NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571467 |
2maj   |
19362 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2maj
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 2087
_Distance_constraint_stats_list.Viol_count 4512
_Distance_constraint_stats_list.Viol_total 4875.211
_Distance_constraint_stats_list.Viol_max 0.643
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_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 2 SER 0.270 0.102 18 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 1.667 0.210 17 0 "[ . 1 . 2]"
1 5 ALA 2.365 0.168 14 0 "[ . 1 . 2]"
1 6 SER 1.304 0.168 14 0 "[ . 1 . 2]"
1 7 SER 0.240 0.042 14 0 "[ . 1 . 2]"
1 8 ARG 0.509 0.114 1 0 "[ . 1 . 2]"
1 9 GLN 0.644 0.096 15 0 "[ . 1 . 2]"
1 10 LYS 1.685 0.181 5 0 "[ . 1 . 2]"
1 11 TYR 4.164 0.400 9 0 "[ . 1 . 2]"
1 12 ALA 0.178 0.032 1 0 "[ . 1 . 2]"
1 13 GLU 0.233 0.070 20 0 "[ . 1 . 2]"
1 14 GLU 0.960 0.120 20 0 "[ . 1 . 2]"
1 15 GLU 0.011 0.011 1 0 "[ . 1 . 2]"
1 16 LEU 3.668 0.184 10 0 "[ . 1 . 2]"
1 17 GLU 4.156 0.184 10 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 6.529 0.177 11 0 "[ . 1 . 2]"
1 20 ARG 5.735 0.202 13 0 "[ . 1 . 2]"
1 21 GLU 1.556 0.096 16 0 "[ . 1 . 2]"
1 22 ALA 2.312 0.130 16 0 "[ . 1 . 2]"
1 23 LEU 10.188 0.267 16 0 "[ . 1 . 2]"
1 24 ARG 8.867 0.154 17 0 "[ . 1 . 2]"
1 25 LYS 4.255 0.332 18 0 "[ . 1 . 2]"
1 26 ALA 0.410 0.068 17 0 "[ . 1 . 2]"
1 27 GLU 2.151 0.094 1 0 "[ . 1 . 2]"
1 28 LYS 0.451 0.105 7 0 "[ . 1 . 2]"
1 29 GLU 5.501 0.213 20 0 "[ . 1 . 2]"
1 30 LEU 14.434 0.273 3 0 "[ . 1 . 2]"
1 31 GLU 2.985 0.124 12 0 "[ . 1 . 2]"
1 32 SER 0.766 0.070 17 0 "[ . 1 . 2]"
1 33 HIS 4.657 0.213 20 0 "[ . 1 . 2]"
1 34 SER 2.374 0.099 5 0 "[ . 1 . 2]"
1 35 SER 0.048 0.021 11 0 "[ . 1 . 2]"
1 36 TRP 0.355 0.137 13 0 "[ . 1 . 2]"
1 37 TYR 5.175 0.184 4 0 "[ . 1 . 2]"
1 38 ALA 3.812 0.167 16 0 "[ . 1 . 2]"
1 39 PRO 3.921 0.126 3 0 "[ . 1 . 2]"
1 40 GLU 0.426 0.107 18 0 "[ . 1 . 2]"
1 41 ALA 0.737 0.067 5 0 "[ . 1 . 2]"
1 42 LEU 8.730 0.163 19 0 "[ . 1 . 2]"
1 43 GLN 6.246 0.144 9 0 "[ . 1 . 2]"
1 44 LYS 1.687 0.107 18 0 "[ . 1 . 2]"
1 45 TRP 8.955 0.273 3 0 "[ . 1 . 2]"
1 46 LEU 1.278 0.134 6 0 "[ . 1 . 2]"
1 47 GLN 1.103 0.096 17 0 "[ . 1 . 2]"
1 48 LEU 1.347 0.124 1 0 "[ . 1 . 2]"
1 49 THR 2.282 0.078 10 0 "[ . 1 . 2]"
1 50 HIS 1.452 0.084 9 0 "[ . 1 . 2]"
1 51 GLU 1.263 0.103 19 0 "[ . 1 . 2]"
1 52 VAL 4.987 0.643 9 5 "[ **. * +1 - 2]"
1 53 GLU 2.166 0.113 10 0 "[ . 1 . 2]"
1 54 VAL 4.048 0.095 6 0 "[ . 1 . 2]"
1 55 GLN 0.391 0.073 7 0 "[ . 1 . 2]"
1 56 TYR 5.124 0.643 9 5 "[ **. * +1 - 2]"
1 57 TYR 3.401 0.144 6 0 "[ . 1 . 2]"
1 58 ASN 0.374 0.052 10 0 "[ . 1 . 2]"
1 59 ILE 5.607 0.146 17 0 "[ . 1 . 2]"
1 60 LYS 0.315 0.027 10 0 "[ . 1 . 2]"
1 61 LYS 6.837 0.143 7 0 "[ . 1 . 2]"
1 62 GLN 1.364 0.070 2 0 "[ . 1 . 2]"
1 63 ASN 2.631 0.146 17 0 "[ . 1 . 2]"
1 64 ALA 1.467 0.100 7 0 "[ . 1 . 2]"
1 65 GLU 1.171 0.083 2 0 "[ . 1 . 2]"
1 66 LYS 2.519 0.160 8 0 "[ . 1 . 2]"
1 67 GLN 2.564 0.123 4 0 "[ . 1 . 2]"
1 68 LEU 8.064 0.137 3 0 "[ . 1 . 2]"
1 69 LEU 2.949 0.160 8 0 "[ . 1 . 2]"
1 70 VAL 2.289 0.102 11 0 "[ . 1 . 2]"
1 71 ALA 3.731 0.126 20 0 "[ . 1 . 2]"
1 72 LYS 4.270 0.139 16 0 "[ . 1 . 2]"
1 73 GLU 2.017 0.107 16 0 "[ . 1 . 2]"
1 74 GLY 0.224 0.050 2 0 "[ . 1 . 2]"
1 75 ALA 3.466 0.170 8 0 "[ . 1 . 2]"
1 76 GLU 1.195 0.096 6 0 "[ . 1 . 2]"
1 77 LYS 1.026 0.105 16 0 "[ . 1 . 2]"
1 78 ILE 7.585 0.170 8 0 "[ . 1 . 2]"
1 79 LYS 6.704 0.164 4 0 "[ . 1 . 2]"
1 80 LYS 0.523 0.104 6 0 "[ . 1 . 2]"
1 81 LYS 0.529 0.116 10 0 "[ . 1 . 2]"
1 82 ARG 0.422 0.116 10 0 "[ . 1 . 2]"
2 2 SER 0.250 0.041 18 0 "[ . 1 . 2]"
2 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 MET 1.653 0.212 17 0 "[ . 1 . 2]"
2 5 ALA 2.401 0.193 14 0 "[ . 1 . 2]"
2 6 SER 1.448 0.193 14 0 "[ . 1 . 2]"
2 7 SER 0.269 0.066 4 0 "[ . 1 . 2]"
2 8 ARG 0.471 0.134 1 0 "[ . 1 . 2]"
2 9 GLN 0.538 0.100 20 0 "[ . 1 . 2]"
2 10 LYS 1.766 0.179 12 0 "[ . 1 . 2]"
2 11 TYR 3.710 0.400 19 0 "[ . 1 . 2]"
2 12 ALA 0.260 0.035 1 0 "[ . 1 . 2]"
2 13 GLU 0.205 0.035 1 0 "[ . 1 . 2]"
2 14 GLU 1.078 0.113 20 0 "[ . 1 . 2]"
2 15 GLU 0.001 0.001 1 0 "[ . 1 . 2]"
2 16 LEU 3.809 0.174 1 0 "[ . 1 . 2]"
2 17 GLU 4.100 0.174 1 0 "[ . 1 . 2]"
2 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 VAL 6.358 0.130 16 0 "[ . 1 . 2]"
2 20 ARG 6.498 0.267 16 0 "[ . 1 . 2]"
2 21 GLU 1.482 0.107 16 0 "[ . 1 . 2]"
2 22 ALA 2.469 0.140 16 0 "[ . 1 . 2]"
2 23 LEU 4.881 0.202 13 0 "[ . 1 . 2]"
2 24 ARG 6.276 0.158 17 0 "[ . 1 . 2]"
2 25 LYS 4.207 0.323 18 0 "[ . 1 . 2]"
2 26 ALA 0.491 0.087 20 0 "[ . 1 . 2]"
2 27 GLU 2.396 0.109 5 0 "[ . 1 . 2]"
2 28 LYS 0.459 0.124 7 0 "[ . 1 . 2]"
2 29 GLU 5.393 0.207 20 0 "[ . 1 . 2]"
2 30 LEU 14.124 0.271 17 0 "[ . 1 . 2]"
2 31 GLU 2.086 0.124 7 0 "[ . 1 . 2]"
2 32 SER 0.780 0.071 6 0 "[ . 1 . 2]"
2 33 HIS 4.653 0.207 20 0 "[ . 1 . 2]"
2 34 SER 2.356 0.093 5 0 "[ . 1 . 2]"
2 35 SER 0.040 0.030 11 0 "[ . 1 . 2]"
2 36 TRP 0.340 0.128 13 0 "[ . 1 . 2]"
2 37 TYR 5.459 0.170 16 0 "[ . 1 . 2]"
2 38 ALA 3.718 0.157 7 0 "[ . 1 . 2]"
2 39 PRO 3.250 0.122 5 0 "[ . 1 . 2]"
2 40 GLU 0.472 0.097 18 0 "[ . 1 . 2]"
2 41 ALA 0.715 0.090 3 0 "[ . 1 . 2]"
2 42 LEU 8.893 0.139 16 0 "[ . 1 . 2]"
2 43 GLN 5.834 0.157 7 0 "[ . 1 . 2]"
2 44 LYS 1.726 0.114 4 0 "[ . 1 . 2]"
2 45 TRP 8.211 0.271 17 0 "[ . 1 . 2]"
2 46 LEU 1.258 0.128 6 0 "[ . 1 . 2]"
2 47 GLN 1.140 0.114 4 0 "[ . 1 . 2]"
2 48 LEU 1.209 0.120 1 0 "[ . 1 . 2]"
2 49 THR 1.988 0.087 10 0 "[ . 1 . 2]"
2 50 HIS 1.469 0.084 5 0 "[ . 1 . 2]"
2 51 GLU 1.230 0.098 19 0 "[ . 1 . 2]"
2 52 VAL 1.565 0.073 11 0 "[ . 1 . 2]"
2 53 GLU 2.148 0.124 9 0 "[ . 1 . 2]"
2 54 VAL 3.477 0.089 2 0 "[ . 1 . 2]"
2 55 GLN 0.435 0.073 11 0 "[ . 1 . 2]"
2 56 TYR 2.160 0.086 12 0 "[ . 1 . 2]"
2 57 TYR 3.424 0.143 7 0 "[ . 1 . 2]"
2 58 ASN 0.537 0.061 6 0 "[ . 1 . 2]"
2 59 ILE 5.627 0.140 20 0 "[ . 1 . 2]"
2 60 LYS 0.272 0.023 8 0 "[ . 1 . 2]"
2 61 LYS 7.137 0.144 6 0 "[ . 1 . 2]"
2 62 GLN 1.410 0.082 18 0 "[ . 1 . 2]"
2 63 ASN 2.731 0.133 17 0 "[ . 1 . 2]"
2 64 ALA 2.350 0.126 11 0 "[ . 1 . 2]"
2 65 GLU 1.186 0.074 5 0 "[ . 1 . 2]"
2 66 LYS 2.737 0.169 2 0 "[ . 1 . 2]"
2 67 GLN 6.195 0.160 20 0 "[ . 1 . 2]"
2 68 LEU 8.141 0.147 3 0 "[ . 1 . 2]"
2 69 LEU 2.849 0.169 2 0 "[ . 1 . 2]"
2 70 VAL 3.828 0.160 20 0 "[ . 1 . 2]"
2 71 ALA 3.861 0.131 3 0 "[ . 1 . 2]"
2 72 LYS 4.044 0.163 19 0 "[ . 1 . 2]"
2 73 GLU 2.099 0.097 10 0 "[ . 1 . 2]"
2 74 GLY 0.166 0.039 6 0 "[ . 1 . 2]"
2 75 ALA 3.481 0.173 8 0 "[ . 1 . 2]"
2 76 GLU 1.181 0.066 6 0 "[ . 1 . 2]"
2 77 LYS 1.008 0.089 16 0 "[ . 1 . 2]"
2 78 ILE 7.313 0.183 13 0 "[ . 1 . 2]"
2 79 LYS 6.580 0.183 13 0 "[ . 1 . 2]"
2 80 LYS 0.550 0.134 7 0 "[ . 1 . 2]"
2 81 LYS 0.496 0.125 16 0 "[ . 1 . 2]"
2 82 ARG 0.362 0.121 4 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 81 LYS HA 1 82 ARG H 3.220 . 3.220 2.256 1.982 3.336 0.116 10 0 "[ . 1 . 2]" 1
2 2 81 LYS HA 2 82 ARG H 3.220 . 3.220 2.223 2.034 3.283 0.063 10 0 "[ . 1 . 2]" 1
3 1 81 LYS H 1 82 ARG H 4.490 . 4.490 4.081 2.348 4.529 0.039 9 0 "[ . 1 . 2]" 1
4 2 81 LYS H 2 82 ARG H 4.490 . 4.490 4.126 2.293 4.519 0.029 17 0 "[ . 1 . 2]" 1
5 1 80 LYS HA 1 81 LYS H 3.360 . 3.360 2.461 2.088 3.464 0.104 6 0 "[ . 1 . 2]" 1
6 2 80 LYS HA 2 81 LYS H 3.360 . 3.360 2.403 2.062 3.459 0.099 6 0 "[ . 1 . 2]" 1
7 1 29 GLU H 1 32 SER QB 4.740 . 4.740 4.758 4.598 4.810 0.070 17 0 "[ . 1 . 2]" 1
8 2 29 GLU H 2 32 SER QB 4.740 . 4.740 4.756 4.498 4.811 0.071 6 0 "[ . 1 . 2]" 1
9 1 79 LYS HB3 1 80 LYS H 3.880 . 3.880 3.546 2.127 3.954 0.074 13 0 "[ . 1 . 2]" 1
10 2 79 LYS HB3 2 80 LYS H 3.880 . 3.880 3.564 2.156 4.014 0.134 7 0 "[ . 1 . 2]" 1
11 1 80 LYS H 1 80 LYS QG 4.290 . 4.290 3.738 2.452 4.245 . 0 0 "[ . 1 . 2]" 1
12 2 80 LYS H 2 80 LYS QG 4.290 . 4.290 3.750 2.545 4.231 . 0 0 "[ . 1 . 2]" 1
13 1 76 GLU HA 1 79 LYS H 3.390 . 3.390 3.251 2.858 3.480 0.090 10 0 "[ . 1 . 2]" 1
14 2 76 GLU HA 2 79 LYS H 3.390 . 3.390 3.256 2.970 3.448 0.058 10 0 "[ . 1 . 2]" 1
15 1 79 LYS H 1 79 LYS HG2 4.840 . 4.840 4.334 4.212 4.420 . 0 0 "[ . 1 . 2]" 1
16 2 79 LYS H 2 79 LYS HG2 4.840 . 4.840 4.339 4.228 4.517 . 0 0 "[ . 1 . 2]" 1
17 1 77 LYS H 1 78 ILE H 3.510 . 3.510 2.526 2.414 2.639 . 0 0 "[ . 1 . 2]" 1
18 2 77 LYS H 2 78 ILE H 3.510 . 3.510 2.544 2.413 2.653 . 0 0 "[ . 1 . 2]" 1
19 1 77 LYS HA 1 78 ILE H 3.510 . 3.510 3.502 3.434 3.535 0.025 19 0 "[ . 1 . 2]" 1
20 2 77 LYS HA 2 78 ILE H 3.510 . 3.510 3.504 3.454 3.540 0.030 19 0 "[ . 1 . 2]" 1
21 1 78 ILE H 1 78 ILE HG12 3.420 . 3.420 2.295 2.130 2.454 . 0 0 "[ . 1 . 2]" 1
22 2 78 ILE H 2 78 ILE HG12 3.420 . 3.420 2.302 2.204 2.447 . 0 0 "[ . 1 . 2]" 1
23 1 78 ILE H 1 78 ILE HG13 3.550 . 3.550 2.972 2.779 3.083 . 0 0 "[ . 1 . 2]" 1
24 2 78 ILE H 2 78 ILE HG13 3.550 . 3.550 2.963 2.795 3.088 . 0 0 "[ . 1 . 2]" 1
25 1 78 ILE H 1 78 ILE MG 3.590 . 3.590 2.383 2.189 2.614 . 0 0 "[ . 1 . 2]" 1
26 2 78 ILE H 2 78 ILE MG 3.590 . 3.590 2.397 2.225 2.605 . 0 0 "[ . 1 . 2]" 1
27 1 76 GLU QB 1 77 LYS H 4.240 . 4.240 3.129 2.647 3.380 . 0 0 "[ . 1 . 2]" 1
28 2 76 GLU QB 2 77 LYS H 4.240 . 4.240 3.114 2.733 3.393 . 0 0 "[ . 1 . 2]" 1
29 1 77 LYS H 1 77 LYS QB 3.020 . 3.020 2.312 2.049 2.581 . 0 0 "[ . 1 . 2]" 1
30 2 77 LYS H 2 77 LYS QB 3.020 . 3.020 2.308 2.062 2.568 . 0 0 "[ . 1 . 2]" 1
31 1 44 LYS H 1 44 LYS QG 4.370 . 4.370 3.276 2.450 4.042 . 0 0 "[ . 1 . 2]" 1
32 2 44 LYS H 2 44 LYS QG 4.370 . 4.370 3.271 2.448 4.043 . 0 0 "[ . 1 . 2]" 1
33 1 76 GLU H 1 77 LYS H 3.390 . 3.390 2.558 2.454 2.682 . 0 0 "[ . 1 . 2]" 1
34 2 76 GLU H 2 77 LYS H 3.390 . 3.390 2.553 2.412 2.653 . 0 0 "[ . 1 . 2]" 1
35 1 76 GLU H 1 76 GLU HG2 3.780 . 3.780 2.978 2.158 3.557 . 0 0 "[ . 1 . 2]" 1
36 2 76 GLU H 2 76 GLU HG2 3.780 . 3.780 2.987 2.085 3.559 . 0 0 "[ . 1 . 2]" 1
37 1 75 ALA MB 1 76 GLU H 3.490 . 3.490 2.459 2.355 2.593 . 0 0 "[ . 1 . 2]" 1
38 2 75 ALA MB 2 76 GLU H 3.490 . 3.490 2.446 2.314 2.579 . 0 0 "[ . 1 . 2]" 1
39 1 75 ALA H 1 76 GLU H 3.790 . 3.790 2.756 2.642 2.850 . 0 0 "[ . 1 . 2]" 1
40 2 75 ALA H 2 76 GLU H 3.790 . 3.790 2.755 2.660 2.840 . 0 0 "[ . 1 . 2]" 1
41 1 21 GLU QG 1 22 ALA H 4.670 . 4.670 4.099 3.845 4.399 . 0 0 "[ . 1 . 2]" 1
42 2 21 GLU QG 2 22 ALA H 4.670 . 4.670 4.109 3.843 4.405 . 0 0 "[ . 1 . 2]" 1
43 1 73 GLU QB 1 75 ALA H 5.140 . 5.140 4.679 4.556 4.759 . 0 0 "[ . 1 . 2]" 1
44 2 73 GLU QB 2 75 ALA H 5.140 . 5.140 4.665 4.528 4.779 . 0 0 "[ . 1 . 2]" 1
45 1 75 ALA H 1 76 GLU QB 5.440 . 5.440 4.932 4.711 5.146 . 0 0 "[ . 1 . 2]" 1
46 2 75 ALA H 2 76 GLU QB 5.440 . 5.440 4.932 4.665 5.137 . 0 0 "[ . 1 . 2]" 1
47 1 22 ALA H 1 23 LEU QB 4.860 . 4.860 4.441 4.313 4.623 . 0 0 "[ . 1 . 2]" 1
48 2 22 ALA H 2 23 LEU QB 4.860 . 4.860 4.439 4.319 4.614 . 0 0 "[ . 1 . 2]" 1
49 1 75 ALA H 1 77 LYS QB 5.250 . 5.250 4.870 4.507 5.236 . 0 0 "[ . 1 . 2]" 1
50 2 75 ALA H 2 77 LYS QB 5.250 . 5.250 4.838 4.434 5.211 . 0 0 "[ . 1 . 2]" 1
51 1 75 ALA H 1 75 ALA MB 2.820 . 2.820 2.254 2.225 2.280 . 0 0 "[ . 1 . 2]" 1
52 2 75 ALA H 2 75 ALA MB 2.820 . 2.820 2.250 2.226 2.280 . 0 0 "[ . 1 . 2]" 1
53 1 73 GLU QB 1 74 GLY H 4.060 . 4.060 2.417 2.274 2.589 . 0 0 "[ . 1 . 2]" 1
54 2 73 GLU QB 2 74 GLY H 4.060 . 4.060 2.411 2.256 2.565 . 0 0 "[ . 1 . 2]" 1
55 1 72 LYS H 1 73 GLU H 3.000 . 3.000 2.761 2.698 2.825 . 0 0 "[ . 1 . 2]" 1
56 2 72 LYS H 2 73 GLU H 3.000 . 3.000 2.765 2.702 2.823 . 0 0 "[ . 1 . 2]" 1
57 1 71 ALA H 1 73 GLU H 4.470 . 4.470 4.215 4.142 4.316 . 0 0 "[ . 1 . 2]" 1
58 2 71 ALA H 2 73 GLU H 4.470 . 4.470 4.221 4.118 4.331 . 0 0 "[ . 1 . 2]" 1
59 1 73 GLU H 1 74 GLY QA 4.610 . 4.610 4.584 4.518 4.641 0.031 6 0 "[ . 1 . 2]" 1
60 2 73 GLU H 2 74 GLY QA 4.610 . 4.610 4.585 4.498 4.626 0.016 2 0 "[ . 1 . 2]" 1
61 1 73 GLU H 1 73 GLU HG3 3.460 . 3.460 3.207 2.169 3.567 0.107 16 0 "[ . 1 . 2]" 1
62 2 73 GLU H 2 73 GLU HG3 3.460 . 3.460 3.191 2.138 3.548 0.088 16 0 "[ . 1 . 2]" 1
63 1 73 GLU H 1 73 GLU QB 2.780 . 2.780 2.369 2.245 2.535 . 0 0 "[ . 1 . 2]" 1
64 2 73 GLU H 2 73 GLU QB 2.780 . 2.780 2.361 2.222 2.521 . 0 0 "[ . 1 . 2]" 1
65 1 72 LYS QB 1 73 GLU H 3.580 . 3.580 2.312 2.144 2.505 . 0 0 "[ . 1 . 2]" 1
66 2 72 LYS QB 2 73 GLU H 3.580 . 3.580 2.303 2.132 2.503 . 0 0 "[ . 1 . 2]" 1
67 1 72 LYS QD 1 73 GLU H 4.050 . 4.050 2.976 2.830 3.158 . 0 0 "[ . 1 . 2]" 1
68 2 72 LYS QD 2 73 GLU H 4.050 . 4.050 2.965 2.803 3.130 . 0 0 "[ . 1 . 2]" 1
69 1 71 ALA MB 1 73 GLU H 5.140 . 5.140 4.630 4.484 4.732 . 0 0 "[ . 1 . 2]" 1
70 2 71 ALA MB 2 73 GLU H 5.140 . 5.140 4.627 4.512 4.722 . 0 0 "[ . 1 . 2]" 1
71 1 72 LYS HG3 1 73 GLU H 5.490 . 5.490 4.689 4.494 4.909 . 0 0 "[ . 1 . 2]" 1
72 2 72 LYS HG3 2 73 GLU H 5.490 . 5.490 4.677 4.490 4.860 . 0 0 "[ . 1 . 2]" 1
73 1 71 ALA H 1 72 LYS H 3.540 . 3.540 2.559 2.490 2.649 . 0 0 "[ . 1 . 2]" 1
74 2 71 ALA H 2 72 LYS H 3.540 . 3.540 2.563 2.493 2.652 . 0 0 "[ . 1 . 2]" 1
75 1 68 LEU HA 1 72 LYS H 3.930 . 3.930 3.227 3.077 3.368 . 0 0 "[ . 1 . 2]" 1
76 2 68 LEU HA 2 72 LYS H 3.930 . 3.930 3.216 3.071 3.344 . 0 0 "[ . 1 . 2]" 1
