NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606262 |
5jzr   |
30094 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jzr
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 1262
_Distance_constraint_stats_list.Viol_count 1469
_Distance_constraint_stats_list.Viol_total 3329.375
_Distance_constraint_stats_list.Viol_max 1.246
_Distance_constraint_stats_list.Viol_rms 0.0464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.1133
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 0.088 0.088 2 0 "[ . 1 . 2]"
1 4 LYS 0.135 0.088 2 0 "[ . 1 . 2]"
1 5 PRO 0.200 0.051 6 0 "[ . 1 . 2]"
1 6 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.432 0.100 1 0 "[ . 1 . 2]"
1 16 ILE 2.118 0.490 5 0 "[ . 1 . 2]"
1 17 VAL 4.987 0.531 13 1 "[ . 1 + . 2]"
1 18 TRP 1.661 0.372 8 0 "[ . 1 . 2]"
1 19 SER 0.505 0.151 17 0 "[ . 1 . 2]"
1 20 ASP 1.465 0.998 15 1 "[ . 1 + 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.263 0.263 17 0 "[ . 1 . 2]"
1 24 LEU 5.739 0.998 15 6 "[* . * * + -*2]"
1 25 SER 0.372 0.372 2 0 "[ . 1 . 2]"
1 26 THR 4.938 0.905 10 5 "[* . + * . -*2]"
1 27 THR 1.946 0.481 1 0 "[ . 1 . 2]"
1 28 PHE 6.376 0.531 13 3 "[ . - 1 + . *2]"
1 29 SER 1.344 0.490 5 0 "[ . 1 . 2]"
1 30 ALA 0.932 0.370 19 0 "[ . 1 . 2]"
1 31 SER 0.975 0.562 19 1 "[ . 1 . +2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.121 0.085 12 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.099 0.065 19 0 "[ . 1 . 2]"
1 42 ALA 0.099 0.065 19 0 "[ . 1 . 2]"
1 44 LEU 0.050 0.036 19 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASN 0.040 0.031 6 0 "[ . 1 . 2]"
1 47 VAL 1.081 0.579 15 1 "[ . 1 + 2]"
1 48 SER 0.704 0.198 19 0 "[ . 1 . 2]"
1 49 GLY 0.351 0.085 12 0 "[ . 1 . 2]"
1 50 GLN 2.977 0.562 19 1 "[ . 1 . +2]"
1 51 TYR 1.067 0.456 19 0 "[ . 1 . 2]"
1 52 VAL 1.864 0.515 19 2 "[ . - 1 . +2]"
1 53 SER 1.213 0.434 6 0 "[ . 1 . 2]"
1 54 VAL 3.603 0.516 16 1 "[ . 1 .+ 2]"
1 55 TYR 0.530 0.244 1 0 "[ . 1 . 2]"
1 58 PRO 0.200 0.054 10 0 "[ . 1 . 2]"
1 59 ALA 1.968 0.156 18 0 "[ . 1 . 2]"
1 65 CYS 0.161 0.054 8 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASP 0.174 0.054 8 0 "[ . 1 . 2]"
1 68 ALA 0.013 0.013 17 0 "[ . 1 . 2]"
1 69 CYS 0.191 0.174 10 0 "[ . 1 . 2]"
1 70 VAL 0.431 0.174 10 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 1.602 0.245 3 0 "[ . 1 . 2]"
1 73 PRO 2.330 0.245 3 0 "[ . 1 . 2]"
1 74 ASN 6.116 0.429 9 0 "[ . 1 . 2]"
1 75 GLU 7.801 0.491 14 0 "[ . 1 . 2]"
1 76 ASN 1.797 0.491 14 0 "[ . 1 . 2]"
1 77 GLN 0.002 0.002 15 0 "[ . 1 . 2]"
1 78 SER 1.790 0.538 19 2 "[ . 1 .- +2]"
1 79 ILE 2.331 0.538 19 1 "[ . 1 . +2]"
1 80 ARG 0.522 0.456 19 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ILE 2.114 0.201 17 0 "[ . 1 . 2]"
1 84 SER 1.419 0.409 19 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 1.042 0.579 15 1 "[ . 1 + 2]"
1 87 ALA 0.050 0.036 19 0 "[ . 1 . 2]"
1 88 GLU 2.208 0.755 16 2 "[ . 1- .+ 2]"
1 89 ASN 2.726 0.755 16 2 "[ . 1- .+ 2]"
1 90 LEU 0.300 0.107 11 0 "[ . 1 . 2]"
1 91 ALA 0.818 0.121 12 0 "[ . 1 . 2]"
1 92 THR 0.575 0.431 4 0 "[ . 1 . 2]"
1 93 LEU 4.779 0.653 1 1 "[+ . 1 . 2]"
1 94 LYS 0.506 0.137 13 0 "[ . 1 . 2]"
1 95 ALA 3.205 0.431 4 0 "[ . 1 . 2]"
1 96 GLU 4.280 0.653 1 1 "[+ . 1 . 2]"
1 97 TRP 3.762 0.253 1 0 "[ . 1 . 2]"
1 98 GLU 1.487 0.147 1 0 "[ . 1 . 2]"
1 99 THR 0.457 0.142 19 0 "[ . 1 . 2]"
1 100 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.625 0.162 16 0 "[ . 1 . 2]"
1 102 ARG 7.962 0.976 19 7 "[ * ** - ** . +2]"
1 103 ASN 7.473 0.550 6 2 "[ .+ - 1 . 2]"
1 104 VAL 0.120 0.064 11 0 "[ . 1 . 2]"
1 105 ASP 1.706 0.178 15 0 "[ . 1 . 2]"
1 106 THR 1.378 0.155 4 0 "[ . 1 . 2]"
1 107 LEU 1.388 0.769 19 2 "[ - 1 . +2]"
1 108 PHE 4.606 0.769 19 2 "[ - 1 . +2]"
1 109 ALA 0.570 0.076 10 0 "[ . 1 . 2]"
1 110 SER 2.700 0.374 14 0 "[ . 1 . 2]"
1 111 GLY 0.056 0.035 19 0 "[ . 1 . 2]"
1 112 ASN 0.510 0.134 13 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLY 0.811 0.183 5 0 "[ . 1 . 2]"
1 115 LEU 10.963 0.518 1 2 "[+ . - 1 . 2]"
1 116 GLY 8.398 0.518 1 2 "[+ . - 1 . 2]"
1 117 PHE 1.243 0.322 13 0 "[ . 1 . 2]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASP 0.616 0.261 20 0 "[ . 1 . 2]"
1 120 PRO 0.189 0.114 13 0 "[ . 1 . 2]"
1 121 THR 0.225 0.223 13 0 "[ . 1 . 2]"
1 122 ALA 0.792 0.261 20 0 "[ . 1 . 2]"
1 123 ALA 1.104 0.155 4 0 "[ . 1 . 2]"
1 124 ILE 2.913 0.376 6 0 "[ . 1 . 2]"
1 125 VAL 7.181 1.089 1 2 "[+ . 1 . -]"
1 126 SER 3.674 1.089 1 2 "[+ . 1 . -]"
1 127 SER 0.169 0.074 8 0 "[ . 1 . 2]"
2 3 ASN 0.113 0.091 5 0 "[ . 1 . 2]"
2 4 LYS 0.159 0.091 5 0 "[ . 1 . 2]"
2 5 PRO 0.252 0.090 6 0 "[ . 1 . 2]"
2 6 MET 0.005 0.005 10 0 "[ . 1 . 2]"
2 7 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 PRO 1.208 0.252 14 0 "[ . 1 . 2]"
2 16 ILE 0.387 0.092 20 0 "[ . 1 . 2]"
2 17 VAL 2.996 0.542 3 2 "[ + . 1 . - 2]"
2 18 TRP 1.421 0.252 14 0 "[ . 1 . 2]"
2 19 SER 1.412 0.456 1 0 "[ . 1 . 2]"
2 20 ASP 3.250 0.654 1 1 "[+ . 1 . 2]"
2 21 PRO 1.389 0.654 1 1 "[+ . 1 . 2]"
2 22 THR 0.256 0.256 14 0 "[ . 1 . 2]"
2 23 ARG 0.658 0.402 14 0 "[ . 1 . 2]"
2 24 LEU 3.102 0.967 1 3 "[+ - 1 . *2]"
2 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 THR 2.705 0.967 1 3 "[+ - 1 . *2]"
2 27 THR 3.014 0.502 17 1 "[ . 1 . + 2]"
2 28 PHE 6.025 1.246 15 5 "[ - . * 1 * *+ 2]"
2 29 SER 0.176 0.135 20 0 "[ . 1 . 2]"
2 30 ALA 0.590 0.245 12 0 "[ . 1 . 2]"
2 31 SER 0.981 0.385 12 0 "[ . 1 . 2]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LEU 0.234 0.146 12 0 "[ . 1 . 2]"
2 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ILE 0.479 0.146 10 0 "[ . 1 . 2]"
2 42 ALA 0.479 0.146 10 0 "[ . 1 . 2]"
2 44 LEU 0.073 0.031 17 0 "[ . 1 . 2]"
2 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 ASN 0.034 0.029 6 0 "[ . 1 . 2]"
2 47 VAL 1.958 0.780 2 2 "[ + -. 1 . 2]"
2 48 SER 0.676 0.130 12 0 "[ . 1 . 2]"
2 49 GLY 0.510 0.146 12 0 "[ . 1 . 2]"
2 50 GLN 3.333 0.473 12 0 "[ . 1 . 2]"
2 51 TYR 1.411 0.465 12 0 "[ . 1 . 2]"
2 52 VAL 6.511 1.246 15 4 "[ . - 1 * *+ 2]"
2 53 SER 1.779 0.391 15 0 "[ . 1 . 2]"
2 54 VAL 3.159 0.402 11 0 "[ . 1 . 2]"
2 55 TYR 0.583 0.393 11 0 "[ . 1 . 2]"
2 58 PRO 0.425 0.091 10 0 "[ . 1 . 2]"
2 59 ALA 2.485 0.203 18 0 "[ . 1 . 2]"
2 65 CYS 0.226 0.106 7 0 "[ . 1 . 2]"
2 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 ASP 0.245 0.106 7 0 "[ . 1 . 2]"
2 68 ALA 0.019 0.019 17 0 "[ . 1 . 2]"
2 69 CYS 0.139 0.063 2 0 "[ . 1 . 2]"
2 70 VAL 0.269 0.081 10 0 "[ . 1 . 2]"
2 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 MET 2.127 0.328 10 0 "[ . 1 . 2]"
2 73 PRO 2.843 0.328 10 0 "[ . 1 . 2]"
2 74 ASN 5.839 0.427 4 0 "[ . 1 . 2]"
2 75 GLU 7.867 0.436 14 0 "[ . 1 . 2]"
2 76 ASN 1.786 0.436 14 0 "[ . 1 . 2]"
2 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 SER 1.166 0.557 19 1 "[ . 1 . +2]"
2 79 ILE 2.608 0.557 19 1 "[ . 1 . +2]"
2 80 ARG 0.633 0.465 12 0 "[ . 1 . 2]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 VAL 0.473 0.473 12 0 "[ . 1 . 2]"
2 83 ILE 2.347 0.164 17 0 "[ . 1 . 2]"
2 84 SER 1.020 0.166 19 0 "[ . 1 . 2]"
2 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 SER 2.041 0.780 2 2 "[ + -. 1 . 2]"
2 87 ALA 0.055 0.031 17 0 "[ . 1 . 2]"
2 88 GLU 2.095 0.711 11 2 "[ . 1+ .- 2]"
2 89 ASN 2.510 0.711 11 2 "[ . 1+ .- 2]"
2 90 LEU 0.107 0.107 11 0 "[ . 1 . 2]"
2 91 ALA 0.639 0.107 11 0 "[ . 1 . 2]"
2 92 THR 0.161 0.089 4 0 "[ . 1 . 2]"
2 93 LEU 4.386 0.200 10 0 "[ . 1 . 2]"
2 94 LYS 0.483 0.172 18 0 "[ . 1 . 2]"
2 95 ALA 2.579 0.347 14 0 "[ . 1 . 2]"
2 96 GLU 4.213 0.347 14 0 "[ . 1 . 2]"
2 97 TRP 3.972 0.256 1 0 "[ . 1 . 2]"
2 98 GLU 1.089 0.153 1 0 "[ . 1 . 2]"
2 99 THR 0.264 0.129 19 0 "[ . 1 . 2]"
2 100 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 101 LYS 0.391 0.197 1 0 "[ . 1 . 2]"
2 102 ARG 0.927 0.380 1 0 "[ . 1 . 2]"
2 103 ASN 6.008 0.479 5 0 "[ . 1 . 2]"
2 104 VAL 0.614 0.479 5 0 "[ . 1 . 2]"
2 105 ASP 1.809 0.221 6 0 "[ . 1 . 2]"
2 106 THR 2.402 0.240 6 0 "[ . 1 . 2]"
2 107 LEU 2.995 0.758 19 2 "[ - 1 . +2]"
2 108 PHE 5.792 0.758 19 2 "[ - 1 . +2]"
2 109 ALA 0.584 0.081 20 0 "[ . 1 . 2]"
2 110 SER 2.324 0.363 14 0 "[ . 1 . 2]"
2 111 GLY 0.038 0.018 15 0 "[ . 1 . 2]"
2 112 ASN 0.377 0.108 13 0 "[ . 1 . 2]"
2 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 114 GLY 0.474 0.210 20 0 "[ . 1 . 2]"
2 115 LEU 2.164 0.210 20 0 "[ . 1 . 2]"
2 116 GLY 0.119 0.038 16 0 "[ . 1 . 2]"
2 117 PHE 1.194 0.161 20 0 "[ . 1 . 2]"
2 118 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 119 ASP 0.643 0.478 20 0 "[ . 1 . 2]"
2 120 PRO 0.393 0.289 20 0 "[ . 1 . 2]"
2 121 THR 0.528 0.478 20 0 "[ . 1 . 2]"
2 122 ALA 1.200 0.289 20 0 "[ . 1 . 2]"
2 123 ALA 1.309 0.204 6 0 "[ . 1 . 2]"
2 124 ILE 2.433 0.270 6 0 "[ . 1 . 2]"
2 125 VAL 5.071 1.093 17 1 "[ . 1 . + 2]"
2 126 SER 2.078 1.093 17 1 "[ . 1 . + 2]"
2 127 SER 0.120 0.067 12 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 3 ASN HA 1 4 LYS HA . . 5.260 4.483 4.297 5.348 0.088 2 0 "[ . 1 . 2]" 1
2 1 3 ASN HA 1 4 LYS QB . . 4.630 4.208 3.713 4.498 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS H 1 4 LYS QB . . 3.870 2.681 2.083 3.406 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS H 1 5 PRO HA . . 5.500 4.635 4.137 5.547 0.047 14 0 "[ . 1 . 2]" 1
5 1 4 LYS HA 1 5 PRO QG . . 5.500 3.943 3.767 4.082 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HA 1 6 MET HA . . 5.240 4.379 4.328 4.429 . 0 0 "[ . 1 . 2]" 1
7 1 5 PRO HA 2 125 VAL HA . . 4.590 2.040 1.952 2.652 . 0 0 "[ . 1 . 2]" 1
8 1 5 PRO HA 2 125 VAL HB . . 5.500 3.450 2.963 4.091 . 0 0 "[ . 1 . 2]" 1
9 1 5 PRO HA 2 125 VAL QG . . 4.860 2.282 1.898 3.183 . 0 0 "[ . 1 . 2]" 1
10 1 5 PRO HA 2 126 SER H . . 4.960 3.641 3.029 4.323 . 0 0 "[ . 1 . 2]" 1
11 1 5 PRO HB2 1 6 MET H . . 3.920 3.139 2.587 3.523 . 0 0 "[ . 1 . 2]" 1
12 1 5 PRO HB2 1 6 MET HA . . 5.030 4.542 4.242 4.778 . 0 0 "[ . 1 . 2]" 1
13 1 5 PRO HB3 1 6 MET H . . 4.170 3.753 3.442 3.994 . 0 0 "[ . 1 . 2]" 1
14 1 5 PRO HB3 2 125 VAL HB . . 4.900 4.616 3.484 4.951 0.051 6 0 "[ . 1 . 2]" 1
15 1 5 PRO HB3 2 125 VAL QG . . 5.500 2.575 2.187 3.681 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO QD 2 125 VAL HB . . 5.500 4.289 3.694 4.918 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO QG 1 6 MET H . . 5.050 4.473 4.150 4.656 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO QG 1 6 MET HA . . 5.500 4.974 4.731 5.198 . 0 0 "[ . 1 . 2]" 1
19 1 6 MET H 2 125 VAL HA . . 5.080 2.988 2.485 3.409 . 0 0 "[ . 1 . 2]" 1
20 1 6 MET H 2 126 SER H . . 5.500 4.777 4.197 5.477 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLN H 1 19 SER H . . 4.390 3.282 2.758 4.114 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLN H 1 20 ASP HA . . 5.500 3.351 1.905 3.993 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLN HA 1 8 PRO HB3 . . 5.330 4.972 4.829 5.207 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLN HA 1 8 PRO QG . . 4.930 3.900 3.790 4.065 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HA 1 18 TRP HA . . 4.610 2.479 1.962 4.705 0.095 16 0 "[ . 1 . 2]" 1
26 1 8 PRO HA 1 19 SER H . . 5.210 3.389 2.741 4.115 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO QG 1 18 TRP QB . . 5.150 4.922 4.195 5.250 0.100 1 0 "[ . 1 . 2]" 1
28 1 16 ILE H 1 16 ILE HB . . 4.070 3.126 2.535 3.886 . 0 0 "[ . 1 . 2]" 1
29 1 16 ILE H 1 17 VAL HA . . 5.400 5.048 4.596 5.523 0.123 17 0 "[ . 1 . 2]" 1
30 1 16 ILE HA 1 17 VAL HA . . 5.030 4.407 4.371 4.507 . 0 0 "[ . 1 . 2]" 1
31 1 16 ILE HA 1 17 VAL QG . . 5.190 3.373 3.083 3.736 . 0 0 "[ . 1 . 2]" 1
32 1 16 ILE HB 1 17 VAL H . . 4.050 3.643 2.554 4.279 0.229 20 0 "[ . 1 . 2]" 1
33 1 16 ILE HB 1 29 SER HA . . 5.500 5.445 5.054 5.990 0.490 5 0 "[ . 1 . 2]" 1
34 1 16 ILE HB 1 30 ALA H . . 5.500 5.000 4.177 5.598 0.098 20 0 "[ . 1 . 2]" 1
35 1 17 VAL H 1 17 VAL QG . . 4.210 2.023 1.902 2.260 . 0 0 "[ . 1 . 2]" 1
36 1 17 VAL H 1 29 SER HA . . 4.770 4.440 4.150 4.768 . 0 0 "[ . 1 . 2]" 1
37 1 17 VAL HA 1 28 PHE H . . 4.110 3.926 3.559 4.384 0.274 15 0 "[ . 1 . 2]" 1
38 1 17 VAL HA 1 29 SER H . . 5.090 4.077 3.739 4.300 . 0 0 "[ . 1 . 2]" 1
39 1 17 VAL HA 1 29 SER HA . . 4.680 2.052 1.853 2.345 . 0 0 "[ . 1 . 2]" 1
40 1 17 VAL HA 1 30 ALA H . . 4.240 3.701 2.972 4.395 0.155 11 0 "[ . 1 . 2]" 1
41 1 17 VAL HB 1 27 THR HB . . 5.010 4.448 2.961 5.188 0.178 11 0 "[ . 1 . 2]" 1
42 1 17 VAL HB 1 28 PHE H . . 5.200 4.141 2.844 5.067 . 0 0 "[ . 1 . 2]" 1
43 1 17 VAL HB 1 28 PHE HA . . 5.390 5.073 3.228 5.921 0.531 13 1 "[ . 1 + . 2]" 1
44 1 17 VAL HB 1 29 SER HA . . 5.070 3.743 2.422 5.143 0.073 20 0 "[ . 1 . 2]" 1
45 1 17 VAL QG 1 18 TRP H . . 5.500 2.807 2.135 3.483 . 0 0 "[ . 1 . 2]" 1
46 1 17 VAL QG 1 18 TRP HA . . 5.420 3.716 3.333 4.325 . 0 0 "[ . 1 . 2]" 1
47 1 17 VAL QG 1 19 SER H . . 4.980 4.776 4.222 5.131 0.151 17 0 "[ . 1 . 2]" 1
48 1 17 VAL QG 1 27 THR HB . . 5.500 2.845 1.891 4.898 . 0 0 "[ . 1 . 2]" 1
49 1 17 VAL QG 1 28 PHE H . . 4.450 2.600 1.863 4.032 . 0 0 "[ . 1 . 2]" 1
50 1 17 VAL QG 1 29 SER H . . 5.390 3.122 2.702 3.773 . 0 0 "[ . 1 . 2]" 1
51 1 17 VAL QG 1 29 SER HA . . 4.980 2.971 2.311 3.596 . 0 0 "[ . 1 . 2]" 1
52 1 18 TRP H 1 28 PHE H . . 4.730 2.846 2.131 3.779 . 0 0 "[ . 1 . 2]" 1
53 1 18 TRP H 1 29 SER HA . . 5.300 3.379 2.414 3.684 . 0 0 "[ . 1 . 2]" 1
54 1 18 TRP QB 1 28 PHE H . . 4.650 4.254 3.448 5.022 0.372 8 0 "[ . 1 . 2]" 1
55 1 19 SER HA 1 20 ASP QB . . 4.950 4.316 3.910 4.969 0.019 16 0 "[ . 1 . 2]" 1
56 1 19 SER HA 1 27 THR MG . . 5.500 4.132 3.163 5.606 0.106 8 0 "[ . 1 . 2]" 1
57 1 19 SER QB 1 20 ASP HA . . 5.500 4.379 3.779 4.826 . 0 0 "[ . 1 . 2]" 1
58 1 19 SER QB 1 27 THR HA . . 5.500 2.481 1.977 3.344 . 0 0 "[ . 1 . 2]" 1
59 1 20 ASP H 1 24 LEU H . . 4.700 4.430 3.957 4.880 0.180 17 0 "[ . 1 . 2]" 1
