2.613 0.061 12 0 "[ . 1 . 2]" 3
123 1 101 GLU H 1 108 VAL O 2.050 . 2.050 1.963 1.823 2.107 0.057 16 0 "[ . 1 . 2]" 3
124 1 101 GLU N 1 108 VAL O 3.050 2.550 3.050 2.834 2.733 2.923 . 0 0 "[ . 1 . 2]" 3
125 1 101 GLU O 1 108 VAL H 2.060 . 2.060 1.854 1.701 2.003 0.159 9 0 "[ . 1 . 2]" 3
126 1 101 GLU O 1 108 VAL N 3.060 2.560 3.060 2.825 2.672 2.981 . 0 0 "[ . 1 . 2]" 3
127 1 103 LYS H 1 106 GLU O 1.910 . 1.910 1.983 1.823 2.112 0.202 17 0 "[ . 1 . 2]" 3
128 1 103 LYS N 1 106 GLU O 2.910 2.410 2.910 2.937 2.788 3.049 0.139 14 0 "[ . 1 . 2]" 3
129 1 103 LYS O 1 106 GLU H 2.300 2.100 2.300 2.514 2.329 2.653 0.353 8 0 "[ . 1 . 2]" 3
130 1 103 LYS O 1 106 GLU N 3.300 2.800 3.300 3.470 3.277 3.618 0.318 8 0 "[ . 1 . 2]" 3
131 1 105 ASN O 1 124 ARG H 2.160 . 2.160 2.227 1.999 2.384 0.224 19 0 "[ . 1 . 2]" 3
132 1 105 ASN O 1 124 ARG N 3.160 2.660 3.160 3.151 2.918 3.305 0.145 19 0 "[ . 1 . 2]" 3
133 1 107 MET H 1 122 SER O 1.860 . 1.860 1.659 1.565 1.851 0.095 10 0 "[ . 1 . 2]" 3
134 1 107 MET N 1 122 SER O 2.860 2.360 2.860 2.543 2.468 2.702 . 0 0 "[ . 1 . 2]" 3
135 1 107 MET O 1 122 SER H 1.870 . 1.870 1.660 1.511 1.826 0.159 19 0 "[ . 1 . 2]" 3
136 1 107 MET O 1 122 SER N 2.870 2.370 2.870 2.612 2.435 2.759 . 0 0 "[ . 1 . 2]" 3
137 1 109 GLU H 1 120 ARG O 1.820 . 1.820 1.705 1.441 1.817 0.179 19 0 "[ . 1 . 2]" 3
138 1 109 GLU N 1 120 ARG O 2.820 2.320 2.820 2.654 2.408 2.765 . 0 0 "[ . 1 . 2]" 3
139 1 109 GLU O 1 120 ARG H 1.950 . 1.950 1.899 1.733 2.091 0.141 9 0 "[ . 1 . 2]" 3
140 1 109 GLU O 1 120 ARG N 2.950 2.450 2.950 2.814 2.654 2.936 . 0 0 "[ . 1 . 2]" 3
141 1 111 ILE H 1 118 LEU O 2.100 . 2.100 2.136 1.965 2.244 0.144 14 0 "[ . 1 . 2]" 3
142 1 111 ILE N 1 118 LEU O 3.100 2.600 3.100 3.060 2.915 3.152 0.052 9 0 "[ . 1 . 2]" 3
143 1 111 ILE O 1 118 LEU H 1.730 . 1.730 1.761 1.631 1.839 0.109 14 0 "[ . 1 . 2]" 3
144 1 111 ILE O 1 118 LEU N 2.730 2.230 2.730 2.718 2.581 2.796 0.066 14 0 "[ . 1 . 2]" 3
145 1 113 PHE H 1 116 VAL O 1.910 . 1.910 1.707 1.628 1.755 0.082 3 0 "[ . 1 . 2]" 3
146 1 113 PHE N 1 116 VAL O 2.910 2.410 2.910 2.648 2.572 2.698 . 0 0 "[ . 1 . 2]" 3
147 1 113 PHE O 1 116 VAL H 2.280 2.080 2.280 2.214 2.012 2.368 0.088 15 0 "[ . 1 . 2]" 3
148 1 113 PHE O 1 116 VAL N 3.280 2.780 3.280 3.086 2.887 3.263 . 0 0 "[ . 1 . 2]" 3
149 1 109 GLU OE1 1 120 ARG QH2 2.300 . 2.300 2.668 2.059 5.034 2.734 18 3 "[ . 1 - . +*2]" 3
150 1 109 GLU OE2 1 120 ARG QH2 2.300 . 2.300 2.662 2.067 5.267 2.967 18 3 "[ . 1 - . +*2]" 3
151 1 55 ARG QH1 2 1 JN3 O25 2.300 . 2.300 2.698 2.220 4.810 2.510 20 3 "[ * . 1 -. +]" 3
152 1 55 ARG QH1 2 1 JN3 O26 2.300 . 2.300 2.515 2.094 3.692 1.392 20 3 "[ * . 1 -. +]" 3
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