77 1 72 LYS H 1 72 LYS QB 3.150 . 3.150 2.145 2.100 2.187 . 0 0 "[ . 1 . 2]" 1
78 2 72 LYS H 2 72 LYS QB 3.150 . 3.150 2.145 2.102 2.193 . 0 0 "[ . 1 . 2]" 1
79 1 71 ALA MB 1 72 LYS H 3.170 . 3.170 2.470 2.351 2.620 . 0 0 "[ . 1 . 2]" 1
80 2 71 ALA MB 2 72 LYS H 3.170 . 3.170 2.461 2.329 2.653 . 0 0 "[ . 1 . 2]" 1
81 1 42 LEU MD2 2 72 LYS H 4.140 . 4.140 3.325 3.169 3.450 . 0 0 "[ . 1 . 2]" 1
82 1 72 LYS H 2 42 LEU MD2 4.140 . 4.140 3.336 3.206 3.467 . 0 0 "[ . 1 . 2]" 1
83 1 52 VAL H 1 52 VAL MG1 4.690 . 4.690 3.731 3.699 3.796 . 0 0 "[ . 1 . 2]" 1
84 2 52 VAL H 2 52 VAL MG2 4.690 . 4.690 2.462 2.367 2.560 . 0 0 "[ . 1 . 2]" 1
85 1 34 SER QB 2 71 ALA H 4.950 . 4.950 4.510 4.311 4.691 . 0 0 "[ . 1 . 2]" 1
86 1 71 ALA H 2 34 SER QB 4.950 . 4.950 4.521 4.315 4.768 . 0 0 "[ . 1 . 2]" 1
87 1 70 VAL HB 1 71 ALA H 4.200 . 4.200 3.980 3.937 4.015 . 0 0 "[ . 1 . 2]" 1
88 2 70 VAL HB 2 71 ALA H 4.200 . 4.200 3.977 3.914 4.036 . 0 0 "[ . 1 . 2]" 1
89 1 71 ALA H 1 71 ALA MB 3.160 . 3.160 2.269 2.250 2.296 . 0 0 "[ . 1 . 2]" 1
90 2 71 ALA H 2 71 ALA MB 3.160 . 3.160 2.269 2.243 2.291 . 0 0 "[ . 1 . 2]" 1
91 1 70 VAL MG2 1 71 ALA H 3.880 . 3.880 2.378 2.313 2.435 . 0 0 "[ . 1 . 2]" 1
92 2 70 VAL MG2 2 71 ALA H 3.880 . 3.880 2.355 2.246 2.452 . 0 0 "[ . 1 . 2]" 1
93 1 66 LYS H 1 67 GLN H 3.110 . 3.110 2.630 2.538 2.743 . 0 0 "[ . 1 . 2]" 1
94 2 66 LYS H 2 67 GLN H 3.110 . 3.110 2.628 2.503 2.741 . 0 0 "[ . 1 . 2]" 1
95 1 69 LEU H 1 70 VAL H 3.390 . 3.390 2.806 2.751 2.877 . 0 0 "[ . 1 . 2]" 1
96 2 69 LEU H 2 70 VAL H 3.390 . 3.390 2.804 2.740 2.872 . 0 0 "[ . 1 . 2]" 1
97 1 77 LYS H 1 77 LYS QD 4.040 . 4.040 3.286 2.488 4.110 0.070 12 0 "[ . 1 . 2]" 1
98 2 77 LYS H 2 77 LYS QD 4.040 . 4.040 3.303 2.455 4.079 0.039 12 0 "[ . 1 . 2]" 1
99 1 70 VAL H 1 70 VAL MG2 3.770 . 3.770 2.181 2.064 2.324 . 0 0 "[ . 1 . 2]" 1
100 2 70 VAL H 2 70 VAL MG2 3.770 . 3.770 2.193 2.032 2.325 . 0 0 "[ . 1 . 2]" 1
101 1 69 LEU H 1 69 LEU QB 3.210 . 3.210 2.148 2.077 2.306 . 0 0 "[ . 1 . 2]" 1
102 2 69 LEU H 2 69 LEU QB 3.210 . 3.210 2.145 2.069 2.286 . 0 0 "[ . 1 . 2]" 1
103 1 29 GLU H 1 30 LEU H 4.090 . 4.090 2.730 2.631 2.796 . 0 0 "[ . 1 . 2]" 1
104 2 29 GLU H 2 30 LEU H 4.090 . 4.090 2.736 2.665 2.775 . 0 0 "[ . 1 . 2]" 1
105 1 67 GLN QB 1 68 LEU H 3.400 . 3.400 2.351 2.162 2.612 . 0 0 "[ . 1 . 2]" 1
106 2 67 GLN QB 2 68 LEU H 3.400 . 3.400 2.354 2.154 2.596 . 0 0 "[ . 1 . 2]" 1
107 1 68 LEU H 1 68 LEU QB 3.450 . 3.450 2.361 2.331 2.387 . 0 0 "[ . 1 . 2]" 1
108 2 68 LEU H 2 68 LEU QB 3.450 . 3.450 2.361 2.315 2.390 . 0 0 "[ . 1 . 2]" 1
109 1 68 LEU H 1 68 LEU HG 3.380 . 3.380 2.883 2.790 3.106 . 0 0 "[ . 1 . 2]" 1
110 2 68 LEU H 2 68 LEU HG 3.380 . 3.380 2.882 2.785 3.121 . 0 0 "[ . 1 . 2]" 1
111 1 69 LEU H 1 70 VAL MG1 5.090 . 5.090 4.307 4.233 4.425 . 0 0 "[ . 1 . 2]" 1
112 2 69 LEU H 2 70 VAL MG1 5.090 . 5.090 4.265 4.213 4.357 . 0 0 "[ . 1 . 2]" 1
113 1 67 GLN H 1 68 LEU H 3.090 . 3.090 2.818 2.711 2.945 . 0 0 "[ . 1 . 2]" 1
114 2 67 GLN H 2 68 LEU H 3.090 . 3.090 2.811 2.698 2.950 . 0 0 "[ . 1 . 2]" 1
115 2 67 GLN H 2 67 GLN HG3 4.400 . 4.400 4.304 3.896 4.448 0.048 11 0 "[ . 1 . 2]" 1
116 1 66 LYS QB 1 67 GLN H 3.810 . 3.810 2.634 2.503 2.845 . 0 0 "[ . 1 . 2]" 1
117 2 66 LYS QB 2 67 GLN H 3.810 . 3.810 2.656 2.475 2.891 . 0 0 "[ . 1 . 2]" 1
118 1 70 VAL H 1 70 VAL HB 3.930 . 3.930 3.665 3.635 3.689 . 0 0 "[ . 1 . 2]" 1
119 2 70 VAL H 2 70 VAL HB 3.930 . 3.930 3.662 3.637 3.686 . 0 0 "[ . 1 . 2]" 1
120 1 62 GLN HG2 1 63 ASN H 3.910 . 3.910 2.688 2.472 3.092 . 0 0 "[ . 1 . 2]" 1
121 2 62 GLN HG2 2 63 ASN H 3.910 . 3.910 2.694 2.534 3.010 . 0 0 "[ . 1 . 2]" 1
122 1 62 GLN QB 1 63 ASN H 3.640 . 3.640 3.515 3.444 3.608 . 0 0 "[ . 1 . 2]" 1
123 2 62 GLN QB 2 63 ASN H 3.640 . 3.640 3.516 3.450 3.599 . 0 0 "[ . 1 . 2]" 1
124 1 64 ALA MB 1 65 GLU H 3.760 . 3.760 2.420 2.380 2.460 . 0 0 "[ . 1 . 2]" 1
125 2 64 ALA MB 2 65 GLU H 3.760 . 3.760 2.431 2.389 2.508 . 0 0 "[ . 1 . 2]" 1
126 1 64 ALA H 1 64 ALA MB 3.410 . 3.410 2.214 2.199 2.230 . 0 0 "[ . 1 . 2]" 1
127 2 64 ALA H 2 64 ALA MB 3.410 . 3.410 2.215 2.193 2.245 . 0 0 "[ . 1 . 2]" 1
128 1 63 ASN H 1 63 ASN HB2 3.750 . 3.750 2.424 2.315 2.524 . 0 0 "[ . 1 . 2]" 1
129 2 63 ASN H 2 63 ASN HB2 3.750 . 3.750 2.425 2.233 2.545 . 0 0 "[ . 1 . 2]" 1
130 1 24 ARG H 1 25 LYS H 3.790 . 3.790 2.600 2.524 2.701 . 0 0 "[ . 1 . 2]" 1
131 2 24 ARG H 2 25 LYS H 3.790 . 3.790 2.621 2.529 2.734 . 0 0 "[ . 1 . 2]" 1
132 1 20 ARG HA 1 24 ARG H 4.470 . 4.470 4.225 4.107 4.354 . 0 0 "[ . 1 . 2]" 1
133 2 20 ARG HA 2 24 ARG H 4.470 . 4.470 4.218 4.097 4.320 . 0 0 "[ . 1 . 2]" 1
134 1 60 LYS H 1 60 LYS QD 4.680 . 4.680 4.247 4.154 4.338 . 0 0 "[ . 1 . 2]" 1
135 2 60 LYS H 2 60 LYS QD 4.680 . 4.680 4.237 4.165 4.317 . 0 0 "[ . 1 . 2]" 1
136 1 59 ILE MG 1 60 LYS H 5.100 . 5.100 2.355 2.272 2.481 . 0 0 "[ . 1 . 2]" 1
137 2 59 ILE MG 2 60 LYS H 5.100 . 5.100 2.360 2.242 2.473 . 0 0 "[ . 1 . 2]" 1
138 1 24 ARG HA 1 27 GLU H 4.480 . 4.480 3.176 3.057 3.295 . 0 0 "[ . 1 . 2]" 1
139 2 24 ARG HA 2 27 GLU H 4.480 . 4.480 3.223 3.135 3.331 . 0 0 "[ . 1 . 2]" 1
140 1 59 ILE HA 1 63 ASN H 4.290 . 4.290 3.989 3.924 4.060 . 0 0 "[ . 1 . 2]" 1
141 2 59 ILE HA 2 63 ASN H 4.290 . 4.290 3.980 3.877 4.030 . 0 0 "[ . 1 . 2]" 1
142 1 57 TYR H 1 57 TYR QB 3.750 . 3.750 2.242 2.197 2.284 . 0 0 "[ . 1 . 2]" 1
143 2 57 TYR H 2 57 TYR QB 3.750 . 3.750 2.239 2.192 2.286 . 0 0 "[ . 1 . 2]" 1
144 1 55 GLN H 1 56 TYR H 4.680 . 4.680 2.657 2.582 2.729 . 0 0 "[ . 1 . 2]" 1
145 2 55 GLN H 2 56 TYR H 4.680 . 4.680 2.649 2.594 2.690 . 0 0 "[ . 1 . 2]" 1
146 1 14 GLU H 1 17 GLU H 5.110 . 5.110 4.911 4.829 4.985 . 0 0 "[ . 1 . 2]" 1
147 2 14 GLU H 2 17 GLU H 5.110 . 5.110 4.902 4.823 4.983 . 0 0 "[ . 1 . 2]" 1
148 1 16 LEU H 1 17 GLU H 3.120 . 3.120 2.853 2.779 2.949 . 0 0 "[ . 1 . 2]" 1
149 2 16 LEU H 2 17 GLU H 3.120 . 3.120 2.853 2.775 2.953 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLU H 1 20 ARG QG 4.570 . 4.570 4.414 4.248 4.498 . 0 0 "[ . 1 . 2]" 1
151 2 17 GLU H 2 20 ARG QG 4.570 . 4.570 4.421 4.246 4.516 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLU H 1 19 VAL MG2 4.440 . 4.440 4.042 3.905 4.159 . 0 0 "[ . 1 . 2]" 1
153 2 17 GLU H 2 19 VAL MG2 4.440 . 4.440 4.031 3.915 4.119 . 0 0 "[ . 1 . 2]" 1
154 1 54 VAL MG2 1 55 GLN H 4.630 . 4.630 3.809 3.764 3.862 . 0 0 "[ . 1 . 2]" 1
155 1 54 VAL H 1 55 GLN H 2.800 . 2.800 2.582 2.513 2.630 . 0 0 "[ . 1 . 2]" 1
156 2 54 VAL H 2 55 GLN H 2.800 . 2.800 2.580 2.529 2.632 . 0 0 "[ . 1 . 2]" 1
157 1 43 GLN H 1 45 TRP HB3 4.680 . 4.680 4.669 4.493 4.734 0.054 4 0 "[ . 1 . 2]" 1
158 2 43 GLN H 2 45 TRP HB3 4.680 . 4.680 4.661 4.515 4.738 0.058 4 0 "[ . 1 . 2]" 1
159 1 43 GLN H 1 43 GLN QB 2.990 . 2.990 2.550 2.496 2.594 . 0 0 "[ . 1 . 2]" 1
160 2 43 GLN H 2 43 GLN QB 2.990 . 2.990 2.551 2.487 2.616 . 0 0 "[ . 1 . 2]" 1
161 1 20 ARG QB 1 21 GLU H 3.900 . 3.900 3.447 3.407 3.476 . 0 0 "[ . 1 . 2]" 1
162 2 20 ARG QB 2 21 GLU H 3.900 . 3.900 3.453 3.412 3.485 . 0 0 "[ . 1 . 2]" 1
163 1 50 HIS H 1 53 GLU H 4.690 . 4.690 4.607 4.550 4.661 . 0 0 "[ . 1 . 2]" 1
164 2 50 HIS H 2 53 GLU H 4.690 . 4.690 4.605 4.547 4.657 . 0 0 "[ . 1 . 2]" 1
165 1 52 VAL H 1 54 VAL H 4.100 . 4.100 3.987 3.933 4.034 . 0 0 "[ . 1 . 2]" 1
166 2 52 VAL H 2 54 VAL H 4.100 . 4.100 4.044 4.001 4.076 . 0 0 "[ . 1 . 2]" 1
167 1 43 GLN HG2 2 72 LYS H 5.500 . 5.500 4.285 4.089 4.402 . 0 0 "[ . 1 . 2]" 1
168 1 72 LYS H 2 43 GLN HG2 5.500 . 5.500 4.278 4.165 4.424 . 0 0 "[ . 1 . 2]" 1
169 1 52 VAL H 1 53 GLU HG2 5.500 . 5.500 4.314 4.168 4.426 . 0 0 "[ . 1 . 2]" 1
170 1 52 VAL H 1 52 VAL MG2 4.350 . 4.350 2.497 2.374 2.580 . 0 0 "[ . 1 . 2]" 1
171 2 52 VAL H 2 52 VAL MG1 4.690 . 4.690 3.724 3.694 3.789 . 0 0 "[ . 1 . 2]" 1
172 1 48 LEU HB3 1 49 THR H 4.520 . 4.520 3.235 3.132 3.400 . 0 0 "[ . 1 . 2]" 1
173 2 48 LEU HB3 2 49 THR H 4.520 . 4.520 3.246 3.171 3.397 . 0 0 "[ . 1 . 2]" 1
174 1 48 LEU H 1 48 LEU HB3 4.110 . 4.110 3.556 3.513 3.613 . 0 0 "[ . 1 . 2]" 1
175 2 48 LEU H 2 48 LEU HB3 4.110 . 4.110 3.555 3.516 3.609 . 0 0 "[ . 1 . 2]" 1
176 1 47 GLN H 1 47 GLN HB2 4.150 . 4.150 2.514 2.363 2.645 . 0 0 "[ . 1 . 2]" 1
177 2 47 GLN H 2 47 GLN HB2 4.150 . 4.150 2.482 2.361 2.613 . 0 0 "[ . 1 . 2]" 1
178 1 47 GLN H 1 47 GLN HB3 3.830 . 3.830 2.520 2.337 2.665 . 0 0 "[ . 1 . 2]" 1
179 2 47 GLN H 2 47 GLN HB3 3.830 . 3.830 2.532 2.439 2.650 . 0 0 "[ . 1 . 2]" 1
180 1 46 LEU HG 1 47 GLN H 5.320 . 5.320 4.594 4.314 5.203 . 0 0 "[ . 1 . 2]" 1
181 2 46 LEU HG 2 47 GLN H 5.320 . 5.320 4.571 4.303 5.180 . 0 0 "[ . 1 . 2]" 1
182 1 44 LYS QB 1 46 LEU H 5.310 . 5.310 4.979 4.782 5.080 . 0 0 "[ . 1 . 2]" 1
183 2 44 LYS QB 2 46 LEU H 5.310 . 5.310 4.971 4.788 5.091 . 0 0 "[ . 1 . 2]" 1
184 1 46 LEU H 1 46 LEU HG 5.070 . 5.070 4.300 3.265 4.639 . 0 0 "[ . 1 . 2]" 1
185 2 46 LEU H 2 46 LEU HG 5.070 . 5.070 4.354 3.267 4.635 . 0 0 "[ . 1 . 2]" 1
186 1 44 LYS QB 1 45 TRP H 4.540 . 4.540 2.619 2.344 2.871 . 0 0 "[ . 1 . 2]" 1
187 2 44 LYS QB 2 45 TRP H 4.540 . 4.540 2.606 2.307 2.878 . 0 0 "[ . 1 . 2]" 1
188 1 75 ALA H 1 77 LYS H 4.380 . 4.380 3.935 3.836 4.063 . 0 0 "[ . 1 . 2]" 1
189 2 75 ALA H 2 77 LYS H 4.380 . 4.380 3.934 3.806 4.073 . 0 0 "[ . 1 . 2]" 1
190 1 43 GLN H 1 45 TRP H 4.080 . 4.080 3.997 3.856 4.087 0.007 4 0 "[ . 1 . 2]" 1
191 2 43 GLN H 2 45 TRP H 4.080 . 4.080 4.000 3.869 4.075 . 0 0 "[ . 1 . 2]" 1
192 1 54 VAL H 1 56 TYR HB2 5.470 . 5.470 5.080 5.000 5.169 . 0 0 "[ . 1 . 2]" 1
193 2 54 VAL H 2 56 TYR HB2 5.470 . 5.470 5.081 5.013 5.214 . 0 0 "[ . 1 . 2]" 1
194 1 42 LEU MD2 1 43 GLN H 3.950 . 3.950 2.182 2.115 2.332 . 0 0 "[ . 1 . 2]" 1
195 2 42 LEU MD2 2 43 GLN H 3.950 . 3.950 2.179 2.135 2.287 . 0 0 "[ . 1 . 2]" 1
196 1 42 LEU H 1 42 LEU MD2 4.180 . 4.180 3.357 3.259 3.416 . 0 0 "[ . 1 . 2]" 1
197 2 42 LEU H 2 42 LEU MD2 4.180 . 4.180 3.347 3.278 3.382 . 0 0 "[ . 1 . 2]" 1
198 1 40 GLU H 1 41 ALA H 4.240 . 4.240 2.757 2.625 2.863 . 0 0 "[ . 1 . 2]" 1
199 2 40 GLU H 2 41 ALA H 4.240 . 4.240 2.754 2.609 2.823 . 0 0 "[ . 1 . 2]" 1
200 1 40 GLU QB 1 41 ALA H 4.770 . 4.770 2.889 2.694 3.166 . 0 0 "[ . 1 . 2]" 1
201 2 40 GLU QB 2 41 ALA H 4.770 . 4.770 2.895 2.704 3.135 . 0 0 "[ . 1 . 2]" 1
202 1 75 ALA MB 2 38 ALA H 3.510 . 3.510 3.559 3.510 3.597 0.087 1 0 "[ . 1 . 2]" 1
203 1 38 ALA H 2 75 ALA MB 3.510 . 3.510 3.557 3.509 3.587 0.077 11 0 "[ . 1 . 2]" 1
204 1 35 SER QB 1 36 TRP H 4.360 . 4.360 3.007 2.636 3.785 . 0 0 "[ . 1 . 2]" 1
205 2 35 SER QB 2 36 TRP H 4.360 . 4.360 2.991 2.737 3.812 . 0 0 "[ . 1 . 2]" 1
206 1 35 SER H 1 36 TRP QB 4.990 . 4.990 4.711 4.343 5.011 0.021 11 0 "[ . 1 . 2]" 1
207 2 35 SER H 2 36 TRP QB 4.990 . 4.990 4.713 4.399 5.020 0.030 11 0 "[ . 1 . 2]" 1
208 1 33 HIS HA 1 34 SER H 3.480 . 3.480 3.491 3.267 3.521 0.041 8 0 "[ . 1 . 2]" 1
209 2 33 HIS HA 2 34 SER H 3.480 . 3.480 3.493 3.307 3.528 0.048 12 0 "[ . 1 . 2]" 1
210 1 33 HIS H 1 34 SER HA 4.730 . 4.730 4.787 4.743 4.829 0.099 5 0 "[ . 1 . 2]" 1
211 2 33 HIS H 2 34 SER HA 4.730 . 4.730 4.790 4.744 4.823 0.093 5 0 "[ . 1 . 2]" 1
212 1 32 SER QB 1 33 HIS H 4.510 . 4.510 2.901 2.695 3.086 . 0 0 "[ . 1 . 2]" 1
213 2 32 SER QB 2 33 HIS H 4.510 . 4.510 2.904 2.765 3.070 . 0 0 "[ . 1 . 2]" 1
214 1 31 GLU HG3 1 33 HIS H 4.780 . 4.780 4.647 4.486 4.793 0.013 10 0 "[ . 1 . 2]" 1
215 2 31 GLU HG3 2 33 HIS H 4.780 . 4.780 4.635 4.476 4.787 0.007 10 0 "[ . 1 . 2]" 1
216 1 31 GLU HG2 1 33 HIS H 4.950 . 4.950 4.957 4.859 5.016 0.066 2 0 "[ . 1 . 2]" 1
217 2 31 GLU HG2 2 33 HIS H 4.950 . 4.950 4.961 4.853 5.005 0.055 2 0 "[ . 1 . 2]" 1
218 1 29 GLU HA 1 32 SER H 4.540 . 4.540 3.576 3.227 3.849 . 0 0 "[ . 1 . 2]" 1
219 2 29 GLU HA 2 32 SER H 4.540 . 4.540 3.574 3.221 3.828 . 0 0 "[ . 1 . 2]" 1
220 1 32 SER H 1 32 SER QB 3.860 . 3.860 2.351 2.193 2.467 . 0 0 "[ . 1 . 2]" 1
221 2 32 SER H 2 32 SER QB 3.860 . 3.860 2.333 2.189 2.505 . 0 0 "[ . 1 . 2]" 1
222 1 31 GLU QB 1 32 SER H 3.920 . 3.920 3.427 3.371 3.481 . 0 0 "[ . 1 . 2]" 1
223 2 31 GLU QB 2 32 SER H 3.920 . 3.920 3.427 3.360 3.510 . 0 0 "[ . 1 . 2]" 1
224 1 31 GLU H 2 67 GLN HG3 4.900 . 4.900 4.949 4.839 5.024 0.124 12 0 "[ . 1 . 2]" 1
225 1 30 LEU H 1 31 GLU H 3.940 . 3.940 2.966 2.877 3.057 . 0 0 "[ . 1 . 2]" 1
226 2 30 LEU H 2 31 GLU H 3.940 . 3.940 2.916 2.869 2.969 . 0 0 "[ . 1 . 2]" 1
227 1 30 LEU H 1 33 HIS H 5.040 . 5.040 4.658 4.557 4.755 . 0 0 "[ . 1 . 2]" 1
228 2 30 LEU H 2 33 HIS H 5.040 . 5.040 4.660 4.570 4.746 . 0 0 "[ . 1 . 2]" 1
229 1 30 LEU H 1 31 GLU HG2 4.480 . 4.480 4.273 4.165 4.418 . 0 0 "[ . 1 . 2]" 1
230 2 30 LEU H 2 31 GLU HG2 4.480 . 4.480 4.281 4.161 4.396 . 0 0 "[ . 1 . 2]" 1
231 1 30 LEU H 1 30 LEU HG 4.620 . 4.620 4.601 4.540 4.674 0.054 3 0 "[ . 1 . 2]" 1
232 2 30 LEU H 2 30 LEU HG 4.620 . 4.620 4.601 4.523 4.675 0.055 3 0 "[ . 1 . 2]" 1
233 1 29 GLU H 1 29 GLU QG 4.410 . 4.410 4.016 3.956 4.099 . 0 0 "[ . 1 . 2]" 1
234 2 29 GLU H 2 29 GLU QG 4.410 . 4.410 4.012 3.931 4.096 . 0 0 "[ . 1 . 2]" 1
235 1 30 LEU MD1 2 68 LEU H 5.500 . 5.500 3.879 3.628 4.497 . 0 0 "[ . 1 . 2]" 1