60 1 20 ASP HA 1 23 ARG QB . . 4.950 4.182 3.911 5.213 0.263 17 0 "[ . 1 . 2]" 1
61 1 20 ASP HA 1 24 LEU H . . 5.500 4.946 4.629 6.498 0.998 15 1 "[ . 1 + 2]" 1
62 1 20 ASP QB 1 21 PRO HB2 . . 5.500 5.161 4.951 5.275 . 0 0 "[ . 1 . 2]" 1
63 1 20 ASP QB 1 23 ARG QB . . 4.700 1.981 1.704 3.085 . 0 0 "[ . 1 . 2]" 1
64 1 20 ASP QB 1 23 ARG QD . . 4.540 3.561 1.752 4.130 . 0 0 "[ . 1 . 2]" 1
65 1 21 PRO HB2 1 22 THR H . . 4.650 2.972 2.852 3.044 . 0 0 "[ . 1 . 2]" 1
66 1 21 PRO HB3 1 22 THR MG . . 5.500 4.649 3.724 5.462 . 0 0 "[ . 1 . 2]" 1
67 1 21 PRO HD2 1 23 ARG QB . . 5.500 3.136 2.870 3.658 . 0 0 "[ . 1 . 2]" 1
68 1 22 THR H 1 23 ARG H . . 4.080 1.776 1.647 2.568 . 0 0 "[ . 1 . 2]" 1
69 1 22 THR H 1 23 ARG HA . . 4.920 4.325 4.183 4.447 . 0 0 "[ . 1 . 2]" 1
70 1 22 THR H 1 23 ARG QD . . 5.130 3.922 3.258 4.844 . 0 0 "[ . 1 . 2]" 1
71 1 22 THR HB 1 23 ARG H . . 5.260 3.807 3.282 4.522 . 0 0 "[ . 1 . 2]" 1
72 1 22 THR MG 1 23 ARG H . . 4.730 4.095 2.068 4.463 . 0 0 "[ . 1 . 2]" 1
73 1 23 ARG HA 1 23 ARG QD . . 4.930 2.759 1.935 4.496 . 0 0 "[ . 1 . 2]" 1
74 1 23 ARG QB 1 24 LEU H . . 4.020 2.168 1.817 3.216 . 0 0 "[ . 1 . 2]" 1
75 1 24 LEU HA 1 26 THR H . . 5.500 4.210 3.904 4.691 . 0 0 "[ . 1 . 2]" 1
76 1 24 LEU HB2 1 25 SER H . . 4.640 3.106 2.345 3.832 . 0 0 "[ . 1 . 2]" 1
77 1 24 LEU HB2 1 26 THR H . . 3.980 3.011 2.147 4.032 0.052 16 0 "[ . 1 . 2]" 1
78 1 24 LEU HB2 1 26 THR MG . . 5.240 3.220 2.166 5.277 0.037 2 0 "[ . 1 . 2]" 1
79 1 24 LEU HB3 1 26 THR HA . . 4.780 4.939 4.283 5.685 0.905 10 5 "[* . + * . -*2]" 1
80 1 25 SER H 1 26 THR H . . 4.460 2.616 2.433 3.072 . 0 0 "[ . 1 . 2]" 1
81 1 25 SER HA 1 26 THR HA . . 5.500 4.611 4.465 4.791 . 0 0 "[ . 1 . 2]" 1
82 1 25 SER HA 1 26 THR MG . . 5.500 4.590 4.267 5.872 0.372 2 0 "[ . 1 . 2]" 1
83 1 26 THR H 1 26 THR HB . . 4.190 3.533 2.588 3.834 . 0 0 "[ . 1 . 2]" 1
84 1 26 THR H 1 26 THR MG . . 4.220 2.381 1.870 3.811 . 0 0 "[ . 1 . 2]" 1
85 1 26 THR HA 1 27 THR HA . . 5.000 4.454 4.345 4.603 . 0 0 "[ . 1 . 2]" 1
86 1 26 THR HA 1 27 THR MG . . 5.330 4.575 3.496 5.341 0.011 11 0 "[ . 1 . 2]" 1
87 1 26 THR HB 1 27 THR H . . 4.990 2.675 1.892 4.174 . 0 0 "[ . 1 . 2]" 1
88 1 26 THR MG 1 27 THR H . . 5.500 3.739 2.521 4.150 . 0 0 "[ . 1 . 2]" 1
89 1 27 THR H 1 28 PHE H . . 4.520 4.360 4.073 4.582 0.062 9 0 "[ . 1 . 2]" 1
90 1 27 THR H 1 28 PHE HA . . 5.500 5.074 4.726 5.347 . 0 0 "[ . 1 . 2]" 1
91 1 27 THR H 1 54 VAL H . . 4.250 3.512 2.988 4.158 . 0 0 "[ . 1 . 2]" 1
92 1 27 THR H 1 54 VAL HB . . 4.530 3.864 2.622 4.923 0.393 6 0 "[ . 1 . 2]" 1
93 1 27 THR H 1 54 VAL MG1 . . 5.410 4.051 1.941 5.265 . 0 0 "[ . 1 . 2]" 1
94 1 27 THR H 1 54 VAL MG2 . . 5.500 4.866 3.266 5.509 0.009 4 0 "[ . 1 . 2]" 1
95 1 27 THR H 1 55 TYR HA . . 4.670 3.713 3.161 4.752 0.082 16 0 "[ . 1 . 2]" 1
96 1 27 THR HA 1 28 PHE HA . . 5.500 4.424 4.402 4.498 . 0 0 "[ . 1 . 2]" 1
97 1 27 THR HB 1 28 PHE H . . 4.160 3.395 2.992 3.969 . 0 0 "[ . 1 . 2]" 1
98 1 27 THR HB 1 28 PHE HA . . 4.470 4.198 3.913 4.473 0.003 11 0 "[ . 1 . 2]" 1
99 1 27 THR HB 1 54 VAL H . . 5.500 4.177 3.146 5.523 0.023 20 0 "[ . 1 . 2]" 1
100 1 27 THR HB 1 54 VAL HB . . 4.980 3.778 2.085 5.461 0.481 1 0 "[ . 1 . 2]" 1
101 1 27 THR HB 1 54 VAL MG2 . . 5.500 4.334 2.047 5.535 0.035 20 0 "[ . 1 . 2]" 1
102 1 27 THR MG 1 28 PHE H . . 4.760 3.012 2.042 3.906 . 0 0 "[ . 1 . 2]" 1
103 1 28 PHE HA 1 52 VAL HB . . 5.500 5.258 4.503 6.015 0.515 19 2 "[ . - 1 . +2]" 1
104 1 28 PHE HA 1 53 SER HA . . 4.450 2.574 1.947 4.420 . 0 0 "[ . 1 . 2]" 1
105 1 28 PHE HA 1 54 VAL H . . 5.500 3.391 2.616 4.405 . 0 0 "[ . 1 . 2]" 1
106 1 28 PHE HA 1 54 VAL HB . . 5.430 5.105 4.396 5.701 0.271 19 0 "[ . 1 . 2]" 1
107 1 29 SER H 1 52 VAL QG . . 5.500 3.817 2.038 4.847 . 0 0 "[ . 1 . 2]" 1
108 1 29 SER HA 1 30 ALA HA . . 4.830 4.409 4.377 4.482 . 0 0 "[ . 1 . 2]" 1
109 1 29 SER HA 1 30 ALA MB . . 5.500 3.918 3.830 4.040 . 0 0 "[ . 1 . 2]" 1
110 1 30 ALA HA 1 51 TYR QB . . 5.500 3.110 1.890 4.327 . 0 0 "[ . 1 . 2]" 1
111 1 30 ALA HA 1 52 VAL H . . 4.130 3.312 2.210 3.933 . 0 0 "[ . 1 . 2]" 1
112 1 30 ALA MB 1 31 SER HA . . 5.500 3.963 3.833 4.266 . 0 0 "[ . 1 . 2]" 1
113 1 30 ALA MB 1 51 TYR HA . . 5.500 3.745 1.943 5.870 0.370 19 0 "[ . 1 . 2]" 1
114 1 31 SER H 1 50 GLN H . . 4.840 4.239 3.586 5.088 0.248 19 0 "[ . 1 . 2]" 1
115 1 31 SER H 1 51 TYR HA . . 5.250 3.112 2.817 4.423 . 0 0 "[ . 1 . 2]" 1
116 1 31 SER H 1 52 VAL QG . . 5.500 4.773 2.950 5.437 . 0 0 "[ . 1 . 2]" 1
117 1 31 SER HA 1 50 GLN H . . 5.500 5.338 4.597 6.062 0.562 19 1 "[ . 1 . +2]" 1
118 1 32 LEU H 1 32 LEU QD . . 4.470 2.756 1.769 3.717 . 0 0 "[ . 1 . 2]" 1
119 1 32 LEU HA 1 33 LEU HA . . 4.720 4.423 4.390 4.500 . 0 0 "[ . 1 . 2]" 1
120 1 32 LEU HA 1 49 GLY HA2 . . 4.780 2.261 1.960 2.995 . 0 0 "[ . 1 . 2]" 1
121 1 32 LEU HA 1 50 GLN H . . 4.930 2.294 1.953 2.712 . 0 0 "[ . 1 . 2]" 1
122 1 32 LEU HA 1 50 GLN QB . . 4.890 4.014 2.665 4.780 . 0 0 "[ . 1 . 2]" 1
123 1 32 LEU QD 1 33 LEU H . . 4.440 2.974 1.897 4.118 . 0 0 "[ . 1 . 2]" 1
124 1 32 LEU QD 1 33 LEU HA . . 4.750 3.328 2.426 4.612 . 0 0 "[ . 1 . 2]" 1
125 1 32 LEU QD 1 34 ARG H . . 4.830 3.290 2.143 4.670 . 0 0 "[ . 1 . 2]" 1
126 1 32 LEU QD 1 34 ARG HA . . 5.060 3.981 2.922 4.990 . 0 0 "[ . 1 . 2]" 1
127 1 32 LEU QD 2 116 GLY H . . 5.500 3.685 2.762 4.799 . 0 0 "[ . 1 . 2]" 1
128 1 32 LEU QD 2 116 GLY HA3 . . 5.230 2.492 1.772 3.369 . 0 0 "[ . 1 . 2]" 1
129 1 33 LEU H 1 49 GLY H . . 4.330 3.912 3.325 4.415 0.085 12 0 "[ . 1 . 2]" 1
130 1 33 LEU H 1 49 GLY HA2 . . 4.320 2.661 1.876 3.797 . 0 0 "[ . 1 . 2]" 1
131 1 33 LEU H 1 49 GLY HA3 . . 5.500 4.288 3.490 5.270 . 0 0 "[ . 1 . 2]" 1
132 1 33 LEU HA 1 34 ARG HA . . 5.500 4.431 4.378 4.519 . 0 0 "[ . 1 . 2]" 1
133 1 41 ILE HA 1 42 ALA MB . . 5.150 4.787 3.969 5.049 . 0 0 "[ . 1 . 2]" 1
134 1 41 ILE HB 1 42 ALA H . . 4.430 2.952 1.915 4.408 . 0 0 "[ . 1 . 2]" 1
135 1 41 ILE HB 1 42 ALA MB . . 5.240 4.103 3.222 5.270 0.030 3 0 "[ . 1 . 2]" 1
136 1 41 ILE MG 1 42 ALA H . . 4.520 3.440 2.102 4.256 . 0 0 "[ . 1 . 2]" 1
137 1 41 ILE MG 1 42 ALA HA . . 5.500 4.094 3.337 5.565 0.065 19 0 "[ . 1 . 2]" 1
138 1 41 ILE MG 1 42 ALA MB . . 5.500 4.102 2.713 5.203 . 0 0 "[ . 1 . 2]" 1
139 1 42 ALA MB 2 73 PRO HA . . 5.500 3.540 1.910 5.245 . 0 0 "[ . 1 . 2]" 1
140 1 44 LEU HA 1 87 ALA H . . 4.870 4.504 3.636 4.906 0.036 19 0 "[ . 1 . 2]" 1
141 1 44 LEU HA 1 87 ALA MB . . 5.500 3.462 2.142 4.709 . 0 0 "[ . 1 . 2]" 1
142 1 44 LEU QD 1 45 ASN H . . 5.500 3.371 2.221 4.509 . 0 0 "[ . 1 . 2]" 1
143 1 44 LEU QD 1 86 SER HA . . 5.500 4.102 2.768 4.845 . 0 0 "[ . 1 . 2]" 1
144 1 44 LEU QD 1 87 ALA H . . 4.760 2.925 2.015 4.018 . 0 0 "[ . 1 . 2]" 1
145 1 44 LEU QD 1 88 GLU H . . 5.500 2.918 1.887 4.267 . 0 0 "[ . 1 . 2]" 1
146 1 44 LEU QD 2 73 PRO HB2 . . 5.500 3.210 2.331 4.174 . 0 0 "[ . 1 . 2]" 1
147 1 44 LEU QD 2 73 PRO HB3 . . 5.500 3.657 2.728 5.162 . 0 0 "[ . 1 . 2]" 1
148 1 44 LEU QD 2 75 GLU H . . 4.930 4.397 3.715 4.809 . 0 0 "[ . 1 . 2]" 1
149 1 44 LEU QD 2 75 GLU HA . . 5.500 3.479 2.393 4.465 . 0 0 "[ . 1 . 2]" 1
150 1 44 LEU QD 2 75 GLU HB3 . . 5.500 3.987 2.771 5.330 . 0 0 "[ . 1 . 2]" 1
151 1 46 ASN HA 1 47 VAL HA . . 5.500 4.402 4.393 4.420 . 0 0 "[ . 1 . 2]" 1
152 1 46 ASN HA 1 47 VAL MG2 . . 5.480 3.938 3.160 5.511 0.031 6 0 "[ . 1 . 2]" 1
153 1 46 ASN QB 1 47 VAL H . . 4.730 3.467 3.178 3.799 . 0 0 "[ . 1 . 2]" 1
154 1 47 VAL MG2 1 86 SER HA . . 5.500 4.185 2.573 6.079 0.579 15 1 "[ . 1 + 2]" 1
155 1 48 SER HA 1 49 GLY HA2 . . 4.680 4.622 4.454 4.755 0.075 13 0 "[ . 1 . 2]" 1
156 1 48 SER HA 1 83 ILE HA . . 5.500 5.350 4.962 5.698 0.198 19 0 "[ . 1 . 2]" 1
157 1 48 SER HA 1 83 ILE HB . . 5.290 4.333 3.575 5.272 . 0 0 "[ . 1 . 2]" 1
158 1 48 SER HA 1 84 SER H . . 4.870 4.530 4.298 4.750 . 0 0 "[ . 1 . 2]" 1
159 1 48 SER HA 1 84 SER HA . . 4.730 2.119 1.915 2.540 . 0 0 "[ . 1 . 2]" 1
160 1 49 GLY H 1 50 GLN H . . 5.080 4.014 3.853 4.254 . 0 0 "[ . 1 . 2]" 1
161 1 49 GLY H 1 50 GLN QB . . 5.500 4.316 3.953 5.134 . 0 0 "[ . 1 . 2]" 1
162 1 49 GLY H 1 83 ILE HA . . 5.500 4.847 4.406 5.189 . 0 0 "[ . 1 . 2]" 1
163 1 49 GLY H 1 83 ILE HB . . 5.240 3.711 2.882 4.544 . 0 0 "[ . 1 . 2]" 1
164 1 49 GLY H 1 84 SER H . . 5.210 4.919 4.679 5.139 . 0 0 "[ . 1 . 2]" 1
165 1 49 GLY H 1 84 SER HA . . 5.500 3.578 3.289 3.868 . 0 0 "[ . 1 . 2]" 1
166 1 49 GLY HA2 1 50 GLN QB . . 4.430 4.075 3.935 4.301 . 0 0 "[ . 1 . 2]" 1
167 1 50 GLN H 1 50 GLN QB . . 3.790 2.581 2.319 3.039 . 0 0 "[ . 1 . 2]" 1
168 1 50 GLN H 1 50 GLN QG . . 3.950 3.758 2.436 4.277 0.327 12 0 "[ . 1 . 2]" 1
169 1 50 GLN H 1 51 TYR H . . 4.490 4.343 3.801 4.472 . 0 0 "[ . 1 . 2]" 1
170 1 50 GLN H 1 51 TYR HA . . 5.150 4.930 4.748 5.186 0.036 3 0 "[ . 1 . 2]" 1
171 1 50 GLN H 1 82 VAL QG . . 5.430 4.347 3.698 4.899 . 0 0 "[ . 1 . 2]" 1
172 1 50 GLN H 1 83 ILE H . . 4.710 4.759 4.612 4.911 0.201 17 0 "[ . 1 . 2]" 1
173 1 50 GLN HA 1 82 VAL HA . . 4.700 2.243 1.966 2.468 . 0 0 "[ . 1 . 2]" 1
174 1 50 GLN HA 1 82 VAL HB . . 5.500 4.491 2.970 5.268 . 0 0 "[ . 1 . 2]" 1
175 1 50 GLN HA 1 82 VAL QG . . 5.340 2.874 2.023 3.478 . 0 0 "[ . 1 . 2]" 1
176 1 50 GLN HA 1 83 ILE H . . 4.450 3.374 3.017 3.534 . 0 0 "[ . 1 . 2]" 1
177 1 50 GLN QB 1 51 TYR H . . 5.450 3.518 2.773 3.945 . 0 0 "[ . 1 . 2]" 1
178 1 50 GLN QB 1 51 TYR HA . . 5.500 4.562 4.108 4.772 . 0 0 "[ . 1 . 2]" 1
179 1 50 GLN QB 1 82 VAL QG . . 5.500 2.060 1.702 2.868 . 0 0 "[ . 1 . 2]" 1
180 1 50 GLN QG 1 51 TYR H . . 5.100 2.722 2.175 3.675 . 0 0 "[ . 1 . 2]" 1
181 1 50 GLN QG 1 51 TYR HA . . 5.490 3.535 3.222 4.744 . 0 0 "[ . 1 . 2]" 1
182 1 50 GLN QG 1 51 TYR QB . . 5.290 4.631 4.334 5.309 0.019 3 0 "[ . 1 . 2]" 1
183 1 50 GLN QG 1 82 VAL HA . . 5.500 3.478 2.845 4.729 . 0 0 "[ . 1 . 2]" 1
184 1 50 GLN QG 1 82 VAL QG . . 5.230 2.420 1.828 3.755 . 0 0 "[ . 1 . 2]" 1
185 1 50 GLN QG 1 83 ILE H . . 5.500 4.977 4.509 5.468 . 0 0 "[ . 1 . 2]" 1
186 1 51 TYR H 1 52 VAL H . . 4.730 4.344 4.200 4.475 . 0 0 "[ . 1 . 2]" 1
187 1 51 TYR H 1 80 ARG HA . . 5.330 4.903 4.443 5.786 0.456 19 0 "[ . 1 . 2]" 1
188 1 51 TYR H 1 82 VAL HA . . 5.140 3.558 2.910 3.944 . 0 0 "[ . 1 . 2]" 1
189 1 51 TYR H 1 83 ILE H . . 5.500 5.210 4.774 5.552 0.052 20 0 "[ . 1 . 2]" 1
190 1 51 TYR HA 1 52 VAL HB . . 5.500 4.888 4.270 5.634 0.134 3 0 "[ . 1 . 2]" 1
191 1 51 TYR HA 1 52 VAL QG . . 5.320 3.248 2.882 3.709 . 0 0 "[ . 1 . 2]" 1
192 1 51 TYR QB 1 52 VAL H . . 5.500 2.861 2.548 3.233 . 0 0 "[ . 1 . 2]" 1
193 1 52 VAL H 1 52 VAL HB . . 3.930 3.066 2.690 3.930 . 0 0 "[ . 1 . 2]" 1
194 1 52 VAL H 1 52 VAL QG . . 4.200 2.489 2.050 2.944 . 0 0 "[ . 1 . 2]" 1
195 1 52 VAL H 1 53 SER H . . 5.500 4.344 4.062 4.461 . 0 0 "[ . 1 . 2]" 1
196 1 52 VAL H 1 80 ARG HA . . 5.440 5.025 4.766 5.368 . 0 0 "[ . 1 . 2]" 1
197 1 52 VAL HA 1 80 ARG HA . . 4.840 2.545 2.173 4.633 . 0 0 "[ . 1 . 2]" 1
198 1 52 VAL HA 1 81 THR H . . 4.700 3.500 2.750 4.257 . 0 0 "[ . 1 . 2]" 1
199 1 52 VAL HB 1 53 SER HA . . 5.290 4.511 4.092 5.684 0.394 8 0 "[ . 1 . 2]" 1
200 1 52 VAL HB 1 80 ARG HA . . 5.350 4.687 2.859 5.360 0.010 18 0 "[ . 1 . 2]" 1
201 1 52 VAL QG 1 53 SER H . . 4.890 2.424 1.879 3.101 . 0 0 "[ . 1 . 2]" 1
202 1 52 VAL QG 1 53 SER HA . . 5.500 3.824 3.179 4.342 . 0 0 "[ . 1 . 2]" 1
203 1 52 VAL QG 1 54 VAL HA . . 5.500 4.817 4.034 5.407 . 0 0 "[ . 1 . 2]" 1
204 1 52 VAL QG 1 79 ILE HA . . 5.500 4.831 3.912 5.374 . 0 0 "[ . 1 . 2]" 1
205 1 52 VAL QG 1 80 ARG HA . . 5.500 2.532 1.544 2.955 . 0 0 "[ . 1 . 2]" 1
206 1 52 VAL QG 1 81 THR H . . 5.500 3.337 1.593 4.206 . 0 0 "[ . 1 . 2]" 1
207 1 53 SER H 1 54 VAL H . . 4.540 4.329 3.951 4.514 . 0 0 "[ . 1 . 2]" 1
208 1 53 SER H 1 54 VAL MG2 . . 5.500 4.222 3.566 5.934 0.434 6 0 "[ . 1 . 2]" 1
209 1 53 SER H 1 79 ILE H . . 4.470 3.027 2.501 3.859 . 0 0 "[ . 1 . 2]" 1
210 1 53 SER H 1 79 ILE HB . . 4.620 3.264 1.946 3.842 . 0 0 "[ . 1 . 2]" 1
211 1 53 SER HA 1 54 VAL HB . . 5.500 4.589 4.339 5.492 . 0 0 "[ . 1 . 2]" 1
212 1 53 SER HA 1 54 VAL MG2 . . 5.500 3.810 3.113 5.476 . 0 0 "[ . 1 . 2]" 1
213 1 54 VAL HA 1 78 SER HA . . 4.530 2.572 2.140 3.820 . 0 0 "[ . 1 . 2]" 1
214 1 54 VAL HA 1 79 ILE H . . 5.300 3.603 3.088 4.720 . 0 0 "[ . 1 . 2]" 1
215 1 54 VAL HB 1 55 TYR HA . . 5.500 4.891 4.366 5.744 0.244 1 0 "[ . 1 . 2]" 1
216 1 54 VAL HB 1 78 SER HA . . 5.500 5.261 4.018 6.016 0.516 16 1 "[ . 1 .+ 2]" 1
217 1 54 VAL MG1 1 78 SER HA . . 5.500 3.906 3.166 5.368 . 0 0 "[ . 1 . 2]" 1
218 1 54 VAL MG2 1 78 SER HA . . 5.500 3.532 2.534 5.429 . 0 0 "[ . 1 . 2]" 1
219 1 58 PRO HA 1 59 ALA HA . . 4.700 4.354 4.307 4.404 . 0 0 "[ . 1 . 2]" 1
220 1 58 PRO HA 1 59 ALA MB . . 5.420 3.973 3.890 4.162 . 0 0 "[ . 1 . 2]" 1
221 1 58 PRO HA 1 74 ASN HA . . 4.390 2.049 1.863 2.348 . 0 0 "[ . 1 . 2]" 1
222 1 58 PRO HA 1 75 GLU H . . 4.770 2.776 2.007 3.382 . 0 0 "[ . 1 . 2]" 1
223 1 58 PRO HB2 1 59 ALA HA . . 4.750 4.652 4.370 4.804 0.054 10 0 "[ . 1 . 2]" 1
224 1 58 PRO HB2 1 59 ALA MB . . 5.500 4.515 3.947 4.945 . 0 0 "[ . 1 . 2]" 1
225 1 59 ALA H 1 73 PRO HA . . 5.060 5.119 5.023 5.216 0.156 18 0 "[ . 1 . 2]" 1
226 1 59 ALA H 1 73 PRO HB2 . . 4.950 4.586 4.098 4.971 0.021 18 0 "[ . 1 . 2]" 1
227 1 59 ALA H 1 74 ASN H . . 4.590 4.471 4.207 4.691 0.101 1 0 "[ . 1 . 2]" 1
228 1 59 ALA H 1 74 ASN HA . . 4.880 2.320 1.933 2.762 . 0 0 "[ . 1 . 2]" 1
229 1 59 ALA H 1 75 GLU H . . 4.690 3.973 3.463 4.607 . 0 0 "[ . 1 . 2]" 1
230 1 59 ALA HA 1 73 PRO HG2 . . 5.500 4.401 3.500 5.524 0.024 18 0 "[ . 1 . 2]" 1
231 1 59 ALA MB 1 72 MET HA . . 5.500 4.444 3.013 5.604 0.104 16 0 "[ . 1 . 2]" 1
232 1 59 ALA MB 1 72 MET HB2 . . 5.500 3.674 1.938 5.060 . 0 0 "[ . 1 . 2]" 1
233 1 59 ALA MB 1 73 PRO HA . . 5.030 4.156 3.773 4.454 . 0 0 "[ . 1 . 2]" 1