236 1 68 LEU H 2 30 LEU MD1 5.500 . 5.500 3.852 3.632 4.483 . 0 0 "[ . 1 . 2]" 1
237 1 30 LEU MD2 2 68 LEU H 5.500 . 5.500 5.575 5.403 5.610 0.110 16 0 "[ . 1 . 2]" 1
238 1 68 LEU H 2 30 LEU MD2 5.500 . 5.500 5.578 5.425 5.608 0.108 4 0 "[ . 1 . 2]" 1
239 1 27 GLU QG 1 28 LYS H 3.960 . 3.960 3.915 3.789 3.982 0.022 14 0 "[ . 1 . 2]" 1
240 2 27 GLU QG 2 28 LYS H 3.960 . 3.960 3.903 3.746 3.997 0.037 14 0 "[ . 1 . 2]" 1
241 1 28 LYS H 1 28 LYS QB 3.440 . 3.440 2.244 2.064 2.496 . 0 0 "[ . 1 . 2]" 1
242 2 28 LYS H 2 28 LYS QB 3.440 . 3.440 2.252 2.080 2.495 . 0 0 "[ . 1 . 2]" 1
243 1 28 LYS H 1 28 LYS QG 4.280 . 4.280 3.501 2.270 4.098 . 0 0 "[ . 1 . 2]" 1
244 2 28 LYS H 2 28 LYS QG 4.280 . 4.280 3.494 2.322 4.103 . 0 0 "[ . 1 . 2]" 1
245 1 25 LYS H 1 27 GLU H 4.640 . 4.640 4.117 4.017 4.247 . 0 0 "[ . 1 . 2]" 1
246 2 25 LYS H 2 27 GLU H 4.640 . 4.640 4.133 4.028 4.229 . 0 0 "[ . 1 . 2]" 1
247 1 63 ASN H 1 63 ASN HB3 3.730 . 3.730 2.836 2.542 3.633 . 0 0 "[ . 1 . 2]" 1
248 2 63 ASN H 2 63 ASN HB3 3.730 . 3.730 2.818 2.532 3.626 . 0 0 "[ . 1 . 2]" 1
249 1 27 GLU H 1 27 GLU QG 3.720 . 3.720 2.067 1.991 2.131 . 0 0 "[ . 1 . 2]" 1
250 2 27 GLU H 2 27 GLU QG 3.720 . 3.720 2.048 1.969 2.124 . 0 0 "[ . 1 . 2]" 1
251 1 27 GLU H 1 30 LEU QB 5.040 . 5.040 4.788 4.681 4.893 . 0 0 "[ . 1 . 2]" 1
252 2 27 GLU H 2 30 LEU QB 5.040 . 5.040 4.786 4.677 4.876 . 0 0 "[ . 1 . 2]" 1
253 1 25 LYS H 1 26 ALA H 3.690 . 3.690 2.753 2.641 2.891 . 0 0 "[ . 1 . 2]" 1
254 2 25 LYS H 2 26 ALA H 3.690 . 3.690 2.778 2.681 2.886 . 0 0 "[ . 1 . 2]" 1
255 1 26 ALA H 1 27 GLU QG 4.440 . 4.440 4.158 4.047 4.294 . 0 0 "[ . 1 . 2]" 1
256 2 26 ALA H 2 27 GLU QG 4.440 . 4.440 4.130 4.000 4.280 . 0 0 "[ . 1 . 2]" 1
257 1 26 ALA H 1 26 ALA MB 3.380 . 3.380 2.213 2.191 2.249 . 0 0 "[ . 1 . 2]" 1
258 2 26 ALA H 2 26 ALA MB 3.380 . 3.380 2.216 2.187 2.256 . 0 0 "[ . 1 . 2]" 1
259 1 22 ALA HA 1 25 LYS H 4.620 . 4.620 3.458 3.305 3.573 . 0 0 "[ . 1 . 2]" 1
260 2 22 ALA HA 2 25 LYS H 4.620 . 4.620 3.461 3.311 3.578 . 0 0 "[ . 1 . 2]" 1
261 1 25 LYS H 1 27 GLU QG 5.150 . 5.150 5.045 4.808 5.193 0.043 16 0 "[ . 1 . 2]" 1
262 2 25 LYS H 2 27 GLU QG 5.150 . 5.150 5.031 4.784 5.189 0.039 16 0 "[ . 1 . 2]" 1
263 1 24 ARG QB 1 25 LYS H 4.080 . 4.080 2.462 2.353 2.633 . 0 0 "[ . 1 . 2]" 1
264 2 24 ARG QB 2 25 LYS H 4.080 . 4.080 2.441 2.331 2.612 . 0 0 "[ . 1 . 2]" 1
265 1 10 LYS QB 1 11 TYR H 4.160 . 4.160 2.348 2.106 2.574 . 0 0 "[ . 1 . 2]" 1
266 2 10 LYS QB 2 11 TYR H 4.160 . 4.160 2.351 2.110 2.625 . 0 0 "[ . 1 . 2]" 1
267 1 24 ARG H 1 24 ARG QD 5.060 . 5.060 3.158 2.562 3.379 . 0 0 "[ . 1 . 2]" 1
268 2 24 ARG H 2 24 ARG QD 5.060 . 5.060 3.210 2.556 3.434 . 0 0 "[ . 1 . 2]" 1
269 1 24 ARG H 1 24 ARG QB 3.440 . 3.440 2.458 2.416 2.513 . 0 0 "[ . 1 . 2]" 1
270 2 24 ARG H 2 24 ARG QB 3.440 . 3.440 2.471 2.424 2.524 . 0 0 "[ . 1 . 2]" 1
271 1 22 ALA MB 1 24 ARG H 4.830 . 4.830 4.662 4.604 4.709 . 0 0 "[ . 1 . 2]" 1
272 2 22 ALA MB 2 24 ARG H 4.830 . 4.830 4.681 4.630 4.738 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU MD2 1 24 ARG H 4.880 . 4.880 4.796 4.737 4.870 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL HB 2 23 LEU H 4.590 . 4.590 3.520 3.418 3.661 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU H 2 19 VAL HB 4.590 . 4.590 3.498 3.412 3.610 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA MB 1 23 LEU H 4.030 . 4.030 2.519 2.449 2.649 . 0 0 "[ . 1 . 2]" 1
277 2 22 ALA MB 2 23 LEU H 4.030 . 4.030 2.528 2.441 2.681 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU H 1 23 LEU MD2 4.480 . 4.480 3.840 3.792 3.897 . 0 0 "[ . 1 . 2]" 1
279 2 23 LEU H 2 23 LEU MD1 5.010 . 5.010 4.295 4.247 4.359 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU H 1 23 LEU MD1 5.010 . 5.010 4.293 4.244 4.345 . 0 0 "[ . 1 . 2]" 1
281 2 23 LEU H 2 23 LEU MD2 5.010 . 5.010 3.842 3.764 3.914 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLU QB 1 22 ALA H 3.940 . 3.940 2.689 2.376 3.064 . 0 0 "[ . 1 . 2]" 1
283 2 21 GLU QB 2 22 ALA H 3.940 . 3.940 2.697 2.311 3.034 . 0 0 "[ . 1 . 2]" 1
284 1 53 GLU HG2 1 54 VAL H 3.280 . 3.280 2.888 2.751 3.022 . 0 0 "[ . 1 . 2]" 1
285 1 54 VAL H 1 54 VAL MG2 3.790 . 3.790 2.094 2.056 2.138 . 0 0 "[ . 1 . 2]" 1
286 1 19 VAL H 1 20 ARG H 4.430 . 4.430 2.838 2.792 2.894 . 0 0 "[ . 1 . 2]" 1
287 2 19 VAL H 2 20 ARG H 4.430 . 4.430 2.845 2.792 2.897 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU HA 1 20 ARG H 4.650 . 4.650 4.081 4.015 4.169 . 0 0 "[ . 1 . 2]" 1
289 2 16 LEU HA 2 20 ARG H 4.650 . 4.650 4.088 4.026 4.150 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL HB 1 20 ARG H 4.630 . 4.630 3.627 3.527 3.685 . 0 0 "[ . 1 . 2]" 1
291 2 19 VAL HB 2 20 ARG H 4.630 . 4.630 3.624 3.578 3.673 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL MG2 1 20 ARG H 4.430 . 4.430 1.999 1.922 2.046 . 0 0 "[ . 1 . 2]" 1
293 2 19 VAL MG2 2 20 ARG H 4.430 . 4.430 2.012 1.944 2.058 . 0 0 "[ . 1 . 2]" 1
294 1 19 VAL H 1 20 ARG QG 4.200 . 4.200 4.203 4.057 4.240 0.040 2 0 "[ . 1 . 2]" 1
295 2 19 VAL H 2 20 ARG QG 4.200 . 4.200 4.196 4.064 4.230 0.030 16 0 "[ . 1 . 2]" 1
296 1 19 VAL H 1 19 VAL MG1 4.570 . 4.570 2.178 2.126 2.257 . 0 0 "[ . 1 . 2]" 1
297 2 19 VAL H 2 19 VAL MG1 4.570 . 4.570 2.170 2.102 2.279 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLN H 1 19 VAL H 3.960 . 3.960 2.813 2.716 2.896 . 0 0 "[ . 1 . 2]" 1
299 2 18 GLN H 2 19 VAL H 3.960 . 3.960 2.810 2.728 2.903 . 0 0 "[ . 1 . 2]" 1
300 1 55 GLN H 1 55 GLN QG 4.080 . 4.080 4.018 3.913 4.062 . 0 0 "[ . 1 . 2]" 1
301 2 55 GLN H 2 55 GLN QG 4.080 . 4.080 4.014 3.928 4.053 . 0 0 "[ . 1 . 2]" 1
302 1 54 VAL HB 1 55 GLN H 4.040 . 4.040 2.714 2.626 2.785 . 0 0 "[ . 1 . 2]" 1
303 2 54 VAL HB 2 55 GLN H 4.040 . 4.040 2.724 2.634 2.829 . 0 0 "[ . 1 . 2]" 1
304 2 15 GLU HB2 2 16 LEU H 4.690 . 4.690 2.676 2.251 3.082 . 0 0 "[ . 1 . 2]" 1
305 1 12 ALA HA 1 15 GLU H 4.840 . 4.840 3.642 3.256 3.839 . 0 0 "[ . 1 . 2]" 1
306 2 12 ALA HA 2 15 GLU H 4.840 . 4.840 3.649 3.268 3.871 . 0 0 "[ . 1 . 2]" 1
307 1 15 GLU H 1 15 GLU QG 3.650 . 3.650 2.388 2.197 2.547 . 0 0 "[ . 1 . 2]" 1
308 2 15 GLU H 2 15 GLU QG 3.650 . 3.650 2.406 2.233 2.573 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLU HB2 1 15 GLU H 3.420 . 3.420 2.683 2.366 2.972 . 0 0 "[ . 1 . 2]" 1
310 2 14 GLU HB2 2 15 GLU H 3.420 . 3.420 2.690 2.335 3.011 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLU H 1 16 LEU H 4.320 . 4.320 4.165 3.996 4.332 0.012 4 0 "[ . 1 . 2]" 1
312 2 14 GLU H 2 16 LEU H 4.320 . 4.320 4.162 3.993 4.315 . 0 0 "[ . 1 . 2]" 1
313 1 14 GLU H 1 14 GLU HB2 3.120 . 3.120 2.399 2.279 2.556 . 0 0 "[ . 1 . 2]" 1
314 2 14 GLU H 2 14 GLU HB2 3.120 . 3.120 2.402 2.287 2.502 . 0 0 "[ . 1 . 2]" 1
315 1 14 GLU H 1 16 LEU QB 5.020 . 5.020 4.744 4.624 4.874 . 0 0 "[ . 1 . 2]" 1
316 2 14 GLU H 2 16 LEU QB 5.020 . 5.020 4.734 4.538 4.865 . 0 0 "[ . 1 . 2]" 1
317 1 12 ALA H 1 13 GLU H 4.250 . 4.250 2.825 2.713 2.914 . 0 0 "[ . 1 . 2]" 1
318 2 12 ALA H 2 13 GLU H 4.250 . 4.250 2.828 2.720 2.952 . 0 0 "[ . 1 . 2]" 1
319 1 13 GLU H 1 14 GLU H 4.500 . 4.500 2.673 2.598 2.756 . 0 0 "[ . 1 . 2]" 1
320 2 13 GLU H 2 14 GLU H 4.500 . 4.500 2.665 2.576 2.761 . 0 0 "[ . 1 . 2]" 1
321 1 10 LYS HA 1 13 GLU H 4.100 . 4.100 3.627 3.206 3.958 . 0 0 "[ . 1 . 2]" 1
322 2 10 LYS HA 2 13 GLU H 4.100 . 4.100 3.635 3.218 3.914 . 0 0 "[ . 1 . 2]" 1
323 1 13 GLU H 1 13 GLU QG 4.400 . 4.400 3.452 2.203 4.011 . 0 0 "[ . 1 . 2]" 1
324 2 13 GLU H 2 13 GLU QG 4.400 . 4.400 3.445 2.097 4.000 . 0 0 "[ . 1 . 2]" 1
325 1 12 ALA MB 1 13 GLU H 4.200 . 4.200 2.402 2.336 2.495 . 0 0 "[ . 1 . 2]" 1
326 2 12 ALA MB 2 13 GLU H 4.200 . 4.200 2.408 2.328 2.537 . 0 0 "[ . 1 . 2]" 1
327 1 10 LYS H 1 12 ALA H 4.180 . 4.180 4.014 3.853 4.183 0.003 2 0 "[ . 1 . 2]" 1
328 2 10 LYS H 2 12 ALA H 4.180 . 4.180 4.016 3.838 4.196 0.016 17 0 "[ . 1 . 2]" 1
329 1 12 ALA H 1 14 GLU HB2 5.150 . 5.150 5.069 4.810 5.180 0.030 15 0 "[ . 1 . 2]" 1
330 2 12 ALA H 2 14 GLU HB2 5.150 . 5.150 5.083 4.945 5.175 0.025 2 0 "[ . 1 . 2]" 1
331 1 12 ALA H 1 12 ALA MB 3.250 . 3.250 2.219 2.193 2.239 . 0 0 "[ . 1 . 2]" 1
332 2 12 ALA H 2 12 ALA MB 3.250 . 3.250 2.218 2.194 2.245 . 0 0 "[ . 1 . 2]" 1
333 1 10 LYS H 1 11 TYR H 2.940 . 2.940 2.664 2.521 2.876 . 0 0 "[ . 1 . 2]" 1
334 2 10 LYS H 2 11 TYR H 2.940 . 2.940 2.664 2.525 2.873 . 0 0 "[ . 1 . 2]" 1
335 1 8 ARG HA 1 11 TYR H 3.700 . 3.700 3.323 2.868 3.603 . 0 0 "[ . 1 . 2]" 1
336 2 8 ARG HA 2 11 TYR H 3.700 . 3.700 3.305 2.844 3.628 . 0 0 "[ . 1 . 2]" 1
337 1 24 ARG QD 1 25 LYS H 4.100 . 4.100 4.212 4.147 4.254 0.154 17 0 "[ . 1 . 2]" 1
338 2 24 ARG QD 2 25 LYS H 4.100 . 4.100 4.214 4.142 4.258 0.158 17 0 "[ . 1 . 2]" 1
339 1 7 SER HA 1 10 LYS H 5.500 . 5.500 3.660 3.397 3.898 . 0 0 "[ . 1 . 2]" 1
340 2 7 SER HA 2 10 LYS H 5.500 . 5.500 3.670 3.429 3.933 . 0 0 "[ . 1 . 2]" 1
341 1 10 LYS H 1 10 LYS QB 3.190 . 3.190 2.237 2.154 2.309 . 0 0 "[ . 1 . 2]" 1
342 2 10 LYS H 2 10 LYS QB 3.190 . 3.190 2.237 2.169 2.304 . 0 0 "[ . 1 . 2]" 1
343 1 6 SER H 1 9 GLN H 3.900 . 3.900 3.354 2.848 3.933 0.033 17 0 "[ . 1 . 2]" 1
344 2 6 SER H 2 9 GLN H 3.900 . 3.900 3.364 2.860 3.912 0.012 9 0 "[ . 1 . 2]" 1
345 1 9 GLN H 1 9 GLN QG 4.020 . 4.020 2.288 2.005 2.577 . 0 0 "[ . 1 . 2]" 1
346 2 9 GLN H 2 9 GLN QG 4.020 . 4.020 2.280 1.961 2.527 . 0 0 "[ . 1 . 2]" 1
347 1 9 GLN H 1 9 GLN QB 3.260 . 3.260 2.546 2.350 2.750 . 0 0 "[ . 1 . 2]" 1
348 2 9 GLN H 2 9 GLN QB 3.260 . 3.260 2.555 2.368 2.777 . 0 0 "[ . 1 . 2]" 1
349 1 7 SER H 1 8 ARG H 3.810 . 3.810 2.618 2.216 3.560 . 0 0 "[ . 1 . 2]" 1
350 2 7 SER H 2 8 ARG H 3.810 . 3.810 2.615 2.204 3.559 . 0 0 "[ . 1 . 2]" 1
351 1 8 ARG H 1 9 GLN H 4.100 . 4.100 2.668 2.497 2.927 . 0 0 "[ . 1 . 2]" 1
352 2 8 ARG H 2 9 GLN H 4.100 . 4.100 2.665 2.500 2.921 . 0 0 "[ . 1 . 2]" 1
353 1 6 SER HA 1 8 ARG H 5.080 . 5.080 4.611 4.190 5.082 0.002 5 0 "[ . 1 . 2]" 1
354 2 6 SER HA 2 8 ARG H 5.080 . 5.080 4.591 4.131 5.086 0.006 2 0 "[ . 1 . 2]" 1
355 1 74 GLY H 1 76 GLU H 4.850 . 4.850 4.422 4.211 4.596 . 0 0 "[ . 1 . 2]" 1
356 2 74 GLY H 2 76 GLU H 4.850 . 4.850 4.431 4.250 4.568 . 0 0 "[ . 1 . 2]" 1
357 1 4 MET H 1 5 ALA H 4.400 . 4.400 4.175 2.377 4.491 0.091 10 0 "[ . 1 . 2]" 1
358 2 4 MET H 2 5 ALA H 4.400 . 4.400 4.282 2.488 4.473 0.073 10 0 "[ . 1 . 2]" 1
359 1 3 HIS HA 1 4 MET H 3.430 . 3.430 2.150 2.024 2.239 . 0 0 "[ . 1 . 2]" 1
360 2 3 HIS HA 2 4 MET H 3.430 . 3.430 2.144 2.007 2.300 . 0 0 "[ . 1 . 2]" 1
361 1 45 TRP HE1 1 46 LEU HA 4.610 . 4.610 4.352 4.161 4.613 0.003 2 0 "[ . 1 . 2]" 1
362 2 45 TRP HE1 2 46 LEU HA 4.610 . 4.610 4.326 4.124 4.607 . 0 0 "[ . 1 . 2]" 1
363 1 45 TRP HB2 1 45 TRP HE1 5.260 . 5.260 5.136 5.098 5.167 . 0 0 "[ . 1 . 2]" 1
364 2 45 TRP HB2 2 45 TRP HE1 5.260 . 5.260 5.137 5.099 5.165 . 0 0 "[ . 1 . 2]" 1
365 1 75 ALA HA 1 78 ILE H 3.540 . 3.540 3.408 3.227 3.516 . 0 0 "[ . 1 . 2]" 1
366 2 75 ALA HA 2 78 ILE H 3.540 . 3.540 3.412 3.259 3.566 0.026 18 0 "[ . 1 . 2]" 1
367 1 36 TRP QB 1 37 TYR H 4.270 . 4.270 2.590 2.417 3.006 . 0 0 "[ . 1 . 2]" 1
368 2 36 TRP QB 2 37 TYR H 4.270 . 4.270 2.615 2.355 3.041 . 0 0 "[ . 1 . 2]" 1
369 1 79 LYS H 1 79 LYS HB3 3.730 . 3.730 3.485 3.358 3.632 . 0 0 "[ . 1 . 2]" 1
370 2 79 LYS H 2 79 LYS HB3 3.730 . 3.730 3.489 3.396 3.588 . 0 0 "[ . 1 . 2]" 1
371 1 79 LYS H 1 79 LYS HG3 4.840 . 4.840 3.665 3.048 4.335 . 0 0 "[ . 1 . 2]" 1
372 2 79 LYS H 2 79 LYS HG3 4.840 . 4.840 3.696 3.048 4.343 . 0 0 "[ . 1 . 2]" 1
373 1 79 LYS H 1 79 LYS QD 4.170 . 4.170 2.993 2.602 3.473 . 0 0 "[ . 1 . 2]" 1
374 2 79 LYS H 2 79 LYS QD 4.170 . 4.170 2.936 2.539 3.432 . 0 0 "[ . 1 . 2]" 1
375 1 79 LYS H 1 79 LYS HB2 3.470 . 3.470 2.173 2.096 2.311 . 0 0 "[ . 1 . 2]" 1
376 2 79 LYS H 2 79 LYS HB2 3.470 . 3.470 2.168 2.090 2.282 . 0 0 "[ . 1 . 2]" 1
377 1 78 ILE HG13 1 79 LYS H 4.320 . 4.320 2.143 1.935 2.425 . 0 0 "[ . 1 . 2]" 1
378 2 78 ILE HG13 2 79 LYS H 4.320 . 4.320 2.103 1.872 2.308 . 0 0 "[ . 1 . 2]" 1
379 1 79 LYS H 1 79 LYS QE 5.050 . 5.050 4.762 4.106 5.087 0.037 18 0 "[ . 1 . 2]" 1
380 2 79 LYS H 2 79 LYS QE 5.050 . 5.050 4.741 4.374 5.007 . 0 0 "[ . 1 . 2]" 1
381 1 78 ILE H 1 79 LYS H 3.540 . 3.540 2.394 2.195 2.588 . 0 0 "[ . 1 . 2]" 1
382 2 78 ILE H 2 79 LYS H 3.540 . 3.540 2.397 2.201 2.551 . 0 0 "[ . 1 . 2]" 1
383 1 23 LEU MD2 1 49 THR HB 5.500 . 5.500 5.277 5.145 5.378 . 0 0 "[ . 1 . 2]" 1
384 2 23 LEU MD1 2 49 THR HB 5.500 . 5.500 4.262 4.100 4.424 . 0 0 "[ . 1 . 2]" 1
385 1 57 TYR HD1 2 54 VAL HA 4.990 . 4.990 3.626 3.457 3.768 . 0 0 "[ . 1 . 2]" 1
386 1 54 VAL HA 2 57 TYR HD1 4.990 . 4.990 3.623 3.428 3.828 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLN HA 1 19 VAL HA 5.080 . 5.080 4.765 4.727 4.813 . 0 0 "[ . 1 . 2]" 1
388 2 18 GLN HA 2 19 VAL HA 5.080 . 5.080 4.770 4.727 4.828 . 0 0 "[ . 1 . 2]" 1
389 1 53 GLU HG2 1 54 VAL HA 5.500 . 5.500 4.825 4.750 4.907 . 0 0 "[ . 1 . 2]" 1
390 1 61 LYS HB2 2 54 VAL HA 5.500 . 5.500 5.055 4.926 5.222 . 0 0 "[ . 1 . 2]" 1
391 1 54 VAL HA 2 61 LYS HB2 5.500 . 5.500 5.050 4.903 5.199 . 0 0 "[ . 1 . 2]" 1
392 1 19 VAL HA 1 22 ALA MB 3.770 . 3.770 2.853 2.694 3.042 . 0 0 "[ . 1 . 2]" 1
393 2 19 VAL HA 2 22 ALA MB 3.770 . 3.770 2.853 2.719 3.092 . 0 0 "[ . 1 . 2]" 1
394 1 19 VAL HA 1 20 ARG HA 5.500 . 5.500 4.679 4.633 4.719 . 0 0 "[ . 1 . 2]" 1
395 2 19 VAL HA 2 20 ARG HA 5.500 . 5.500 4.665 4.593 4.714 . 0 0 "[ . 1 . 2]" 1
396 1 45 TRP HZ3 1 49 THR HA 5.500 . 5.500 5.180 5.012 5.366 . 0 0 "[ . 1 . 2]" 1
397 2 45 TRP HZ3 2 49 THR HA 5.500 . 5.500 5.234 5.094 5.380 . 0 0 "[ . 1 . 2]" 1
398 1 54 VAL HA 1 57 TYR HE2 5.500 . 5.500 4.014 3.914 4.173 . 0 0 "[ . 1 . 2]" 1
399 2 54 VAL HA 2 57 TYR HE2 5.500 . 5.500 4.024 3.914 4.204 . 0 0 "[ . 1 . 2]" 1
400 1 39 PRO HA 1 43 GLN HG3 5.500 . 5.500 3.954 3.844 4.142 . 0 0 "[ . 1 . 2]" 1
401 2 39 PRO HA 2 43 GLN HG3 5.500 . 5.500 3.967 3.790 4.130 . 0 0 "[ . 1 . 2]" 1
402 1 79 LYS HB2 2 39 PRO HA 4.900 . 4.900 4.541 3.991 4.921 0.021 3 0 "[ . 1 . 2]" 1
403 1 39 PRO HA 2 79 LYS HB2 4.900 . 4.900 4.552 3.940 4.914 0.014 5 0 "[ . 1 . 2]" 1
404 1 79 LYS QD 2 39 PRO HA 4.510 . 4.510 4.155 2.843 4.568 0.058 11 0 "[ . 1 . 2]" 1
405 1 39 PRO HA 2 79 LYS QD 4.510 . 4.510 4.287 2.898 4.630 0.120 18 0 "[ . 1 . 2]" 1
406 1 39 PRO HA 1 42 LEU MD2 4.220 . 4.220 3.777 3.709 3.851 . 0 0 "[ . 1 . 2]" 1
407 2 39 PRO HA 2 42 LEU MD2 4.220 . 4.220 3.780 3.678 3.849 . 0 0 "[ . 1 . 2]" 1
408 1 70 VAL HA 1 73 GLU QB 3.380 . 3.380 2.989 2.786 3.200 . 0 0 "[ . 1 . 2]" 1
409 2 70 VAL HA 2 73 GLU QB 3.380 . 3.380 3.013 2.798 3.234 . 0 0 "[ . 1 . 2]" 1
410 1 70 VAL HA 1 71 ALA MB 5.200 . 5.200 4.975 4.952 4.997 . 0 0 "[ . 1 . 2]" 1
411 2 70 VAL HA 2 71 ALA MB 5.200 . 5.200 4.978 4.945 5.000 . 0 0 "[ . 1 . 2]" 1
412 1 70 VAL HA 1 70 VAL MG2 3.300 . 3.300 3.237 3.222 3.255 . 0 0 "[ . 1 . 2]" 1
413 2 70 VAL HA 2 70 VAL MG2 3.300 . 3.300 3.234 3.216 3.248 . 0 0 "[ . 1 . 2]" 1
414 1 56 TYR HA 1 59 ILE HA 5.500 . 5.500 5.154 5.066 5.202 . 0 0 "[ . 1 . 2]" 1
415 2 56 TYR HA 2 59 ILE HA 5.500 . 5.500 5.156 5.082 5.195 . 0 0 "[ . 1 . 2]" 1
416 1 59 ILE HA 1 62 GLN HG2 5.000 . 5.000 2.108 2.034 2.149 . 0 0 "[ . 1 . 2]" 1
417 2 59 ILE HA 2 62 GLN HG2 5.000 . 5.000 2.103 1.979 2.165 . 0 0 "[ . 1 . 2]" 1
418 1 59 ILE HA 1 59 ILE HG12 4.110 . 4.110 2.635 2.601 2.691 . 0 0 "[ . 1 . 2]" 1
419 2 59 ILE HA 2 59 ILE HG12 4.110 . 4.110 2.640 2.599 2.696 . 0 0 "[ . 1 . 2]" 1
420 1 59 ILE HA 1 59 ILE HG13 3.930 . 3.930 3.711 3.645 3.751 . 0 0 "[ . 1 . 2]" 1
421 2 59 ILE HA 2 59 ILE HG13 3.930 . 3.930 3.717 3.646 3.772 . 0 0 "[ . 1 . 2]" 1
422 1 57 TYR HA 1 57 TYR HD1 3.970 . 3.970 3.650 3.561 3.739 . 0 0 "[ . 1 . 2]" 1
423 2 57 TYR HA 2 57 TYR HD1 3.970 . 3.970 3.633 3.529 3.725 . 0 0 "[ . 1 . 2]" 1
424 1 54 VAL HA 1 57 TYR HA 5.500 . 5.500 5.024 4.952 5.076 . 0 0 "[ . 1 . 2]" 1
425 2 54 VAL HA 2 57 TYR HA 5.500 . 5.500 5.025 4.951 5.115 . 0 0 "[ . 1 . 2]" 1
426 1 54 VAL HA 2 57 TYR HA 5.500 . 5.500 5.492 5.315 5.542 0.042 4 0 "[ . 1 . 2]" 1
427 1 57 TYR HA 2 54 VAL HA 5.500 . 5.500 5.485 5.278 5.539 0.039 9 0 "[ . 1 . 2]" 1
428 1 57 TYR HA 1 60 LYS QD 4.990 . 4.990 4.931 4.770 5.017 0.027 10 0 "[ . 1 . 2]" 1
429 2 57 TYR HA 2 60 LYS QD 4.990 . 4.990 4.913 4.767 5.013 0.023 2 0 "[ . 1 . 2]" 1
430 1 57 TYR HA 1 60 LYS QG 4.480 . 4.480 4.077 4.012 4.196 . 0 0 "[ . 1 . 2]" 1
431 2 57 TYR HA 2 60 LYS QG 4.480 . 4.480 4.074 4.012 4.195 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL MG2 2 57 TYR HA 5.500 . 5.500 4.483 4.290 4.667 . 0 0 "[ . 1 . 2]" 1
433 1 57 TYR HA 1 59 ILE MG 5.500 . 5.500 4.681 4.595 4.742 . 0 0 "[ . 1 . 2]" 1
434 2 57 TYR HA 2 59 ILE MG 5.500 . 5.500 4.681 4.601 4.725 . 0 0 "[ . 1 . 2]" 1
435 1 78 ILE HA 1 79 LYS HB2 5.500 . 5.500 5.542 5.401 5.587 0.087 11 0 "[ . 1 . 2]" 1
436 2 78 ILE HA 2 79 LYS HB2 5.500 . 5.500 5.544 5.411 5.585 0.085 19 0 "[ . 1 . 2]" 1
437 1 78 ILE HA 1 79 LYS QD 5.470 . 5.470 5.185 4.730 5.634 0.164 4 0 "[ . 1 . 2]" 1
438 2 78 ILE HA 2 79 LYS QD 5.470 . 5.470 5.130 4.602 5.653 0.183 13 0 "[ . 1 . 2]" 1
439 1 78 ILE HA 1 78 ILE HG13 3.570 . 3.570 3.588 3.549 3.601 0.031 9 0 "[ . 1 . 2]" 1
440 2 78 ILE HA 2 78 ILE HG13 3.570 . 3.570 3.587 3.567 3.606 0.036 9 0 "[ . 1 . 2]" 1
441 1 78 ILE HA 1 78 ILE MG 3.020 . 3.020 2.380 2.342 2.430 . 0 0 "[ . 1 . 2]" 1
442 2 78 ILE HA 2 78 ILE MG 3.020 . 3.020 2.369 2.320 2.435 . 0 0 "[ . 1 . 2]" 1
443 1 78 ILE HA 1 78 ILE MD 4.030 . 4.030 4.099 4.066 4.125 0.095 3 0 "[ . 1 . 2]" 1
444 2 78 ILE HA 2 78 ILE MD 4.030 . 4.030 4.099 4.081 4.118 0.088 18 0 "[ . 1 . 2]" 1
445 1 56 TYR HA 1 56 TYR QD 4.100 . 4.100 2.814 2.724 2.900 . 0 0 "[ . 1 . 2]" 1
446 2 56 TYR HA 2 56 TYR QD 4.100 . 4.100 2.805 2.684 2.894 . 0 0 "[ . 1 . 2]" 1
447 1 56 TYR HA 1 59 ILE MG 3.640 . 3.640 1.743 1.726 1.765 . 0 0 "[ . 1 . 2]" 1
448 2 56 TYR HA 2 59 ILE MG 3.640 . 3.640 1.744 1.719 1.768 . 0 0 "[ . 1 . 2]" 1
449 1 44 LYS HA 1 45 TRP HA 5.070 . 5.070 4.872 4.825 4.923 . 0 0 "[ . 1 . 2]" 1
450 2 44 LYS HA 2 45 TRP HA 5.070 . 5.070 4.874 4.830 4.912 . 0 0 "[ . 1 . 2]" 1
451 1 45 TRP HA 1 48 LEU HB2 4.180 . 4.180 3.459 3.243 3.644 . 0 0 "[ . 1 . 2]" 1
452 2 45 TRP HA 2 48 LEU HB2 4.180 . 4.180 3.470 3.346 3.631 . 0 0 "[ . 1 . 2]" 1
453 1 45 TRP HA 1 45 TRP HZ3 5.500 . 5.500 5.191 4.948 5.315 . 0 0 "[ . 1 . 2]" 1
454 2 45 TRP HA 2 45 TRP HZ3 5.500 . 5.500 5.167 4.926 5.259 . 0 0 "[ . 1 . 2]" 1
455 1 56 TYR HA 1 59 ILE HG12 5.500 . 5.500 5.562 5.532 5.575 0.075 10 0 "[ . 1 . 2]" 1
456 2 56 TYR HA 2 59 ILE HG12 5.500 . 5.500 5.563 5.539 5.582 0.082 11 0 "[ . 1 . 2]" 1
457 1 56 TYR HA 1 60 LYS QG 5.120 . 5.120 3.026 2.797 3.341 . 0 0 "[ . 1 . 2]" 1
458 2 56 TYR HA 2 60 LYS QG 5.120 . 5.120 3.030 2.802 3.336 . 0 0 "[ . 1 . 2]" 1
459 1 27 GLU HA 1 30 LEU HA 5.500 . 5.500 4.995 4.884 5.134 . 0 0 "[ . 1 . 2]" 1
460 2 27 GLU HA 2 30 LEU HA 5.500 . 5.500 4.999 4.886 5.147 . 0 0 "[ . 1 . 2]" 1
461 1 26 ALA HA 1 27 GLU HA 5.370 . 5.370 4.821 4.753 4.866 . 0 0 "[ . 1 . 2]" 1
462 2 26 ALA HA 2 27 GLU HA 5.370 . 5.370 4.819 4.749 4.862 . 0 0 "[ . 1 . 2]" 1
463 1 26 ALA MB 1 27 GLU HA 4.690 . 4.690 4.040 4.007 4.064 . 0 0 "[ . 1 . 2]" 1
464 2 26 ALA MB 2 27 GLU HA 4.690 . 4.690 4.039 3.973 4.075 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLU HA 1 30 LEU HB2 4.740 . 4.740 2.716 2.548 2.914 . 0 0 "[ . 1 . 2]" 1
466 2 27 GLU HA 2 30 LEU HB2 4.740 . 4.740 2.723 2.565 2.944 . 0 0 "[ . 1 . 2]" 1
467 1 27 GLU HA 1 45 TRP HH2 5.500 . 5.500 5.319 5.183 5.479 . 0 0 "[ . 1 . 2]" 1
468 2 27 GLU HA 2 45 TRP HH2 5.500 . 5.500 5.330 5.220 5.498 . 0 0 "[ . 1 . 2]" 1
469 1 51 GLU HA 1 52 VAL HA 5.500 . 5.500 4.743 4.651 4.796 . 0 0 "[ . 1 . 2]" 1
470 2 51 GLU HA 2 52 VAL HA 5.500 . 5.500 4.758 4.657 4.805 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU HB3 1 34 SER QB 5.310 . 5.310 5.029 4.790 5.330 0.020 16 0 "[ . 1 . 2]" 1
472 2 30 LEU HB3 2 34 SER QB 5.310 . 5.310 5.050 4.790 5.338 0.028 8 0 "[ . 1 . 2]" 1
473 1 71 ALA MB 2 34 SER QB 4.510 . 4.510 2.369 2.126 2.620 . 0 0 "[ . 1 . 2]" 1
474 1 34 SER QB 2 71 ALA MB 4.510 . 4.510 2.372 2.173 2.554 . 0 0 "[ . 1 . 2]" 1
475 1 33 HIS HD2 1 34 SER HA 4.440 . 4.440 4.294 3.306 4.537 0.097 15 0 "[ . 1 . 2]" 1
476 2 33 HIS HD2 2 34 SER HA 4.440 . 4.440 4.292 3.289 4.503 0.063 2 0 "[ . 1 . 2]" 1
477 1 34 SER HA 1 37 TYR HE1 4.540 . 4.540 4.509 4.261 4.629 0.089 2 0 "[ . 1 . 2]" 1
478 2 34 SER HA 2 37 TYR HE1 4.540 . 4.540 4.507 4.290 4.601 0.061 2 0 "[ . 1 . 2]" 1
479 1 33 HIS HA 1 34 SER HA 5.360 . 5.360 4.627 4.544 4.689 . 0 0 "[ . 1 . 2]" 1
480 2 33 HIS HA 2 34 SER HA 5.360 . 5.360 4.616 4.504 4.684 . 0 0 "[ . 1 . 2]" 1
481 1 34 SER HA 1 42 LEU MD2 5.500 . 5.500 5.165 4.881 5.363 . 0 0 "[ . 1 . 2]" 1
482 2 34 SER HA 2 42 LEU MD2 5.500 . 5.500 5.161 4.879 5.351 . 0 0 "[ . 1 . 2]" 1
483 1 20 ARG HA 1 21 GLU QB 5.470 . 5.470 5.465 5.401 5.489 0.019 16 0 "[ . 1 . 2]" 1
484 2 20 ARG HA 2 21 GLU QB 5.470 . 5.470 5.464 5.381 5.497 0.027 16 0 "[ . 1 . 2]" 1
485 1 23 LEU MD2 2 20 ARG HA 3.750 . 3.750 3.691 3.390 3.825 0.075 1 0 "[ . 1 . 2]" 1
486 1 52 VAL MG1 2 20 ARG HA 4.760 . 4.760 4.454 4.136 4.781 0.021 9 0 "[ . 1 . 2]" 1
487 1 31 GLU HG2 1 32 SER HA 5.320 . 5.320 5.098 4.861 5.362 0.042 7 0 "[ . 1 . 2]" 1
488 2 31 GLU HG2 2 32 SER HA 5.320 . 5.320 5.124 4.810 5.378 0.058 7 0 "[ . 1 . 2]" 1
489 1 31 GLU QB 1 32 SER HA 4.430 . 4.430 4.350 4.213 4.461 0.031 5 0 "[ . 1 . 2]" 1
490 2 31 GLU QB 2 32 SER HA 4.430 . 4.430 4.343 4.222 4.464 0.034 5 0 "[ . 1 . 2]" 1
491 1 19 VAL HA 1 23 LEU HB2 5.500 . 5.500 4.947 4.830 5.013 . 0 0 "[ . 1 . 2]" 1
492 2 19 VAL HA 2 23 LEU HB2 5.500 . 5.500 4.951 4.808 5.046 . 0 0 "[ . 1 . 2]" 1
493 1 23 LEU HB2 2 19 VAL HA 5.500 . 5.500 4.951 4.862 5.076 . 0 0 "[ . 1 . 2]" 1
494 1 19 VAL HA 2 23 LEU HB2 5.500 . 5.500 4.992 4.851 5.122 . 0 0 "[ . 1 . 2]" 1
495 1 70 VAL HA 1 73 GLU HG3 4.810 . 4.810 4.132 3.514 4.411 . 0 0 "[ . 1 . 2]" 1
496 2 70 VAL HA 2 73 GLU HG3 4.810 . 4.810 4.180 3.695 4.423 . 0 0 "[ . 1 . 2]" 1
497 1 69 LEU HB2 1 70 VAL HA 5.440 . 5.440 5.216 4.378 5.438 . 0 0 "[ . 1 . 2]" 1
498 2 69 LEU HB2 2 70 VAL HA 5.440 . 5.440 5.217 4.444 5.443 0.003 8 0 "[ . 1 . 2]" 1
499 1 42 LEU HA 1 45 TRP HD1 5.100 . 5.100 2.791 2.624 3.001 . 0 0 "[ . 1 . 2]" 1
500 2 42 LEU HA 2 45 TRP HD1 5.100 . 5.100 2.777 2.650 3.000 . 0 0 "[ . 1 . 2]" 1
501 1 42 LEU HA 1 45 TRP HB3 5.500 . 5.500 2.263 2.043 2.453 . 0 0 "[ . 1 . 2]" 1
502 2 42 LEU HA 2 45 TRP HB3 5.500 . 5.500 2.245 2.005 2.455 . 0 0 "[ . 1 . 2]" 1
503 1 42 LEU HA 1 46 LEU HB2 5.400 . 5.400 5.046 4.786 5.297 . 0 0 "[ . 1 . 2]" 1
504 2 42 LEU HA 2 46 LEU HB2 5.400 . 5.400 5.030 4.739 5.263 . 0 0 "[ . 1 . 2]" 1
505 1 42 LEU HA 1 42 LEU MD1 4.060 . 4.060 3.746 3.687 3.803 . 0 0 "[ . 1 . 2]" 1
506 2 42 LEU HA 2 42 LEU MD1 4.060 . 4.060 3.754 3.704 3.817 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU MD1 1 42 LEU HA 5.500 . 5.500 5.030 4.814 5.190 . 0 0 "[ . 1 . 2]" 1
508 2 30 LEU MD1 2 42 LEU HA 5.500 . 5.500 5.036 4.838 5.207 . 0 0 "[ . 1 . 2]" 1
509 1 30 LEU MD2 1 42 LEU HA 5.500 . 5.500 3.110 2.925 3.304 . 0 0 "[ . 1 . 2]" 1
510 2 30 LEU MD2 2 42 LEU HA 5.500 . 5.500 3.100 2.897 3.277 . 0 0 "[ . 1 . 2]" 1
511 1 33 HIS HA 1 33 HIS HD2 4.900 . 4.900 4.308 3.434 4.694 . 0 0 "[ . 1 . 2]" 1
512 2 33 HIS HA 2 33 HIS HD2 4.900 . 4.900 4.297 3.344 4.694 . 0 0 "[ . 1 . 2]" 1
513 1 32 SER HA 1 33 HIS HA 5.500 . 5.500 4.664 4.298 4.853 . 0 0 "[ . 1 . 2]" 1
514 2 32 SER HA 2 33 HIS HA 5.500 . 5.500 4.666 4.352 4.838 . 0 0 "[ . 1 . 2]" 1
515 1 32 SER QB 1 33 HIS HA 5.260 . 5.260 4.167 4.001 4.347 . 0 0 "[ . 1 . 2]" 1
516 2 32 SER QB 2 33 HIS HA 5.260 . 5.260 4.174 3.983 4.395 . 0 0 "[ . 1 . 2]" 1
517 1 38 ALA HA 1 39 PRO HG3 4.820 . 4.820 4.528 4.461 4.624 . 0 0 "[ . 1 . 2]" 1
518 2 38 ALA HA 2 39 PRO HG3 4.820 . 4.820 4.543 4.456 4.686 . 0 0 "[ . 1 . 2]" 1
519 1 38 ALA HA 1 42 LEU MD2 5.500 . 5.500 4.696 4.538 4.779 . 0 0 "[ . 1 . 2]" 1
520 2 38 ALA HA 2 42 LEU MD2 5.500 . 5.500 4.701 4.554 4.822 . 0 0 "[ . 1 . 2]" 1
521 1 78 ILE MD 2 38 ALA HA 5.500 . 5.500 4.960 4.458 5.391 . 0 0 "[ . 1 . 2]" 1
522 1 38 ALA HA 2 78 ILE MD 5.500 . 5.500 4.958 4.449 5.382 . 0 0 "[ . 1 . 2]" 1
523 1 11 TYR HB2 1 12 ALA HA 5.040 . 5.040 4.414 4.246 4.588 . 0 0 "[ . 1 . 2]" 1
524 2 11 TYR HB2 2 12 ALA HA 5.040 . 5.040 4.419 4.211 4.611 . 0 0 "[ . 1 . 2]" 1
525 1 11 TYR HB3 1 12 ALA HA 5.040 . 5.040 4.310 4.184 4.500 . 0 0 "[ . 1 . 2]" 1
526 2 11 TYR HB3 2 12 ALA HA 5.040 . 5.040 4.305 4.154 4.439 . 0 0 "[ . 1 . 2]" 1
527 1 12 ALA HA 1 15 GLU QG 4.730 . 4.730 3.594 2.236 4.741 0.011 1 0 "[ . 1 . 2]" 1
528 2 12 ALA HA 2 15 GLU QG 4.730 . 4.730 3.609 2.266 4.731 0.001 1 0 "[ . 1 . 2]" 1
529 1 75 ALA HA 1 78 ILE HG13 4.450 . 4.450 2.985 2.699 3.339 . 0 0 "[ . 1 . 2]" 1
530 2 75 ALA HA 2 78 ILE HG13 4.450 . 4.450 2.993 2.760 3.311 . 0 0 "[ . 1 . 2]" 1
531 1 75 ALA HA 1 78 ILE MD 3.620 . 3.620 2.746 2.330 3.136 . 0 0 "[ . 1 . 2]" 1
532 2 75 ALA HA 2 78 ILE MD 3.620 . 3.620 2.764 2.502 3.097 . 0 0 "[ . 1 . 2]" 1
533 1 3 HIS HA 1 3 HIS HD2 5.020 . 5.020 3.371 2.492 4.471 . 0 0 "[ . 1 . 2]" 1
534 2 3 HIS HA 2 3 HIS HD2 5.020 . 5.020 3.372 2.432 4.460 . 0 0 "[ . 1 . 2]" 1
535 1 62 GLN HA 1 63 ASN HA 5.050 . 5.050 4.838 4.641 4.919 . 0 0 "[ . 1 . 2]" 1
536 2 62 GLN HA 2 63 ASN HA 5.050 . 5.050 4.838 4.676 4.925 . 0 0 "[ . 1 . 2]" 1
537 1 63 ASN HA 1 66 LYS QB 3.550 . 3.550 3.140 2.699 3.437 . 0 0 "[ . 1 . 2]" 1
538 2 63 ASN HA 2 66 LYS QB 3.550 . 3.550 3.137 2.753 3.386 . 0 0 "[ . 1 . 2]" 1
539 1 59 ILE HG12 1 63 ASN HA 5.160 . 5.160 5.212 5.169 5.306 0.146 17 0 "[ . 1 . 2]" 1
540 2 59 ILE HG12 2 63 ASN HA 5.160 . 5.160 5.210 5.168 5.293 0.133 17 0 "[ . 1 . 2]" 1
541 1 63 ASN HA 1 64 ALA MB 5.160 . 5.160 5.022 5.000 5.047 . 0 0 "[ . 1 . 2]" 1
542 2 63 ASN HA 2 64 ALA MB 5.160 . 5.160 5.020 4.999 5.047 . 0 0 "[ . 1 . 2]" 1
543 1 62 GLN HG3 1 63 ASN HA 5.500 . 5.500 3.475 3.335 3.775 . 0 0 "[ . 1 . 2]" 1
544 2 62 GLN HG3 2 63 ASN HA 5.500 . 5.500 3.491 3.312 3.804 . 0 0 "[ . 1 . 2]" 1
545 1 4 MET HA 1 4 MET ME 3.910 . 3.910 2.792 1.787 4.120 0.210 17 0 "[ . 1 . 2]" 1