234 1 59 ALA MB 1 73 PRO HB2 . . 4.940 3.006 1.912 3.998 . 0 0 "[ . 1 . 2]" 1
235 1 59 ALA MB 1 73 PRO HG2 . . 5.500 2.019 1.873 2.840 . 0 0 "[ . 1 . 2]" 1
236 1 59 ALA MB 1 74 ASN HA . . 5.400 3.240 2.397 3.937 . 0 0 "[ . 1 . 2]" 1
237 1 59 ALA MB 1 74 ASN HB2 . . 5.500 5.105 4.338 5.504 0.004 5 0 "[ . 1 . 2]" 1
238 1 59 ALA MB 1 74 ASN HB3 . . 5.500 4.495 3.858 5.375 . 0 0 "[ . 1 . 2]" 1
239 1 65 CYS HA 1 66 ALA MB . . 5.160 3.986 3.844 4.086 . 0 0 "[ . 1 . 2]" 1
240 1 65 CYS HA 1 67 ASP H . . 4.760 4.702 4.157 4.814 0.054 8 0 "[ . 1 . 2]" 1
241 1 66 ALA H 1 67 ASP H . . 4.750 3.579 3.102 3.902 . 0 0 "[ . 1 . 2]" 1
242 1 67 ASP H 1 68 ALA H . . 4.600 3.153 2.199 4.613 0.013 17 0 "[ . 1 . 2]" 1
243 1 67 ASP HA 1 68 ALA HA . . 4.840 4.517 4.318 4.736 . 0 0 "[ . 1 . 2]" 1
244 1 67 ASP HA 1 68 ALA MB . . 5.360 4.724 4.251 5.045 . 0 0 "[ . 1 . 2]" 1
245 1 67 ASP HB3 1 68 ALA MB . . 5.500 3.682 3.352 4.359 . 0 0 "[ . 1 . 2]" 1
246 1 69 CYS H 1 70 VAL H . . 4.440 4.321 3.824 4.457 0.017 9 0 "[ . 1 . 2]" 1
247 1 69 CYS HA 1 70 VAL QG . . 5.500 3.545 2.946 4.099 . 0 0 "[ . 1 . 2]" 1
248 1 69 CYS QB 1 70 VAL HB . . 5.500 4.853 3.842 5.674 0.174 10 0 "[ . 1 . 2]" 1
249 1 69 CYS QB 1 70 VAL QG . . 5.500 3.830 3.042 4.552 . 0 0 "[ . 1 . 2]" 1
250 1 70 VAL QG 1 71 ILE H . . 5.100 2.596 1.862 3.658 . 0 0 "[ . 1 . 2]" 1
251 1 70 VAL QG 1 71 ILE HA . . 5.090 3.624 3.250 4.283 . 0 0 "[ . 1 . 2]" 1
252 1 70 VAL QG 1 72 MET H . . 4.570 3.837 2.910 4.725 0.155 2 0 "[ . 1 . 2]" 1
253 1 72 MET H 1 73 PRO HA . . 5.310 5.247 4.680 5.555 0.245 3 0 "[ . 1 . 2]" 1
254 1 73 PRO HA 2 42 ALA MB . . 5.500 3.540 1.916 5.465 . 0 0 "[ . 1 . 2]" 1
255 1 73 PRO HB2 1 74 ASN H . . 4.050 2.759 2.314 3.361 . 0 0 "[ . 1 . 2]" 1
256 1 73 PRO HB2 2 44 LEU QD . . 5.500 3.178 2.337 4.023 . 0 0 "[ . 1 . 2]" 1
257 1 73 PRO HB3 2 44 LEU QD . . 5.500 3.639 2.908 4.509 . 0 0 "[ . 1 . 2]" 1
258 1 74 ASN H 1 75 GLU H . . 4.370 4.204 4.026 4.333 . 0 0 "[ . 1 . 2]" 1
259 1 74 ASN HB2 1 75 GLU H . . 5.420 3.214 2.888 4.084 . 0 0 "[ . 1 . 2]" 1
260 1 74 ASN HB3 1 75 GLU HA . . 5.500 5.773 5.177 5.929 0.429 9 0 "[ . 1 . 2]" 1
261 1 75 GLU H 1 75 GLU HG2 . . 4.780 3.552 2.150 4.531 . 0 0 "[ . 1 . 2]" 1
262 1 75 GLU H 1 75 GLU HG3 . . 5.500 3.446 2.394 4.802 . 0 0 "[ . 1 . 2]" 1
263 1 75 GLU H 1 76 ASN H . . 4.690 4.476 3.993 4.567 . 0 0 "[ . 1 . 2]" 1
264 1 75 GLU H 2 44 LEU QD . . 4.930 4.416 3.682 4.947 0.017 18 0 "[ . 1 . 2]" 1
265 1 75 GLU HA 1 76 ASN HB3 . . 5.500 4.857 4.164 5.693 0.193 14 0 "[ . 1 . 2]" 1
266 1 75 GLU HA 2 44 LEU QD . . 5.500 3.402 2.395 4.295 . 0 0 "[ . 1 . 2]" 1
267 1 75 GLU HB2 1 76 ASN H . . 4.230 3.891 2.928 4.285 0.055 11 0 "[ . 1 . 2]" 1
268 1 75 GLU HB3 1 76 ASN H . . 4.540 3.434 2.694 4.441 . 0 0 "[ . 1 . 2]" 1
269 1 75 GLU HB3 2 44 LEU QD . . 5.500 4.056 3.168 5.325 . 0 0 "[ . 1 . 2]" 1
270 1 75 GLU HG3 1 76 ASN H . . 5.160 4.524 2.519 5.651 0.491 14 0 "[ . 1 . 2]" 1
271 1 76 ASN H 1 76 ASN HB3 . . 4.150 3.251 2.553 3.939 . 0 0 "[ . 1 . 2]" 1
272 1 76 ASN HB3 1 77 GLN H . . 4.480 4.051 3.384 4.482 0.002 15 0 "[ . 1 . 2]" 1
273 1 77 GLN HA 2 85 GLY HA2 . . 5.460 2.999 2.308 4.453 . 0 0 "[ . 1 . 2]" 1
274 1 77 GLN HA 2 85 GLY HA3 . . 5.500 2.800 2.021 4.548 . 0 0 "[ . 1 . 2]" 1
275 1 78 SER H 1 79 ILE MD . . 5.500 5.113 4.827 5.548 0.048 19 0 "[ . 1 . 2]" 1
276 1 78 SER H 1 79 ILE HG12 . . 4.960 4.662 4.146 5.498 0.538 19 1 "[ . 1 . +2]" 1
277 1 78 SER H 1 79 ILE HG13 . . 5.420 3.983 3.675 4.382 . 0 0 "[ . 1 . 2]" 1
278 1 78 SER HA 1 79 ILE HA . . 5.500 4.409 4.393 4.453 . 0 0 "[ . 1 . 2]" 1
279 1 78 SER HA 1 79 ILE HB . . 4.780 4.628 4.453 4.770 . 0 0 "[ . 1 . 2]" 1
280 1 78 SER HA 1 79 ILE MD . . 5.500 4.909 4.348 5.225 . 0 0 "[ . 1 . 2]" 1
281 1 78 SER HA 1 79 ILE HG12 . . 5.500 4.964 4.549 5.316 . 0 0 "[ . 1 . 2]" 1
282 1 78 SER HA 2 84 SER H . . 5.500 4.911 4.735 5.086 . 0 0 "[ . 1 . 2]" 1
283 1 79 ILE H 1 79 ILE HB . . 4.050 2.740 2.610 2.961 . 0 0 "[ . 1 . 2]" 1
284 1 79 ILE H 2 83 ILE MG . . 5.030 4.902 4.577 5.080 0.050 16 0 "[ . 1 . 2]" 1
285 1 79 ILE HA 1 80 ARG HA . . 5.500 4.411 4.388 4.489 . 0 0 "[ . 1 . 2]" 1
286 1 79 ILE HA 1 80 ARG QB . . 5.010 4.246 3.830 4.732 . 0 0 "[ . 1 . 2]" 1
287 1 79 ILE HA 2 83 ILE HA . . 4.590 2.541 2.290 2.711 . 0 0 "[ . 1 . 2]" 1
288 1 79 ILE HA 2 83 ILE HG12 . . 5.500 3.774 2.662 4.330 . 0 0 "[ . 1 . 2]" 1
289 1 79 ILE HA 2 83 ILE HG13 . . 5.500 2.944 2.275 3.594 . 0 0 "[ . 1 . 2]" 1
290 1 79 ILE HA 2 83 ILE MG . . 5.500 3.356 3.111 3.616 . 0 0 "[ . 1 . 2]" 1
291 1 79 ILE HA 2 84 SER H . . 4.350 3.830 3.545 4.021 . 0 0 "[ . 1 . 2]" 1
292 1 79 ILE HB 1 80 ARG H . . 4.550 4.131 3.487 4.399 . 0 0 "[ . 1 . 2]" 1
293 1 79 ILE HB 1 80 ARG HA . . 4.910 4.694 4.314 4.913 0.003 6 0 "[ . 1 . 2]" 1
294 1 79 ILE HB 2 83 ILE HG12 . . 5.500 4.975 4.144 5.549 0.049 16 0 "[ . 1 . 2]" 1
295 1 79 ILE HB 2 83 ILE HG13 . . 5.500 4.906 4.220 5.519 0.019 5 0 "[ . 1 . 2]" 1
296 1 79 ILE HB 2 83 ILE MG . . 5.500 4.699 4.380 5.133 . 0 0 "[ . 1 . 2]" 1
297 1 79 ILE MD 2 84 SER H . . 5.500 5.446 5.106 5.666 0.166 19 0 "[ . 1 . 2]" 1
298 1 79 ILE HG12 1 80 ARG H . . 5.500 4.465 4.178 4.798 . 0 0 "[ . 1 . 2]" 1
299 1 79 ILE HG12 2 83 ILE HA . . 5.090 3.361 2.615 3.897 . 0 0 "[ . 1 . 2]" 1
300 1 79 ILE HG12 2 84 SER H . . 4.540 4.266 3.839 4.644 0.104 19 0 "[ . 1 . 2]" 1
301 1 79 ILE HG13 2 83 ILE HA . . 4.770 4.376 3.618 4.797 0.027 16 0 "[ . 1 . 2]" 1
302 1 79 ILE HG13 2 84 SER H . . 5.500 4.687 3.942 5.076 . 0 0 "[ . 1 . 2]" 1
303 1 80 ARG H 2 82 VAL H . . 4.770 3.075 2.769 3.532 . 0 0 "[ . 1 . 2]" 1
304 1 80 ARG H 2 82 VAL QG . . 4.980 3.349 2.475 4.076 . 0 0 "[ . 1 . 2]" 1
305 1 80 ARG H 2 83 ILE HA . . 4.270 3.632 3.349 3.944 . 0 0 "[ . 1 . 2]" 1
306 1 80 ARG H 2 83 ILE HG12 . . 5.200 4.769 3.484 5.229 0.029 4 0 "[ . 1 . 2]" 1
307 1 80 ARG H 2 83 ILE HG13 . . 5.500 3.418 2.905 3.975 . 0 0 "[ . 1 . 2]" 1
308 1 80 ARG H 2 83 ILE MG . . 5.500 4.858 4.591 5.092 . 0 0 "[ . 1 . 2]" 1
309 1 80 ARG QB 2 82 VAL H . . 5.500 3.340 2.439 4.014 . 0 0 "[ . 1 . 2]" 1
310 1 81 THR MG 1 82 VAL H . . 5.100 3.013 2.119 4.251 . 0 0 "[ . 1 . 2]" 1
311 1 81 THR MG 1 82 VAL QG . . 5.500 4.106 3.509 4.534 . 0 0 "[ . 1 . 2]" 1
312 1 82 VAL H 1 83 ILE H . . 4.540 4.309 4.120 4.402 . 0 0 "[ . 1 . 2]" 1
313 1 82 VAL H 1 83 ILE HG13 . . 4.890 3.831 3.416 4.101 . 0 0 "[ . 1 . 2]" 1
314 1 82 VAL H 2 80 ARG H . . 4.770 3.073 2.788 3.480 . 0 0 "[ . 1 . 2]" 1
315 1 82 VAL H 2 80 ARG QB . . 5.500 3.430 2.590 3.982 . 0 0 "[ . 1 . 2]" 1
316 1 82 VAL HA 1 83 ILE HA . . 5.210 4.416 4.394 4.435 . 0 0 "[ . 1 . 2]" 1
317 1 82 VAL HB 1 83 ILE H . . 5.410 3.950 2.990 4.327 . 0 0 "[ . 1 . 2]" 1
318 1 82 VAL QG 1 83 ILE H . . 5.230 2.533 2.042 3.556 . 0 0 "[ . 1 . 2]" 1
319 1 82 VAL QG 1 83 ILE HA . . 5.500 3.513 3.260 4.345 . 0 0 "[ . 1 . 2]" 1
320 1 82 VAL QG 1 84 SER QB . . 5.500 3.592 3.224 4.773 . 0 0 "[ . 1 . 2]" 1
321 1 82 VAL QG 2 80 ARG H . . 4.980 3.245 2.224 4.121 . 0 0 "[ . 1 . 2]" 1
322 1 83 ILE H 1 83 ILE HB . . 4.180 2.833 2.714 2.936 . 0 0 "[ . 1 . 2]" 1
323 1 83 ILE H 1 83 ILE MD . . 5.050 2.863 2.405 4.191 . 0 0 "[ . 1 . 2]" 1
324 1 83 ILE H 1 83 ILE HG12 . . 5.440 4.468 4.230 4.627 . 0 0 "[ . 1 . 2]" 1
325 1 83 ILE HA 1 84 SER QB . . 5.500 4.021 3.891 4.157 . 0 0 "[ . 1 . 2]" 1
326 1 83 ILE HA 2 79 ILE HA . . 4.590 2.565 2.419 2.694 . 0 0 "[ . 1 . 2]" 1
327 1 83 ILE HA 2 79 ILE HG12 . . 5.090 3.341 2.872 3.948 . 0 0 "[ . 1 . 2]" 1
328 1 83 ILE HA 2 79 ILE HG13 . . 4.770 4.362 3.688 4.797 0.027 12 0 "[ . 1 . 2]" 1
329 1 83 ILE HA 2 80 ARG H . . 4.270 3.675 3.346 3.976 . 0 0 "[ . 1 . 2]" 1
330 1 83 ILE HB 1 84 SER H . . 4.310 4.110 3.715 4.331 0.021 9 0 "[ . 1 . 2]" 1
331 1 83 ILE HB 1 84 SER HA . . 5.050 4.639 4.409 4.806 . 0 0 "[ . 1 . 2]" 1
332 1 83 ILE MD 1 84 SER H . . 5.290 5.102 5.000 5.327 0.037 18 0 "[ . 1 . 2]" 1
333 1 83 ILE HG12 2 79 ILE HA . . 5.500 3.819 2.692 4.307 . 0 0 "[ . 1 . 2]" 1
334 1 83 ILE HG12 2 79 ILE HB . . 5.500 5.030 4.138 5.525 0.025 16 0 "[ . 1 . 2]" 1
335 1 83 ILE HG12 2 80 ARG H . . 5.200 4.782 3.498 5.231 0.031 6 0 "[ . 1 . 2]" 1
336 1 83 ILE HG13 2 79 ILE HA . . 5.500 2.996 2.344 3.595 . 0 0 "[ . 1 . 2]" 1
337 1 83 ILE HG13 2 79 ILE HB . . 5.500 4.967 4.253 5.530 0.030 17 0 "[ . 1 . 2]" 1
338 1 83 ILE HG13 2 80 ARG H . . 5.500 3.446 3.026 3.787 . 0 0 "[ . 1 . 2]" 1
339 1 83 ILE MG 1 84 SER H . . 4.470 2.521 1.936 2.991 . 0 0 "[ . 1 . 2]" 1
340 1 83 ILE MG 2 79 ILE H . . 5.030 4.885 4.522 5.085 0.055 17 0 "[ . 1 . 2]" 1
341 1 83 ILE MG 2 79 ILE HA . . 5.500 3.353 3.020 3.594 . 0 0 "[ . 1 . 2]" 1
342 1 83 ILE MG 2 79 ILE HB . . 5.500 4.680 4.337 5.012 . 0 0 "[ . 1 . 2]" 1
343 1 83 ILE MG 2 80 ARG H . . 5.500 4.856 4.593 5.139 . 0 0 "[ . 1 . 2]" 1
344 1 84 SER H 1 85 GLY H . . 5.150 4.396 4.186 4.499 . 0 0 "[ . 1 . 2]" 1
345 1 84 SER H 2 78 SER HA . . 5.500 4.919 4.735 5.036 . 0 0 "[ . 1 . 2]" 1
346 1 84 SER H 2 79 ILE HA . . 4.350 3.860 3.630 4.046 . 0 0 "[ . 1 . 2]" 1
347 1 84 SER H 2 79 ILE MD . . 5.500 5.456 5.136 5.735 0.235 19 0 "[ . 1 . 2]" 1
348 1 84 SER H 2 79 ILE HG12 . . 4.540 4.283 3.831 4.949 0.409 19 0 "[ . 1 . 2]" 1
349 1 84 SER H 2 79 ILE HG13 . . 5.500 4.705 4.076 5.033 . 0 0 "[ . 1 . 2]" 1
350 1 84 SER HA 1 85 GLY HA3 . . 5.130 4.331 4.317 4.381 . 0 0 "[ . 1 . 2]" 1
351 1 85 GLY HA2 2 77 GLN HA . . 5.460 2.893 2.351 3.337 . 0 0 "[ . 1 . 2]" 1
352 1 85 GLY HA3 2 77 GLN HA . . 5.500 2.695 1.911 3.736 . 0 0 "[ . 1 . 2]" 1
353 1 86 SER H 1 87 ALA H . . 4.730 4.526 4.455 4.568 . 0 0 "[ . 1 . 2]" 1
354 1 86 SER HA 1 87 ALA MB . . 5.310 4.330 4.285 4.372 . 0 0 "[ . 1 . 2]" 1
355 1 86 SER HA 1 88 GLU H . . 4.670 4.416 4.184 4.669 . 0 0 "[ . 1 . 2]" 1
356 1 86 SER QB 1 87 ALA H . . 4.270 2.114 1.934 2.376 . 0 0 "[ . 1 . 2]" 1
357 1 86 SER QB 1 89 ASN H . . 5.000 3.882 3.424 4.527 . 0 0 "[ . 1 . 2]" 1
358 1 87 ALA H 1 88 GLU H . . 4.520 2.805 2.726 2.882 . 0 0 "[ . 1 . 2]" 1
359 1 87 ALA HA 1 89 ASN H . . 4.450 3.656 3.393 3.921 . 0 0 "[ . 1 . 2]" 1
360 1 87 ALA HA 1 90 LEU QD . . 4.960 3.620 2.598 4.633 . 0 0 "[ . 1 . 2]" 1
361 1 87 ALA MB 1 88 GLU H . . 5.070 2.751 2.478 2.971 . 0 0 "[ . 1 . 2]" 1
362 1 87 ALA MB 1 88 GLU HB2 . . 5.350 4.444 4.006 4.916 . 0 0 "[ . 1 . 2]" 1
363 1 87 ALA MB 1 89 ASN H . . 5.500 4.246 4.160 4.317 . 0 0 "[ . 1 . 2]" 1
364 1 88 GLU HB2 1 89 ASN H . . 4.280 3.578 3.038 4.228 . 0 0 "[ . 1 . 2]" 1
365 1 88 GLU HB3 1 89 ASN H . . 4.530 3.493 2.925 4.313 . 0 0 "[ . 1 . 2]" 1
366 1 88 GLU HB3 1 89 ASN HA . . 4.950 4.305 3.982 4.699 . 0 0 "[ . 1 . 2]" 1
367 1 88 GLU HB3 1 89 ASN QB . . 4.730 4.598 4.034 5.485 0.755 16 2 "[ . 1- .+ 2]" 1
368 1 89 ASN H 1 90 LEU H . . 4.350 2.446 2.222 2.833 . 0 0 "[ . 1 . 2]" 1
369 1 89 ASN H 1 90 LEU HB3 . . 5.500 4.826 4.152 5.407 . 0 0 "[ . 1 . 2]" 1
370 1 89 ASN H 1 91 ALA H . . 5.500 4.489 3.735 4.764 . 0 0 "[ . 1 . 2]" 1
371 1 89 ASN HA 1 91 ALA H . . 4.310 4.237 3.812 4.431 0.121 12 0 "[ . 1 . 2]" 1
372 1 89 ASN HA 1 91 ALA MB . . 5.330 5.006 4.694 5.317 . 0 0 "[ . 1 . 2]" 1
373 1 89 ASN HA 1 92 THR H . . 5.020 3.126 2.840 3.513 . 0 0 "[ . 1 . 2]" 1
374 1 89 ASN HA 1 92 THR HB . . 4.760 2.519 2.025 4.177 . 0 0 "[ . 1 . 2]" 1
375 1 90 LEU H 1 90 LEU QD . . 4.540 3.378 2.013 3.749 . 0 0 "[ . 1 . 2]" 1
376 1 90 LEU H 1 91 ALA H . . 4.160 2.851 2.679 3.017 . 0 0 "[ . 1 . 2]" 1
377 1 90 LEU H 1 91 ALA MB . . 4.660 4.491 4.303 4.591 . 0 0 "[ . 1 . 2]" 1
378 1 90 LEU HB2 1 91 ALA H . . 4.250 3.720 3.413 4.217 . 0 0 "[ . 1 . 2]" 1
379 1 90 LEU HB3 1 91 ALA H . . 4.290 2.710 2.224 3.762 . 0 0 "[ . 1 . 2]" 1
380 1 90 LEU HB3 1 91 ALA HA . . 5.500 4.508 3.966 5.607 0.107 11 0 "[ . 1 . 2]" 1
381 1 90 LEU QD 1 91 ALA H . . 5.050 3.039 1.721 3.786 . 0 0 "[ . 1 . 2]" 1
382 1 90 LEU QD 1 94 LYS QG . . 4.490 3.435 2.952 4.176 . 0 0 "[ . 1 . 2]" 1
383 1 91 ALA H 1 91 ALA MB . . 3.640 2.116 2.035 2.272 . 0 0 "[ . 1 . 2]" 1
384 1 91 ALA H 1 92 THR H . . 3.850 2.462 2.341 2.669 . 0 0 "[ . 1 . 2]" 1
385 1 91 ALA HA 1 94 LYS H . . 5.380 3.721 3.663 3.811 . 0 0 "[ . 1 . 2]" 1
386 1 91 ALA HA 1 94 LYS QB . . 4.990 3.716 3.513 3.914 . 0 0 "[ . 1 . 2]" 1
387 1 91 ALA HA 1 94 LYS QG . . 5.110 2.811 2.486 3.338 . 0 0 "[ . 1 . 2]" 1
388 1 91 ALA MB 1 92 THR H . . 4.020 2.754 2.455 2.976 . 0 0 "[ . 1 . 2]" 1
389 1 92 THR H 1 92 THR HB . . 3.890 2.713 2.430 3.607 . 0 0 "[ . 1 . 2]" 1
390 1 92 THR H 1 92 THR MG . . 4.120 3.596 2.152 3.785 . 0 0 "[ . 1 . 2]" 1
391 1 92 THR H 1 93 LEU H . . 4.400 2.562 2.349 2.755 . 0 0 "[ . 1 . 2]" 1
392 1 92 THR HA 1 95 ALA H . . 4.750 3.454 3.299 3.592 . 0 0 "[ . 1 . 2]" 1
393 1 92 THR HA 1 95 ALA MB . . 4.540 2.755 2.491 2.991 . 0 0 "[ . 1 . 2]" 1
394 1 92 THR HA 1 96 GLU H . . 5.360 3.931 3.502 4.273 . 0 0 "[ . 1 . 2]" 1
395 1 92 THR HA 1 96 GLU QG . . 5.500 4.056 3.514 4.795 . 0 0 "[ . 1 . 2]" 1
396 1 92 THR HB 1 93 LEU H . . 5.290 3.009 2.547 3.913 . 0 0 "[ . 1 . 2]" 1
397 1 92 THR MG 1 95 ALA H . . 4.800 4.533 4.358 5.231 0.431 4 0 "[ . 1 . 2]" 1
398 1 93 LEU H 1 94 LYS QG . . 5.090 4.106 3.830 4.371 . 0 0 "[ . 1 . 2]" 1
399 1 93 LEU H 1 95 ALA MB . . 5.070 4.883 4.593 5.066 . 0 0 "[ . 1 . 2]" 1
400 1 93 LEU H 1 96 GLU H . . 4.440 4.512 4.460 4.607 0.167 4 0 "[ . 1 . 2]" 1
401 1 93 LEU H 1 96 GLU QG . . 4.940 4.079 3.793 4.535 . 0 0 "[ . 1 . 2]" 1
402 1 93 LEU HA 1 94 LYS HA . . 4.910 4.813 4.737 4.871 . 0 0 "[ . 1 . 2]" 1
403 1 93 LEU HA 1 95 ALA H . . 4.360 4.339 4.147 4.443 0.083 1 0 "[ . 1 . 2]" 1
404 1 93 LEU HA 1 95 ALA MB . . 5.500 5.140 5.034 5.224 . 0 0 "[ . 1 . 2]" 1
405 1 93 LEU HA 1 96 GLU H . . 4.920 3.373 3.163 3.664 . 0 0 "[ . 1 . 2]" 1
406 1 93 LEU HA 1 96 GLU QG . . 4.800 2.514 1.871 3.417 . 0 0 "[ . 1 . 2]" 1
407 1 93 LEU HA 1 97 TRP H . . 4.900 3.886 3.589 4.162 . 0 0 "[ . 1 . 2]" 1
408 1 93 LEU HA 1 97 TRP HA . . 5.500 5.458 5.138 5.637 0.137 13 0 "[ . 1 . 2]" 1
409 1 93 LEU HB3 1 94 LYS HA . . 5.270 4.196 3.850 4.474 . 0 0 "[ . 1 . 2]" 1
410 1 93 LEU HB3 1 94 LYS QG . . 4.340 3.194 2.955 3.391 . 0 0 "[ . 1 . 2]" 1
411 1 93 LEU HB3 1 96 GLU QG . . 5.280 5.056 4.347 5.933 0.653 1 1 "[+ . 1 . 2]" 1
412 1 93 LEU QD 1 94 LYS H . . 4.580 2.808 2.297 3.442 . 0 0 "[ . 1 . 2]" 1
413 1 93 LEU QD 1 94 LYS HA . . 5.010 2.688 2.297 3.215 . 0 0 "[ . 1 . 2]" 1
414 1 93 LEU QD 1 94 LYS QB . . 4.720 3.916 3.415 4.563 . 0 0 "[ . 1 . 2]" 1
415 1 93 LEU QD 1 94 LYS QG . . 4.760 2.659 2.053 3.697 . 0 0 "[ . 1 . 2]" 1
416 1 93 LEU QD 1 96 GLU H . . 5.260 4.219 3.582 4.967 . 0 0 "[ . 1 . 2]" 1
417 1 93 LEU QD 1 97 TRP HA . . 4.510 3.847 3.372 4.449 . 0 0 "[ . 1 . 2]" 1
418 1 94 LYS H 1 94 LYS QG . . 4.520 2.076 1.921 2.392 . 0 0 "[ . 1 . 2]" 1
419 1 94 LYS H 1 95 ALA H . . 4.600 2.738 2.512 2.907 . 0 0 "[ . 1 . 2]" 1
420 1 94 LYS HA 1 96 GLU H . . 5.500 4.494 4.099 4.957 . 0 0 "[ . 1 . 2]" 1
421 1 94 LYS HA 1 97 TRP H . . 3.900 3.689 3.559 3.845 . 0 0 "[ . 1 . 2]" 1
422 1 94 LYS HA 1 97 TRP HA . . 5.490 5.485 5.366 5.627 0.137 13 0 "[ . 1 . 2]" 1
423 1 94 LYS QB 1 95 ALA HA . . 4.850 3.902 3.861 3.945 . 0 0 "[ . 1 . 2]" 1
424 1 95 ALA H 1 96 GLU H . . 3.960 2.468 2.403 2.574 . 0 0 "[ . 1 . 2]" 1
425 1 95 ALA H 1 96 GLU HA . . 5.260 5.106 5.051 5.199 . 0 0 "[ . 1 . 2]" 1
426 1 95 ALA H 1 96 GLU QG . . 4.500 4.136 3.820 4.477 . 0 0 "[ . 1 . 2]" 1
427 1 95 ALA HA 1 96 GLU QG . . 5.250 5.222 5.018 5.382 0.132 5 0 "[ . 1 . 2]" 1
428 1 95 ALA HA 1 97 TRP H . . 4.400 4.154 3.776 4.417 0.017 12 0 "[ . 1 . 2]" 1
429 1 95 ALA HA 1 98 GLU H . . 4.490 3.855 3.712 3.977 . 0 0 "[ . 1 . 2]" 1
430 1 95 ALA HA 1 98 GLU HB2 . . 4.850 3.759 3.545 3.864 . 0 0 "[ . 1 . 2]" 1
431 1 95 ALA HA 1 98 GLU HB3 . . 5.330 5.350 5.116 5.477 0.147 1 0 "[ . 1 . 2]" 1
432 1 95 ALA HA 1 98 GLU QG . . 4.810 4.745 3.627 4.884 0.074 6 0 "[ . 1 . 2]" 1
433 1 95 ALA HA 1 99 THR H . . 5.500 4.578 4.309 4.788 . 0 0 "[ . 1 . 2]" 1
434 1 95 ALA MB 1 96 GLU H . . 4.380 2.733 2.322 3.017 . 0 0 "[ . 1 . 2]" 1
435 1 95 ALA MB 1 96 GLU HA . . 5.210 3.810 3.687 3.935 . 0 0 "[ . 1 . 2]" 1
436 1 96 GLU H 1 96 GLU QG . . 4.480 2.510 2.218 2.793 . 0 0 "[ . 1 . 2]" 1
437 1 96 GLU HA 1 97 TRP HA . . 5.500 4.853 4.784 4.900 . 0 0 "[ . 1 . 2]" 1
438 1 96 GLU HA 1 98 GLU H . . 5.500 4.323 3.842 4.758 . 0 0 "[ . 1 . 2]" 1
439 1 96 GLU HA 1 99 THR H . . 5.460 3.183 3.011 3.489 . 0 0 "[ . 1 . 2]" 1
440 1 96 GLU HA 1 99 THR MG . . 5.500 3.067 1.853 3.709 . 0 0 "[ . 1 . 2]" 1
441 1 96 GLU HA 1 100 HIS H . . 5.500 3.387 3.087 3.774 . 0 0 "[ . 1 . 2]" 1
442 1 96 GLU HB2 1 97 TRP H . . 4.540 3.387 2.742 4.202 . 0 0 "[ . 1 . 2]" 1
443 1 96 GLU QG 1 97 TRP H . . 4.360 3.407 1.992 4.352 . 0 0 "[ . 1 . 2]" 1
444 1 97 TRP H 1 98 GLU H . . 4.350 2.807 2.624 3.025 . 0 0 "[ . 1 . 2]" 1
445 1 97 TRP HA 1 97 TRP HE3 . . 5.500 3.275 1.975 4.904 . 0 0 "[ . 1 . 2]" 1
446 1 97 TRP HB2 1 97 TRP HE1 . . 5.020 4.902 4.750 5.273 0.253 1 0 "[ . 1 . 2]" 1
447 1 97 TRP HB3 1 98 GLU H . . 4.830 2.575 2.278 3.023 . 0 0 "[ . 1 . 2]" 1
448 1 97 TRP HE1 2 101 LYS HA . . 5.500 3.791 2.189 5.251 . 0 0 "[ . 1 . 2]" 1
449 1 97 TRP HE1 2 104 VAL HB . . 3.950 2.953 1.957 4.004 0.054 11 0 "[ . 1 . 2]" 1
450 1 97 TRP HE1 2 104 VAL MG1 . . 4.920 2.505 1.828 3.518 . 0 0 "[ . 1 . 2]" 1
451 1 97 TRP HE1 2 105 ASP H . . 4.540 4.349 3.630 4.760 0.220 4 0 "[ . 1 . 2]" 1
452 1 97 TRP HE1 2 105 ASP HA . . 4.190 4.210 4.051 4.411 0.221 6 0 "[ . 1 . 2]" 1
453 1 97 TRP HZ2 2 104 VAL HB . . 5.500 3.068 1.972 4.824 . 0 0 "[ . 1 . 2]" 1
454 1 97 TRP HZ2 2 105 ASP H . . 5.500 4.449 3.195 5.539 0.039 6 0 "[ . 1 . 2]" 1
455 1 98 GLU HB2 1 99 THR H . . 5.500 2.990 2.215 3.315 . 0 0 "[ . 1 . 2]" 1
456 1 98 GLU HB3 1 99 THR H . . 5.500 3.501 3.112 3.895 . 0 0 "[ . 1 . 2]" 1
457 1 99 THR HA 1 102 ARG H . . 4.880 3.353 3.075 3.742 . 0 0 "[ . 1 . 2]" 1
458 1 99 THR HA 1 127 SER H . . 4.280 2.547 1.921 4.354 0.074 8 0 "[ . 1 . 2]" 1
459 1 99 THR MG 1 101 LYS H . . 5.040 4.731 4.267 5.182 0.142 19 0 "[ . 1 . 2]" 1
460 1 99 THR MG 1 102 ARG QB . . 5.500 3.924 3.123 4.909 . 0 0 "[ . 1 . 2]" 1
461 1 99 THR MG 1 126 SER HA . . 4.780 2.919 1.937 4.709 . 0 0 "[ . 1 . 2]" 1
462 1 99 THR MG 1 126 SER QB . . 5.500 3.046 1.933 5.573 0.073 8 0 "[ . 1 . 2]" 1
463 1 99 THR MG 1 127 SER H . . 5.290 2.708 1.913 4.104 . 0 0 "[ . 1 . 2]" 1
464 1 99 THR MG 1 127 SER HA . . 5.020 4.666 3.834 5.051 0.031 5 0 "[ . 1 . 2]" 1
465 1 99 THR MG 1 127 SER QB . . 5.350 3.175 1.803 4.102 . 0 0 "[ . 1 . 2]" 1
466 1 100 HIS HA 1 103 ASN HB2 . . 5.500 4.998 3.680 5.379 . 0 0 "[ . 1 . 2]" 1
467 1 100 HIS HA 1 104 VAL H . . 5.500 4.277 3.688 4.533 . 0 0 "[ . 1 . 2]" 1
468 1 101 LYS H 1 102 ARG H . . 4.130 2.437 2.318 2.698 . 0 0 "[ . 1 . 2]" 1
469 1 101 LYS H 1 102 ARG QB . . 4.490 4.242 4.107 4.652 0.162 16 0 "[ . 1 . 2]" 1
470 1 101 LYS HA 1 104 VAL H . . 4.330 3.632 3.243 3.907 . 0 0 "[ . 1 . 2]" 1
471 1 101 LYS HA 1 104 VAL HB . . 4.500 2.833 2.423 3.376 . 0 0 "[ . 1 . 2]" 1
472 1 101 LYS HA 1 104 VAL MG2 . . 5.070 3.176 2.287 4.071 . 0 0 "[ . 1 . 2]" 1
473 1 101 LYS HA 1 105 ASP H . . 4.400 4.230 3.910 4.451 0.051 20 0 "[ . 1 . 2]" 1
474 1 101 LYS HA 2 97 TRP HE1 . . 5.500 3.666 2.429 5.276 . 0 0 "[ . 1 . 2]" 1
475 1 102 ARG H 1 102 ARG QB . . 3.900 2.270 2.210 2.639 . 0 0 "[ . 1 . 2]" 1
476 1 102 ARG H 1 102 ARG HD3 . . 4.930 5.004 3.487 5.906 0.976 19 5 "[ - * ** . +2]" 1
477 1 102 ARG H 1 104 VAL H . . 4.290 3.892 3.765 4.091 . 0 0 "[ . 1 . 2]" 1
478 1 102 ARG H 1 104 VAL MG2 . . 5.500 4.872 4.523 5.350 . 0 0 "[ . 1 . 2]" 1
479 1 102 ARG H 1 105 ASP H . . 5.020 4.629 4.440 4.920 . 0 0 "[ . 1 . 2]" 1
480 1 102 ARG HA 1 104 VAL H . . 4.920 4.351 4.172 4.603 . 0 0 "[ . 1 . 2]" 1
481 1 102 ARG HA 1 105 ASP H . . 4.450 3.467 3.240 3.680 . 0 0 "[ . 1 . 2]" 1
482 1 102 ARG HA 1 105 ASP QB . . 4.910 2.648 2.116 3.237 . 0 0 "[ . 1 . 2]" 1
483 1 102 ARG HA 1 106 THR H . . 5.500 4.373 3.807 4.594 . 0 0 "[ . 1 . 2]" 1
484 1 102 ARG QB 1 103 ASN H . . 4.010 2.603 2.257 3.400 . 0 0 "[ . 1 . 2]" 1
485 1 102 ARG QB 1 103 ASN HB2 . . 5.490 5.366 4.551 6.040 0.550 6 2 "[ .+ - 1 . 2]" 1
486 1 102 ARG QB 1 105 ASP QB . . 5.500 4.399 3.806 4.897 . 0 0 "[ . 1 . 2]" 1
487 1 102 ARG QB 1 125 VAL H . . 5.170 4.876 4.262 5.234 0.064 6 0 "[ . 1 . 2]" 1
488 1 102 ARG QB 1 126 SER HA . . 4.980 3.772 1.996 5.061 0.081 16 0 "[ . 1 . 2]" 1
489 1 102 ARG HD3 1 125 VAL QG . . 5.500 3.248 2.021 4.979 . 0 0 "[ . 1 . 2]" 1
490 1 102 ARG QG 1 103 ASN H . . 4.300 3.094 1.830 3.765 . 0 0 "[ . 1 . 2]" 1
491 1 102 ARG QG 1 103 ASN HA . . 4.910 3.492 3.095 4.113 . 0 0 "[ . 1 . 2]" 1
492 1 102 ARG QG 1 105 ASP QB . . 5.500 4.279 3.530 4.951 . 0 0 "[ . 1 . 2]" 1
493 1 102 ARG QG 1 124 ILE MD . . 5.500 3.732 1.874 5.310 . 0 0 "[ . 1 . 2]" 1
494 1 102 ARG QG 1 125 VAL H . . 4.350 3.354 2.824 3.923 . 0 0 "[ . 1 . 2]" 1
495 1 102 ARG QG 1 125 VAL HA . . 5.200 4.877 4.129 5.178 . 0 0 "[ . 1 . 2]" 1
496 1 102 ARG QG 1 126 SER HA . . 5.020 3.560 2.321 4.275 . 0 0 "[ . 1 . 2]" 1
497 1 102 ARG QG 1 127 SER HA . . 5.500 4.062 3.289 4.899 . 0 0 "[ . 1 . 2]" 1
498 1 103 ASN H 1 104 VAL HB . . 5.500 4.880 4.654 5.075 . 0 0 "[ . 1 . 2]" 1
499 1 103 ASN H 1 104 VAL MG2 . . 5.340 4.176 3.988 4.419 . 0 0 "[ . 1 . 2]" 1
500 1 103 ASN H 1 105 ASP H . . 4.430 4.065 3.781 4.441 0.011 11 0 "[ . 1 . 2]" 1
501 1 103 ASN H 1 124 ILE MD . . 4.890 4.142 3.123 4.945 0.055 1 0 "[ . 1 . 2]" 1
502 1 103 ASN H 1 124 ILE QG . . 5.500 4.537 3.736 5.479 . 0 0 "[ . 1 . 2]" 1
503 1 103 ASN H 1 124 ILE MG . . 5.500 4.749 3.273 5.876 0.376 6 0 "[ . 1 . 2]" 1
504 1 103 ASN H 1 125 VAL QG . . 5.220 5.145 4.562 5.386 0.166 4 0 "[ . 1 . 2]" 1
505 1 103 ASN HA 1 104 VAL HA . . 4.830 4.754 4.680 4.815 . 0 0 "[ . 1 . 2]" 1
506 1 103 ASN HA 1 105 ASP H . . 5.150 4.244 4.014 4.694 . 0 0 "[ . 1 . 2]" 1
507 1 103 ASN HA 1 105 ASP QB . . 5.350 4.977 4.782 5.193 . 0 0 "[ . 1 . 2]" 1
508 1 103 ASN HA 1 106 THR H . . 4.100 3.608 3.267 3.786 . 0 0 "[ . 1 . 2]" 1
509 1 103 ASN HA 1 106 THR HB . . 4.840 3.240 2.709 3.678 . 0 0 "[ . 1 . 2]" 1
510 1 103 ASN HA 1 106 THR HG1 . . 5.170 4.351 3.429 5.195 0.025 12 0 "[ . 1 . 2]" 1
511 1 103 ASN HA 1 107 LEU H . . 5.120 4.271 3.895 4.469 . 0 0 "[ . 1 . 2]" 1
512 1 103 ASN HA 1 124 ILE HA . . 4.620 4.234 3.519 4.821 0.201 18 0 "[ . 1 . 2]" 1
513 1 103 ASN HA 1 124 ILE HB . . 5.100 4.432 3.828 5.112 0.012 5 0 "[ . 1 . 2]" 1
514 1 103 ASN HA 1 124 ILE MD . . 5.220 2.206 1.848 3.526 . 0 0 "[ . 1 . 2]" 1
515 1 103 ASN HA 1 125 VAL H . . 4.410 3.962 3.434 4.435 0.025 4 0 "[ . 1 . 2]" 1
516 1 103 ASN HB2 1 104 VAL H . . 4.430 4.005 3.564 4.244 . 0 0 "[ . 1 . 2]" 1
517 1 103 ASN HB2 1 104 VAL MG2 . . 5.500 4.507 4.131 4.923 . 0 0 "[ . 1 . 2]" 1
518 1 103 ASN HB2 1 124 ILE MD . . 5.500 2.752 1.894 3.581 . 0 0 "[ . 1 . 2]" 1
519 1 103 ASN HB2 1 125 VAL H . . 5.150 5.109 4.156 5.498 0.348 8 0 "[ . 1 . 2]" 1
520 1 103 ASN HB3 1 104 VAL H . . 4.750 3.635 2.801 3.843 . 0 0 "[ . 1 . 2]" 1
521 1 103 ASN HB3 1 125 VAL H . . 5.320 5.169 4.657 5.721 0.401 16 0 "[ . 1 . 2]" 1
522 1 104 VAL H 1 104 VAL HB . . 3.770 2.482 2.437 2.544 . 0 0 "[ . 1 . 2]" 1
523 1 104 VAL H 1 104 VAL MG1 . . 4.710 3.761 3.753 3.774 . 0 0 "[ . 1 . 2]" 1
524 1 104 VAL H 1 104 VAL MG2 . . 4.150 2.265 2.087 2.477 . 0 0 "[ . 1 . 2]" 1
525 1 104 VAL H 1 105 ASP H . . 3.810 2.537 2.346 2.713 . 0 0 "[ . 1 . 2]" 1
526 1 104 VAL H 1 105 ASP HA . . 5.470 5.152 4.986 5.306 . 0 0 "[ . 1 . 2]" 1
527 1 104 VAL HA 1 105 ASP HA . . 5.460 4.772 4.705 4.861 . 0 0 "[ . 1 . 2]" 1
528 1 104 VAL HA 1 107 LEU H . . 4.760 3.394 3.184 3.606 . 0 0 "[ . 1 . 2]" 1
529 1 104 VAL HA 1 107 LEU HA . . 5.500 5.266 5.023 5.486 . 0 0 "[ . 1 . 2]" 1
530 1 104 VAL HA 1 107 LEU HB2 . . 4.650 2.556 2.168 3.201 . 0 0 "[ . 1 . 2]" 1
531 1 104 VAL HA 1 107 LEU HB3 . . 4.890 3.459 2.951 3.804 . 0 0 "[ . 1 . 2]" 1
532 1 104 VAL HB 1 105 ASP H . . 3.590 2.839 2.444 3.036 . 0 0 "[ . 1 . 2]" 1
533 1 104 VAL HB 1 105 ASP HA . . 4.740 4.329 4.228 4.422 . 0 0 "[ . 1 . 2]" 1
534 1 104 VAL HB 1 105 ASP QB . . 5.500 4.299 4.019 4.623 . 0 0 "[ . 1 . 2]" 1
535 1 104 VAL HB 2 97 TRP HE1 . . 3.950 2.996 1.944 4.014 0.064 11 0 "[ . 1 . 2]" 1
536 1 104 VAL HB 2 97 TRP HZ2 . . 5.500 3.091 1.992 5.118 . 0 0 "[ . 1 . 2]" 1
537 1 104 VAL MG1 1 105 ASP H . . 4.930 3.571 3.237 3.812 . 0 0 "[ . 1 . 2]" 1
538 1 104 VAL MG1 1 105 ASP HA . . 5.500 3.525 3.289 3.793 . 0 0 "[ . 1 . 2]" 1
539 1 104 VAL MG1 2 97 TRP HE1 . . 4.920 2.618 1.850 3.502 . 0 0 "[ . 1 . 2]" 1
540 1 104 VAL MG2 1 105 ASP H . . 4.480 3.938 3.810 4.028 . 0 0 "[ . 1 . 2]" 1
541 1 104 VAL MG2 1 107 LEU H . . 5.500 5.143 4.972 5.243 . 0 0 "[ . 1 . 2]" 1
542 1 105 ASP H 1 106 THR H . . 4.190 2.609 2.444 2.888 . 0 0 "[ . 1 . 2]" 1
543 1 105 ASP H 1 107 LEU H . . 5.420 3.899 3.687 4.191 . 0 0 "[ . 1 . 2]" 1
544 1 105 ASP H 2 97 TRP HE1 . . 4.540 4.316 3.573 4.718 0.178 15 0 "[ . 1 . 2]" 1
545 1 105 ASP H 2 97 TRP HZ2 . . 5.500 4.592 3.217 5.510 0.010 6 0 "[ . 1 . 2]" 1
546 1 105 ASP HA 1 109 ALA H . . 4.950 4.379 3.997 4.711 . 0 0 "[ . 1 . 2]" 1
547 1 105 ASP HA 1 109 ALA MB . . 5.500 4.358 3.944 4.940 . 0 0 "[ . 1 . 2]" 1
548 1 105 ASP HA 2 97 TRP HE1 . . 4.190 4.210 3.868 4.328 0.138 13 0 "[ . 1 . 2]" 1
549 1 105 ASP QB 1 106 THR H . . 4.650 2.636 2.375 2.939 . 0 0 "[ . 1 . 2]" 1
550 1 106 THR H 1 106 THR HG1 . . 4.300 3.045 2.003 3.789 . 0 0 "[ . 1 . 2]" 1
551 1 106 THR H 1 106 THR MG . . 4.470 3.765 3.750 3.778 . 0 0 "[ . 1 . 2]" 1
552 1 106 THR H 1 107 LEU H . . 4.120 2.478 2.330 2.708 . 0 0 "[ . 1 . 2]" 1
553 1 106 THR H 1 108 PHE H . . 5.410 4.000 3.720 4.423 . 0 0 "[ . 1 . 2]" 1
554 1 106 THR HA 1 109 ALA MB . . 5.500 2.436 2.026 2.857 . 0 0 "[ . 1 . 2]" 1
555 1 106 THR HB 1 107 LEU H . . 4.420 2.875 2.556 3.074 . 0 0 "[ . 1 . 2]" 1
556 1 106 THR HB 1 124 ILE HA . . 4.730 3.889 3.249 4.447 . 0 0 "[ . 1 . 2]" 1
557 1 106 THR MG 1 107 LEU H . . 4.840 3.665 3.308 3.973 . 0 0 "[ . 1 . 2]" 1
558 1 106 THR MG 1 122 ALA HA . . 4.720 4.291 3.436 4.764 0.044 19 0 "[ . 1 . 2]" 1
559 1 106 THR MG 1 122 ALA MB . . 5.500 4.497 3.756 5.510 0.010 20 0 "[ . 1 . 2]" 1
560 1 106 THR MG 1 123 ALA H . . 4.250 4.133 3.421 4.405 0.155 4 0 "[ . 1 . 2]" 1
561 1 106 THR MG 1 123 ALA MB . . 5.500 4.604 3.459 5.128 . 0 0 "[ . 1 . 2]" 1
562 1 106 THR MG 1 124 ILE HA . . 5.500 3.293 2.669 3.639 . 0 0 "[ . 1 . 2]" 1
563 1 106 THR MG 1 124 ILE HB . . 5.500 4.609 3.575 5.563 0.063 12 0 "[ . 1 . 2]" 1
564 1 106 THR MG 1 124 ILE MD . . 5.500 3.154 2.023 5.291 . 0 0 "[ . 1 . 2]" 1
565 1 106 THR MG 1 125 VAL H . . 5.390 4.560 3.558 5.039 . 0 0 "[ . 1 . 2]" 1
566 1 107 LEU H 1 107 LEU HB2 . . 3.810 2.104 2.042 2.243 . 0 0 "[ . 1 . 2]" 1
567 1 107 LEU H 1 107 LEU MD1 . . 5.180 4.134 3.438 4.299 . 0 0 "[ . 1 . 2]" 1
568 1 107 LEU H 1 107 LEU HG . . 4.940 4.246 3.467 4.560 . 0 0 "[ . 1 . 2]" 1
569 1 107 LEU H 1 108 PHE H . . 4.120 2.533 2.378 2.704 . 0 0 "[ . 1 . 2]" 1
570 1 107 LEU HA 1 107 LEU MD1 . . 4.460 2.466 2.082 3.734 . 0 0 "[ . 1 . 2]" 1
571 1 107 LEU HA 1 109 ALA H . . 5.450 4.279 4.052 4.541 . 0 0 "[ . 1 . 2]" 1
572 1 107 LEU HA 1 110 SER H . . 5.210 3.735 3.413 4.040 . 0 0 "[ . 1 . 2]" 1
573 1 107 LEU HA 1 111 GLY H . . 4.790 3.248 2.823 4.133 . 0 0 "[ . 1 . 2]" 1
574 1 107 LEU HB2 1 108 PHE H . . 4.920 3.408 3.014 3.726 . 0 0 "[ . 1 . 2]" 1
575 1 107 LEU HB2 1 108 PHE HB2 . . 5.500 4.979 4.552 5.432 . 0 0 "[ . 1 . 2]" 1
576 1 107 LEU HB3 1 108 PHE H . . 4.400 3.272 2.799 3.830 . 0 0 "[ . 1 . 2]" 1
577 1 107 LEU HB3 1 108 PHE HA . . 4.450 4.103 3.955 4.303 . 0 0 "[ . 1 . 2]" 1