546 2 4 MET HA 2 4 MET ME 3.910 . 3.910 2.845 1.799 4.122 0.212 17 0 "[ . 1 . 2]" 1
547 1 57 TYR HD1 1 58 ASN HA 5.250 . 5.250 3.815 3.633 3.996 . 0 0 "[ . 1 . 2]" 1
548 2 57 TYR HD1 2 58 ASN HA 5.250 . 5.250 3.821 3.596 4.029 . 0 0 "[ . 1 . 2]" 1
549 1 57 TYR HB2 1 58 ASN HA 5.500 . 5.500 5.184 5.084 5.274 . 0 0 "[ . 1 . 2]" 1
550 2 57 TYR HB2 2 58 ASN HA 5.500 . 5.500 5.200 5.120 5.299 . 0 0 "[ . 1 . 2]" 1
551 1 57 TYR HB3 1 58 ASN HA 5.500 . 5.500 5.303 5.252 5.365 . 0 0 "[ . 1 . 2]" 1
552 2 57 TYR HB3 2 58 ASN HA 5.500 . 5.500 5.304 5.258 5.361 . 0 0 "[ . 1 . 2]" 1
553 1 58 ASN HA 1 61 LYS HB3 3.940 . 3.940 3.085 2.925 3.255 . 0 0 "[ . 1 . 2]" 1
554 2 58 ASN HA 2 61 LYS HB3 3.940 . 3.940 3.106 3.005 3.220 . 0 0 "[ . 1 . 2]" 1
555 1 58 ASN HA 1 59 ILE MG 5.500 . 5.500 5.036 4.970 5.084 . 0 0 "[ . 1 . 2]" 1
556 2 58 ASN HA 2 59 ILE MG 5.500 . 5.500 5.035 4.997 5.089 . 0 0 "[ . 1 . 2]" 1
557 1 57 TYR HE2 1 58 ASN HA 5.500 . 5.500 4.962 4.797 5.157 . 0 0 "[ . 1 . 2]" 1
558 2 57 TYR HE2 2 58 ASN HA 5.500 . 5.500 4.941 4.749 5.132 . 0 0 "[ . 1 . 2]" 1
559 1 58 ASN HA 1 62 GLN HG2 5.500 . 5.500 4.759 4.614 4.923 . 0 0 "[ . 1 . 2]" 1
560 2 58 ASN HA 2 62 GLN HG2 5.500 . 5.500 4.747 4.446 4.893 . 0 0 "[ . 1 . 2]" 1
561 1 80 LYS HA 1 80 LYS QG 3.660 . 3.660 2.557 2.394 3.090 . 0 0 "[ . 1 . 2]" 1
562 2 80 LYS HA 2 80 LYS QG 3.660 . 3.660 2.561 2.418 2.993 . 0 0 "[ . 1 . 2]" 1
563 1 30 LEU HA 1 33 HIS HD2 4.730 . 4.730 4.069 3.259 4.795 0.065 20 0 "[ . 1 . 2]" 1
564 2 30 LEU HA 2 33 HIS HD2 4.730 . 4.730 4.071 3.237 4.813 0.083 20 0 "[ . 1 . 2]" 1
565 1 30 LEU HA 1 31 GLU HG2 5.470 . 5.470 5.474 5.381 5.542 0.072 5 0 "[ . 1 . 2]" 1
566 2 30 LEU HA 2 31 GLU HG2 5.470 . 5.470 5.480 5.384 5.530 0.060 6 0 "[ . 1 . 2]" 1
567 1 30 LEU HA 1 30 LEU HG 3.810 . 3.810 3.695 3.604 3.821 0.011 3 0 "[ . 1 . 2]" 1
568 2 30 LEU HA 2 30 LEU HG 3.810 . 3.810 3.695 3.605 3.823 0.013 3 0 "[ . 1 . 2]" 1
569 1 74 GLY QA 1 75 ALA HA 4.930 . 4.930 3.976 3.912 4.016 . 0 0 "[ . 1 . 2]" 1
570 2 74 GLY QA 2 75 ALA HA 4.930 . 4.930 3.975 3.899 4.016 . 0 0 "[ . 1 . 2]" 1
571 1 73 GLU QB 1 74 GLY QA 5.230 . 5.230 3.551 3.390 3.665 . 0 0 "[ . 1 . 2]" 1
572 2 73 GLU QB 2 74 GLY QA 5.230 . 5.230 3.546 3.404 3.648 . 0 0 "[ . 1 . 2]" 1
573 1 74 GLY QA 1 77 LYS QB 4.110 . 4.110 2.700 2.367 3.064 . 0 0 "[ . 1 . 2]" 1
574 2 74 GLY QA 2 77 LYS QB 4.110 . 4.110 2.687 2.329 3.058 . 0 0 "[ . 1 . 2]" 1
575 1 74 GLY QA 1 77 LYS QD 4.990 . 4.990 4.474 3.183 5.040 0.050 2 0 "[ . 1 . 2]" 1
576 2 74 GLY QA 2 77 LYS QD 4.990 . 4.990 4.470 3.147 5.029 0.039 6 0 "[ . 1 . 2]" 1
577 1 74 GLY QA 1 75 ALA MB 5.020 . 5.020 4.125 4.058 4.168 . 0 0 "[ . 1 . 2]" 1
578 2 74 GLY QA 2 75 ALA MB 5.020 . 5.020 4.120 4.066 4.165 . 0 0 "[ . 1 . 2]" 1
579 1 74 GLY QA 1 78 ILE MG 5.500 . 5.500 3.393 3.105 3.622 . 0 0 "[ . 1 . 2]" 1
580 2 74 GLY QA 2 78 ILE MG 5.500 . 5.500 3.398 3.062 3.687 . 0 0 "[ . 1 . 2]" 1
581 1 21 GLU HA 1 24 ARG HD3 4.130 . 4.130 2.409 1.937 2.670 . 0 0 "[ . 1 . 2]" 1
582 2 21 GLU HA 2 24 ARG HD3 4.130 . 4.130 2.388 1.946 2.670 . 0 0 "[ . 1 . 2]" 1
583 1 24 ARG HB2 1 24 ARG HD3 3.900 . 3.900 2.138 2.029 2.439 . 0 0 "[ . 1 . 2]" 1
584 2 24 ARG HB2 2 24 ARG HD3 3.900 . 3.900 2.136 2.030 2.421 . 0 0 "[ . 1 . 2]" 1
585 1 56 TYR QD 1 60 LYS QE . . 4.750 3.602 3.361 3.863 . 0 0 "[ . 1 . 2]" 1
586 2 56 TYR QD 2 60 LYS QE . . 4.750 3.615 3.350 3.838 . 0 0 "[ . 1 . 2]" 1
587 1 57 TYR HA 1 60 LYS QE . . 4.880 3.115 2.972 3.204 . 0 0 "[ . 1 . 2]" 1
588 2 57 TYR HA 2 60 LYS QE . . 4.880 3.091 2.983 3.203 . 0 0 "[ . 1 . 2]" 1
589 1 24 ARG HG3 2 60 LYS QE 4.350 . 4.350 3.318 3.087 3.733 . 0 0 "[ . 1 . 2]" 1
590 1 60 LYS QE 2 24 ARG HG3 4.350 . 4.350 3.380 3.121 3.765 . 0 0 "[ . 1 . 2]" 1
591 1 52 VAL MG1 1 60 LYS QE 5.500 . 5.500 5.033 4.945 5.169 . 0 0 "[ . 1 . 2]" 1
592 1 59 ILE MD 1 60 LYS QE 5.500 . 5.500 4.583 4.436 4.674 . 0 0 "[ . 1 . 2]" 1
593 2 59 ILE MD 2 60 LYS QE 5.500 . 5.500 4.587 4.469 4.673 . 0 0 "[ . 1 . 2]" 1
594 1 60 LYS HA 1 60 LYS QE 5.180 . 5.180 4.753 4.672 4.821 . 0 0 "[ . 1 . 2]" 1
595 2 60 LYS HA 2 60 LYS QE 5.180 . 5.180 4.759 4.710 4.828 . 0 0 "[ . 1 . 2]" 1
596 1 56 TYR HA 1 60 LYS QE 5.500 . 5.500 3.990 3.692 4.269 . 0 0 "[ . 1 . 2]" 1
597 2 56 TYR HA 2 60 LYS QE 5.500 . 5.500 3.984 3.691 4.246 . 0 0 "[ . 1 . 2]" 1
598 1 59 ILE MG 1 60 LYS QE 4.540 . 4.540 4.086 3.808 4.268 . 0 0 "[ . 1 . 2]" 1
599 2 59 ILE MG 2 60 LYS QE 4.540 . 4.540 4.085 3.802 4.271 . 0 0 "[ . 1 . 2]" 1
600 1 20 ARG HA 1 23 LEU HB2 4.610 . 4.610 3.291 3.113 3.421 . 0 0 "[ . 1 . 2]" 1
601 2 20 ARG HA 2 23 LEU HB2 4.610 . 4.610 3.230 3.086 3.405 . 0 0 "[ . 1 . 2]" 1
602 1 42 LEU HB3 1 43 GLN HA 5.500 . 5.500 4.824 4.746 4.893 . 0 0 "[ . 1 . 2]" 1
603 2 42 LEU HB3 2 43 GLN HA 5.500 . 5.500 4.838 4.798 4.880 . 0 0 "[ . 1 . 2]" 1
604 1 23 LEU HB2 1 24 ARG HG3 4.880 . 4.880 4.636 4.527 4.841 . 0 0 "[ . 1 . 2]" 1
605 2 23 LEU HB2 2 24 ARG HG3 4.880 . 4.880 4.721 4.616 4.904 0.024 20 0 "[ . 1 . 2]" 1
606 1 67 GLN QB 2 30 LEU HB2 5.470 . 5.470 5.460 5.277 5.547 0.077 14 0 "[ . 1 . 2]" 1
607 1 30 LEU HB2 2 67 GLN QB 5.470 . 5.470 5.463 5.205 5.550 0.080 14 0 "[ . 1 . 2]" 1
608 1 67 GLN QB 2 30 LEU HB3 4.420 . 4.420 4.325 4.187 4.448 0.028 3 0 "[ . 1 . 2]" 1
609 1 30 LEU HB3 2 67 GLN QB 4.420 . 4.420 4.334 4.167 4.453 0.033 3 0 "[ . 1 . 2]" 1
610 1 75 ALA HA 1 78 ILE HB 5.340 . 5.340 4.979 4.826 5.258 . 0 0 "[ . 1 . 2]" 1
611 2 75 ALA HA 2 78 ILE HB 5.340 . 5.340 4.992 4.865 5.211 . 0 0 "[ . 1 . 2]" 1
612 1 78 ILE HB 1 79 LYS HA 5.500 . 5.500 4.443 4.301 4.608 . 0 0 "[ . 1 . 2]" 1
613 2 78 ILE HB 2 79 LYS HA 5.500 . 5.500 4.439 4.320 4.648 . 0 0 "[ . 1 . 2]" 1
614 1 56 TYR QD 1 59 ILE HB 5.360 . 5.360 5.228 5.151 5.270 . 0 0 "[ . 1 . 2]" 1
615 2 56 TYR QD 2 59 ILE HB 5.360 . 5.360 5.225 5.111 5.264 . 0 0 "[ . 1 . 2]" 1
616 1 56 TYR HA 1 59 ILE HB 4.250 . 4.250 4.173 4.101 4.238 . 0 0 "[ . 1 . 2]" 1
617 2 56 TYR HA 2 59 ILE HB 4.250 . 4.250 4.174 4.097 4.227 . 0 0 "[ . 1 . 2]" 1
618 1 59 ILE MD 1 63 ASN HB2 4.820 . 4.820 2.939 2.720 3.838 . 0 0 "[ . 1 . 2]" 1
619 2 59 ILE MD 2 63 ASN HB2 4.820 . 4.820 2.935 2.757 3.829 . 0 0 "[ . 1 . 2]" 1
620 1 60 LYS HA 1 63 ASN HB2 4.000 . 4.000 2.495 2.027 2.841 . 0 0 "[ . 1 . 2]" 1
621 2 60 LYS HA 2 63 ASN HB2 4.000 . 4.000 2.520 1.969 2.852 . 0 0 "[ . 1 . 2]" 1
622 1 60 LYS HA 1 63 ASN HB3 4.300 . 4.300 2.578 2.099 3.829 . 0 0 "[ . 1 . 2]" 1
623 2 60 LYS HA 2 63 ASN HB3 4.300 . 4.300 2.546 2.095 3.725 . 0 0 "[ . 1 . 2]" 1
624 1 63 ASN HB2 1 64 ALA HA 5.160 . 5.160 5.071 4.233 5.260 0.100 7 0 "[ . 1 . 2]" 1
625 2 63 ASN HB2 2 64 ALA HA 5.160 . 5.160 5.086 4.199 5.286 0.126 11 0 "[ . 1 . 2]" 1
626 1 63 ASN HB2 1 64 ALA MB 4.980 . 4.980 4.737 3.867 4.987 0.007 5 0 "[ . 1 . 2]" 1
627 2 63 ASN HB2 2 64 ALA MB 4.980 . 4.980 4.753 3.816 5.002 0.022 5 0 "[ . 1 . 2]" 1
628 1 27 GLU HA 1 27 GLU HG3 4.230 . 4.230 3.070 2.930 3.263 . 0 0 "[ . 1 . 2]" 1
629 2 27 GLU HA 2 27 GLU HG3 4.230 . 4.230 3.080 2.942 3.275 . 0 0 "[ . 1 . 2]" 1
630 1 27 GLU HG3 1 45 TRP HH2 5.500 . 5.500 5.017 4.680 5.452 . 0 0 "[ . 1 . 2]" 1
631 2 27 GLU HG3 2 45 TRP HH2 5.500 . 5.500 5.065 4.705 5.497 . 0 0 "[ . 1 . 2]" 1
632 1 27 GLU HA 1 27 GLU HG2 4.230 . 4.230 2.644 2.538 2.741 . 0 0 "[ . 1 . 2]" 1
633 2 27 GLU HA 2 27 GLU HG2 4.230 . 4.230 2.654 2.557 2.782 . 0 0 "[ . 1 . 2]" 1
634 1 27 GLU HG2 1 45 TRP HH2 5.500 . 5.500 5.526 5.421 5.587 0.087 1 0 "[ . 1 . 2]" 1
635 2 27 GLU HG2 2 45 TRP HH2 5.500 . 5.500 5.540 5.463 5.604 0.104 1 0 "[ . 1 . 2]" 1
636 1 69 LEU HB3 1 70 VAL HB 5.500 . 5.500 5.267 5.152 5.594 0.094 4 0 "[ . 1 . 2]" 1
637 2 69 LEU HB3 2 70 VAL HB 5.500 . 5.500 5.266 5.153 5.601 0.101 4 0 "[ . 1 . 2]" 1
638 1 70 VAL HB 1 71 ALA MB 5.140 . 5.140 5.005 4.925 5.096 . 0 0 "[ . 1 . 2]" 1
639 2 70 VAL HB 2 71 ALA MB 5.140 . 5.140 5.002 4.900 5.088 . 0 0 "[ . 1 . 2]" 1
640 1 61 LYS HB2 2 54 VAL HB 5.500 . 5.500 5.548 5.524 5.577 0.077 4 0 "[ . 1 . 2]" 1
641 1 54 VAL HB 2 61 LYS HB2 5.500 . 5.500 5.559 5.536 5.595 0.095 6 0 "[ . 1 . 2]" 1
642 1 61 LYS HD2 2 54 VAL HB 5.250 . 5.250 4.589 4.445 4.748 . 0 0 "[ . 1 . 2]" 1
643 1 54 VAL HB 2 61 LYS HD2 5.250 . 5.250 4.591 4.404 4.703 . 0 0 "[ . 1 . 2]" 1
644 1 49 THR MG 1 52 VAL HB 5.500 . 5.500 4.033 3.729 4.615 . 0 0 "[ . 1 . 2]" 1
645 2 49 THR MG 2 52 VAL HB 5.500 . 5.500 4.038 3.676 4.670 . 0 0 "[ . 1 . 2]" 1
646 1 56 TYR HA 1 59 ILE HG13 5.490 . 5.490 5.206 5.110 5.305 . 0 0 "[ . 1 . 2]" 1
647 2 56 TYR HA 2 59 ILE HG13 5.490 . 5.490 5.201 5.118 5.319 . 0 0 "[ . 1 . 2]" 1
648 1 77 LYS QB 1 78 ILE HG13 5.380 . 5.380 5.353 5.161 5.428 0.048 13 0 "[ . 1 . 2]" 1
649 2 77 LYS QB 2 78 ILE HG13 5.380 . 5.380 5.329 5.149 5.427 0.047 5 0 "[ . 1 . 2]" 1
650 1 78 ILE HG13 1 79 LYS HB3 5.500 . 5.500 4.421 4.081 4.747 . 0 0 "[ . 1 . 2]" 1
651 2 78 ILE HG13 2 79 LYS HB3 5.500 . 5.500 4.432 4.120 4.737 . 0 0 "[ . 1 . 2]" 1
652 1 23 LEU MD2 1 49 THR HA 4.760 . 4.760 4.725 4.484 4.797 0.037 14 0 "[ . 1 . 2]" 1
653 2 23 LEU MD1 2 49 THR HA 5.500 . 5.500 4.873 4.594 5.109 . 0 0 "[ . 1 . 2]" 1
654 1 23 LEU MD2 2 19 VAL HA 4.210 . 4.210 4.231 4.180 4.272 0.062 6 0 "[ . 1 . 2]" 1
655 1 23 LEU MD2 2 19 VAL HB 4.160 . 4.160 2.194 2.117 2.250 . 0 0 "[ . 1 . 2]" 1
656 1 23 LEU MD2 1 53 GLU QB 4.180 . 4.180 2.905 2.847 3.013 . 0 0 "[ . 1 . 2]" 1
657 2 23 LEU MD1 2 53 GLU QB 4.790 . 4.790 3.328 3.189 3.429 . 0 0 "[ . 1 . 2]" 1
658 1 23 LEU MD2 1 52 VAL HB 5.500 . 5.500 5.367 4.930 5.574 0.074 9 0 "[ . 1 . 2]" 1
659 1 23 LEU HB2 1 23 LEU MD2 3.390 . 3.390 2.271 2.239 2.303 . 0 0 "[ . 1 . 2]" 1
660 1 23 LEU MD2 1 24 ARG HG3 5.500 . 5.500 5.608 5.568 5.633 0.133 20 0 "[ . 1 . 2]" 1
661 1 22 ALA MB 1 23 LEU MD2 4.520 . 4.520 4.500 4.382 4.540 0.020 19 0 "[ . 1 . 2]" 1
662 1 23 LEU HB3 1 23 LEU MD2 3.380 . 3.380 3.187 3.159 3.213 . 0 0 "[ . 1 . 2]" 1
663 2 23 LEU HB3 2 23 LEU MD1 3.380 . 3.380 2.644 2.554 2.711 . 0 0 "[ . 1 . 2]" 1
664 1 23 LEU MD2 2 19 VAL MG2 5.500 . 5.500 1.813 1.770 1.869 . 0 0 "[ . 1 . 2]" 1
665 1 79 LYS QD 2 39 PRO HG3 4.970 . 4.970 4.665 3.560 5.021 0.051 15 0 "[ . 1 . 2]" 1
666 1 39 PRO HG3 2 79 LYS QD 4.970 . 4.970 4.709 3.391 5.038 0.068 3 0 "[ . 1 . 2]" 1
667 1 39 PRO HG3 1 41 ALA MB 5.190 . 5.190 4.277 4.032 4.631 . 0 0 "[ . 1 . 2]" 1
668 2 39 PRO HG3 2 41 ALA MB 5.190 . 5.190 4.226 3.847 4.660 . 0 0 "[ . 1 . 2]" 1
669 1 38 ALA HA 1 39 PRO HG2 4.940 . 4.940 4.602 4.423 4.785 . 0 0 "[ . 1 . 2]" 1
670 2 38 ALA HA 2 39 PRO HG2 4.940 . 4.940 4.608 4.446 4.841 . 0 0 "[ . 1 . 2]" 1
671 1 56 TYR QD 1 59 ILE MD 4.550 . 4.550 2.778 2.645 2.905 . 0 0 "[ . 1 . 2]" 1
672 2 56 TYR QD 2 59 ILE MD 4.550 . 4.550 2.768 2.619 2.954 . 0 0 "[ . 1 . 2]" 1
673 1 56 TYR HA 1 59 ILE MD 3.830 . 3.830 3.770 3.699 3.831 0.001 20 0 "[ . 1 . 2]" 1
674 2 56 TYR HA 2 59 ILE MD 3.830 . 3.830 3.762 3.704 3.835 0.005 3 0 "[ . 1 . 2]" 1
675 1 59 ILE HA 1 59 ILE MD 3.800 . 3.800 3.599 3.550 3.713 . 0 0 "[ . 1 . 2]" 1
676 2 59 ILE HA 2 59 ILE MD 3.800 . 3.800 3.598 3.542 3.692 . 0 0 "[ . 1 . 2]" 1
677 1 59 ILE MD 1 62 GLN HG3 5.030 . 5.030 4.766 4.641 4.893 . 0 0 "[ . 1 . 2]" 1
678 2 59 ILE MD 2 62 GLN HG3 5.030 . 5.030 4.761 4.586 4.937 . 0 0 "[ . 1 . 2]" 1
679 1 59 ILE HB 1 59 ILE MD 3.510 . 3.510 3.246 3.190 3.262 . 0 0 "[ . 1 . 2]" 1
680 2 59 ILE HB 2 59 ILE MD 3.510 . 3.510 3.247 3.211 3.260 . 0 0 "[ . 1 . 2]" 1
681 1 59 ILE MD 1 60 LYS QD 4.400 . 4.400 3.636 3.515 3.791 . 0 0 "[ . 1 . 2]" 1
682 2 59 ILE MD 2 60 LYS QD 4.400 . 4.400 3.636 3.534 3.788 . 0 0 "[ . 1 . 2]" 1
683 1 56 TYR QD 1 59 ILE MG 4.560 . 4.560 2.507 2.414 2.579 . 0 0 "[ . 1 . 2]" 1
684 2 56 TYR QD 2 59 ILE MG 4.560 . 4.560 2.504 2.387 2.593 . 0 0 "[ . 1 . 2]" 1
685 1 56 TYR HE2 1 59 ILE MG 5.500 . 5.500 4.740 3.393 5.377 . 0 0 "[ . 1 . 2]" 1
686 2 56 TYR QE 2 59 ILE MG 5.500 . 5.500 3.453 3.173 3.602 . 0 0 "[ . 1 . 2]" 1
687 1 59 ILE MG 1 60 LYS HA 4.330 . 4.330 3.834 3.741 3.954 . 0 0 "[ . 1 . 2]" 1
688 2 59 ILE MG 2 60 LYS HA 4.330 . 4.330 3.840 3.720 3.968 . 0 0 "[ . 1 . 2]" 1
689 1 59 ILE HA 1 59 ILE MG 3.380 . 3.380 3.190 3.164 3.204 . 0 0 "[ . 1 . 2]" 1
690 2 59 ILE HA 2 59 ILE MG 3.380 . 3.380 3.188 3.162 3.205 . 0 0 "[ . 1 . 2]" 1
691 1 56 TYR HB2 1 59 ILE MG 5.460 . 5.460 4.085 4.024 4.128 . 0 0 "[ . 1 . 2]" 1
692 2 56 TYR HB2 2 59 ILE MG 5.460 . 5.460 4.088 4.030 4.134 . 0 0 "[ . 1 . 2]" 1
693 1 59 ILE MG 1 63 ASN HB2 5.500 . 5.500 5.004 4.858 5.520 0.020 9 0 "[ . 1 . 2]" 1
694 2 59 ILE MG 2 63 ASN HB2 5.500 . 5.500 5.008 4.883 5.561 0.061 9 0 "[ . 1 . 2]" 1
695 1 55 GLN QB 1 59 ILE MG 4.640 . 4.640 4.248 4.143 4.372 . 0 0 "[ . 1 . 2]" 1
696 2 55 GLN QB 2 59 ILE MG 4.640 . 4.640 4.260 4.107 4.389 . 0 0 "[ . 1 . 2]" 1
697 1 59 ILE HG12 1 59 ILE MG 3.470 . 3.470 3.140 3.113 3.157 . 0 0 "[ . 1 . 2]" 1
698 2 59 ILE HG12 2 59 ILE MG 3.470 . 3.470 3.140 3.119 3.161 . 0 0 "[ . 1 . 2]" 1
699 1 75 ALA HA 1 78 ILE MG 3.640 . 3.640 3.737 3.705 3.810 0.170 8 0 "[ . 1 . 2]" 1
700 2 75 ALA HA 2 78 ILE MG 3.640 . 3.640 3.735 3.696 3.813 0.173 8 0 "[ . 1 . 2]" 1
701 1 78 ILE HG12 1 78 ILE MG 3.440 . 3.440 2.168 2.044 2.218 . 0 0 "[ . 1 . 2]" 1
702 2 78 ILE HG12 2 78 ILE MG 3.440 . 3.440 2.151 2.057 2.222 . 0 0 "[ . 1 . 2]" 1
703 1 19 VAL HA 2 22 ALA MB 3.130 . 3.130 3.223 3.175 3.270 0.140 16 0 "[ . 1 . 2]" 1
704 1 22 ALA MB 2 19 VAL HA 3.130 . 3.130 3.216 3.171 3.260 0.130 16 0 "[ . 1 . 2]" 1
705 1 18 GLN HG3 1 22 ALA MB 4.960 . 4.960 3.424 2.873 4.706 . 0 0 "[ . 1 . 2]" 1
706 2 18 GLN HG3 2 22 ALA MB 4.960 . 4.960 3.422 2.829 4.645 . 0 0 "[ . 1 . 2]" 1
707 1 19 VAL HB 2 22 ALA MB 4.010 . 4.010 3.464 3.376 3.654 . 0 0 "[ . 1 . 2]" 1
708 1 22 ALA MB 2 19 VAL HB 4.010 . 4.010 3.455 3.348 3.605 . 0 0 "[ . 1 . 2]" 1
709 1 22 ALA MB 1 23 LEU HB2 4.590 . 4.590 4.045 3.915 4.178 . 0 0 "[ . 1 . 2]" 1
710 2 22 ALA MB 2 23 LEU HB2 4.590 . 4.590 4.053 3.928 4.206 . 0 0 "[ . 1 . 2]" 1
711 1 22 ALA MB 1 25 LYS HB2 5.280 . 5.280 4.536 3.976 4.815 . 0 0 "[ . 1 . 2]" 1
712 2 22 ALA MB 2 25 LYS HB2 5.280 . 5.280 4.501 3.844 4.808 . 0 0 "[ . 1 . 2]" 1
713 1 22 ALA MB 1 25 LYS HB3 5.280 . 5.280 3.950 3.524 5.291 0.011 17 0 "[ . 1 . 2]" 1
714 2 22 ALA MB 2 25 LYS HB3 5.280 . 5.280 3.996 3.508 5.286 0.006 15 0 "[ . 1 . 2]" 1
715 1 19 VAL MG2 2 22 ALA MB 4.080 . 4.080 4.110 4.082 4.136 0.056 7 0 "[ . 1 . 2]" 1
716 1 22 ALA MB 2 19 VAL MG2 4.080 . 4.080 4.104 4.073 4.135 0.055 7 0 "[ . 1 . 2]" 1
717 1 19 VAL MG1 2 22 ALA MB 3.490 . 3.490 1.787 1.766 1.838 . 0 0 "[ . 1 . 2]" 1
718 1 22 ALA MB 2 19 VAL MG1 3.490 . 3.490 1.786 1.764 1.833 . 0 0 "[ . 1 . 2]" 1
719 1 33 HIS HD2 1 38 ALA MB 4.220 . 4.220 2.546 2.052 3.388 . 0 0 "[ . 1 . 2]" 1
720 2 33 HIS HD2 2 38 ALA MB 4.220 . 4.220 2.551 2.061 3.462 . 0 0 "[ . 1 . 2]" 1
721 1 38 ALA MB 1 39 PRO HG2 4.050 . 4.050 3.741 3.587 3.898 . 0 0 "[ . 1 . 2]" 1
722 2 38 ALA MB 2 39 PRO HG2 4.050 . 4.050 3.722 3.544 3.930 . 0 0 "[ . 1 . 2]" 1
723 1 38 ALA MB 1 42 LEU MD2 3.850 . 3.850 3.324 3.146 3.427 . 0 0 "[ . 1 . 2]" 1
724 2 38 ALA MB 2 42 LEU MD2 3.850 . 3.850 3.324 3.165 3.422 . 0 0 "[ . 1 . 2]" 1
725 1 38 ALA MB 1 43 GLN HG3 4.910 . 4.910 5.016 4.961 5.054 0.144 9 0 "[ . 1 . 2]" 1
726 2 38 ALA MB 2 43 GLN HG3 4.910 . 4.910 5.011 4.968 5.067 0.157 7 0 "[ . 1 . 2]" 1
727 1 79 LYS QE 2 38 ALA MB 4.900 . 4.900 4.111 3.683 4.638 . 0 0 "[ . 1 . 2]" 1
728 1 38 ALA MB 2 79 LYS QE 4.900 . 4.900 4.133 3.649 5.067 0.167 16 0 "[ . 1 . 2]" 1
729 1 5 ALA MB 1 9 GLN QG 3.970 . 3.970 3.041 1.919 3.992 0.022 12 0 "[ . 1 . 2]" 1
730 2 5 ALA MB 2 9 GLN QG 3.970 . 3.970 3.045 1.983 3.896 . 0 0 "[ . 1 . 2]" 1
731 1 4 MET ME 1 5 ALA MB 4.950 . 4.950 4.378 3.267 5.072 0.122 6 0 "[ . 1 . 2]" 1
732 2 4 MET ME 2 5 ALA MB 4.950 . 4.950 4.379 3.250 5.103 0.153 1 0 "[ . 1 . 2]" 1
733 1 45 TRP HH2 1 49 THR MG 3.930 . 3.930 3.132 3.021 3.266 . 0 0 "[ . 1 . 2]" 1
734 2 45 TRP HH2 2 49 THR MG 3.930 . 3.930 3.158 3.082 3.304 . 0 0 "[ . 1 . 2]" 1
735 1 45 TRP HZ3 1 49 THR MG 4.170 . 4.170 3.632 3.487 3.805 . 0 0 "[ . 1 . 2]" 1
736 2 45 TRP HZ3 2 49 THR MG 4.170 . 4.170 3.690 3.563 3.804 . 0 0 "[ . 1 . 2]" 1
737 1 49 THR MG 1 50 HIS HA 4.670 . 4.670 3.823 3.752 3.942 . 0 0 "[ . 1 . 2]" 1
738 2 49 THR MG 2 50 HIS HA 4.670 . 4.670 3.816 3.712 3.920 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU HA 1 49 THR MG 4.560 . 4.560 3.972 3.864 4.075 . 0 0 "[ . 1 . 2]" 1
740 2 46 LEU HA 2 49 THR MG 4.560 . 4.560 3.973 3.895 4.053 . 0 0 "[ . 1 . 2]" 1
741 1 16 LEU HA 2 49 THR MG 4.730 . 4.730 3.438 3.242 3.764 . 0 0 "[ . 1 . 2]" 1
742 1 49 THR MG 2 16 LEU HA 4.730 . 4.730 3.452 3.310 3.846 . 0 0 "[ . 1 . 2]" 1
743 1 49 THR HA 1 49 THR MG 3.110 . 3.110 2.326 2.247 2.365 . 0 0 "[ . 1 . 2]" 1
744 2 49 THR HA 2 49 THR MG 3.110 . 3.110 2.328 2.265 2.369 . 0 0 "[ . 1 . 2]" 1
745 1 49 THR MG 1 53 GLU HG2 4.510 . 4.510 3.550 3.357 3.761 . 0 0 "[ . 1 . 2]" 1
746 1 49 THR MG 1 53 GLU QB 4.000 . 4.000 3.124 2.932 3.274 . 0 0 "[ . 1 . 2]" 1
747 2 49 THR MG 2 53 GLU QB 4.000 . 4.000 3.125 2.908 3.270 . 0 0 "[ . 1 . 2]" 1
748 1 48 LEU HB3 1 49 THR MG 5.500 . 5.500 5.505 5.435 5.573 0.073 14 0 "[ . 1 . 2]" 1
749 2 48 LEU HB3 2 49 THR MG 5.500 . 5.500 5.509 5.465 5.568 0.068 14 0 "[ . 1 . 2]" 1
750 1 26 ALA MB 1 49 THR MG 3.820 . 3.820 3.719 3.575 3.857 0.037 14 0 "[ . 1 . 2]" 1
751 2 26 ALA MB 2 49 THR MG 3.820 . 3.820 3.701 3.571 3.867 0.047 14 0 "[ . 1 . 2]" 1
752 1 30 LEU HB2 1 30 LEU MD1 3.660 . 3.660 3.176 3.121 3.254 . 0 0 "[ . 1 . 2]" 1
753 2 30 LEU HB2 2 30 LEU MD1 3.660 . 3.660 3.182 3.142 3.261 . 0 0 "[ . 1 . 2]" 1
754 1 67 GLN QB 2 30 LEU MD1 4.740 . 4.740 2.559 1.985 3.532 . 0 0 "[ . 1 . 2]" 1
755 1 30 LEU MD1 2 67 GLN QB 4.740 . 4.740 2.602 1.943 3.575 . 0 0 "[ . 1 . 2]" 1
756 1 27 GLU HA 1 30 LEU MD1 5.500 . 5.500 4.550 4.406 5.107 . 0 0 "[ . 1 . 2]" 1
757 2 27 GLU HA 2 30 LEU MD1 5.500 . 5.500 4.539 4.404 5.068 . 0 0 "[ . 1 . 2]" 1
758 1 30 LEU HA 1 30 LEU MD1 3.860 . 3.860 3.002 2.532 3.155 . 0 0 "[ . 1 . 2]" 1
759 2 30 LEU HA 2 30 LEU MD1 3.860 . 3.860 3.021 2.594 3.153 . 0 0 "[ . 1 . 2]" 1
760 1 68 LEU HA 2 30 LEU MD1 4.480 . 4.480 3.276 3.194 3.589 . 0 0 "[ . 1 . 2]" 1
761 1 30 LEU MD1 2 68 LEU HA 4.480 . 4.480 3.293 3.173 3.555 . 0 0 "[ . 1 . 2]" 1
762 1 30 LEU MD1 1 45 TRP HD1 4.930 . 4.930 3.972 3.863 4.164 . 0 0 "[ . 1 . 2]" 1
763 2 30 LEU MD1 2 45 TRP HD1 4.930 . 4.930 3.966 3.859 4.162 . 0 0 "[ . 1 . 2]" 1
764 1 30 LEU MD2 1 45 TRP HD1 4.930 . 4.930 1.848 1.800 1.883 . 0 0 "[ . 1 . 2]" 1
765 2 30 LEU MD2 2 45 TRP HD1 4.930 . 4.930 1.847 1.781 1.923 . 0 0 "[ . 1 . 2]" 1
766 1 68 LEU HA 2 30 LEU MD2 4.480 . 4.480 4.515 4.350 4.548 0.068 9 0 "[ . 1 . 2]" 1
767 1 30 LEU MD2 2 68 LEU HA 4.480 . 4.480 4.513 4.352 4.547 0.067 9 0 "[ . 1 . 2]" 1
768 1 30 LEU HA 1 30 LEU MD2 3.860 . 3.860 2.047 1.911 2.325 . 0 0 "[ . 1 . 2]" 1
769 2 30 LEU HA 2 30 LEU MD2 3.860 . 3.860 2.041 1.957 2.265 . 0 0 "[ . 1 . 2]" 1
770 1 27 GLU HA 1 30 LEU MD2 5.500 . 5.500 4.785 4.228 5.049 . 0 0 "[ . 1 . 2]" 1
771 2 27 GLU HA 2 30 LEU MD2 5.500 . 5.500 4.797 4.263 5.082 . 0 0 "[ . 1 . 2]" 1
772 1 29 GLU QG 1 30 LEU MD2 5.500 . 5.500 4.192 3.783 4.752 . 0 0 "[ . 1 . 2]" 1
773 2 29 GLU QG 2 30 LEU MD2 5.500 . 5.500 4.167 3.755 4.704 . 0 0 "[ . 1 . 2]" 1
774 1 67 GLN QB 2 30 LEU MD2 4.740 . 4.740 4.749 4.135 4.863 0.123 4 0 "[ . 1 . 2]" 1
775 1 30 LEU MD2 2 67 GLN QB 4.740 . 4.740 4.763 4.098 4.875 0.135 4 0 "[ . 1 . 2]" 1
776 1 30 LEU HB2 1 30 LEU MD2 3.660 . 3.660 2.566 2.255 2.707 . 0 0 "[ . 1 . 2]" 1
777 2 30 LEU HB2 2 30 LEU MD2 3.660 . 3.660 2.566 2.300 2.683 . 0 0 "[ . 1 . 2]" 1
778 1 45 TRP HB2 1 46 LEU HB2 5.500 . 5.500 5.478 5.312 5.634 0.134 6 0 "[ . 1 . 2]" 1
779 2 45 TRP HB2 2 46 LEU HB2 5.500 . 5.500 5.465 5.321 5.628 0.128 6 0 "[ . 1 . 2]" 1
780 1 45 TRP HB3 1 46 LEU HB2 5.160 . 5.160 4.232 4.013 4.332 . 0 0 "[ . 1 . 2]" 1
781 2 45 TRP HB3 2 46 LEU HB2 5.160 . 5.160 4.225 4.033 4.336 . 0 0 "[ . 1 . 2]" 1
782 1 30 LEU MD1 1 45 TRP HB3 5.500 . 5.500 5.696 5.623 5.773 0.273 3 0 "[ . 1 . 2]" 1
783 2 30 LEU MD1 2 45 TRP HB3 5.500 . 5.500 5.698 5.616 5.771 0.271 17 0 "[ . 1 . 2]" 1
784 1 30 LEU MD2 1 45 TRP HB3 5.500 . 5.500 3.678 3.574 3.795 . 0 0 "[ . 1 . 2]" 1
785 2 30 LEU MD2 2 45 TRP HB3 5.500 . 5.500 3.677 3.560 3.789 . 0 0 "[ . 1 . 2]" 1
786 1 45 TRP HB3 1 46 LEU HA 5.260 . 5.260 4.628 4.553 4.681 . 0 0 "[ . 1 . 2]" 1
787 2 45 TRP HB3 2 46 LEU HA 5.260 . 5.260 4.629 4.556 4.688 . 0 0 "[ . 1 . 2]" 1
788 1 47 GLN HA 1 50 HIS HB2 4.480 . 4.480 4.021 3.702 4.335 . 0 0 "[ . 1 . 2]" 1
789 2 47 GLN HA 2 50 HIS HB2 4.480 . 4.480 4.060 3.664 4.365 . 0 0 "[ . 1 . 2]" 1
790 1 65 GLU HG2 2 50 HIS HB2 5.500 . 5.500 4.767 4.322 5.145 . 0 0 "[ . 1 . 2]" 1
791 1 50 HIS HB2 2 65 GLU HG2 5.500 . 5.500 4.745 4.201 5.209 . 0 0 "[ . 1 . 2]" 1
792 1 65 GLU HG2 2 50 HIS HB3 5.500 . 5.500 5.188 4.766 5.449 . 0 0 "[ . 1 . 2]" 1
793 1 50 HIS HB3 2 65 GLU HG2 5.500 . 5.500 5.175 4.669 5.504 0.004 3 0 "[ . 1 . 2]" 1
794 1 46 LEU MD2 1 50 HIS HB2 6.270 . 6.270 4.219 3.349 4.552 . 0 0 "[ . 1 . 2]" 1
795 2 46 LEU MD2 2 50 HIS HB2 6.270 . 6.270 4.256 3.528 4.593 . 0 0 "[ . 1 . 2]" 1
796 1 50 HIS HB2 1 54 VAL MG2 5.500 . 5.500 4.513 4.455 4.603 . 0 0 "[ . 1 . 2]" 1
797 1 70 VAL MG2 1 71 ALA HA 3.730 . 3.730 3.330 3.167 3.441 . 0 0 "[ . 1 . 2]" 1
798 2 70 VAL MG2 2 71 ALA HA 3.730 . 3.730 3.300 3.190 3.493 . 0 0 "[ . 1 . 2]" 1
799 1 67 GLN HA 1 70 VAL MG2 3.710 . 3.710 2.364 2.217 2.678 . 0 0 "[ . 1 . 2]" 1
800 2 67 GLN HA 2 70 VAL MG2 3.710 . 3.710 2.347 2.221 2.594 . 0 0 "[ . 1 . 2]" 1
801 1 67 GLN HG2 1 70 VAL MG2 5.500 . 5.500 4.506 3.835 5.166 . 0 0 "[ . 1 . 2]" 1
802 2 67 GLN HG3 2 70 VAL MG2 5.010 . 5.010 3.671 3.483 4.066 . 0 0 "[ . 1 . 2]" 1
803 1 67 GLN HG3 1 70 VAL MG2 5.500 . 5.500 3.747 3.450 4.381 . 0 0 "[ . 1 . 2]" 1
804 2 67 GLN HG2 2 70 VAL MG2 5.500 . 5.500 4.520 3.927 5.150 . 0 0 "[ . 1 . 2]" 1
805 1 69 LEU HB2 1 70 VAL MG2 4.960 . 4.960 4.806 4.003 5.002 0.042 8 0 "[ . 1 . 2]" 1
806 2 69 LEU HB2 2 70 VAL MG2 4.960 . 4.960 4.820 4.033 5.011 0.051 8 0 "[ . 1 . 2]" 1
807 1 69 LEU HB3 1 70 VAL MG2 4.920 . 4.920 4.093 3.720 4.884 . 0 0 "[ . 1 . 2]" 1
808 2 69 LEU HB3 2 70 VAL MG2 4.920 . 4.920 4.114 3.718 4.896 . 0 0 "[ . 1 . 2]" 1
809 1 70 VAL MG2 1 71 ALA MB 3.960 . 3.960 3.029 2.928 3.146 . 0 0 "[ . 1 . 2]" 1
810 2 70 VAL MG2 2 71 ALA MB 3.960 . 3.960 3.004 2.898 3.081 . 0 0 "[ . 1 . 2]" 1
811 1 70 VAL MG1 1 71 ALA HA 5.500 . 5.500 5.434 5.374 5.482 . 0 0 "[ . 1 . 2]" 1
812 2 70 VAL MG1 2 71 ALA HA 5.500 . 5.500 5.413 5.383 5.471 . 0 0 "[ . 1 . 2]" 1
813 1 70 VAL HA 1 70 VAL MG1 2.720 . 2.720 2.379 2.344 2.440 . 0 0 "[ . 1 . 2]" 1
814 2 70 VAL HA 2 70 VAL MG1 2.720 . 2.720 2.384 2.325 2.457 . 0 0 "[ . 1 . 2]" 1
815 1 66 LYS QE 1 70 VAL MG1 3.730 . 3.730 2.217 1.863 2.754 . 0 0 "[ . 1 . 2]" 1
816 2 66 LYS QE 2 70 VAL MG1 3.730 . 3.730 2.230 1.976 2.802 . 0 0 "[ . 1 . 2]" 1
817 2 67 GLN HG3 2 70 VAL MG1 5.500 . 5.500 5.590 5.524 5.660 0.160 20 0 "[ . 1 . 2]" 1
818 1 70 VAL MG1 1 73 GLU HG3 5.330 . 5.330 5.258 4.922 5.397 0.067 16 0 "[ . 1 . 2]" 1
819 2 70 VAL MG1 2 73 GLU HG3 5.330 . 5.330 5.325 5.129 5.411 0.081 6 0 "[ . 1 . 2]" 1
820 1 69 LEU HB2 1 70 VAL MG1 4.060 . 4.060 3.908 2.900 4.143 0.083 1 0 "[ . 1 . 2]" 1
821 2 69 LEU HB2 2 70 VAL MG1 4.060 . 4.060 3.903 2.982 4.123 0.063 1 0 "[ . 1 . 2]" 1
822 1 69 LEU HB3 1 70 VAL MG1 3.590 . 3.590 2.773 2.556 3.353 . 0 0 "[ . 1 . 2]" 1
823 2 69 LEU HB3 2 70 VAL MG1 3.590 . 3.590 2.788 2.559 3.391 . 0 0 "[ . 1 . 2]" 1
824 1 70 VAL MG1 1 71 ALA MB 5.500 . 5.500 5.002 4.946 5.104 . 0 0 "[ . 1 . 2]" 1
825 2 70 VAL MG1 2 71 ALA MB 5.500 . 5.500 4.967 4.866 5.060 . 0 0 "[ . 1 . 2]" 1
826 1 17 GLU HA 1 19 VAL MG2 4.040 . 4.040 4.111 4.051 4.217 0.177 11 0 "[ . 1 . 2]" 1
827 2 17 GLU HA 2 19 VAL MG2 4.040 . 4.040 4.101 4.015 4.161 0.121 2 0 "[ . 1 . 2]" 1
828 1 19 VAL HA 1 19 VAL MG2 3.350 . 3.350 3.234 3.219 3.249 . 0 0 "[ . 1 . 2]" 1
829 2 19 VAL HA 2 19 VAL MG2 3.350 . 3.350 3.230 3.214 3.248 . 0 0 "[ . 1 . 2]" 1
830 1 19 VAL MG2 1 20 ARG QD 4.700 . 4.700 3.665 3.491 3.852 . 0 0 "[ . 1 . 2]" 1
831 2 19 VAL MG2 2 20 ARG QD 4.700 . 4.700 3.628 3.405 3.786 . 0 0 "[ . 1 . 2]" 1
832 1 17 GLU QG 1 19 VAL MG2 5.240 . 5.240 5.181 4.927 5.325 0.085 13 0 "[ . 1 . 2]" 1
833 2 17 GLU QG 2 19 VAL MG2 5.240 . 5.240 5.169 4.992 5.328 0.088 13 0 "[ . 1 . 2]" 1
834 1 19 VAL MG2 1 20 ARG HB3 4.310 . 4.310 2.882 2.759 3.036 . 0 0 "[ . 1 . 2]" 1
835 2 19 VAL MG2 2 20 ARG HB3 4.310 . 4.310 2.879 2.756 3.050 . 0 0 "[ . 1 . 2]" 1
836 1 23 LEU MD1 1 45 TRP HH2 4.420 . 4.420 3.961 3.568 4.381 . 0 0 "[ . 1 . 2]" 1
837 2 23 LEU MD2 2 45 TRP HH2 5.500 . 5.500 4.935 4.505 5.266 . 0 0 "[ . 1 . 2]" 1
838 1 23 LEU HA 1 23 LEU MD1 3.050 . 3.050 2.344 2.235 2.475 . 0 0 "[ . 1 . 2]" 1
839 2 23 LEU HA 2 23 LEU MD2 3.630 . 3.630 2.602 2.431 2.733 . 0 0 "[ . 1 . 2]" 1
840 1 23 LEU MD1 1 49 THR HB 4.540 . 4.540 4.292 4.063 4.474 . 0 0 "[ . 1 . 2]" 1
841 2 23 LEU MD2 2 49 THR HB 5.500 . 5.500 5.392 5.124 5.526 0.026 8 0 "[ . 1 . 2]" 1
842 1 23 LEU MD1 1 27 GLU HA 5.500 . 5.500 5.008 4.925 5.079 . 0 0 "[ . 1 . 2]" 1
843 1 23 LEU MD1 1 49 THR HA 5.500 . 5.500 4.941 4.600 5.194 . 0 0 "[ . 1 . 2]" 1
844 2 23 LEU MD2 2 49 THR HA 5.500 . 5.500 4.823 4.565 5.011 . 0 0 "[ . 1 . 2]" 1
845 1 23 LEU MD1 1 27 GLU HG3 4.360 . 4.360 2.690 2.559 2.773 . 0 0 "[ . 1 . 2]" 1
846 1 23 LEU MD1 1 53 GLU QB 4.790 . 4.790 3.371 3.246 3.499 . 0 0 "[ . 1 . 2]" 1
847 2 23 LEU MD2 2 53 GLU QB 4.790 . 4.790 2.881 2.787 2.977 . 0 0 "[ . 1 . 2]" 1
848 1 23 LEU MD1 2 60 LYS QB 4.240 . 4.240 3.467 3.095 3.923 . 0 0 "[ . 1 . 2]" 1
849 1 54 VAL MG2 2 61 LYS HD2 4.070 . 4.070 2.278 2.137 2.357 . 0 0 "[ . 1 . 2]" 1
850 1 23 LEU HB3 1 23 LEU MD1 2.950 . 2.950 2.594 2.518 2.686 . 0 0 "[ . 1 . 2]" 1
851 2 23 LEU HB3 2 23 LEU MD2 3.380 . 3.380 3.186 3.144 3.227 . 0 0 "[ . 1 . 2]" 1
852 1 50 HIS HD2 1 54 VAL MG2 4.170 . 4.170 2.802 2.342 3.078 . 0 0 "[ . 1 . 2]" 1
853 1 57 TYR HD1 2 54 VAL MG1 4.350 . 4.350 3.083 2.904 3.222 . 0 0 "[ . 1 . 2]" 1
854 1 54 VAL MG2 2 57 TYR HD1 4.350 . 4.350 2.439 2.226 2.663 . 0 0 "[ . 1 . 2]" 1
855 1 50 HIS HA 1 54 VAL MG2 4.390 . 4.390 3.233 3.088 3.303 . 0 0 "[ . 1 . 2]" 1