578 1 107 LEU MD1 1 108 PHE HA . . 5.320 4.568 3.403 6.089 0.769 19 2 "[ - 1 . +2]" 1
579 1 107 LEU MD1 1 122 ALA MB . . 5.500 4.354 3.223 5.527 0.027 20 0 "[ . 1 . 2]" 1
580 1 107 LEU MD2 1 122 ALA MB . . 5.500 3.638 2.350 5.437 . 0 0 "[ . 1 . 2]" 1
581 1 108 PHE H 1 109 ALA H . . 4.030 2.182 2.006 2.394 . 0 0 "[ . 1 . 2]" 1
582 1 108 PHE H 1 109 ALA HA . . 5.500 4.875 4.735 5.025 . 0 0 "[ . 1 . 2]" 1
583 1 108 PHE H 1 109 ALA MB . . 5.180 3.931 3.797 4.096 . 0 0 "[ . 1 . 2]" 1
584 1 108 PHE H 1 110 SER H . . 4.800 3.693 3.288 3.975 . 0 0 "[ . 1 . 2]" 1
585 1 108 PHE H 1 111 GLY H . . 4.560 4.238 3.780 4.568 0.008 15 0 "[ . 1 . 2]" 1
586 1 108 PHE HA 1 109 ALA H . . 3.420 3.446 3.408 3.496 0.076 10 0 "[ . 1 . 2]" 1
587 1 108 PHE HA 1 109 ALA HA . . 4.740 4.662 4.642 4.717 . 0 0 "[ . 1 . 2]" 1
588 1 108 PHE HA 1 109 ALA MB . . 5.500 4.964 4.949 4.992 . 0 0 "[ . 1 . 2]" 1
589 1 108 PHE HA 1 110 SER H . . 4.240 4.195 3.802 4.318 0.078 20 0 "[ . 1 . 2]" 1
590 1 108 PHE HB2 1 109 ALA H . . 4.840 3.773 3.110 4.268 . 0 0 "[ . 1 . 2]" 1
591 1 108 PHE HB2 1 110 SER H . . 5.500 5.556 5.163 5.874 0.374 14 0 "[ . 1 . 2]" 1
592 1 108 PHE HB3 1 109 ALA H . . 5.500 3.229 2.830 3.882 . 0 0 "[ . 1 . 2]" 1
593 1 108 PHE HB3 1 109 ALA MB . . 5.500 4.090 3.777 4.815 . 0 0 "[ . 1 . 2]" 1
594 1 109 ALA H 1 110 SER H . . 3.090 2.279 2.230 2.422 . 0 0 "[ . 1 . 2]" 1
595 1 109 ALA H 1 111 GLY H . . 4.330 3.699 3.584 3.871 . 0 0 "[ . 1 . 2]" 1
596 1 109 ALA HA 1 111 GLY H . . 4.940 4.802 4.471 4.908 . 0 0 "[ . 1 . 2]" 1
597 1 109 ALA MB 1 110 SER H . . 4.450 2.872 2.729 3.084 . 0 0 "[ . 1 . 2]" 1
598 1 109 ALA MB 1 110 SER HA . . 5.160 4.019 3.937 4.066 . 0 0 "[ . 1 . 2]" 1
599 1 109 ALA MB 1 111 GLY H . . 4.680 4.602 4.431 4.715 0.035 19 0 "[ . 1 . 2]" 1
600 1 110 SER H 1 111 GLY H . . 3.740 2.083 2.003 2.304 . 0 0 "[ . 1 . 2]" 1
601 1 110 SER QB 1 111 GLY H . . 4.300 2.764 2.644 3.521 . 0 0 "[ . 1 . 2]" 1
602 1 111 GLY H 1 112 ASN H . . 4.640 4.442 4.112 4.631 . 0 0 "[ . 1 . 2]" 1
603 1 112 ASN H 1 115 LEU QD . . 5.210 4.082 3.251 5.059 . 0 0 "[ . 1 . 2]" 1
604 1 112 ASN HA 1 113 ALA MB . . 5.000 3.970 3.914 4.013 . 0 0 "[ . 1 . 2]" 1
605 1 112 ASN HA 1 114 GLY H . . 4.710 3.517 3.453 3.676 . 0 0 "[ . 1 . 2]" 1
606 1 112 ASN HA 1 115 LEU H . . 4.970 4.952 4.767 5.104 0.134 13 0 "[ . 1 . 2]" 1
607 1 112 ASN HA 1 115 LEU QD . . 5.170 4.383 3.879 5.082 . 0 0 "[ . 1 . 2]" 1
608 1 113 ALA H 1 114 GLY H . . 4.580 2.518 2.456 2.680 . 0 0 "[ . 1 . 2]" 1
609 1 113 ALA MB 1 114 GLY H . . 4.980 3.012 2.860 3.100 . 0 0 "[ . 1 . 2]" 1
610 1 114 GLY H 1 115 LEU H . . 4.470 2.803 2.705 2.899 . 0 0 "[ . 1 . 2]" 1
611 1 114 GLY H 1 115 LEU QD . . 5.500 3.483 3.200 3.809 . 0 0 "[ . 1 . 2]" 1
612 1 114 GLY HA2 1 115 LEU HA . . 5.500 4.534 4.525 4.542 . 0 0 "[ . 1 . 2]" 1
613 1 114 GLY HA3 1 115 LEU HG . . 4.980 4.421 3.439 5.163 0.183 5 0 "[ . 1 . 2]" 1
614 1 115 LEU H 1 115 LEU QD . . 4.530 2.136 1.868 2.629 . 0 0 "[ . 1 . 2]" 1
615 1 115 LEU H 1 115 LEU HG . . 4.480 2.737 1.938 4.135 . 0 0 "[ . 1 . 2]" 1
616 1 115 LEU H 1 116 GLY H . . 4.630 2.012 1.890 2.210 . 0 0 "[ . 1 . 2]" 1
617 1 115 LEU H 1 116 GLY HA3 . . 4.290 4.710 4.642 4.808 0.518 1 2 "[+ . - 1 . 2]" 1
618 1 115 LEU H 1 117 PHE H . . 3.260 3.318 3.174 3.582 0.322 13 0 "[ . 1 . 2]" 1
619 1 115 LEU HA 1 115 LEU HG . . 4.210 3.432 2.769 3.824 . 0 0 "[ . 1 . 2]" 1
620 1 115 LEU QD 1 116 GLY H . . 5.500 3.501 3.205 3.955 . 0 0 "[ . 1 . 2]" 1
621 1 115 LEU QD 1 116 GLY HA2 . . 5.440 4.980 4.777 5.102 . 0 0 "[ . 1 . 2]" 1
622 1 115 LEU QD 1 117 PHE H . . 4.850 3.090 2.674 3.559 . 0 0 "[ . 1 . 2]" 1
623 1 116 GLY H 2 32 LEU QD . . 5.500 3.458 2.746 4.654 . 0 0 "[ . 1 . 2]" 1
624 1 116 GLY HA2 2 32 LEU QD . . 5.230 2.350 1.840 3.893 . 0 0 "[ . 1 . 2]" 1
625 1 118 LEU H 1 118 LEU HG . . 5.490 3.728 2.002 5.145 . 0 0 "[ . 1 . 2]" 1
626 1 119 ASP H 1 120 PRO QD . . 5.500 4.315 3.504 4.371 . 0 0 "[ . 1 . 2]" 1
627 1 119 ASP H 1 121 THR MG . . 5.500 4.777 3.816 5.723 0.223 13 0 "[ . 1 . 2]" 1
628 1 119 ASP HA 1 120 PRO QG . . 5.220 4.055 3.772 4.088 . 0 0 "[ . 1 . 2]" 1
629 1 119 ASP HB2 1 120 PRO QD . . 5.060 3.465 1.952 4.344 . 0 0 "[ . 1 . 2]" 1
630 1 119 ASP HB2 1 121 THR MG . . 5.500 3.132 2.252 4.586 . 0 0 "[ . 1 . 2]" 1
631 1 119 ASP HB2 1 122 ALA H . . 5.380 4.690 2.817 5.390 0.010 19 0 "[ . 1 . 2]" 1
632 1 119 ASP HB2 1 122 ALA MB . . 5.090 4.224 2.055 4.974 . 0 0 "[ . 1 . 2]" 1
633 1 119 ASP HB3 1 120 PRO QG . . 4.930 3.701 3.532 5.044 0.114 13 0 "[ . 1 . 2]" 1
634 1 119 ASP HB3 1 121 THR MG . . 4.980 2.490 2.231 3.540 . 0 0 "[ . 1 . 2]" 1
635 1 119 ASP HB3 1 122 ALA MB . . 5.500 4.661 2.264 5.761 0.261 20 0 "[ . 1 . 2]" 1
636 1 120 PRO HA 1 122 ALA H . . 4.380 3.678 3.399 4.455 0.075 20 0 "[ . 1 . 2]" 1
637 1 120 PRO QD 1 121 THR H . . 4.450 2.713 2.605 2.802 . 0 0 "[ . 1 . 2]" 1
638 1 120 PRO QD 1 122 ALA H . . 5.480 4.894 4.084 5.282 . 0 0 "[ . 1 . 2]" 1
639 1 120 PRO QG 1 121 THR MG . . 5.130 3.504 2.459 4.285 . 0 0 "[ . 1 . 2]" 1
640 1 121 THR H 1 121 THR HB . . 4.210 2.917 2.626 3.693 . 0 0 "[ . 1 . 2]" 1
641 1 121 THR H 1 121 THR MG . . 3.940 2.040 1.884 2.192 . 0 0 "[ . 1 . 2]" 1
642 1 121 THR H 1 122 ALA H . . 3.850 2.877 2.080 3.132 . 0 0 "[ . 1 . 2]" 1
643 1 121 THR HB 1 122 ALA H . . 4.890 4.554 4.095 4.645 . 0 0 "[ . 1 . 2]" 1
644 1 121 THR MG 1 122 ALA H . . 4.410 3.494 1.933 4.082 . 0 0 "[ . 1 . 2]" 1
645 1 122 ALA H 1 123 ALA H . . 4.300 3.979 2.960 4.336 0.036 13 0 "[ . 1 . 2]" 1
646 1 122 ALA HA 1 123 ALA H . . 3.200 2.330 2.153 2.735 . 0 0 "[ . 1 . 2]" 1
647 1 122 ALA HA 1 123 ALA HA . . 4.520 4.447 4.404 4.530 0.010 7 0 "[ . 1 . 2]" 1
648 1 122 ALA HA 1 123 ALA MB . . 5.500 4.233 4.039 4.565 . 0 0 "[ . 1 . 2]" 1
649 1 122 ALA HA 1 124 ILE H . . 4.980 4.946 4.645 5.015 0.035 19 0 "[ . 1 . 2]" 1
650 1 122 ALA MB 1 123 ALA H . . 5.030 3.584 3.374 3.717 . 0 0 "[ . 1 . 2]" 1
651 1 123 ALA H 1 123 ALA MB . . 3.430 2.364 2.240 2.443 . 0 0 "[ . 1 . 2]" 1
652 1 123 ALA H 1 124 ILE H . . 4.310 3.967 3.864 4.136 . 0 0 "[ . 1 . 2]" 1
653 1 123 ALA HA 1 124 ILE HB . . 4.920 4.664 4.535 4.747 . 0 0 "[ . 1 . 2]" 1
654 1 123 ALA MB 1 124 ILE H . . 4.420 3.576 3.519 3.605 . 0 0 "[ . 1 . 2]" 1
655 1 123 ALA MB 1 124 ILE HB . . 5.500 5.358 5.221 5.469 . 0 0 "[ . 1 . 2]" 1
656 1 124 ILE H 1 124 ILE HB . . 4.090 2.537 2.367 2.782 . 0 0 "[ . 1 . 2]" 1
657 1 124 ILE H 1 124 ILE MD . . 5.360 3.870 3.136 4.380 . 0 0 "[ . 1 . 2]" 1
658 1 124 ILE H 1 124 ILE QG . . 4.340 3.411 2.110 4.183 . 0 0 "[ . 1 . 2]" 1
659 1 124 ILE MD 1 125 VAL H . . 5.340 2.969 1.862 4.789 . 0 0 "[ . 1 . 2]" 1
660 1 124 ILE MD 1 125 VAL QG . . 5.500 3.769 2.848 5.349 . 0 0 "[ . 1 . 2]" 1
661 1 124 ILE MG 1 125 VAL H . . 4.970 2.905 2.021 3.604 . 0 0 "[ . 1 . 2]" 1
662 1 125 VAL H 1 126 SER H . . 4.660 4.445 4.355 4.514 . 0 0 "[ . 1 . 2]" 1
663 1 125 VAL HA 2 5 PRO HA . . 4.590 2.049 1.937 2.662 . 0 0 "[ . 1 . 2]" 1
664 1 125 VAL HA 2 6 MET H . . 5.080 3.000 2.494 3.426 . 0 0 "[ . 1 . 2]" 1
665 1 125 VAL HB 1 126 SER H . . 4.140 2.522 1.925 3.782 . 0 0 "[ . 1 . 2]" 1
666 1 125 VAL HB 1 126 SER HA . . 4.690 4.747 4.329 5.779 1.089 1 2 "[+ . 1 . -]" 1
667 1 125 VAL HB 1 126 SER QB . . 5.270 4.626 4.103 5.745 0.475 20 0 "[ . 1 . 2]" 1
668 1 125 VAL HB 2 5 PRO HA . . 5.500 3.401 2.832 4.117 . 0 0 "[ . 1 . 2]" 1
669 1 125 VAL HB 2 5 PRO HB3 . . 4.900 4.546 3.526 4.990 0.090 6 0 "[ . 1 . 2]" 1
670 1 125 VAL HB 2 5 PRO QD . . 5.500 4.271 3.684 5.189 . 0 0 "[ . 1 . 2]" 1
671 1 125 VAL QG 1 126 SER H . . 5.420 2.939 1.839 3.397 . 0 0 "[ . 1 . 2]" 1
672 1 125 VAL QG 1 127 SER H . . 5.500 4.618 4.049 5.316 . 0 0 "[ . 1 . 2]" 1
673 1 125 VAL QG 2 5 PRO HA . . 4.860 2.349 1.890 3.152 . 0 0 "[ . 1 . 2]" 1
674 1 125 VAL QG 2 5 PRO HB3 . . 5.500 2.681 2.181 3.952 . 0 0 "[ . 1 . 2]" 1
675 1 126 SER H 2 5 PRO HA . . 4.960 3.632 3.017 4.312 . 0 0 "[ . 1 . 2]" 1
676 1 126 SER H 2 6 MET H . . 5.500 4.800 4.225 5.505 0.005 10 0 "[ . 1 . 2]" 1
677 1 126 SER HA 1 127 SER HA . . 4.530 4.337 4.290 4.398 . 0 0 "[ . 1 . 2]" 1
678 1 126 SER HA 1 127 SER QB . . 5.290 4.193 3.985 4.599 . 0 0 "[ . 1 . 2]" 1
679 2 3 ASN HA 2 4 LYS HA . . 5.260 4.513 4.297 5.351 0.091 5 0 "[ . 1 . 2]" 1
680 2 3 ASN HA 2 4 LYS QB . . 4.630 4.228 3.863 4.652 0.022 2 0 "[ . 1 . 2]" 1
681 2 4 LYS H 2 4 LYS QB . . 3.870 2.693 2.209 3.407 . 0 0 "[ . 1 . 2]" 1
682 2 4 LYS H 2 5 PRO HA . . 5.500 4.657 4.141 5.546 0.046 2 0 "[ . 1 . 2]" 1
683 2 4 LYS HA 2 5 PRO QG . . 5.500 3.953 3.766 4.089 . 0 0 "[ . 1 . 2]" 1
684 2 5 PRO HA 2 6 MET HA . . 5.240 4.378 4.328 4.420 . 0 0 "[ . 1 . 2]" 1
685 2 5 PRO HB2 2 6 MET H . . 3.920 3.108 2.561 3.465 . 0 0 "[ . 1 . 2]" 1
686 2 5 PRO HB2 2 6 MET HA . . 5.030 4.528 4.281 4.703 . 0 0 "[ . 1 . 2]" 1
687 2 5 PRO HB3 2 6 MET H . . 4.170 3.735 3.428 3.956 . 0 0 "[ . 1 . 2]" 1
688 2 5 PRO QG 2 6 MET H . . 5.050 4.456 4.130 4.634 . 0 0 "[ . 1 . 2]" 1
689 2 5 PRO QG 2 6 MET HA . . 5.500 4.966 4.757 5.191 . 0 0 "[ . 1 . 2]" 1
690 2 7 GLN H 2 19 SER H . . 4.390 3.299 2.612 4.151 . 0 0 "[ . 1 . 2]" 1
691 2 7 GLN H 2 20 ASP HA . . 5.500 3.358 1.925 3.954 . 0 0 "[ . 1 . 2]" 1
692 2 7 GLN HA 2 8 PRO HB3 . . 5.330 4.994 4.829 5.234 . 0 0 "[ . 1 . 2]" 1
693 2 7 GLN HA 2 8 PRO QG . . 4.930 3.913 3.797 4.074 . 0 0 "[ . 1 . 2]" 1
694 2 8 PRO HA 2 18 TRP HA . . 4.610 2.517 1.917 4.785 0.175 8 0 "[ . 1 . 2]" 1
695 2 8 PRO HA 2 19 SER H . . 5.210 3.352 2.752 4.168 . 0 0 "[ . 1 . 2]" 1
696 2 8 PRO QG 2 18 TRP QB . . 5.150 4.992 4.383 5.402 0.252 14 0 "[ . 1 . 2]" 1
697 2 16 ILE H 2 16 ILE HB . . 4.070 3.303 2.546 3.896 . 0 0 "[ . 1 . 2]" 1
698 2 16 ILE H 2 17 VAL HA . . 5.400 5.044 4.610 5.427 0.027 17 0 "[ . 1 . 2]" 1
699 2 16 ILE HA 2 17 VAL HA . . 5.030 4.400 4.366 4.499 . 0 0 "[ . 1 . 2]" 1
700 2 16 ILE HA 2 17 VAL QG . . 5.190 3.448 3.184 3.686 . 0 0 "[ . 1 . 2]" 1
701 2 16 ILE HB 2 17 VAL H . . 4.050 3.493 2.645 4.117 0.067 14 0 "[ . 1 . 2]" 1
702 2 16 ILE HB 2 29 SER HA . . 5.500 5.221 4.562 5.523 0.023 5 0 "[ . 1 . 2]" 1
703 2 16 ILE HB 2 30 ALA H . . 5.500 4.877 4.187 5.592 0.092 20 0 "[ . 1 . 2]" 1
704 2 17 VAL H 2 17 VAL QG . . 4.210 2.018 1.847 2.423 . 0 0 "[ . 1 . 2]" 1
705 2 17 VAL H 2 29 SER HA . . 4.770 4.277 4.145 4.454 . 0 0 "[ . 1 . 2]" 1
706 2 17 VAL HA 2 28 PHE H . . 4.110 3.773 3.273 4.040 . 0 0 "[ . 1 . 2]" 1
707 2 17 VAL HA 2 29 SER H . . 5.090 3.950 3.619 4.219 . 0 0 "[ . 1 . 2]" 1
708 2 17 VAL HA 2 29 SER HA . . 4.680 2.008 1.749 2.321 . 0 0 "[ . 1 . 2]" 1
709 2 17 VAL HA 2 30 ALA H . . 4.240 3.722 3.013 4.233 . 0 0 "[ . 1 . 2]" 1
710 2 17 VAL HB 2 27 THR HB . . 5.010 4.565 2.913 5.512 0.502 17 1 "[ . 1 . + 2]" 1
711 2 17 VAL HB 2 28 PHE H . . 5.200 4.145 2.489 5.068 . 0 0 "[ . 1 . 2]" 1
712 2 17 VAL HB 2 28 PHE HA . . 5.390 4.692 2.893 5.932 0.542 3 1 "[ + . 1 . 2]" 1
713 2 17 VAL HB 2 29 SER HA . . 5.070 3.511 2.265 5.205 0.135 20 0 "[ . 1 . 2]" 1
714 2 17 VAL QG 2 18 TRP H . . 5.500 2.847 2.062 3.576 . 0 0 "[ . 1 . 2]" 1
715 2 17 VAL QG 2 18 TRP HA . . 5.420 3.628 3.281 4.127 . 0 0 "[ . 1 . 2]" 1
716 2 17 VAL QG 2 19 SER H . . 4.980 4.717 4.275 5.068 0.088 20 0 "[ . 1 . 2]" 1
717 2 17 VAL QG 2 27 THR HB . . 5.500 2.843 1.836 4.882 . 0 0 "[ . 1 . 2]" 1
718 2 17 VAL QG 2 28 PHE H . . 4.450 2.535 1.841 3.853 . 0 0 "[ . 1 . 2]" 1
719 2 17 VAL QG 2 29 SER H . . 5.390 3.024 2.549 3.925 . 0 0 "[ . 1 . 2]" 1
720 2 17 VAL QG 2 29 SER HA . . 4.980 3.048 2.396 3.744 . 0 0 "[ . 1 . 2]" 1
721 2 18 TRP H 2 28 PHE H . . 4.730 2.830 2.205 3.258 . 0 0 "[ . 1 . 2]" 1
722 2 18 TRP H 2 29 SER HA . . 5.300 3.448 3.022 3.800 . 0 0 "[ . 1 . 2]" 1
723 2 18 TRP QB 2 28 PHE H . . 4.650 4.165 3.509 4.853 0.203 20 0 "[ . 1 . 2]" 1
724 2 19 SER HA 2 20 ASP HB2 . . 4.950 4.528 4.001 5.406 0.456 1 0 "[ . 1 . 2]" 1
725 2 19 SER HA 2 27 THR MG . . 5.500 4.081 3.011 5.688 0.188 8 0 "[ . 1 . 2]" 1
726 2 19 SER QB 2 20 ASP HA . . 5.500 4.392 3.772 4.782 . 0 0 "[ . 1 . 2]" 1
727 2 19 SER QB 2 27 THR HA . . 5.500 2.568 2.018 3.365 . 0 0 "[ . 1 . 2]" 1
728 2 20 ASP H 2 24 LEU H . . 4.700 4.467 4.013 4.821 0.121 14 0 "[ . 1 . 2]" 1
729 2 20 ASP HA 2 23 ARG HB2 . . 4.950 4.363 4.093 5.352 0.402 14 0 "[ . 1 . 2]" 1
730 2 20 ASP HA 2 24 LEU H . . 5.500 4.899 4.648 5.681 0.181 15 0 "[ . 1 . 2]" 1
731 2 20 ASP HB2 2 23 ARG HB2 . . 5.500 2.950 2.058 4.445 . 0 0 "[ . 1 . 2]" 1
732 2 20 ASP HB3 2 21 PRO HB2 . . 5.500 5.478 5.190 6.154 0.654 1 1 "[+ . 1 . 2]" 1
733 2 20 ASP HB3 2 23 ARG HB2 . . 4.700 2.125 1.955 3.188 . 0 0 "[ . 1 . 2]" 1
734 2 20 ASP HB3 2 23 ARG HB3 . . 5.500 3.066 2.034 3.762 . 0 0 "[ . 1 . 2]" 1
735 2 20 ASP HB3 2 23 ARG QD . . 4.540 3.750 2.465 4.293 . 0 0 "[ . 1 . 2]" 1
736 2 21 PRO HB2 2 22 THR H . . 4.650 2.970 2.830 3.044 . 0 0 "[ . 1 . 2]" 1
737 2 21 PRO HB3 2 22 THR MG . . 5.500 4.666 3.916 5.442 . 0 0 "[ . 1 . 2]" 1
738 2 21 PRO HD2 2 23 ARG HB2 . . 5.500 3.228 2.902 3.968 . 0 0 "[ . 1 . 2]" 1
739 2 22 THR H 2 23 ARG H . . 4.080 1.771 1.633 2.293 . 0 0 "[ . 1 . 2]" 1
740 2 22 THR H 2 23 ARG HA . . 4.920 4.321 4.168 4.458 . 0 0 "[ . 1 . 2]" 1
741 2 22 THR H 2 23 ARG QD . . 5.130 4.022 3.174 5.386 0.256 14 0 "[ . 1 . 2]" 1
742 2 22 THR HB 2 23 ARG H . . 5.260 3.839 3.248 4.403 . 0 0 "[ . 1 . 2]" 1
743 2 22 THR MG 2 23 ARG H . . 4.730 4.030 2.094 4.470 . 0 0 "[ . 1 . 2]" 1
744 2 23 ARG HA 2 23 ARG QD . . 4.930 2.782 2.046 4.063 . 0 0 "[ . 1 . 2]" 1
745 2 23 ARG HB2 2 24 LEU H . . 4.020 2.664 1.881 3.463 . 0 0 "[ . 1 . 2]" 1
746 2 24 LEU HA 2 26 THR H . . 5.500 4.250 4.041 4.704 . 0 0 "[ . 1 . 2]" 1
747 2 24 LEU HB2 2 25 SER H . . 4.640 3.118 2.521 3.789 . 0 0 "[ . 1 . 2]" 1
748 2 24 LEU HB2 2 26 THR H . . 3.980 3.049 2.209 3.924 . 0 0 "[ . 1 . 2]" 1
749 2 24 LEU HB2 2 26 THR MG . . 5.240 3.045 2.042 4.106 . 0 0 "[ . 1 . 2]" 1