856 1 51 GLU HA 1 54 VAL MG2 3.730 . 3.730 3.638 3.453 3.757 0.027 19 0 "[ . 1 . 2]" 1
857 2 51 GLU HA 2 54 VAL MG1 4.840 . 4.840 4.546 4.368 4.702 . 0 0 "[ . 1 . 2]" 1
858 1 54 VAL HA 1 54 VAL MG2 2.950 . 2.950 2.368 2.345 2.384 . 0 0 "[ . 1 . 2]" 1
859 2 54 VAL HA 2 54 VAL MG1 3.610 . 3.610 2.437 2.394 2.472 . 0 0 "[ . 1 . 2]" 1
860 1 54 VAL MG2 2 57 TYR HB2 5.070 . 5.070 3.581 3.356 3.805 . 0 0 "[ . 1 . 2]" 1
861 1 23 LEU MD1 1 27 GLU HG2 4.360 . 4.360 3.440 3.219 3.589 . 0 0 "[ . 1 . 2]" 1
862 1 50 HIS HB3 1 54 VAL MG2 5.500 . 5.500 4.836 4.776 4.971 . 0 0 "[ . 1 . 2]" 1
863 1 56 TYR QD 1 60 LYS QG 4.920 . 4.920 2.414 2.231 2.728 . 0 0 "[ . 1 . 2]" 1
864 2 56 TYR QD 2 60 LYS QG 4.920 . 4.920 2.425 2.258 2.743 . 0 0 "[ . 1 . 2]" 1
865 1 60 LYS HA 1 60 LYS QG 3.940 . 3.940 2.456 2.404 2.492 . 0 0 "[ . 1 . 2]" 1
866 2 60 LYS HA 2 60 LYS QG 3.940 . 3.940 2.458 2.407 2.495 . 0 0 "[ . 1 . 2]" 1
867 1 24 ARG HG3 2 60 LYS QG 4.160 . 4.160 3.813 3.724 3.867 . 0 0 "[ . 1 . 2]" 1
868 1 60 LYS QG 2 24 ARG HG3 4.160 . 4.160 3.813 3.667 3.860 . 0 0 "[ . 1 . 2]" 1
869 1 59 ILE MG 1 60 LYS QG 3.730 . 3.730 2.267 2.122 2.446 . 0 0 "[ . 1 . 2]" 1
870 2 59 ILE MG 2 60 LYS QG 3.730 . 3.730 2.266 2.140 2.439 . 0 0 "[ . 1 . 2]" 1
871 1 24 ARG HG2 2 60 LYS QG 5.500 . 5.500 3.065 2.893 3.390 . 0 0 "[ . 1 . 2]" 1
872 1 60 LYS QG 2 24 ARG HG2 5.500 . 5.500 3.145 2.948 3.461 . 0 0 "[ . 1 . 2]" 1
873 1 23 LEU MD2 1 53 GLU HG2 5.500 . 5.500 4.823 4.711 4.979 . 0 0 "[ . 1 . 2]" 1
874 1 23 LEU MD2 1 45 TRP HZ3 5.500 . 5.500 5.511 5.306 5.598 0.098 8 0 "[ . 1 . 2]" 1
875 1 23 LEU MD2 1 45 TRP HH2 5.500 . 5.500 4.731 4.407 4.966 . 0 0 "[ . 1 . 2]" 1
876 2 23 LEU MD1 2 45 TRP HH2 5.500 . 5.500 3.951 3.631 4.360 . 0 0 "[ . 1 . 2]" 1
877 1 10 LYS HA 1 10 LYS HG2 3.960 . 3.960 3.549 3.107 3.954 . 0 0 "[ . 1 . 2]" 1
878 2 10 LYS HA 2 10 LYS HG2 3.960 . 3.960 3.555 3.142 3.946 . 0 0 "[ . 1 . 2]" 1
879 1 61 LYS HG2 1 65 GLU HG3 4.340 . 4.340 2.952 2.882 2.998 . 0 0 "[ . 1 . 2]" 1
880 2 61 LYS HG2 2 65 GLU HG3 4.340 . 4.340 2.943 2.896 2.982 . 0 0 "[ . 1 . 2]" 1
881 1 61 LYS QE 1 61 LYS HG2 3.720 . 3.720 3.024 2.973 3.069 . 0 0 "[ . 1 . 2]" 1
882 2 61 LYS QE 2 61 LYS HG2 3.720 . 3.720 3.019 2.966 3.066 . 0 0 "[ . 1 . 2]" 1
883 1 10 LYS HG3 1 14 GLU HB2 5.250 . 5.250 4.446 3.649 5.289 0.039 5 0 "[ . 1 . 2]" 1
884 2 10 LYS HG3 2 14 GLU HB2 5.250 . 5.250 4.425 3.614 5.309 0.059 5 0 "[ . 1 . 2]" 1
885 1 10 LYS HG2 1 14 GLU HB2 5.250 . 5.250 4.787 4.061 5.370 0.120 20 0 "[ . 1 . 2]" 1
886 2 10 LYS HG2 2 14 GLU HB2 5.250 . 5.250 4.787 3.908 5.363 0.113 20 0 "[ . 1 . 2]" 1
887 1 10 LYS HG3 1 11 TYR QD 5.500 . 5.500 4.979 4.277 5.410 . 0 0 "[ . 1 . 2]" 1
888 2 10 LYS HG3 2 11 TYR QD 5.500 . 5.500 4.967 4.223 5.420 . 0 0 "[ . 1 . 2]" 1
889 1 10 LYS HG2 1 11 TYR QD 5.500 . 5.500 4.326 3.515 5.380 . 0 0 "[ . 1 . 2]" 1
890 2 10 LYS HG2 2 11 TYR QD 5.500 . 5.500 4.316 3.510 5.359 . 0 0 "[ . 1 . 2]" 1
891 1 23 LEU HA 1 23 LEU HG 3.850 . 3.850 3.815 3.794 3.837 . 0 0 "[ . 1 . 2]" 1
892 2 23 LEU HA 2 23 LEU HG 3.850 . 3.850 3.805 3.773 3.842 . 0 0 "[ . 1 . 2]" 1
893 1 20 ARG HA 1 23 LEU HG 4.790 . 4.790 4.692 4.495 4.844 0.054 8 0 "[ . 1 . 2]" 1
894 2 20 ARG HA 2 23 LEU HG 4.790 . 4.790 4.690 4.532 4.824 0.034 8 0 "[ . 1 . 2]" 1
895 1 19 VAL HB 2 23 LEU HG 5.180 . 5.180 4.568 4.461 4.641 . 0 0 "[ . 1 . 2]" 1
896 1 23 LEU HG 2 19 VAL HB 5.180 . 5.180 4.529 4.446 4.616 . 0 0 "[ . 1 . 2]" 1
897 1 19 VAL MG1 2 23 LEU HG 5.010 . 5.010 5.015 4.906 5.069 0.059 4 0 "[ . 1 . 2]" 1
898 1 23 LEU HG 2 19 VAL MG1 5.010 . 5.010 5.008 4.887 5.079 0.069 4 0 "[ . 1 . 2]" 1
899 1 42 LEU HG 1 45 TRP HD1 5.100 . 5.100 3.704 3.460 3.854 . 0 0 "[ . 1 . 2]" 1
900 2 42 LEU HG 2 45 TRP HD1 5.100 . 5.100 3.692 3.419 3.818 . 0 0 "[ . 1 . 2]" 1
901 1 42 LEU HG 1 43 GLN HA 5.100 . 5.100 3.474 3.411 3.587 . 0 0 "[ . 1 . 2]" 1
902 2 42 LEU HG 2 43 GLN HA 5.100 . 5.100 3.475 3.393 3.588 . 0 0 "[ . 1 . 2]" 1
903 1 42 LEU HA 1 42 LEU HG 4.270 . 4.270 3.157 3.113 3.204 . 0 0 "[ . 1 . 2]" 1
904 2 42 LEU HA 2 42 LEU HG 4.270 . 4.270 3.164 3.136 3.205 . 0 0 "[ . 1 . 2]" 1
905 1 42 LEU HG 1 46 LEU HB2 4.730 . 4.730 4.401 4.199 4.646 . 0 0 "[ . 1 . 2]" 1
906 2 42 LEU HG 2 46 LEU HB2 4.730 . 4.730 4.409 4.174 4.642 . 0 0 "[ . 1 . 2]" 1
907 1 63 ASN HB3 1 67 GLN QB 4.690 . 4.690 4.377 3.539 4.735 0.045 6 0 "[ . 1 . 2]" 1
908 2 63 ASN HB3 2 67 GLN QB 4.690 . 4.690 4.382 3.531 4.736 0.046 16 0 "[ . 1 . 2]" 1
909 1 24 ARG HA 1 24 ARG HG2 3.670 . 3.670 2.834 2.699 3.186 . 0 0 "[ . 1 . 2]" 1
910 2 24 ARG HA 2 24 ARG HG2 3.670 . 3.670 2.853 2.723 3.209 . 0 0 "[ . 1 . 2]" 1
911 1 43 GLN QB 2 72 LYS HG3 4.820 . 4.820 3.927 3.467 4.578 . 0 0 "[ . 1 . 2]" 1
912 1 72 LYS HG3 2 43 GLN QB 4.820 . 4.820 3.911 3.458 4.371 . 0 0 "[ . 1 . 2]" 1
913 1 44 LYS QG 1 47 GLN HB3 5.310 . 5.310 4.554 4.103 4.933 . 0 0 "[ . 1 . 2]" 1
914 2 44 LYS QG 2 47 GLN HB3 5.310 . 5.310 4.529 4.071 4.979 . 0 0 "[ . 1 . 2]" 1
915 1 43 GLN QB 2 72 LYS HG2 4.880 . 4.880 3.548 3.281 3.736 . 0 0 "[ . 1 . 2]" 1
916 1 72 LYS HG2 2 43 GLN QB 4.880 . 4.880 3.527 3.286 3.709 . 0 0 "[ . 1 . 2]" 1
917 1 37 TYR HA 2 71 ALA MB 3.990 . 3.990 3.430 3.269 3.539 . 0 0 "[ . 1 . 2]" 1
918 1 71 ALA MB 2 37 TYR HA 3.990 . 3.990 3.438 3.284 3.577 . 0 0 "[ . 1 . 2]" 1
919 1 63 ASN HB3 1 64 ALA HA 5.050 . 5.050 3.818 3.705 4.163 . 0 0 "[ . 1 . 2]" 1
920 2 63 ASN HB3 2 64 ALA HA 5.050 . 5.050 3.828 3.746 4.111 . 0 0 "[ . 1 . 2]" 1
921 1 55 GLN HA 1 58 ASN HB2 4.450 . 4.450 4.036 3.820 4.363 . 0 0 "[ . 1 . 2]" 1
922 2 55 GLN HA 2 58 ASN HB2 4.450 . 4.450 3.977 3.575 4.227 . 0 0 "[ . 1 . 2]" 1
923 1 52 VAL MG1 1 56 TYR HB3 5.460 . 5.460 4.366 4.250 4.452 . 0 0 "[ . 1 . 2]" 1
924 1 56 TYR HB3 1 59 ILE MG 5.500 . 5.500 3.324 3.241 3.417 . 0 0 "[ . 1 . 2]" 1
925 2 56 TYR HB3 2 59 ILE MG 5.500 . 5.500 3.327 3.234 3.405 . 0 0 "[ . 1 . 2]" 1
926 1 52 VAL MG1 1 56 TYR HB2 4.490 . 4.490 3.175 3.074 3.285 . 0 0 "[ . 1 . 2]" 1
927 1 56 TYR HB2 1 57 TYR HA 5.170 . 5.170 4.763 4.669 4.880 . 0 0 "[ . 1 . 2]" 1
928 2 56 TYR HB2 2 57 TYR HA 5.170 . 5.170 4.761 4.662 4.960 . 0 0 "[ . 1 . 2]" 1
929 1 56 TYR HB3 1 57 TYR HA 4.170 . 4.170 4.215 4.179 4.254 0.084 12 0 "[ . 1 . 2]" 1
930 2 56 TYR HB3 2 57 TYR HA 4.170 . 4.170 4.214 4.162 4.256 0.086 12 0 "[ . 1 . 2]" 1
931 1 36 TRP HA 1 36 TRP HE3 4.960 . 4.960 3.409 2.174 4.978 0.018 17 0 "[ . 1 . 2]" 1
932 2 36 TRP HA 2 36 TRP HE3 4.960 . 4.960 3.424 2.202 4.960 . 0 0 "[ . 1 . 2]" 1
933 1 36 TRP HA 1 36 TRP HD1 4.430 . 4.430 3.951 2.835 4.567 0.137 13 0 "[ . 1 . 2]" 1
934 2 36 TRP HA 2 36 TRP HD1 4.430 . 4.430 3.947 2.919 4.558 0.128 13 0 "[ . 1 . 2]" 1
935 1 37 TYR HA 1 37 TYR HE1 4.950 . 4.950 4.933 4.787 4.990 0.040 1 0 "[ . 1 . 2]" 1
936 2 37 TYR HA 2 37 TYR HE1 4.950 . 4.950 4.928 4.739 4.982 0.032 1 0 "[ . 1 . 2]" 1
937 1 34 SER HA 1 37 TYR HA 4.310 . 4.310 2.048 1.927 2.255 . 0 0 "[ . 1 . 2]" 1
938 2 34 SER HA 2 37 TYR HA 4.310 . 4.310 2.051 1.911 2.224 . 0 0 "[ . 1 . 2]" 1
939 1 71 ALA HA 2 37 TYR HA 4.820 . 4.820 4.536 4.333 4.725 . 0 0 "[ . 1 . 2]" 1
940 1 37 TYR HA 2 71 ALA HA 4.820 . 4.820 4.509 4.269 4.688 . 0 0 "[ . 1 . 2]" 1
941 1 78 ILE MD 2 36 TRP HA 4.830 . 4.830 4.234 3.795 4.722 . 0 0 "[ . 1 . 2]" 1
942 1 36 TRP HA 2 78 ILE MD 4.830 . 4.830 4.221 3.852 4.787 . 0 0 "[ . 1 . 2]" 1
943 1 79 LYS QD 2 37 TYR HA 5.500 . 5.500 5.493 5.213 5.644 0.144 17 0 "[ . 1 . 2]" 1
944 1 37 TYR HA 2 79 LYS QD 5.500 . 5.500 5.485 5.266 5.582 0.082 20 0 "[ . 1 . 2]" 1
945 1 60 LYS HA 1 64 ALA MB 4.620 . 4.620 4.227 4.060 4.504 . 0 0 "[ . 1 . 2]" 1
946 2 60 LYS HA 2 64 ALA MB 4.620 . 4.620 4.230 4.031 4.537 . 0 0 "[ . 1 . 2]" 1
947 1 11 TYR HA 1 11 TYR QD 3.960 . 3.960 3.012 2.807 3.141 . 0 0 "[ . 1 . 2]" 1
948 2 11 TYR HA 2 11 TYR QD 3.960 . 3.960 3.005 2.872 3.150 . 0 0 "[ . 1 . 2]" 1
949 1 11 TYR HA 1 11 TYR HE1 5.190 . 5.190 5.362 4.744 5.590 0.400 9 0 "[ . 1 . 2]" 1
950 2 11 TYR HA 2 11 TYR HE1 5.190 . 5.190 5.328 4.839 5.590 0.400 19 0 "[ . 1 . 2]" 1
951 1 10 LYS HA 1 11 TYR HA 5.020 . 5.020 4.757 4.635 4.826 . 0 0 "[ . 1 . 2]" 1
952 2 10 LYS HA 2 11 TYR HA 5.020 . 5.020 4.753 4.665 4.830 . 0 0 "[ . 1 . 2]" 1
953 1 11 TYR HA 1 14 GLU HB2 3.710 . 3.710 2.513 2.252 2.751 . 0 0 "[ . 1 . 2]" 1
954 2 11 TYR HA 2 14 GLU HB2 3.710 . 3.710 2.521 2.368 2.718 . 0 0 "[ . 1 . 2]" 1
955 1 10 LYS QB 1 11 TYR HA 4.690 . 4.690 4.149 3.808 4.452 . 0 0 "[ . 1 . 2]" 1
956 2 10 LYS QB 2 11 TYR HA 4.690 . 4.690 4.150 3.806 4.500 . 0 0 "[ . 1 . 2]" 1
957 1 11 TYR HA 1 12 ALA MB 5.150 . 5.150 5.002 4.968 5.020 . 0 0 "[ . 1 . 2]" 1
958 2 11 TYR HA 2 12 ALA MB 5.150 . 5.150 5.000 4.963 5.030 . 0 0 "[ . 1 . 2]" 1
959 1 8 ARG HA 1 8 ARG QD 3.690 . 3.690 2.604 1.893 3.804 0.114 1 0 "[ . 1 . 2]" 1
960 2 8 ARG HA 2 8 ARG QD 3.690 . 3.690 2.597 1.929 3.824 0.134 1 0 "[ . 1 . 2]" 1
961 1 8 ARG HB2 1 8 ARG QD 3.600 . 3.600 3.173 2.432 3.506 . 0 0 "[ . 1 . 2]" 1
962 2 8 ARG HB2 2 8 ARG QD 3.600 . 3.600 3.169 2.399 3.512 . 0 0 "[ . 1 . 2]" 1
963 1 72 LYS QE 1 73 GLU HA 3.880 . 3.880 3.452 2.931 3.950 0.070 17 0 "[ . 1 . 2]" 1
964 2 72 LYS QE 2 73 GLU HA 3.880 . 3.880 3.456 2.986 3.954 0.074 17 0 "[ . 1 . 2]" 1
965 1 72 LYS QB 1 72 LYS QE 3.410 . 3.410 3.378 3.239 3.531 0.121 17 0 "[ . 1 . 2]" 1
966 2 72 LYS QB 2 72 LYS QE 3.410 . 3.410 3.382 3.218 3.541 0.131 17 0 "[ . 1 . 2]" 1
967 1 72 LYS HD3 1 72 LYS QE 2.400 . 2.400 2.227 2.091 2.308 . 0 0 "[ . 1 . 2]" 1
968 2 72 LYS HD3 2 72 LYS QE 2.400 . 2.400 2.221 2.098 2.308 . 0 0 "[ . 1 . 2]" 1
969 1 72 LYS QE 1 72 LYS HG2 2.760 . 2.760 2.141 2.055 2.282 . 0 0 "[ . 1 . 2]" 1
970 2 72 LYS QE 2 72 LYS HG2 2.760 . 2.760 2.136 2.049 2.245 . 0 0 "[ . 1 . 2]" 1
971 1 42 LEU MD2 2 72 LYS QE 4.850 . 4.850 4.934 4.778 5.013 0.163 19 0 "[ . 1 . 2]" 1
972 1 72 LYS QE 2 42 LEU MD2 4.850 . 4.850 4.941 4.843 4.989 0.139 16 0 "[ . 1 . 2]" 1
973 1 42 LEU HB2 1 43 GLN HA 5.500 . 5.500 5.427 5.386 5.461 . 0 0 "[ . 1 . 2]" 1
974 2 42 LEU HB2 2 43 GLN HA 5.500 . 5.500 5.425 5.391 5.456 . 0 0 "[ . 1 . 2]" 1
975 1 20 ARG HA 1 23 LEU HB3 4.500 . 4.500 3.457 3.307 3.553 . 0 0 "[ . 1 . 2]" 1
976 2 20 ARG HA 2 23 LEU HB3 4.500 . 4.500 3.459 3.364 3.593 . 0 0 "[ . 1 . 2]" 1
977 1 23 LEU HB3 1 24 ARG HG3 4.520 . 4.520 3.014 2.953 3.160 . 0 0 "[ . 1 . 2]" 1
978 2 23 LEU HB3 2 24 ARG HG3 4.520 . 4.520 3.123 3.019 3.255 . 0 0 "[ . 1 . 2]" 1
979 1 79 LYS HB3 2 39 PRO HB2 5.500 . 5.500 5.341 4.465 5.622 0.122 5 0 "[ . 1 . 2]" 1
980 1 39 PRO HB2 2 79 LYS HB3 5.500 . 5.500 5.342 4.351 5.626 0.126 3 0 "[ . 1 . 2]" 1
981 1 38 ALA HA 1 39 PRO HB3 5.100 . 5.100 4.867 4.678 5.089 . 0 0 "[ . 1 . 2]" 1
982 2 38 ALA HA 2 39 PRO HB3 5.100 . 5.100 4.853 4.634 5.099 . 0 0 "[ . 1 . 2]" 1
983 1 39 PRO HB2 1 42 LEU MD2 5.500 . 5.500 5.565 5.521 5.618 0.118 5 0 "[ . 1 . 2]" 1
984 2 39 PRO HB2 2 42 LEU MD2 5.500 . 5.500 5.563 5.524 5.621 0.121 5 0 "[ . 1 . 2]" 1
985 1 8 ARG HB3 1 11 TYR QD 5.500 . 5.500 4.873 4.448 5.444 . 0 0 "[ . 1 . 2]" 1
986 2 8 ARG HB3 2 11 TYR QD 5.500 . 5.500 4.867 4.351 5.471 . 0 0 "[ . 1 . 2]" 1
987 1 23 LEU MD1 1 26 ALA MB 3.390 . 3.390 3.200 3.082 3.357 . 0 0 "[ . 1 . 2]" 1
988 1 52 VAL H 1 54 VAL MG2 4.830 . 4.830 4.902 4.881 4.920 0.090 9 0 "[ . 1 . 2]" 1
989 1 6 SER HA 1 9 GLN QB 4.340 . 4.340 3.536 2.251 4.398 0.058 12 0 "[ . 1 . 2]" 1
990 2 6 SER HA 2 9 GLN QB 4.340 . 4.340 3.549 2.156 4.372 0.032 11 0 "[ . 1 . 2]" 1
991 1 2 SER HA 1 4 MET ME 5.500 . 5.500 5.119 3.811 5.602 0.102 18 0 "[ . 1 . 2]" 1
992 2 2 SER HA 2 4 MET ME 5.500 . 5.500 5.170 3.625 5.541 0.041 18 0 "[ . 1 . 2]" 1
993 1 54 VAL MG2 1 57 TYR HB3 4.380 . 4.380 4.155 4.062 4.223 . 0 0 "[ . 1 . 2]" 1
994 2 54 VAL MG1 2 57 TYR HB3 4.380 . 4.380 4.032 3.923 4.154 . 0 0 "[ . 1 . 2]" 1
995 1 23 LEU HB2 2 19 VAL HB 4.700 . 4.700 2.863 2.805 2.965 . 0 0 "[ . 1 . 2]" 1
996 1 19 VAL HB 2 23 LEU HB2 4.700 . 4.700 2.906 2.799 3.063 . 0 0 "[ . 1 . 2]" 1
997 1 42 LEU HG 2 71 ALA MB 3.650 . 3.650 3.290 3.256 3.354 . 0 0 "[ . 1 . 2]" 1
998 1 71 ALA MB 2 42 LEU HG 3.650 . 3.650 3.292 3.253 3.341 . 0 0 "[ . 1 . 2]" 1
999 1 42 LEU MD1 2 71 ALA MB 3.200 . 3.200 1.767 1.742 1.795 . 0 0 "[ . 1 . 2]" 1
1000 1 71 ALA MB 2 42 LEU MD1 3.200 . 3.200 1.761 1.737 1.812 . 0 0 "[ . 1 . 2]" 1
1001 1 46 LEU MD1 2 64 ALA MB 3.720 . 3.720 2.469 2.147 2.823 . 0 0 "[ . 1 . 2]" 1
1002 1 64 ALA MB 2 46 LEU MD1 3.720 . 3.720 2.519 2.145 2.901 . 0 0 "[ . 1 . 2]" 1
1003 1 37 TYR HB3 2 71 ALA MB 4.020 . 4.020 3.252 3.202 3.341 . 0 0 "[ . 1 . 2]" 1
1004 1 71 ALA MB 2 37 TYR HB3 4.020 . 4.020 3.257 3.191 3.345 . 0 0 "[ . 1 . 2]" 1
1005 1 43 GLN HG3 2 71 ALA MB 4.940 . 4.940 4.928 4.782 4.986 0.046 18 0 "[ . 1 . 2]" 1
1006 1 71 ALA MB 2 43 GLN HG3 4.940 . 4.940 4.920 4.808 4.966 0.026 12 0 "[ . 1 . 2]" 1
1007 1 43 GLN HG2 2 71 ALA MB 4.350 . 4.350 4.391 4.344 4.432 0.082 18 0 "[ . 1 . 2]" 1
1008 1 71 ALA MB 2 43 GLN HG2 4.350 . 4.350 4.385 4.354 4.421 0.071 3 0 "[ . 1 . 2]" 1
1009 1 26 ALA MB 2 15 GLU HB3 3.650 . 3.650 2.756 2.187 3.543 . 0 0 "[ . 1 . 2]" 1
1010 1 63 ASN HB3 1 64 ALA MB 4.570 . 4.570 3.721 3.419 4.557 . 0 0 "[ . 1 . 2]" 1