750 2 24 LEU HB3 2 26 THR HA . . 4.780 4.814 4.259 5.747 0.967 1 3 "[+ - 1 . *2]" 1
751 2 25 SER H 2 26 THR H . . 4.460 2.589 2.509 2.625 . 0 0 "[ . 1 . 2]" 1
752 2 25 SER HA 2 26 THR HA . . 5.500 4.619 4.469 4.770 . 0 0 "[ . 1 . 2]" 1
753 2 25 SER HA 2 26 THR MG . . 5.500 4.531 4.226 4.849 . 0 0 "[ . 1 . 2]" 1
754 2 26 THR H 2 26 THR HB . . 4.190 3.516 2.521 3.817 . 0 0 "[ . 1 . 2]" 1
755 2 26 THR H 2 26 THR MG . . 4.220 2.245 1.865 2.647 . 0 0 "[ . 1 . 2]" 1
756 2 26 THR HA 2 27 THR HA . . 5.000 4.484 4.354 4.573 . 0 0 "[ . 1 . 2]" 1
757 2 26 THR HA 2 27 THR MG . . 5.330 4.581 3.560 5.367 0.037 15 0 "[ . 1 . 2]" 1
758 2 26 THR HB 2 27 THR H . . 4.990 2.668 1.913 4.219 . 0 0 "[ . 1 . 2]" 1
759 2 26 THR MG 2 27 THR H . . 5.500 3.726 2.542 4.120 . 0 0 "[ . 1 . 2]" 1
760 2 27 THR H 2 28 PHE H . . 4.520 4.279 4.045 4.522 0.002 1 0 "[ . 1 . 2]" 1
761 2 27 THR H 2 28 PHE HA . . 5.500 5.047 4.742 5.247 . 0 0 "[ . 1 . 2]" 1
762 2 27 THR H 2 54 VAL H . . 4.250 3.429 2.744 4.306 0.056 18 0 "[ . 1 . 2]" 1
763 2 27 THR H 2 54 VAL HB . . 4.530 3.870 2.549 4.932 0.402 11 0 "[ . 1 . 2]" 1
764 2 27 THR H 2 54 VAL MG1 . . 5.410 4.012 1.794 4.849 . 0 0 "[ . 1 . 2]" 1
765 2 27 THR H 2 54 VAL MG2 . . 5.500 4.952 4.093 5.558 0.058 18 0 "[ . 1 . 2]" 1
766 2 27 THR H 2 55 TYR HA . . 4.670 3.633 2.893 4.538 . 0 0 "[ . 1 . 2]" 1
767 2 27 THR HA 2 28 PHE HA . . 5.500 4.412 4.403 4.427 . 0 0 "[ . 1 . 2]" 1
768 2 27 THR HB 2 28 PHE H . . 4.160 3.490 3.146 3.998 . 0 0 "[ . 1 . 2]" 1
769 2 27 THR HB 2 28 PHE HA . . 4.470 4.225 4.064 4.509 0.039 15 0 "[ . 1 . 2]" 1
770 2 27 THR HB 2 54 VAL H . . 5.500 4.288 3.139 5.615 0.115 14 0 "[ . 1 . 2]" 1
771 2 27 THR HB 2 54 VAL HB . . 4.980 3.858 2.722 5.296 0.316 20 0 "[ . 1 . 2]" 1
772 2 27 THR HB 2 54 VAL MG2 . . 5.500 4.672 3.769 5.687 0.187 17 0 "[ . 1 . 2]" 1
773 2 27 THR MG 2 28 PHE H . . 4.760 3.094 2.386 3.898 . 0 0 "[ . 1 . 2]" 1
774 2 28 PHE HA 2 52 VAL HB . . 5.500 5.452 4.517 6.746 1.246 15 4 "[ . - 1 * *+ 2]" 1
775 2 28 PHE HA 2 53 SER HA . . 4.450 2.917 1.964 4.438 . 0 0 "[ . 1 . 2]" 1
776 2 28 PHE HA 2 54 VAL H . . 5.500 3.581 2.774 4.345 . 0 0 "[ . 1 . 2]" 1
777 2 28 PHE HA 2 54 VAL HB . . 5.430 5.020 4.354 5.636 0.206 11 0 "[ . 1 . 2]" 1
778 2 29 SER H 2 52 VAL QG . . 5.500 3.456 1.974 4.217 . 0 0 "[ . 1 . 2]" 1
779 2 29 SER HA 2 30 ALA HA . . 4.830 4.424 4.382 4.501 . 0 0 "[ . 1 . 2]" 1
780 2 29 SER HA 2 30 ALA MB . . 5.500 3.893 3.737 4.033 . 0 0 "[ . 1 . 2]" 1
781 2 30 ALA HA 2 51 TYR QB . . 5.500 3.244 1.786 4.394 . 0 0 "[ . 1 . 2]" 1
782 2 30 ALA HA 2 52 VAL H . . 4.130 3.178 2.237 4.301 0.171 12 0 "[ . 1 . 2]" 1
783 2 30 ALA MB 2 31 SER HA . . 5.500 3.952 3.889 4.142 . 0 0 "[ . 1 . 2]" 1
784 2 30 ALA MB 2 51 TYR HA . . 5.500 3.567 2.126 5.745 0.245 12 0 "[ . 1 . 2]" 1
785 2 31 SER H 2 50 GLN H . . 4.840 4.226 3.603 4.830 . 0 0 "[ . 1 . 2]" 1
786 2 31 SER H 2 51 TYR HA . . 5.250 3.062 2.622 4.211 . 0 0 "[ . 1 . 2]" 1
787 2 31 SER H 2 52 VAL QG . . 5.500 4.692 3.246 5.885 0.385 12 0 "[ . 1 . 2]" 1
788 2 31 SER HA 2 50 GLN H . . 5.500 5.226 4.566 5.825 0.325 12 0 "[ . 1 . 2]" 1
789 2 32 LEU H 2 32 LEU QD . . 4.470 2.905 1.794 3.810 . 0 0 "[ . 1 . 2]" 1
790 2 32 LEU HA 2 33 LEU HA . . 4.720 4.421 4.366 4.505 . 0 0 "[ . 1 . 2]" 1
791 2 32 LEU HA 2 49 GLY HA2 . . 4.780 2.268 1.924 2.849 . 0 0 "[ . 1 . 2]" 1
792 2 32 LEU HA 2 50 GLN H . . 4.930 2.247 1.888 2.722 . 0 0 "[ . 1 . 2]" 1
793 2 32 LEU HA 2 50 GLN QB . . 4.890 3.990 2.296 4.853 . 0 0 "[ . 1 . 2]" 1
794 2 32 LEU QD 2 33 LEU H . . 4.440 2.976 1.910 4.150 . 0 0 "[ . 1 . 2]" 1
795 2 32 LEU QD 2 33 LEU HA . . 4.750 3.404 2.402 4.614 . 0 0 "[ . 1 . 2]" 1
796 2 32 LEU QD 2 34 ARG H . . 4.830 3.475 2.168 4.780 . 0 0 "[ . 1 . 2]" 1
797 2 32 LEU QD 2 34 ARG HA . . 5.060 4.028 2.889 4.948 . 0 0 "[ . 1 . 2]" 1
798 2 33 LEU H 2 49 GLY H . . 4.330 3.872 3.166 4.476 0.146 12 0 "[ . 1 . 2]" 1
799 2 33 LEU H 2 49 GLY HA2 . . 4.320 2.657 1.919 3.906 . 0 0 "[ . 1 . 2]" 1
800 2 33 LEU H 2 49 GLY HA3 . . 5.500 4.212 2.188 5.239 . 0 0 "[ . 1 . 2]" 1
801 2 33 LEU HA 2 34 ARG HA . . 5.500 4.420 4.321 4.516 . 0 0 "[ . 1 . 2]" 1
802 2 41 ILE HA 2 42 ALA MB . . 5.150 4.766 3.969 5.047 . 0 0 "[ . 1 . 2]" 1
803 2 41 ILE HB 2 42 ALA H . . 4.430 3.098 1.942 4.576 0.146 10 0 "[ . 1 . 2]" 1
804 2 41 ILE HB 2 42 ALA MB . . 5.240 4.268 3.433 5.324 0.084 13 0 "[ . 1 . 2]" 1
805 2 41 ILE MG 2 42 ALA H . . 4.520 3.377 2.103 4.412 . 0 0 "[ . 1 . 2]" 1
806 2 41 ILE MG 2 42 ALA HA . . 5.500 4.215 3.038 5.501 0.001 17 0 "[ . 1 . 2]" 1
807 2 41 ILE MG 2 42 ALA MB . . 5.500 4.024 2.722 5.280 . 0 0 "[ . 1 . 2]" 1
808 2 44 LEU HA 2 87 ALA H . . 4.870 4.513 3.622 4.901 0.031 17 0 "[ . 1 . 2]" 1
809 2 44 LEU HA 2 87 ALA MB . . 5.500 3.459 2.105 4.719 . 0 0 "[ . 1 . 2]" 1
810 2 44 LEU QD 2 45 ASN H . . 5.500 3.365 2.179 4.544 . 0 0 "[ . 1 . 2]" 1
811 2 44 LEU QD 2 86 SER HA . . 5.500 4.112 2.822 4.829 . 0 0 "[ . 1 . 2]" 1
812 2 44 LEU QD 2 87 ALA H . . 4.760 2.915 2.080 4.041 . 0 0 "[ . 1 . 2]" 1
813 2 44 LEU QD 2 88 GLU H . . 5.500 2.917 1.946 4.377 . 0 0 "[ . 1 . 2]" 1
814 2 46 ASN HA 2 47 VAL HA . . 5.500 4.406 4.392 4.491 . 0 0 "[ . 1 . 2]" 1
815 2 46 ASN HA 2 47 VAL MG2 . . 5.480 3.911 2.937 5.509 0.029 6 0 "[ . 1 . 2]" 1
816 2 46 ASN QB 2 47 VAL H . . 4.730 3.429 2.616 3.796 . 0 0 "[ . 1 . 2]" 1
817 2 47 VAL MG2 2 86 SER HA . . 5.500 4.256 2.472 6.280 0.780 2 2 "[ + -. 1 . 2]" 1
818 2 48 SER HA 2 49 GLY HA2 . . 4.680 4.613 4.455 4.775 0.095 13 0 "[ . 1 . 2]" 1
819 2 48 SER HA 2 83 ILE HA . . 5.500 5.349 5.007 5.630 0.130 12 0 "[ . 1 . 2]" 1
820 2 48 SER HA 2 83 ILE HB . . 5.290 4.331 3.604 5.159 . 0 0 "[ . 1 . 2]" 1
821 2 48 SER HA 2 84 SER H . . 4.870 4.533 4.356 4.750 . 0 0 "[ . 1 . 2]" 1
822 2 48 SER HA 2 84 SER HA . . 4.730 2.123 1.864 2.505 . 0 0 "[ . 1 . 2]" 1
823 2 49 GLY H 2 50 GLN H . . 5.080 4.026 3.843 4.274 . 0 0 "[ . 1 . 2]" 1
824 2 49 GLY H 2 50 GLN QB . . 5.500 4.313 3.842 5.222 . 0 0 "[ . 1 . 2]" 1
825 2 49 GLY H 2 83 ILE HA . . 5.500 4.823 4.397 5.084 . 0 0 "[ . 1 . 2]" 1
826 2 49 GLY H 2 83 ILE HB . . 5.240 3.653 2.758 4.245 . 0 0 "[ . 1 . 2]" 1
827 2 49 GLY H 2 84 SER H . . 5.210 4.914 4.537 5.135 . 0 0 "[ . 1 . 2]" 1
828 2 49 GLY H 2 84 SER HA . . 5.500 3.575 3.227 3.841 . 0 0 "[ . 1 . 2]" 1
829 2 49 GLY HA2 2 50 GLN QB . . 4.430 4.086 3.875 4.307 . 0 0 "[ . 1 . 2]" 1
830 2 50 GLN H 2 50 GLN QB . . 3.790 2.631 2.265 3.071 . 0 0 "[ . 1 . 2]" 1
831 2 50 GLN H 2 50 GLN QG . . 3.950 3.600 2.382 4.236 0.286 12 0 "[ . 1 . 2]" 1
832 2 50 GLN H 2 51 TYR H . . 4.490 4.358 4.094 4.489 . 0 0 "[ . 1 . 2]" 1
833 2 50 GLN H 2 51 TYR HA . . 5.150 4.916 4.673 5.202 0.052 3 0 "[ . 1 . 2]" 1
834 2 50 GLN H 2 82 VAL QG . . 5.430 4.338 3.915 4.806 . 0 0 "[ . 1 . 2]" 1
835 2 50 GLN H 2 83 ILE H . . 4.710 4.760 4.593 4.874 0.164 17 0 "[ . 1 . 2]" 1
836 2 50 GLN HA 2 82 VAL HA . . 4.700 2.349 2.080 4.093 . 0 0 "[ . 1 . 2]" 1
837 2 50 GLN HA 2 82 VAL HB . . 5.500 4.615 3.148 5.973 0.473 12 0 "[ . 1 . 2]" 1
838 2 50 GLN HA 2 82 VAL QG . . 5.340 3.007 2.111 4.833 . 0 0 "[ . 1 . 2]" 1
839 2 50 GLN HA 2 83 ILE H . . 4.450 3.442 3.121 4.150 . 0 0 "[ . 1 . 2]" 1
840 2 50 GLN QB 2 51 TYR H . . 5.450 3.392 2.482 3.898 . 0 0 "[ . 1 . 2]" 1
841 2 50 GLN QB 2 51 TYR HA . . 5.500 4.506 3.832 4.724 . 0 0 "[ . 1 . 2]" 1
842 2 50 GLN QB 2 82 VAL QG . . 5.500 2.104 1.773 3.133 . 0 0 "[ . 1 . 2]" 1
843 2 50 GLN QG 2 51 TYR H . . 5.100 2.879 2.213 3.822 . 0 0 "[ . 1 . 2]" 1
844 2 50 GLN QG 2 51 TYR HA . . 5.490 3.661 3.266 5.540 0.050 12 0 "[ . 1 . 2]" 1
845 2 50 GLN QG 2 51 TYR QB . . 5.290 4.712 4.317 5.374 0.084 12 0 "[ . 1 . 2]" 1
846 2 50 GLN QG 2 82 VAL HA . . 5.500 3.565 1.891 4.743 . 0 0 "[ . 1 . 2]" 1
847 2 50 GLN QG 2 82 VAL QG . . 5.230 2.562 1.719 3.802 . 0 0 "[ . 1 . 2]" 1
848 2 50 GLN QG 2 83 ILE H . . 5.500 4.903 1.990 5.547 0.047 16 0 "[ . 1 . 2]" 1
849 2 51 TYR H 2 52 VAL H . . 4.730 4.340 4.086 4.505 . 0 0 "[ . 1 . 2]" 1
850 2 51 TYR H 2 80 ARG HA . . 5.330 4.916 4.434 5.795 0.465 12 0 "[ . 1 . 2]" 1
851 2 51 TYR H 2 82 VAL HA . . 5.140 3.603 2.993 4.155 . 0 0 "[ . 1 . 2]" 1
852 2 51 TYR H 2 83 ILE H . . 5.500 5.238 4.594 5.578 0.078 20 0 "[ . 1 . 2]" 1
853 2 51 TYR HA 2 52 VAL HB . . 5.500 4.908 4.248 5.666 0.166 14 0 "[ . 1 . 2]" 1
854 2 51 TYR HA 2 52 VAL QG . . 5.320 3.312 3.026 3.858 . 0 0 "[ . 1 . 2]" 1
855 2 51 TYR QB 2 52 VAL H . . 5.500 2.865 2.352 3.392 . 0 0 "[ . 1 . 2]" 1
856 2 52 VAL H 2 52 VAL HB . . 3.930 3.148 2.630 3.929 . 0 0 "[ . 1 . 2]" 1
857 2 52 VAL H 2 52 VAL QG . . 4.200 2.422 2.150 2.942 . 0 0 "[ . 1 . 2]" 1
858 2 52 VAL H 2 53 SER H . . 5.500 4.352 4.157 4.501 . 0 0 "[ . 1 . 2]" 1
859 2 52 VAL H 2 80 ARG HA . . 5.440 5.021 4.725 5.516 0.076 3 0 "[ . 1 . 2]" 1
860 2 52 VAL HA 2 80 ARG HA . . 4.840 2.493 2.113 2.927 . 0 0 "[ . 1 . 2]" 1
861 2 52 VAL HA 2 81 THR H . . 4.700 3.467 2.979 3.806 . 0 0 "[ . 1 . 2]" 1
862 2 52 VAL HB 2 53 SER HA . . 5.290 4.652 4.127 5.681 0.391 15 0 "[ . 1 . 2]" 1
863 2 52 VAL HB 2 80 ARG HA . . 5.350 4.473 2.165 5.383 0.033 18 0 "[ . 1 . 2]" 1
864 2 52 VAL QG 2 53 SER H . . 4.890 2.487 2.008 3.436 . 0 0 "[ . 1 . 2]" 1
865 2 52 VAL QG 2 53 SER HA . . 5.500 3.701 3.141 4.305 . 0 0 "[ . 1 . 2]" 1
866 2 52 VAL QG 2 54 VAL HA . . 5.500 4.740 4.113 5.576 0.076 14 0 "[ . 1 . 2]" 1
867 2 52 VAL QG 2 79 ILE HA . . 5.500 4.938 4.239 5.445 . 0 0 "[ . 1 . 2]" 1
868 2 52 VAL QG 2 80 ARG HA . . 5.500 2.569 1.851 3.506 . 0 0 "[ . 1 . 2]" 1
869 2 52 VAL QG 2 81 THR H . . 5.500 3.440 2.330 4.628 . 0 0 "[ . 1 . 2]" 1
870 2 53 SER H 2 54 VAL H . . 4.540 4.228 3.699 4.483 . 0 0 "[ . 1 . 2]" 1
871 2 53 SER H 2 54 VAL MG2 . . 5.500 4.158 3.408 5.882 0.382 11 0 "[ . 1 . 2]" 1
872 2 53 SER H 2 79 ILE H . . 4.470 3.065 2.563 3.505 . 0 0 "[ . 1 . 2]" 1
873 2 53 SER H 2 79 ILE HB . . 4.620 3.220 2.193 3.926 . 0 0 "[ . 1 . 2]" 1
874 2 53 SER HA 2 54 VAL HB . . 5.500 4.543 4.234 4.874 . 0 0 "[ . 1 . 2]" 1
875 2 53 SER HA 2 54 VAL MG2 . . 5.500 3.927 3.456 5.390 . 0 0 "[ . 1 . 2]" 1
876 2 54 VAL HA 2 78 SER HA . . 4.530 2.495 2.093 2.756 . 0 0 "[ . 1 . 2]" 1
877 2 54 VAL HA 2 79 ILE H . . 5.300 3.499 3.034 3.929 . 0 0 "[ . 1 . 2]" 1
878 2 54 VAL HB 2 55 TYR HA . . 5.500 4.877 4.497 5.893 0.393 11 0 "[ . 1 . 2]" 1
879 2 54 VAL HB 2 78 SER HA . . 5.500 5.257 4.154 5.593 0.093 16 0 "[ . 1 . 2]" 1
880 2 54 VAL MG1 2 78 SER HA . . 5.500 3.865 2.957 5.160 . 0 0 "[ . 1 . 2]" 1
881 2 54 VAL MG2 2 78 SER HA . . 5.500 3.331 2.862 3.888 . 0 0 "[ . 1 . 2]" 1
882 2 58 PRO HA 2 59 ALA HA . . 4.700 4.356 4.307 4.414 . 0 0 "[ . 1 . 2]" 1
883 2 58 PRO HA 2 59 ALA MB . . 5.420 3.975 3.884 4.196 . 0 0 "[ . 1 . 2]" 1
884 2 58 PRO HA 2 74 ASN HA . . 4.390 2.050 1.894 2.433 . 0 0 "[ . 1 . 2]" 1
885 2 58 PRO HA 2 75 GLU H . . 4.770 2.821 2.339 3.386 . 0 0 "[ . 1 . 2]" 1
886 2 58 PRO HB2 2 59 ALA HA . . 4.750 4.683 4.330 4.841 0.091 10 0 "[ . 1 . 2]" 1
887 2 58 PRO HB2 2 59 ALA MB . . 5.500 4.550 3.794 4.972 . 0 0 "[ . 1 . 2]" 1
888 2 59 ALA H 2 73 PRO HA . . 5.060 5.103 4.929 5.263 0.203 18 0 "[ . 1 . 2]" 1
889 2 59 ALA H 2 73 PRO HB2 . . 4.950 4.547 3.681 5.122 0.172 10 0 "[ . 1 . 2]" 1
890 2 59 ALA H 2 74 ASN H . . 4.590 4.438 4.128 4.607 0.017 9 0 "[ . 1 . 2]" 1
891 2 59 ALA H 2 74 ASN HA . . 4.880 2.301 1.888 2.818 . 0 0 "[ . 1 . 2]" 1
892 2 59 ALA H 2 75 GLU H . . 4.690 3.968 3.151 4.655 . 0 0 "[ . 1 . 2]" 1
893 2 59 ALA HA 2 73 PRO HG2 . . 5.500 4.447 3.240 5.527 0.027 13 0 "[ . 1 . 2]" 1
894 2 59 ALA MB 2 72 MET HA . . 5.500 4.519 3.338 5.587 0.087 6 0 "[ . 1 . 2]" 1
895 2 59 ALA MB 2 72 MET HB2 . . 5.500 3.706 1.913 5.648 0.148 2 0 "[ . 1 . 2]" 1
896 2 59 ALA MB 2 73 PRO HA . . 5.030 4.161 3.807 4.573 . 0 0 "[ . 1 . 2]" 1
897 2 59 ALA MB 2 73 PRO HB2 . . 4.940 3.013 1.919 4.185 . 0 0 "[ . 1 . 2]" 1
898 2 59 ALA MB 2 73 PRO HG2 . . 5.500 2.060 1.867 2.893 . 0 0 "[ . 1 . 2]" 1
899 2 59 ALA MB 2 74 ASN HA . . 5.400 3.265 2.557 3.878 . 0 0 "[ . 1 . 2]" 1
900 2 59 ALA MB 2 74 ASN HB2 . . 5.500 5.075 4.285 5.507 0.007 2 0 "[ . 1 . 2]" 1
901 2 59 ALA MB 2 74 ASN HB3 . . 5.500 4.486 3.482 5.564 0.064 17 0 "[ . 1 . 2]" 1
902 2 65 CYS HA 2 66 ALA MB . . 5.160 3.981 3.844 4.086 . 0 0 "[ . 1 . 2]" 1
903 2 65 CYS HA 2 67 ASP H . . 4.760 4.714 4.205 4.866 0.106 7 0 "[ . 1 . 2]" 1
904 2 66 ALA H 2 67 ASP H . . 4.750 3.566 3.145 3.913 . 0 0 "[ . 1 . 2]" 1
905 2 67 ASP H 2 68 ALA H . . 4.600 3.090 1.899 4.619 0.019 17 0 "[ . 1 . 2]" 1
906 2 67 ASP HA 2 68 ALA HA . . 4.840 4.543 4.317 4.794 . 0 0 "[ . 1 . 2]" 1
907 2 67 ASP HA 2 68 ALA MB . . 5.360 4.687 4.012 5.034 . 0 0 "[ . 1 . 2]" 1
908 2 67 ASP HB3 2 68 ALA MB . . 5.500 3.756 3.124 5.093 . 0 0 "[ . 1 . 2]" 1
909 2 69 CYS H 2 70 VAL H . . 4.440 4.339 3.815 4.503 0.063 2 0 "[ . 1 . 2]" 1
910 2 69 CYS HA 2 70 VAL QG . . 5.500 3.630 2.884 4.082 . 0 0 "[ . 1 . 2]" 1
911 2 69 CYS QB 2 70 VAL HB . . 5.500 4.841 4.153 5.368 . 0 0 "[ . 1 . 2]" 1
912 2 69 CYS QB 2 70 VAL QG . . 5.500 3.776 2.951 4.561 . 0 0 "[ . 1 . 2]" 1
913 2 70 VAL QG 2 71 ILE H . . 5.100 2.444 1.899 3.144 . 0 0 "[ . 1 . 2]" 1
914 2 70 VAL QG 2 71 ILE HA . . 5.090 3.581 3.230 4.354 . 0 0 "[ . 1 . 2]" 1
915 2 70 VAL QG 2 72 MET H . . 4.570 3.756 2.833 4.651 0.081 10 0 "[ . 1 . 2]" 1
916 2 72 MET H 2 73 PRO HA . . 5.310 5.276 4.614 5.638 0.328 10 0 "[ . 1 . 2]" 1
917 2 73 PRO HB2 2 74 ASN H . . 4.050 2.754 2.335 3.418 . 0 0 "[ . 1 . 2]" 1
918 2 74 ASN H 2 75 GLU H . . 4.370 4.182 3.938 4.412 0.042 13 0 "[ . 1 . 2]" 1
919 2 74 ASN HB2 2 75 GLU H . . 5.420 3.286 2.809 3.912 . 0 0 "[ . 1 . 2]" 1
920 2 74 ASN HB3 2 75 GLU HA . . 5.500 5.744 5.162 5.927 0.427 4 0 "[ . 1 . 2]" 1
921 2 75 GLU H 2 75 GLU HG2 . . 4.780 3.578 2.151 5.134 0.354 19 0 "[ . 1 . 2]" 1
922 2 75 GLU H 2 75 GLU HG3 . . 5.500 3.485 2.359 4.798 . 0 0 "[ . 1 . 2]" 1
923 2 75 GLU H 2 76 ASN H . . 4.690 4.489 4.291 4.573 . 0 0 "[ . 1 . 2]" 1
924 2 75 GLU HA 2 76 ASN HB3 . . 5.500 4.864 4.108 5.668 0.168 14 0 "[ . 1 . 2]" 1
925 2 75 GLU HB2 2 76 ASN H . . 4.230 3.864 2.865 4.316 0.086 11 0 "[ . 1 . 2]" 1
926 2 75 GLU HB3 2 76 ASN H . . 4.540 3.379 2.282 4.479 . 0 0 "[ . 1 . 2]" 1
927 2 75 GLU HG3 2 76 ASN H . . 5.160 4.484 2.587 5.596 0.436 14 0 "[ . 1 . 2]" 1
928 2 76 ASN H 2 76 ASN HB3 . . 4.150 3.297 2.718 3.937 . 0 0 "[ . 1 . 2]" 1
929 2 76 ASN HB3 2 77 GLN H . . 4.480 3.971 2.304 4.480 . 0 0 "[ . 1 . 2]" 1
930 2 78 SER H 2 79 ILE MD . . 5.500 5.183 4.855 5.586 0.086 16 0 "[ . 1 . 2]" 1
931 2 78 SER H 2 79 ILE HG12 . . 4.960 4.715 4.188 5.517 0.557 19 1 "[ . 1 . +2]" 1
932 2 78 SER H 2 79 ILE HG13 . . 5.420 4.046 3.695 4.557 . 0 0 "[ . 1 . 2]" 1
933 2 78 SER HA 2 79 ILE HA . . 5.500 4.406 4.392 4.447 . 0 0 "[ . 1 . 2]" 1
934 2 78 SER HA 2 79 ILE HB . . 4.780 4.623 4.450 4.806 0.026 7 0 "[ . 1 . 2]" 1
935 2 78 SER HA 2 79 ILE MD . . 5.500 4.928 4.318 5.333 . 0 0 "[ . 1 . 2]" 1
936 2 78 SER HA 2 79 ILE HG12 . . 5.500 4.974 4.444 5.260 . 0 0 "[ . 1 . 2]" 1
937 2 79 ILE H 2 79 ILE HB . . 4.050 2.720 2.541 2.965 . 0 0 "[ . 1 . 2]" 1
938 2 79 ILE HA 2 80 ARG HA . . 5.500 4.413 4.391 4.469 . 0 0 "[ . 1 . 2]" 1
939 2 79 ILE HA 2 80 ARG QB . . 5.010 4.239 3.849 4.659 . 0 0 "[ . 1 . 2]" 1
940 2 79 ILE HB 2 80 ARG H . . 4.550 4.129 3.603 4.376 . 0 0 "[ . 1 . 2]" 1
941 2 79 ILE HB 2 80 ARG HA . . 4.910 4.688 4.387 4.903 . 0 0 "[ . 1 . 2]" 1
942 2 79 ILE HG12 2 80 ARG H . . 5.500 4.444 4.136 4.835 . 0 0 "[ . 1 . 2]" 1
943 2 81 THR MG 2 82 VAL H . . 5.100 3.202 2.105 4.162 . 0 0 "[ . 1 . 2]" 1
944 2 81 THR MG 2 82 VAL QG . . 5.500 4.192 3.492 4.788 . 0 0 "[ . 1 . 2]" 1
945 2 82 VAL H 2 83 ILE H . . 4.540 4.309 4.085 4.428 . 0 0 "[ . 1 . 2]" 1
946 2 82 VAL H 2 83 ILE HG13 . . 4.890 3.888 3.436 4.170 . 0 0 "[ . 1 . 2]" 1
947 2 82 VAL HA 2 83 ILE HA . . 5.210 4.417 4.395 4.439 . 0 0 "[ . 1 . 2]" 1
948 2 82 VAL HB 2 83 ILE H . . 5.410 3.991 3.064 4.331 . 0 0 "[ . 1 . 2]" 1
949 2 82 VAL QG 2 83 ILE H . . 5.230 2.474 2.027 3.566 . 0 0 "[ . 1 . 2]" 1
950 2 82 VAL QG 2 83 ILE HA . . 5.500 3.487 3.262 4.356 . 0 0 "[ . 1 . 2]" 1
951 2 82 VAL QG 2 84 SER QB . . 5.500 3.547 3.249 4.854 . 0 0 "[ . 1 . 2]" 1
952 2 83 ILE H 2 83 ILE HB . . 4.180 2.809 2.661 2.922 . 0 0 "[ . 1 . 2]" 1
953 2 83 ILE H 2 83 ILE MD . . 5.050 2.876 2.421 4.224 . 0 0 "[ . 1 . 2]" 1
954 2 83 ILE H 2 83 ILE HG12 . . 5.440 4.473 4.187 4.628 . 0 0 "[ . 1 . 2]" 1
955 2 83 ILE HA 2 84 SER QB . . 5.500 4.010 3.892 4.163 . 0 0 "[ . 1 . 2]" 1
956 2 83 ILE HB 2 84 SER H . . 4.310 4.109 3.888 4.359 0.049 18 0 "[ . 1 . 2]" 1
957 2 83 ILE HB 2 84 SER HA . . 5.050 4.659 4.506 4.916 . 0 0 "[ . 1 . 2]" 1
958 2 83 ILE MD 2 84 SER H . . 5.290 5.093 4.979 5.290 0.000 18 0 "[ . 1 . 2]" 1
959 2 83 ILE MG 2 84 SER H . . 4.470 2.485 1.922 3.055 . 0 0 "[ . 1 . 2]" 1
960 2 84 SER H 2 85 GLY H . . 5.150 4.394 4.222 4.501 . 0 0 "[ . 1 . 2]" 1
961 2 84 SER HA 2 85 GLY HA3 . . 5.130 4.333 4.314 4.384 . 0 0 "[ . 1 . 2]" 1
962 2 86 SER H 2 87 ALA H . . 4.730 4.528 4.464 4.568 . 0 0 "[ . 1 . 2]" 1
963 2 86 SER HA 2 87 ALA MB . . 5.310 4.331 4.284 4.377 . 0 0 "[ . 1 . 2]" 1
964 2 86 SER HA 2 88 GLU H . . 4.670 4.430 4.233 4.787 0.117 18 0 "[ . 1 . 2]" 1
965 2 86 SER QB 2 87 ALA H . . 4.270 2.114 1.912 2.410 . 0 0 "[ . 1 . 2]" 1
966 2 86 SER QB 2 89 ASN H . . 5.000 3.852 3.164 4.555 . 0 0 "[ . 1 . 2]" 1
967 2 87 ALA H 2 88 GLU H . . 4.520 2.814 2.739 2.933 . 0 0 "[ . 1 . 2]" 1
968 2 87 ALA HA 2 89 ASN H . . 4.450 3.687 3.518 3.886 . 0 0 "[ . 1 . 2]" 1
969 2 87 ALA HA 2 90 LEU QD . . 4.960 3.860 2.967 4.703 . 0 0 "[ . 1 . 2]" 1
970 2 87 ALA MB 2 88 GLU H . . 5.070 2.735 2.352 2.938 . 0 0 "[ . 1 . 2]" 1
971 2 87 ALA MB 2 88 GLU HB2 . . 5.350 4.432 4.008 4.915 . 0 0 "[ . 1 . 2]" 1
972 2 87 ALA MB 2 89 ASN H . . 5.500 4.255 4.087 4.315 . 0 0 "[ . 1 . 2]" 1
973 2 88 GLU HB2 2 89 ASN H . . 4.280 3.547 3.033 4.153 . 0 0 "[ . 1 . 2]" 1
974 2 88 GLU HB3 2 89 ASN H . . 4.530 3.471 2.952 4.141 . 0 0 "[ . 1 . 2]" 1
975 2 88 GLU HB3 2 89 ASN HA . . 4.950 4.293 3.997 4.684 . 0 0 "[ . 1 . 2]" 1
976 2 88 GLU HB3 2 89 ASN QB . . 4.730 4.577 4.030 5.441 0.711 11 2 "[ . 1+ .- 2]" 1
977 2 89 ASN H 2 90 LEU H . . 4.350 2.453 2.233 2.823 . 0 0 "[ . 1 . 2]" 1
978 2 89 ASN H 2 90 LEU HB3 . . 5.500 4.829 4.331 5.412 . 0 0 "[ . 1 . 2]" 1
979 2 89 ASN H 2 91 ALA H . . 5.500 4.531 4.026 4.777 . 0 0 "[ . 1 . 2]" 1
980 2 89 ASN HA 2 91 ALA H . . 4.310 4.286 3.952 4.412 0.102 12 0 "[ . 1 . 2]" 1
981 2 89 ASN HA 2 91 ALA MB . . 5.330 5.050 4.750 5.293 . 0 0 "[ . 1 . 2]" 1
982 2 89 ASN HA 2 92 THR H . . 5.020 3.132 2.882 3.498 . 0 0 "[ . 1 . 2]" 1
983 2 89 ASN HA 2 92 THR HB . . 4.760 2.437 2.036 3.703 . 0 0 "[ . 1 . 2]" 1
984 2 90 LEU H 2 90 LEU QD . . 4.540 3.584 3.055 3.748 . 0 0 "[ . 1 . 2]" 1
985 2 90 LEU H 2 91 ALA H . . 4.160 2.848 2.651 3.003 . 0 0 "[ . 1 . 2]" 1
986 2 90 LEU H 2 91 ALA MB . . 4.660 4.490 4.319 4.590 . 0 0 "[ . 1 . 2]" 1
987 2 90 LEU HB2 2 91 ALA H . . 4.250 3.725 3.414 4.094 . 0 0 "[ . 1 . 2]" 1
988 2 90 LEU HB3 2 91 ALA H . . 4.290 2.505 2.227 3.767 . 0 0 "[ . 1 . 2]" 1
989 2 90 LEU HB3 2 91 ALA HA . . 5.500 4.337 3.967 5.607 0.107 11 0 "[ . 1 . 2]" 1
990 2 90 LEU QD 2 91 ALA H . . 5.050 3.205 2.591 3.777 . 0 0 "[ . 1 . 2]" 1
991 2 90 LEU QD 2 94 LYS QG . . 4.490 3.433 2.947 4.209 . 0 0 "[ . 1 . 2]" 1
992 2 91 ALA H 2 91 ALA MB . . 3.640 2.112 2.034 2.271 . 0 0 "[ . 1 . 2]" 1
993 2 91 ALA H 2 92 THR H . . 3.850 2.463 2.358 2.619 . 0 0 "[ . 1 . 2]" 1
994 2 91 ALA HA 2 94 LYS H . . 5.380 3.728 3.676 3.870 . 0 0 "[ . 1 . 2]" 1
995 2 91 ALA HA 2 94 LYS QB . . 4.990 3.739 3.487 4.253 . 0 0 "[ . 1 . 2]" 1
996 2 91 ALA HA 2 94 LYS QG . . 5.110 2.795 2.372 3.191 . 0 0 "[ . 1 . 2]" 1
997 2 91 ALA MB 2 92 THR H . . 4.020 2.784 2.455 3.010 . 0 0 "[ . 1 . 2]" 1
998 2 92 THR H 2 92 THR HB . . 3.890 2.648 2.377 2.908 . 0 0 "[ . 1 . 2]" 1
999 2 92 THR H 2 92 THR MG . . 4.120 3.618 2.407 3.786 . 0 0 "[ . 1 . 2]" 1
1000 2 92 THR H 2 93 LEU H . . 4.400 2.550 2.362 2.682 . 0 0 "[ . 1 . 2]" 1
1001 2 92 THR HA 2 95 ALA H . . 4.750 3.458 3.286 3.570 . 0 0 "[ . 1 . 2]" 1
1002 2 92 THR HA 2 95 ALA MB . . 4.540 2.763 2.485 2.977 . 0 0 "[ . 1 . 2]" 1
1003 2 92 THR HA 2 96 GLU H . . 5.360 3.971 3.522 4.286 . 0 0 "[ . 1 . 2]" 1
1004 2 92 THR HA 2 96 GLU QG . . 5.500 4.030 3.641 4.797 . 0 0 "[ . 1 . 2]" 1
1005 2 92 THR HB 2 93 LEU H . . 5.290 2.991 2.575 3.877 . 0 0 "[ . 1 . 2]" 1
1006 2 92 THR MG 2 95 ALA H . . 4.800 4.512 4.376 4.889 0.089 4 0 "[ . 1 . 2]" 1
1007 2 93 LEU H 2 94 LYS QG . . 5.090 4.088 3.653 4.480 . 0 0 "[ . 1 . 2]" 1
1008 2 93 LEU H 2 95 ALA MB . . 5.070 4.891 4.643 5.072 0.002 1 0 "[ . 1 . 2]" 1
1009 2 93 LEU H 2 96 GLU H . . 4.440 4.513 4.466 4.564 0.124 4 0 "[ . 1 . 2]" 1
1010 2 93 LEU H 2 96 GLU QG . . 4.940 4.066 3.822 4.224 . 0 0 "[ . 1 . 2]" 1
1011 2 93 LEU HA 2 94 LYS HA . . 4.910 4.817 4.734 4.866 . 0 0 "[ . 1 . 2]" 1
1012 2 93 LEU HA 2 95 ALA H . . 4.360 4.338 4.193 4.408 0.048 18 0 "[ . 1 . 2]" 1
1013 2 93 LEU HA 2 95 ALA MB . . 5.500 5.134 5.016 5.231 . 0 0 "[ . 1 . 2]" 1
1014 2 93 LEU HA 2 96 GLU H . . 4.920 3.350 3.175 3.646 . 0 0 "[ . 1 . 2]" 1
1015 2 93 LEU HA 2 96 GLU QG . . 4.800 2.528 1.875 2.946 . 0 0 "[ . 1 . 2]" 1
1016 2 93 LEU HA 2 97 TRP H . . 4.900 3.877 3.593 4.121 . 0 0 "[ . 1 . 2]" 1
1017 2 93 LEU HA 2 97 TRP HA . . 5.500 5.468 5.150 5.651 0.151 15 0 "[ . 1 . 2]" 1
1018 2 93 LEU HB3 2 94 LYS HA . . 5.270 4.189 3.840 4.429 . 0 0 "[ . 1 . 2]" 1
1019 2 93 LEU HB3 2 94 LYS QG . . 4.340 3.229 3.018 3.734 . 0 0 "[ . 1 . 2]" 1
1020 2 93 LEU HB3 2 96 GLU QG . . 5.280 5.071 4.361 5.480 0.200 10 0 "[ . 1 . 2]" 1
1021 2 93 LEU QD 2 94 LYS H . . 4.580 2.791 2.259 3.507 . 0 0 "[ . 1 . 2]" 1
1022 2 93 LEU QD 2 94 LYS HA . . 5.010 2.684 2.257 3.295 . 0 0 "[ . 1 . 2]" 1
1023 2 93 LEU QD 2 94 LYS QB . . 4.720 3.889 3.468 4.598 . 0 0 "[ . 1 . 2]" 1
1024 2 93 LEU QD 2 94 LYS QG . . 4.760 2.722 2.223 3.954 . 0 0 "[ . 1 . 2]" 1
1025 2 93 LEU QD 2 96 GLU H . . 5.260 4.178 3.575 4.940 . 0 0 "[ . 1 . 2]" 1
1026 2 93 LEU QD 2 97 TRP HA . . 4.510 3.816 3.402 4.436 . 0 0 "[ . 1 . 2]" 1
1027 2 94 LYS H 2 94 LYS QG . . 4.520 2.065 1.878 2.290 . 0 0 "[ . 1 . 2]" 1
1028 2 94 LYS H 2 95 ALA H . . 4.600 2.747 2.503 2.891 . 0 0 "[ . 1 . 2]" 1
1029 2 94 LYS HA 2 96 GLU H . . 5.500 4.460 4.106 4.898 . 0 0 "[ . 1 . 2]" 1
1030 2 94 LYS HA 2 97 TRP H . . 3.900 3.671 3.558 3.818 . 0 0 "[ . 1 . 2]" 1
1031 2 94 LYS HA 2 97 TRP HA . . 5.490 5.481 5.282 5.662 0.172 18 0 "[ . 1 . 2]" 1
1032 2 94 LYS QB 2 95 ALA HA . . 4.850 3.913 3.873 4.122 . 0 0 "[ . 1 . 2]" 1
1033 2 95 ALA H 2 96 GLU H . . 3.960 2.464 2.394 2.542 . 0 0 "[ . 1 . 2]" 1
1034 2 95 ALA H 2 96 GLU HA . . 5.260 5.102 5.037 5.162 . 0 0 "[ . 1 . 2]" 1
1035 2 95 ALA H 2 96 GLU QG . . 4.500 4.156 3.925 4.446 . 0 0 "[ . 1 . 2]" 1
1036 2 95 ALA HA 2 96 GLU QG . . 5.250 5.232 5.053 5.597 0.347 14 0 "[ . 1 . 2]" 1
1037 2 95 ALA HA 2 97 TRP H . . 4.400 4.172 3.910 4.429 0.029 12 0 "[ . 1 . 2]" 1
1038 2 95 ALA HA 2 98 GLU H . . 4.490 3.859 3.698 3.948 . 0 0 "[ . 1 . 2]" 1
1039 2 95 ALA HA 2 98 GLU HB2 . . 4.850 3.739 3.559 3.877 . 0 0 "[ . 1 . 2]" 1
1040 2 95 ALA HA 2 98 GLU HB3 . . 5.330 5.330 5.080 5.483 0.153 1 0 "[ . 1 . 2]" 1
1041 2 95 ALA HA 2 98 GLU QG . . 4.810 4.715 3.662 4.892 0.082 1 0 "[ . 1 . 2]" 1
1042 2 95 ALA HA 2 99 THR H . . 5.500 4.566 4.355 4.654 . 0 0 "[ . 1 . 2]" 1
1043 2 95 ALA MB 2 96 GLU H . . 4.380 2.753 2.368 3.046 . 0 0 "[ . 1 . 2]" 1
1044 2 95 ALA MB 2 96 GLU HA . . 5.210 3.817 3.691 3.925 . 0 0 "[ . 1 . 2]" 1
1045 2 96 GLU H 2 96 GLU QG . . 4.480 2.524 2.283 2.914 . 0 0 "[ . 1 . 2]" 1
1046 2 96 GLU HA 2 97 TRP HA . . 5.500 4.854 4.780 4.895 . 0 0 "[ . 1 . 2]" 1
1047 2 96 GLU HA 2 98 GLU H . . 5.500 4.305 3.835 4.779 . 0 0 "[ . 1 . 2]" 1
1048 2 96 GLU HA 2 99 THR H . . 5.460 3.196 3.027 3.511 . 0 0 "[ . 1 . 2]" 1
1049 2 96 GLU HA 2 99 THR MG . . 5.500 3.112 1.846 3.693 . 0 0 "[ . 1 . 2]" 1
1050 2 96 GLU HA 2 100 HIS H . . 5.500 3.380 3.136 3.995 . 0 0 "[ . 1 . 2]" 1
1051 2 96 GLU HB2 2 97 TRP H . . 4.540 3.318 2.774 4.207 . 0 0 "[ . 1 . 2]" 1
1052 2 96 GLU QG 2 97 TRP H . . 4.360 3.510 1.987 4.349 . 0 0 "[ . 1 . 2]" 1
1053 2 97 TRP H 2 98 GLU H . . 4.350 2.803 2.617 2.906 . 0 0 "[ . 1 . 2]" 1
1054 2 97 TRP HA 2 97 TRP HE3 . . 5.500 3.107 1.889 4.881 . 0 0 "[ . 1 . 2]" 1
1055 2 97 TRP HB2 2 97 TRP HE1 . . 5.020 4.936 4.750 5.276 0.256 1 0 "[ . 1 . 2]" 1
1056 2 97 TRP HB3 2 98 GLU H . . 4.830 2.587 2.212 2.926 . 0 0 "[ . 1 . 2]" 1
1057 2 98 GLU HB2 2 99 THR H . . 5.500 2.945 2.202 3.251 . 0 0 "[ . 1 . 2]" 1
1058 2 98 GLU HB3 2 99 THR H . . 5.500 3.452 3.032 3.797 . 0 0 "[ . 1 . 2]" 1
1059 2 99 THR HA 2 102 ARG H . . 4.880 3.334 3.121 3.544 . 0 0 "[ . 1 . 2]" 1
1060 2 99 THR HA 2 127 SER H . . 4.280 2.529 1.917 4.056 . 0 0 "[ . 1 . 2]" 1
1061 2 99 THR MG 2 101 LYS H . . 5.040 4.754 4.256 5.169 0.129 19 0 "[ . 1 . 2]" 1
1062 2 99 THR MG 2 102 ARG QB . . 5.500 3.805 3.132 4.896 . 0 0 "[ . 1 . 2]" 1
1063 2 99 THR MG 2 126 SER HA . . 4.780 2.866 1.881 4.558 . 0 0 "[ . 1 . 2]" 1
1064 2 99 THR MG 2 126 SER QB . . 5.500 2.981 1.942 5.366 . 0 0 "[ . 1 . 2]" 1
1065 2 99 THR MG 2 127 SER H . . 5.290 2.686 2.065 4.072 . 0 0 "[ . 1 . 2]" 1
1066 2 99 THR MG 2 127 SER HA . . 5.020 4.680 4.197 5.087 0.067 12 0 "[ . 1 . 2]" 1
1067 2 99 THR MG 2 127 SER QB . . 5.350 3.173 1.861 4.145 . 0 0 "[ . 1 . 2]" 1
1068 2 100 HIS HA 2 103 ASN HB2 . . 5.500 5.026 3.987 5.343 . 0 0 "[ . 1 . 2]" 1
1069 2 100 HIS HA 2 104 VAL H . . 5.500 4.277 3.845 4.514 . 0 0 "[ . 1 . 2]" 1
1070 2 101 LYS H 2 102 ARG H . . 4.130 2.445 2.338 2.749 . 0 0 "[ . 1 . 2]" 1
1071 2 101 LYS H 2 102 ARG QB . . 4.490 4.226 4.083 4.687 0.197 1 0 "[ . 1 . 2]" 1
1072 2 101 LYS HA 2 104 VAL H . . 4.330 3.633 3.467 3.860 . 0 0 "[ . 1 . 2]" 1
1073 2 101 LYS HA 2 104 VAL HB . . 4.500 2.891 2.578 4.422 . 0 0 "[ . 1 . 2]" 1
1074 2 101 LYS HA 2 104 VAL MG2 . . 5.070 3.093 1.813 3.942 . 0 0 "[ . 1 . 2]" 1
1075 2 101 LYS HA 2 105 ASP H . . 4.400 4.213 3.725 4.443 0.043 20 0 "[ . 1 . 2]" 1
1076 2 102 ARG H 2 102 ARG QB . . 3.900 2.263 2.196 2.653 . 0 0 "[ . 1 . 2]" 1
1077 2 102 ARG H 2 102 ARG QD . . 4.930 4.334 3.443 4.727 . 0 0 "[ . 1 . 2]" 1
1078 2 102 ARG H 2 104 VAL H . . 4.290 3.899 3.816 4.219 . 0 0 "[ . 1 . 2]" 1
1079 2 102 ARG H 2 104 VAL MG2 . . 5.500 4.810 3.680 5.408 . 0 0 "[ . 1 . 2]" 1
1080 2 102 ARG H 2 105 ASP H . . 5.020 4.638 4.453 4.914 . 0 0 "[ . 1 . 2]" 1
1081 2 102 ARG HA 2 104 VAL H . . 4.920 4.367 4.204 4.629 . 0 0 "[ . 1 . 2]" 1
1082 2 102 ARG HA 2 105 ASP H . . 4.450 3.488 3.210 3.774 . 0 0 "[ . 1 . 2]" 1
1083 2 102 ARG HA 2 105 ASP QB . . 4.910 2.660 2.093 3.197 . 0 0 "[ . 1 . 2]" 1
1084 2 102 ARG HA 2 106 THR H . . 5.500 4.381 3.900 4.608 . 0 0 "[ . 1 . 2]" 1
1085 2 102 ARG QB 2 103 ASN H . . 4.010 2.477 2.301 3.382 . 0 0 "[ . 1 . 2]" 1
1086 2 102 ARG QB 2 103 ASN HB2 . . 5.490 5.267 4.539 5.870 0.380 1 0 "[ . 1 . 2]" 1
1087 2 102 ARG QB 2 105 ASP QB . . 5.500 4.454 3.794 4.873 . 0 0 "[ . 1 . 2]" 1
1088 2 102 ARG QB 2 125 VAL H . . 5.170 4.897 4.255 5.281 0.111 6 0 "[ . 1 . 2]" 1
1089 2 102 ARG QB 2 126 SER HA . . 4.980 3.653 1.981 5.147 0.167 1 0 "[ . 1 . 2]" 1
1090 2 102 ARG QD 2 125 VAL QG . . 5.500 2.727 1.843 3.345 . 0 0 "[ . 1 . 2]" 1
1091 2 102 ARG QG 2 103 ASN H . . 4.300 3.298 2.112 3.775 . 0 0 "[ . 1 . 2]" 1
1092 2 102 ARG QG 2 103 ASN HA . . 4.910 3.504 3.127 4.122 . 0 0 "[ . 1 . 2]" 1
1093 2 102 ARG QG 2 105 ASP QB . . 5.500 4.185 3.577 4.813 . 0 0 "[ . 1 . 2]" 1
1094 2 102 ARG QG 2 124 ILE MD . . 5.500 3.842 2.157 5.291 . 0 0 "[ . 1 . 2]" 1
1095 2 102 ARG QG 2 125 VAL H . . 4.350 3.311 2.773 3.916 . 0 0 "[ . 1 . 2]" 1
1096 2 102 ARG QG 2 125 VAL HA . . 5.200 4.830 4.118 5.134 . 0 0 "[ . 1 . 2]" 1
1097 2 102 ARG QG 2 126 SER HA . . 5.020 3.595 2.333 4.226 . 0 0 "[ . 1 . 2]" 1
1098 2 102 ARG QG 2 127 SER HA . . 5.500 4.044 3.180 4.957 . 0 0 "[ . 1 . 2]" 1
1099 2 103 ASN H 2 104 VAL HB . . 5.500 4.957 4.764 5.979 0.479 5 0 "[ . 1 . 2]" 1
1100 2 103 ASN H 2 104 VAL MG2 . . 5.340 4.165 3.418 4.474 . 0 0 "[ . 1 . 2]" 1
1101 2 103 ASN H 2 105 ASP H . . 4.430 4.092 3.854 4.456 0.026 11 0 "[ . 1 . 2]" 1
1102 2 103 ASN H 2 124 ILE MD . . 4.890 4.163 3.074 4.860 . 0 0 "[ . 1 . 2]" 1
1103 2 103 ASN H 2 124 ILE QG . . 5.500 4.643 3.789 5.486 . 0 0 "[ . 1 . 2]" 1
1104 2 103 ASN H 2 124 ILE MG . . 5.500 4.646 3.294 5.770 0.270 6 0 "[ . 1 . 2]" 1
1105 2 103 ASN H 2 125 VAL QG . . 5.220 5.123 4.552 5.309 0.089 6 0 "[ . 1 . 2]" 1
1106 2 103 ASN HA 2 104 VAL HA . . 4.830 4.760 4.675 4.820 . 0 0 "[ . 1 . 2]" 1
1107 2 103 ASN HA 2 105 ASP H . . 5.150 4.267 4.011 4.709 . 0 0 "[ . 1 . 2]" 1
1108 2 103 ASN HA 2 105 ASP QB . . 5.350 4.972 4.720 5.218 . 0 0 "[ . 1 . 2]" 1
1109 2 103 ASN HA 2 106 THR H . . 4.100 3.619 3.413 3.777 . 0 0 "[ . 1 . 2]" 1
1110 2 103 ASN HA 2 106 THR HB . . 4.840 3.338 2.731 4.436 . 0 0 "[ . 1 . 2]" 1
1111 2 103 ASN HA 2 106 THR HG1 . . 5.170 4.396 3.441 5.410 0.240 6 0 "[ . 1 . 2]" 1
1112 2 103 ASN HA 2 107 LEU H . . 5.120 4.287 3.902 4.506 . 0 0 "[ . 1 . 2]" 1
1113 2 103 ASN HA 2 124 ILE HA . . 4.620 4.191 3.493 4.817 0.197 18 0 "[ . 1 . 2]" 1
1114 2 103 ASN HA 2 124 ILE HB . . 5.100 4.509 4.014 4.836 . 0 0 "[ . 1 . 2]" 1
1115 2 103 ASN HA 2 124 ILE MD . . 5.220 2.054 1.841 2.864 . 0 0 "[ . 1 . 2]" 1
1116 2 103 ASN HA 2 125 VAL H . . 4.410 3.929 3.444 4.346 . 0 0 "[ . 1 . 2]" 1
1117 2 103 ASN HB2 2 104 VAL H . . 4.430 3.994 3.519 4.195 . 0 0 "[ . 1 . 2]" 1
1118 2 103 ASN HB2 2 104 VAL MG2 . . 5.500 4.552 4.093 5.476 . 0 0 "[ . 1 . 2]" 1
1119 2 103 ASN HB2 2 124 ILE MD . . 5.500 2.673 1.939 3.597 . 0 0 "[ . 1 . 2]" 1
1120 2 103 ASN HB2 2 125 VAL H . . 5.150 5.094 4.128 5.474 0.324 13 0 "[ . 1 . 2]" 1
1121 2 103 ASN HB3 2 104 VAL H . . 4.750 3.629 2.708 3.847 . 0 0 "[ . 1 . 2]" 1
1122 2 103 ASN HB3 2 125 VAL H . . 5.320 5.146 4.666 5.723 0.403 19 0 "[ . 1 . 2]" 1
1123 2 104 VAL H 2 104 VAL HB . . 3.770 2.539 2.442 3.610 . 0 0 "[ . 1 . 2]" 1
1124 2 104 VAL H 2 104 VAL MG1 . . 4.710 3.685 2.235 3.773 . 0 0 "[ . 1 . 2]" 1
1125 2 104 VAL H 2 104 VAL MG2 . . 4.150 2.247 1.907 2.505 . 0 0 "[ . 1 . 2]" 1
1126 2 104 VAL H 2 105 ASP H . . 3.810 2.560 2.335 2.746 . 0 0 "[ . 1 . 2]" 1
1127 2 104 VAL H 2 105 ASP HA . . 5.470 5.170 4.977 5.333 . 0 0 "[ . 1 . 2]" 1
1128 2 104 VAL HA 2 105 ASP HA . . 5.460 4.779 4.731 4.868 . 0 0 "[ . 1 . 2]" 1
1129 2 104 VAL HA 2 107 LEU H . . 4.760 3.390 3.216 3.564 . 0 0 "[ . 1 . 2]" 1
1130 2 104 VAL HA 2 107 LEU HA . . 5.500 5.240 5.039 5.498 . 0 0 "[ . 1 . 2]" 1
1131 2 104 VAL HA 2 107 LEU HB2 . . 4.650 2.521 2.186 3.190 . 0 0 "[ . 1 . 2]" 1
1132 2 104 VAL HA 2 107 LEU HB3 . . 4.890 3.449 3.003 3.777 . 0 0 "[ . 1 . 2]" 1
1133 2 104 VAL HB 2 105 ASP H . . 3.590 2.861 2.432 3.670 0.080 5 0 "[ . 1 . 2]" 1
1134 2 104 VAL HB 2 105 ASP HA . . 4.740 4.323 4.243 4.395 . 0 0 "[ . 1 . 2]" 1
1135 2 104 VAL HB 2 105 ASP QB . . 5.500 4.361 4.040 5.091 . 0 0 "[ . 1 . 2]" 1
1136 2 104 VAL MG1 2 105 ASP H . . 4.930 3.569 3.167 3.965 . 0 0 "[ . 1 . 2]" 1
1137 2 104 VAL MG1 2 105 ASP HA . . 5.500 3.606 3.251 5.409 . 0 0 "[ . 1 . 2]" 1
1138 2 104 VAL MG2 2 105 ASP H . . 4.480 3.839 2.074 4.031 . 0 0 "[ . 1 . 2]" 1
1139 2 104 VAL MG2 2 107 LEU H . . 5.500 5.120 4.787 5.245 . 0 0 "[ . 1 . 2]" 1
1140 2 105 ASP H 2 106 THR H . . 4.190 2.638 2.461 2.909 . 0 0 "[ . 1 . 2]" 1
1141 2 105 ASP H 2 107 LEU H . . 5.420 3.899 3.667 4.153 . 0 0 "[ . 1 . 2]" 1
1142 2 105 ASP HA 2 109 ALA H . . 4.950 4.361 3.892 4.708 . 0 0 "[ . 1 . 2]" 1
1143 2 105 ASP HA 2 109 ALA MB . . 5.500 4.344 3.923 4.954 . 0 0 "[ . 1 . 2]" 1
1144 2 105 ASP QB 2 106 THR H . . 4.650 2.614 2.380 2.947 . 0 0 "[ . 1 . 2]" 1
1145 2 106 THR H 2 106 THR HG1 . . 4.300 3.110 2.008 4.529 0.229 6 0 "[ . 1 . 2]" 1
1146 2 106 THR H 2 106 THR MG . . 4.470 3.620 2.195 3.779 . 0 0 "[ . 1 . 2]" 1
1147 2 106 THR H 2 107 LEU H . . 4.120 2.492 2.352 2.672 . 0 0 "[ . 1 . 2]" 1
1148 2 106 THR H 2 108 PHE H . . 5.410 4.027 3.712 4.533 . 0 0 "[ . 1 . 2]" 1
1149 2 106 THR HA 2 109 ALA MB . . 5.500 2.426 1.974 3.036 . 0 0 "[ . 1 . 2]" 1
1150 2 106 THR HB 2 107 LEU H . . 4.420 2.988 2.604 4.158 . 0 0 "[ . 1 . 2]" 1
1151 2 106 THR HB 2 124 ILE HA . . 4.730 3.935 3.243 4.609 . 0 0 "[ . 1 . 2]" 1
1152 2 106 THR MG 2 107 LEU H . . 4.840 3.511 2.142 3.996 . 0 0 "[ . 1 . 2]" 1
1153 2 106 THR MG 2 122 ALA HA . . 4.720 4.345 3.368 4.845 0.125 6 0 "[ . 1 . 2]" 1
1154 2 106 THR MG 2 122 ALA MB . . 5.500 4.487 3.630 5.649 0.149 20 0 "[ . 1 . 2]" 1
1155 2 106 THR MG 2 123 ALA H . . 4.250 4.184 3.385 4.454 0.204 6 0 "[ . 1 . 2]" 1
1156 2 106 THR MG 2 123 ALA MB . . 5.500 4.645 3.490 5.172 . 0 0 "[ . 1 . 2]" 1
1157 2 106 THR MG 2 124 ILE HA . . 5.500 3.200 2.401 3.658 . 0 0 "[ . 1 . 2]" 1
1158 2 106 THR MG 2 124 ILE HB . . 5.500 4.568 2.835 5.556 0.056 8 0 "[ . 1 . 2]" 1
1159 2 106 THR MG 2 124 ILE MD . . 5.500 2.749 1.796 4.824 . 0 0 "[ . 1 . 2]" 1
1160 2 106 THR MG 2 125 VAL H . . 5.390 4.424 3.283 5.131 . 0 0 "[ . 1 . 2]" 1
1161 2 107 LEU H 2 107 LEU HB2 . . 3.810 2.102 2.042 2.224 . 0 0 "[ . 1 . 2]" 1
1162 2 107 LEU H 2 107 LEU MD1 . . 5.180 4.130 3.469 4.296 . 0 0 "[ . 1 . 2]" 1
1163 2 107 LEU H 2 107 LEU HG . . 4.940 4.253 3.660 4.555 . 0 0 "[ . 1 . 2]" 1
1164 2 107 LEU H 2 108 PHE H . . 4.120 2.536 2.345 2.714 . 0 0 "[ . 1 . 2]" 1
1165 2 107 LEU HA 2 107 LEU MD1 . . 4.460 2.451 2.074 3.655 . 0 0 "[ . 1 . 2]" 1
1166 2 107 LEU HA 2 109 ALA H . . 5.450 4.299 4.107 4.602 . 0 0 "[ . 1 . 2]" 1
1167 2 107 LEU HA 2 110 SER H . . 5.210 3.755 3.423 3.966 . 0 0 "[ . 1 . 2]" 1
1168 2 107 LEU HA 2 111 GLY H . . 4.790 3.264 2.821 4.136 . 0 0 "[ . 1 . 2]" 1
1169 2 107 LEU HB2 2 108 PHE H . . 4.920 3.403 3.044 3.710 . 0 0 "[ . 1 . 2]" 1
1170 2 107 LEU HB2 2 108 PHE HB2 . . 5.500 5.077 4.543 6.258 0.758 19 2 "[ - 1 . +2]" 1
1171 2 107 LEU HB3 2 108 PHE H . . 4.400 3.269 2.795 3.824 . 0 0 "[ . 1 . 2]" 1
1172 2 107 LEU HB3 2 108 PHE HA . . 4.450 4.104 3.925 4.308 . 0 0 "[ . 1 . 2]" 1
1173 2 107 LEU MD1 2 108 PHE HA . . 5.320 4.597 3.459 6.074 0.754 19 2 "[ - 1 . +2]" 1
1174 2 107 LEU MD1 2 122 ALA MB . . 5.500 4.371 3.239 5.608 0.108 20 0 "[ . 1 . 2]" 1
1175 2 107 LEU MD2 2 122 ALA MB . . 5.500 3.699 2.361 5.515 0.015 19 0 "[ . 1 . 2]" 1
1176 2 108 PHE H 2 109 ALA H . . 4.030 2.176 1.977 2.376 . 0 0 "[ . 1 . 2]" 1
1177 2 108 PHE H 2 109 ALA HA . . 5.500 4.870 4.728 5.010 . 0 0 "[ . 1 . 2]" 1
1178 2 108 PHE H 2 109 ALA MB . . 5.180 3.927 3.788 4.081 . 0 0 "[ . 1 . 2]" 1
1179 2 108 PHE H 2 110 SER H . . 4.800 3.685 3.298 3.972 . 0 0 "[ . 1 . 2]" 1
1180 2 108 PHE H 2 111 GLY H . . 4.560 4.237 3.790 4.578 0.018 15 0 "[ . 1 . 2]" 1
1181 2 108 PHE HA 2 109 ALA H . . 3.420 3.448 3.405 3.501 0.081 20 0 "[ . 1 . 2]" 1
1182 2 108 PHE HA 2 109 ALA HA . . 4.740 4.666 4.642 4.715 . 0 0 "[ . 1 . 2]" 1
1183 2 108 PHE HA 2 109 ALA MB . . 5.500 4.966 4.949 5.000 . 0 0 "[ . 1 . 2]" 1
1184 2 108 PHE HA 2 110 SER H . . 4.240 4.187 3.821 4.302 0.062 10 0 "[ . 1 . 2]" 1
1185 2 108 PHE HB2 2 109 ALA H . . 4.840 3.764 3.030 4.213 . 0 0 "[ . 1 . 2]" 1
1186 2 108 PHE HB2 2 110 SER H . . 5.500 5.537 5.121 5.863 0.363 14 0 "[ . 1 . 2]" 1
1187 2 108 PHE HB3 2 109 ALA H . . 5.500 3.299 2.856 3.929 . 0 0 "[ . 1 . 2]" 1
1188 2 108 PHE HB3 2 109 ALA MB . . 5.500 4.188 3.764 5.197 . 0 0 "[ . 1 . 2]" 1
1189 2 109 ALA H 2 110 SER H . . 3.090 2.288 2.231 2.409 . 0 0 "[ . 1 . 2]" 1
1190 2 109 ALA H 2 111 GLY H . . 4.330 3.717 3.614 3.866 . 0 0 "[ . 1 . 2]" 1
1191 2 109 ALA HA 2 111 GLY H . . 4.940 4.814 4.538 4.912 . 0 0 "[ . 1 . 2]" 1
1192 2 109 ALA MB 2 110 SER H . . 4.450 2.871 2.750 3.035 . 0 0 "[ . 1 . 2]" 1
1193 2 109 ALA MB 2 110 SER HA . . 5.160 4.017 3.938 4.053 . 0 0 "[ . 1 . 2]" 1
1194 2 109 ALA MB 2 111 GLY H . . 4.680 4.608 4.498 4.683 0.003 16 0 "[ . 1 . 2]" 1
1195 2 110 SER H 2 111 GLY H . . 3.740 2.089 2.027 2.309 . 0 0 "[ . 1 . 2]" 1
1196 2 110 SER QB 2 111 GLY H . . 4.300 2.752 2.648 3.542 . 0 0 "[ . 1 . 2]" 1
1197 2 111 GLY H 2 112 ASN H . . 4.640 4.447 4.113 4.634 . 0 0 "[ . 1 . 2]" 1
1198 2 112 ASN H 2 115 LEU QD . . 5.210 3.979 3.329 4.881 . 0 0 "[ . 1 . 2]" 1
1199 2 112 ASN HA 2 113 ALA MB . . 5.000 3.970 3.920 4.014 . 0 0 "[ . 1 . 2]" 1
1200 2 112 ASN HA 2 114 GLY H . . 4.710 3.514 3.458 3.611 . 0 0 "[ . 1 . 2]" 1
1201 2 112 ASN HA 2 115 LEU H . . 4.970 4.931 4.666 5.078 0.108 13 0 "[ . 1 . 2]" 1
1202 2 112 ASN HA 2 115 LEU QD . . 5.170 4.340 3.882 5.003 . 0 0 "[ . 1 . 2]" 1
1203 2 113 ALA H 2 114 GLY H . . 4.580 2.524 2.453 2.669 . 0 0 "[ . 1 . 2]" 1
1204 2 113 ALA MB 2 114 GLY H . . 4.980 3.007 2.859 3.094 . 0 0 "[ . 1 . 2]" 1
1205 2 114 GLY H 2 115 LEU H . . 4.470 2.795 2.699 2.899 . 0 0 "[ . 1 . 2]" 1
1206 2 114 GLY H 2 115 LEU QD . . 5.500 3.513 3.198 3.829 . 0 0 "[ . 1 . 2]" 1
1207 2 114 GLY HA2 2 115 LEU HA . . 5.500 4.534 4.526 4.540 . 0 0 "[ . 1 . 2]" 1
1208 2 114 GLY HA3 2 115 LEU HG . . 4.980 4.216 3.330 5.190 0.210 20 0 "[ . 1 . 2]" 1
1209 2 115 LEU H 2 115 LEU QD . . 4.530 2.168 1.877 2.636 . 0 0 "[ . 1 . 2]" 1
1210 2 115 LEU H 2 115 LEU HG . . 4.480 2.564 1.934 4.095 . 0 0 "[ . 1 . 2]" 1
1211 2 115 LEU H 2 116 GLY H . . 4.630 2.026 1.890 2.217 . 0 0 "[ . 1 . 2]" 1
1212 2 115 LEU H 2 116 GLY HA2 . . 4.290 4.263 4.217 4.328 0.038 16 0 "[ . 1 . 2]" 1
1213 2 115 LEU H 2 117 PHE H . . 3.260 3.320 3.272 3.421 0.161 20 0 "[ . 1 . 2]" 1
1214 2 115 LEU HA 2 115 LEU HG . . 4.210 3.359 2.786 3.816 . 0 0 "[ . 1 . 2]" 1
1215 2 115 LEU QD 2 116 GLY H . . 5.500 3.503 2.773 3.960 . 0 0 "[ . 1 . 2]" 1
1216 2 115 LEU QD 2 116 GLY HA3 . . 5.440 5.036 4.387 5.229 . 0 0 "[ . 1 . 2]" 1
1217 2 115 LEU QD 2 117 PHE H . . 4.850 3.002 1.886 3.350 . 0 0 "[ . 1 . 2]" 1
1218 2 118 LEU H 2 118 LEU HG . . 5.490 3.828 2.031 5.181 . 0 0 "[ . 1 . 2]" 1
1219 2 119 ASP H 2 120 PRO QD . . 5.500 4.317 3.553 4.372 . 0 0 "[ . 1 . 2]" 1
1220 2 119 ASP H 2 121 THR MG . . 5.500 4.823 3.789 5.978 0.478 20 0 "[ . 1 . 2]" 1
1221 2 119 ASP HA 2 120 PRO QG . . 5.220 4.056 3.769 4.126 . 0 0 "[ . 1 . 2]" 1
1222 2 119 ASP HB2 2 120 PRO QD . . 5.060 3.530 3.406 4.126 . 0 0 "[ . 1 . 2]" 1
1223 2 119 ASP HB2 2 121 THR MG . . 5.500 3.189 2.509 4.366 . 0 0 "[ . 1 . 2]" 1
1224 2 119 ASP HB2 2 122 ALA H . . 5.380 4.741 2.626 5.387 0.007 7 0 "[ . 1 . 2]" 1
1225 2 119 ASP HB2 2 122 ALA MB . . 5.090 4.240 2.550 5.022 . 0 0 "[ . 1 . 2]" 1
1226 2 119 ASP HB3 2 120 PRO QG . . 4.930 3.651 3.491 5.033 0.103 20 0 "[ . 1 . 2]" 1
1227 2 119 ASP HB3 2 121 THR MG . . 4.980 2.428 1.977 3.495 . 0 0 "[ . 1 . 2]" 1
1228 2 119 ASP HB3 2 122 ALA MB . . 5.500 4.682 3.209 5.347 . 0 0 "[ . 1 . 2]" 1
1229 2 120 PRO HA 2 122 ALA H . . 4.380 3.660 3.387 4.669 0.289 20 0 "[ . 1 . 2]" 1
1230 2 120 PRO QD 2 121 THR H . . 4.450 2.724 2.606 2.832 . 0 0 "[ . 1 . 2]" 1
1231 2 120 PRO QD 2 122 ALA H . . 5.480 4.906 3.737 5.277 . 0 0 "[ . 1 . 2]" 1
1232 2 120 PRO QG 2 121 THR MG . . 5.130 3.452 2.552 4.311 . 0 0 "[ . 1 . 2]" 1
1233 2 121 THR H 2 121 THR HB . . 4.210 2.967 2.624 3.673 . 0 0 "[ . 1 . 2]" 1
1234 2 121 THR H 2 121 THR MG . . 3.940 2.052 1.905 2.263 . 0 0 "[ . 1 . 2]" 1
1235 2 121 THR H 2 122 ALA H . . 3.850 2.873 1.784 3.118 . 0 0 "[ . 1 . 2]" 1
1236 2 121 THR HB 2 122 ALA H . . 4.890 4.557 4.224 4.640 . 0 0 "[ . 1 . 2]" 1
1237 2 121 THR MG 2 122 ALA H . . 4.410 3.554 2.231 4.264 . 0 0 "[ . 1 . 2]" 1
1238 2 122 ALA H 2 123 ALA H . . 4.300 3.985 2.907 4.358 0.058 13 0 "[ . 1 . 2]" 1
1239 2 122 ALA HA 2 123 ALA H . . 3.200 2.327 2.152 2.813 . 0 0 "[ . 1 . 2]" 1
1240 2 122 ALA HA 2 123 ALA HA . . 4.520 4.447 4.402 4.535 0.015 17 0 "[ . 1 . 2]" 1
1241 2 122 ALA HA 2 123 ALA MB . . 5.500 4.229 4.055 4.613 . 0 0 "[ . 1 . 2]" 1
1242 2 122 ALA HA 2 124 ILE H . . 4.980 4.953 4.639 5.018 0.038 13 0 "[ . 1 . 2]" 1
1243 2 122 ALA MB 2 123 ALA H . . 5.030 3.581 3.366 3.717 . 0 0 "[ . 1 . 2]" 1
1244 2 123 ALA H 2 123 ALA MB . . 3.430 2.362 2.223 2.446 . 0 0 "[ . 1 . 2]" 1
1245 2 123 ALA H 2 124 ILE H . . 4.310 3.969 3.853 4.135 . 0 0 "[ . 1 . 2]" 1
1246 2 123 ALA HA 2 124 ILE HB . . 4.920 4.664 4.528 4.823 . 0 0 "[ . 1 . 2]" 1
1247 2 123 ALA MB 2 124 ILE H . . 4.420 3.574 3.521 3.605 . 0 0 "[ . 1 . 2]" 1
1248 2 123 ALA MB 2 124 ILE HB . . 5.500 5.343 5.220 5.485 . 0 0 "[ . 1 . 2]" 1
1249 2 124 ILE H 2 124 ILE HB . . 4.090 2.544 2.372 2.793 . 0 0 "[ . 1 . 2]" 1
1250 2 124 ILE H 2 124 ILE MD . . 5.360 3.738 3.016 4.253 . 0 0 "[ . 1 . 2]" 1
1251 2 124 ILE H 2 124 ILE QG . . 4.340 3.311 2.118 4.178 . 0 0 "[ . 1 . 2]" 1
1252 2 124 ILE MD 2 125 VAL H . . 5.340 2.974 1.868 4.643 . 0 0 "[ . 1 . 2]" 1
1253 2 124 ILE MD 2 125 VAL QG . . 5.500 3.760 2.877 5.201 . 0 0 "[ . 1 . 2]" 1
1254 2 124 ILE MG 2 125 VAL H . . 4.970 2.852 2.151 3.632 . 0 0 "[ . 1 . 2]" 1
1255 2 125 VAL H 2 126 SER H . . 4.660 4.445 4.355 4.515 . 0 0 "[ . 1 . 2]" 1
1256 2 125 VAL HB 2 126 SER H . . 4.140 2.475 1.931 3.787 . 0 0 "[ . 1 . 2]" 1
1257 2 125 VAL HB 2 126 SER HA . . 4.690 4.689 4.415 5.783 1.093 17 1 "[ . 1 . + 2]" 1
1258 2 125 VAL HB 2 126 SER QB . . 5.270 4.590 4.208 5.700 0.430 17 0 "[ . 1 . 2]" 1
1259 2 125 VAL QG 2 126 SER H . . 5.420 3.019 1.916 3.394 . 0 0 "[ . 1 . 2]" 1
1260 2 125 VAL QG 2 127 SER H . . 5.500 4.679 3.897 5.329 . 0 0 "[ . 1 . 2]" 1
1261 2 126 SER HA 2 127 SER HA . . 4.530 4.339 4.289 4.398 . 0 0 "[ . 1 . 2]" 1
1262 2 126 SER HA 2 127 SER QB . . 5.290 4.186 3.986 4.547 . 0 0 "[ . 1 . 2]" 1
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