1011 2 63 ASN HB3 2 64 ALA MB 4.570 . 4.570 3.717 3.409 4.466 . 0 0 "[ . 1 . 2]" 1
1012 1 72 LYS QE 1 75 ALA MB 4.160 . 4.160 4.112 3.693 4.243 0.083 6 0 "[ . 1 . 2]" 1
1013 2 72 LYS QE 2 75 ALA MB 4.160 . 4.160 4.114 3.658 4.222 0.062 6 0 "[ . 1 . 2]" 1
1014 1 39 PRO HB2 1 41 ALA MB 4.360 . 4.360 4.397 4.362 4.427 0.067 5 0 "[ . 1 . 2]" 1
1015 2 39 PRO HB2 2 41 ALA MB 4.360 . 4.360 4.396 4.367 4.450 0.090 3 0 "[ . 1 . 2]" 1
1016 1 9 GLN QB 1 12 ALA MB 4.630 . 4.630 3.677 3.219 4.254 . 0 0 "[ . 1 . 2]" 1
1017 2 9 GLN QB 2 12 ALA MB 4.630 . 4.630 3.677 3.183 4.333 . 0 0 "[ . 1 . 2]" 1
1018 1 42 LEU MD1 1 45 TRP HD1 4.190 . 4.190 4.185 4.115 4.220 0.030 7 0 "[ . 1 . 2]" 1
1019 2 42 LEU MD1 2 45 TRP HD1 4.190 . 4.190 4.172 4.026 4.230 0.040 7 0 "[ . 1 . 2]" 1
1020 1 42 LEU MD1 1 43 GLN HA 4.670 . 4.670 4.718 4.684 4.762 0.092 6 0 "[ . 1 . 2]" 1
1021 2 42 LEU MD1 2 43 GLN HA 4.670 . 4.670 4.719 4.690 4.761 0.091 6 0 "[ . 1 . 2]" 1
1022 1 52 VAL HA 1 52 VAL MG2 2.950 . 2.950 2.266 2.230 2.344 . 0 0 "[ . 1 . 2]" 1
1023 2 52 VAL HA 2 52 VAL MG1 3.350 . 3.350 2.590 2.451 2.650 . 0 0 "[ . 1 . 2]" 1
1024 1 42 LEU MD1 1 43 GLN HG3 4.850 . 4.850 4.598 4.413 4.710 . 0 0 "[ . 1 . 2]" 1
1025 2 42 LEU MD1 2 43 GLN HG3 4.850 . 4.850 4.583 4.416 4.728 . 0 0 "[ . 1 . 2]" 1
1026 1 52 VAL MG2 1 55 GLN QG 5.470 . 5.470 4.885 4.631 5.114 . 0 0 "[ . 1 . 2]" 1
1027 1 6 SER HB2 1 9 GLN QG 5.280 . 5.280 4.583 4.118 5.304 0.024 14 0 "[ . 1 . 2]" 1
1028 2 6 SER HB2 2 9 GLN QG 5.280 . 5.280 4.577 4.087 5.301 0.021 14 0 "[ . 1 . 2]" 1
1029 1 5 ALA MB 1 6 SER HB2 5.230 . 5.230 4.707 4.161 5.398 0.168 14 0 "[ . 1 . 2]" 1
1030 2 5 ALA MB 2 6 SER HB2 5.230 . 5.230 4.758 4.123 5.423 0.193 14 0 "[ . 1 . 2]" 1
1031 1 16 LEU H 1 16 LEU MD1 5.500 . 5.500 4.177 4.103 4.228 . 0 0 "[ . 1 . 2]" 1
1032 2 16 LEU H 2 16 LEU MD1 5.500 . 5.500 4.175 4.097 4.229 . 0 0 "[ . 1 . 2]" 1
1033 1 16 LEU H 1 16 LEU MD2 5.500 . 5.500 4.309 4.219 4.400 . 0 0 "[ . 1 . 2]" 1
1034 2 16 LEU H 2 16 LEU MD2 5.500 . 5.500 4.308 4.189 4.420 . 0 0 "[ . 1 . 2]" 1
1035 1 49 THR HB 2 16 LEU MD2 5.180 . 5.180 4.695 4.382 5.244 0.064 9 0 "[ . 1 . 2]" 1
1036 1 16 LEU MD2 2 49 THR HB 5.180 . 5.180 4.685 4.340 5.194 0.014 9 0 "[ . 1 . 2]" 1
1037 1 46 LEU MD2 1 50 HIS HB3 6.270 . 6.270 5.049 4.332 5.424 . 0 0 "[ . 1 . 2]" 1
1038 2 46 LEU MD2 2 50 HIS HB3 6.270 . 6.270 5.083 4.286 5.476 . 0 0 "[ . 1 . 2]" 1
1039 1 27 GLU HA 1 46 LEU MD2 4.230 . 4.230 3.670 3.202 4.171 . 0 0 "[ . 1 . 2]" 1
1040 2 27 GLU HA 2 46 LEU MD2 4.230 . 4.230 3.695 3.191 4.147 . 0 0 "[ . 1 . 2]" 1
1041 1 50 HIS HA 1 50 HIS HD2 4.900 . 4.900 3.140 3.013 3.314 . 0 0 "[ . 1 . 2]" 1
1042 2 50 HIS HA 2 50 HIS HD2 4.900 . 4.900 3.155 3.027 3.330 . 0 0 "[ . 1 . 2]" 1
1043 1 50 HIS HA 1 53 GLU HG2 4.830 . 4.830 2.028 1.994 2.059 . 0 0 "[ . 1 . 2]" 1
1044 1 50 HIS HA 1 53 GLU QB 3.910 . 3.910 3.978 3.957 3.994 0.084 9 0 "[ . 1 . 2]" 1
1045 2 50 HIS HA 2 53 GLU QB 3.910 . 3.910 3.978 3.961 3.994 0.084 5 0 "[ . 1 . 2]" 1
1046 1 2 SER QB 1 4 MET ME 4.380 . 4.380 3.512 2.335 4.408 0.028 13 0 "[ . 1 . 2]" 1
1047 2 2 SER QB 2 4 MET ME 4.380 . 4.380 3.544 2.453 4.412 0.032 13 0 "[ . 1 . 2]" 1
1048 1 50 HIS HD2 1 51 GLU HA 5.500 . 5.500 5.301 4.704 5.526 0.026 19 0 "[ . 1 . 2]" 1
1049 2 50 HIS HD2 2 51 GLU HA 5.500 . 5.500 5.308 4.593 5.552 0.052 19 0 "[ . 1 . 2]" 1
1050 1 61 LYS QE 2 51 GLU HA 5.100 . 5.100 5.149 5.040 5.198 0.098 19 0 "[ . 1 . 2]" 1
1051 1 51 GLU HA 2 61 LYS QE 5.100 . 5.100 5.155 5.114 5.203 0.103 19 0 "[ . 1 . 2]" 1
1052 1 72 LYS HA 1 72 LYS QB 2.710 . 2.710 2.408 2.374 2.447 . 0 0 "[ . 1 . 2]" 1
1053 2 72 LYS HA 2 72 LYS QB 2.710 . 2.710 2.407 2.368 2.443 . 0 0 "[ . 1 . 2]" 1
1054 1 72 LYS QB 1 72 LYS HD3 3.020 . 3.020 2.282 2.197 2.364 . 0 0 "[ . 1 . 2]" 1
1055 2 72 LYS QB 2 72 LYS HD3 3.020 . 3.020 2.283 2.193 2.390 . 0 0 "[ . 1 . 2]" 1
1056 1 5 ALA HA 1 8 ARG HG2 5.500 . 5.500 4.515 3.128 5.548 0.048 17 0 "[ . 1 . 2]" 1
1057 2 5 ALA HA 2 8 ARG HG2 5.500 . 5.500 4.492 3.032 5.532 0.032 5 0 "[ . 1 . 2]" 1
1058 1 5 ALA HA 1 8 ARG HG3 5.500 . 5.500 4.433 3.553 5.353 . 0 0 "[ . 1 . 2]" 1
1059 2 5 ALA HA 2 8 ARG HG3 5.500 . 5.500 4.413 3.474 5.295 . 0 0 "[ . 1 . 2]" 1
1060 1 5 ALA HA 1 8 ARG HB2 5.000 . 5.000 2.974 2.068 4.326 . 0 0 "[ . 1 . 2]" 1
1061 2 5 ALA HA 2 8 ARG HB2 5.000 . 5.000 2.941 2.065 4.196 . 0 0 "[ . 1 . 2]" 1
1062 1 6 SER HA 1 9 GLN QG 4.480 . 4.480 2.521 1.987 3.356 . 0 0 "[ . 1 . 2]" 1
1063 2 6 SER HA 2 9 GLN QG 4.480 . 4.480 2.493 1.963 3.371 . 0 0 "[ . 1 . 2]" 1
1064 1 7 SER HA 1 10 LYS QB 3.550 . 3.550 3.252 2.815 3.580 0.030 1 0 "[ . 1 . 2]" 1
1065 2 7 SER HA 2 10 LYS QB 3.550 . 3.550 3.253 2.889 3.616 0.066 4 0 "[ . 1 . 2]" 1
1066 1 5 ALA MB 1 6 SER HA 4.540 . 4.540 4.075 3.887 4.252 . 0 0 "[ . 1 . 2]" 1
1067 2 5 ALA MB 2 6 SER HA 4.540 . 4.540 4.061 3.870 4.251 . 0 0 "[ . 1 . 2]" 1
1068 1 6 SER HB3 1 9 GLN QG 5.280 . 5.280 4.861 4.192 5.287 0.007 2 0 "[ . 1 . 2]" 1
1069 2 6 SER HB3 2 9 GLN QG 5.280 . 5.280 4.827 4.160 5.291 0.011 2 0 "[ . 1 . 2]" 1
1070 1 5 ALA MB 1 6 SER HB3 5.230 . 5.230 5.174 4.165 5.327 0.097 4 0 "[ . 1 . 2]" 1
1071 2 5 ALA MB 2 6 SER HB3 5.230 . 5.230 5.128 4.160 5.316 0.086 12 0 "[ . 1 . 2]" 1
1072 1 34 SER QB 1 37 TYR HE1 5.400 . 5.400 2.557 2.279 2.957 . 0 0 "[ . 1 . 2]" 1
1073 2 34 SER QB 2 37 TYR HE1 5.400 . 5.400 2.541 2.227 2.870 . 0 0 "[ . 1 . 2]" 1
1074 1 33 HIS HD2 1 34 SER QB 5.150 . 5.150 4.755 3.616 5.157 0.007 10 0 "[ . 1 . 2]" 1
1075 2 33 HIS HD2 2 34 SER QB 5.150 . 5.150 4.751 3.704 5.152 0.002 10 0 "[ . 1 . 2]" 1
1076 1 8 ARG HA 1 9 GLN QG 5.500 . 5.500 5.321 5.124 5.455 . 0 0 "[ . 1 . 2]" 1
1077 2 8 ARG HA 2 9 GLN QG 5.500 . 5.500 5.314 5.114 5.493 . 0 0 "[ . 1 . 2]" 1
1078 1 8 ARG HA 1 8 ARG HG3 4.250 . 4.250 3.576 2.440 3.830 . 0 0 "[ . 1 . 2]" 1
1079 2 8 ARG HA 2 8 ARG HG3 4.250 . 4.250 3.566 2.443 3.833 . 0 0 "[ . 1 . 2]" 1
1080 1 81 LYS HA 1 81 LYS QG 3.370 . 3.370 2.731 2.377 3.437 0.067 4 0 "[ . 1 . 2]" 1
1081 2 81 LYS HA 2 81 LYS QG 3.370 . 3.370 2.725 2.374 3.431 0.061 4 0 "[ . 1 . 2]" 1
1082 1 8 ARG HA 1 8 ARG HG2 4.250 . 4.250 2.938 2.342 3.667 . 0 0 "[ . 1 . 2]" 1
1083 2 8 ARG HA 2 8 ARG HG2 4.250 . 4.250 2.932 2.344 3.674 . 0 0 "[ . 1 . 2]" 1
1084 1 79 LYS HA 1 79 LYS QE 5.500 . 5.500 4.490 3.700 4.975 . 0 0 "[ . 1 . 2]" 1
1085 2 79 LYS HA 2 79 LYS QE 5.500 . 5.500 4.517 3.654 4.969 . 0 0 "[ . 1 . 2]" 1
1086 1 10 LYS HA 1 10 LYS HG3 3.960 . 3.960 2.777 2.357 3.151 . 0 0 "[ . 1 . 2]" 1
1087 2 10 LYS HA 2 10 LYS HG3 3.960 . 3.960 2.783 2.348 3.133 . 0 0 "[ . 1 . 2]" 1
1088 1 5 ALA MB 1 9 GLN QB 4.840 . 4.840 3.650 1.995 4.880 0.040 8 0 "[ . 1 . 2]" 1
1089 2 5 ALA MB 2 9 GLN QB 4.840 . 4.840 3.671 1.951 4.875 0.035 8 0 "[ . 1 . 2]" 1
1090 1 10 LYS HA 1 11 TYR QD 5.500 . 5.500 5.289 5.060 5.424 . 0 0 "[ . 1 . 2]" 1
1091 2 10 LYS HA 2 11 TYR QD 5.500 . 5.500 5.296 5.124 5.395 . 0 0 "[ . 1 . 2]" 1
1092 1 9 GLN HA 1 9 GLN QG 3.350 . 3.350 3.031 2.358 3.446 0.096 15 0 "[ . 1 . 2]" 1
1093 2 9 GLN HA 2 9 GLN QG 3.350 . 3.350 3.035 2.347 3.450 0.100 20 0 "[ . 1 . 2]" 1
1094 1 10 LYS QB 1 10 LYS QE 4.050 . 4.050 2.487 1.856 3.689 . 0 0 "[ . 1 . 2]" 1
1095 2 10 LYS QB 2 10 LYS QE 4.050 . 4.050 2.497 1.824 3.685 . 0 0 "[ . 1 . 2]" 1
1096 1 10 LYS QB 1 11 TYR QD 4.370 . 4.370 3.051 2.714 3.486 . 0 0 "[ . 1 . 2]" 1
1097 2 10 LYS QB 2 11 TYR QD 4.370 . 4.370 3.055 2.777 3.450 . 0 0 "[ . 1 . 2]" 1
1098 1 66 LYS HA 1 66 LYS QE 3.630 . 3.630 2.205 1.785 3.648 0.018 2 0 "[ . 1 . 2]" 1
1099 2 66 LYS HA 2 66 LYS QE 3.630 . 3.630 2.243 1.786 3.651 0.021 2 0 "[ . 1 . 2]" 1
1100 1 10 LYS HA 1 10 LYS QE 4.030 . 4.030 3.474 1.914 4.211 0.181 5 0 "[ . 1 . 2]" 1
1101 2 10 LYS HA 2 10 LYS QE 4.030 . 4.030 3.469 1.910 4.209 0.179 12 0 "[ . 1 . 2]" 1
1102 1 38 ALA HA 2 79 LYS QE 4.020 . 4.020 2.840 2.210 4.036 0.016 16 0 "[ . 1 . 2]" 1
1103 1 79 LYS QE 2 38 ALA HA 4.020 . 4.020 2.797 2.205 3.437 . 0 0 "[ . 1 . 2]" 1
1104 1 57 TYR HE2 2 61 LYS QE 4.390 . 4.390 4.496 4.438 4.534 0.144 6 0 "[ . 1 . 2]" 1
1105 1 61 LYS QE 2 57 TYR HE2 4.390 . 4.390 4.500 4.454 4.533 0.143 7 0 "[ . 1 . 2]" 1
1106 1 61 LYS QE 1 61 LYS HG3 3.720 . 3.720 2.360 2.328 2.398 . 0 0 "[ . 1 . 2]" 1
1107 2 61 LYS QE 2 61 LYS HG3 3.720 . 3.720 2.358 2.311 2.392 . 0 0 "[ . 1 . 2]" 1
1108 1 66 LYS QE 1 70 VAL MG2 4.210 . 4.210 4.006 3.716 4.245 0.035 9 0 "[ . 1 . 2]" 1
1109 2 66 LYS QE 2 70 VAL MG2 4.210 . 4.210 4.041 3.767 4.361 0.151 20 0 "[ . 1 . 2]" 1
1110 1 54 VAL MG2 2 61 LYS QE 3.940 . 3.940 2.030 1.930 2.208 . 0 0 "[ . 1 . 2]" 1
1111 1 47 GLN HA 1 50 HIS HB3 4.480 . 4.480 2.670 2.335 2.939 . 0 0 "[ . 1 . 2]" 1
1112 2 47 GLN HA 2 50 HIS HB3 4.480 . 4.480 2.704 2.366 3.001 . 0 0 "[ . 1 . 2]" 1
1113 1 68 LEU HB3 2 43 GLN HA 3.920 . 3.920 3.739 3.546 3.919 . 0 0 "[ . 1 . 2]" 1
1114 1 43 GLN HA 2 68 LEU HB3 3.920 . 3.920 3.731 3.572 3.911 . 0 0 "[ . 1 . 2]" 1
1115 1 12 ALA MB 1 13 GLU HA 3.840 . 3.840 3.816 3.749 3.852 0.012 5 0 "[ . 1 . 2]" 1
1116 2 12 ALA MB 2 13 GLU HA 3.840 . 3.840 3.813 3.758 3.851 0.011 5 0 "[ . 1 . 2]" 1
1117 1 72 LYS HD3 1 76 GLU QB 4.740 . 4.740 4.449 3.916 4.784 0.044 6 0 "[ . 1 . 2]" 1
1118 2 72 LYS HD3 2 76 GLU QB 4.740 . 4.740 4.450 3.880 4.777 0.037 16 0 "[ . 1 . 2]" 1
1119 1 12 ALA MB 1 13 GLU QB 4.190 . 4.190 3.846 3.592 4.222 0.032 1 0 "[ . 1 . 2]" 1
1120 2 12 ALA MB 2 13 GLU QB 4.190 . 4.190 3.847 3.613 4.225 0.035 1 0 "[ . 1 . 2]" 1
1121 1 75 ALA MB 1 76 GLU QB 4.610 . 4.610 4.171 4.041 4.312 . 0 0 "[ . 1 . 2]" 1
1122 2 75 ALA MB 2 76 GLU QB 4.610 . 4.610 4.158 4.020 4.331 . 0 0 "[ . 1 . 2]" 1
1123 2 15 GLU HB3 2 19 VAL MG2 4.360 . 4.360 3.908 3.708 4.151 . 0 0 "[ . 1 . 2]" 1
1124 2 15 GLU HA 2 15 GLU HB3 2.920 . 2.920 2.512 2.476 2.576 . 0 0 "[ . 1 . 2]" 1
1125 1 73 GLU HA 1 73 GLU QB 2.710 . 2.710 2.377 2.355 2.407 . 0 0 "[ . 1 . 2]" 1
1126 2 73 GLU HA 2 73 GLU QB 2.710 . 2.710 2.377 2.346 2.412 . 0 0 "[ . 1 . 2]" 1
1127 1 11 TYR HA 1 14 GLU HB3 4.650 . 4.650 4.100 3.774 4.340 . 0 0 "[ . 1 . 2]" 1
1128 2 11 TYR HA 2 14 GLU HB3 4.650 . 4.650 4.109 3.908 4.298 . 0 0 "[ . 1 . 2]" 1
1129 1 21 GLU HA 1 21 GLU QB 2.740 . 2.740 2.377 2.351 2.411 . 0 0 "[ . 1 . 2]" 1
1130 2 21 GLU HA 2 21 GLU QB 2.740 . 2.740 2.378 2.352 2.415 . 0 0 "[ . 1 . 2]" 1
1131 1 76 GLU HA 1 76 GLU HG2 3.530 . 3.530 2.560 2.173 3.127 . 0 0 "[ . 1 . 2]" 1
1132 2 76 GLU HA 2 76 GLU HG2 3.530 . 3.530 2.578 2.230 3.212 . 0 0 "[ . 1 . 2]" 1
1133 1 53 GLU HA 1 53 GLU QB 2.730 . 2.730 2.172 2.166 2.179 . 0 0 "[ . 1 . 2]" 1
1134 2 53 GLU HA 2 53 GLU QB 2.730 . 2.730 2.173 2.167 2.179 . 0 0 "[ . 1 . 2]" 1
1135 1 15 GLU HA 1 15 GLU QG 3.090 . 3.090 2.698 2.268 3.050 . 0 0 "[ . 1 . 2]" 1
1136 2 15 GLU HA 2 15 GLU QG 3.090 . 3.090 2.714 2.256 3.010 . 0 0 "[ . 1 . 2]" 1
1137 1 76 GLU HA 1 76 GLU QB 2.620 . 2.620 2.375 2.337 2.415 . 0 0 "[ . 1 . 2]" 1
1138 2 76 GLU HA 2 76 GLU QB 2.620 . 2.620 2.374 2.330 2.409 . 0 0 "[ . 1 . 2]" 1
1139 1 77 LYS HA 1 77 LYS QB 2.580 . 2.580 2.425 2.341 2.536 . 0 0 "[ . 1 . 2]" 1
1140 2 77 LYS HA 2 77 LYS QB 2.580 . 2.580 2.427 2.338 2.539 . 0 0 "[ . 1 . 2]" 1
1141 1 16 LEU HA 1 20 ARG QD 4.170 . 4.170 4.198 4.098 4.261 0.091 14 0 "[ . 1 . 2]" 1
1142 2 16 LEU HA 2 20 ARG QD 4.170 . 4.170 4.165 4.000 4.254 0.084 14 0 "[ . 1 . 2]" 1
1143 1 49 THR HB 2 16 LEU MD1 5.180 . 5.180 3.965 3.638 4.374 . 0 0 "[ . 1 . 2]" 1
1144 1 16 LEU MD1 2 49 THR HB 5.180 . 5.180 3.953 3.618 4.434 . 0 0 "[ . 1 . 2]" 1
1145 1 45 TRP HH2 2 16 LEU MD1 5.500 . 5.500 4.497 3.761 4.968 . 0 0 "[ . 1 . 2]" 1
1146 1 16 LEU MD1 2 45 TRP HH2 5.500 . 5.500 4.504 4.106 4.971 . 0 0 "[ . 1 . 2]" 1
1147 1 45 TRP HH2 2 16 LEU MD2 5.500 . 5.500 5.244 4.756 5.537 0.037 13 0 "[ . 1 . 2]" 1
1148 1 16 LEU MD2 2 45 TRP HH2 5.500 . 5.500 5.255 4.754 5.532 0.032 15 0 "[ . 1 . 2]" 1
1149 1 17 GLU HB2 1 20 ARG QD 5.500 . 5.500 5.255 3.901 5.634 0.134 11 0 "[ . 1 . 2]" 1
1150 2 17 GLU HB2 2 20 ARG QD 5.500 . 5.500 5.282 3.951 5.638 0.138 1 0 "[ . 1 . 2]" 1
1151 1 17 GLU HA 1 17 GLU QG 3.160 . 3.160 2.726 2.242 3.269 0.109 20 0 "[ . 1 . 2]" 1
1152 2 17 GLU HA 2 17 GLU QG 3.160 . 3.160 2.702 2.255 3.273 0.113 20 0 "[ . 1 . 2]" 1
1153 1 18 GLN HA 1 18 GLN HG2 4.020 . 4.020 3.451 2.498 3.802 . 0 0 "[ . 1 . 2]" 1
1154 2 18 GLN HA 2 18 GLN HG2 4.020 . 4.020 3.453 2.424 3.820 . 0 0 "[ . 1 . 2]" 1
1155 1 18 GLN HG2 1 22 ALA MB 4.960 . 4.960 3.933 3.056 4.775 . 0 0 "[ . 1 . 2]" 1
1156 2 18 GLN HG2 2 22 ALA MB 4.960 . 4.960 3.930 3.061 4.781 . 0 0 "[ . 1 . 2]" 1
1157 1 59 ILE MG 1 62 GLN HG2 4.710 . 4.710 4.758 4.727 4.780 0.070 2 0 "[ . 1 . 2]" 1
1158 2 59 ILE MG 2 62 GLN HG2 4.710 . 4.710 4.757 4.698 4.780 0.070 8 0 "[ . 1 . 2]" 1
1159 1 72 LYS QB 2 43 GLN HG3 4.590 . 4.590 4.391 4.075 4.598 0.008 14 0 "[ . 1 . 2]" 1
1160 1 43 GLN HG3 2 72 LYS QB 4.590 . 4.590 4.396 4.018 4.598 0.008 17 0 "[ . 1 . 2]" 1
1161 1 72 LYS HG3 2 43 GLN HG3 5.500 . 5.500 5.189 4.806 5.496 . 0 0 "[ . 1 . 2]" 1
1162 1 43 GLN HG3 2 72 LYS HG3 5.500 . 5.500 5.182 4.616 5.505 0.005 4 0 "[ . 1 . 2]" 1
1163 1 67 GLN HA 1 67 GLN HG2 3.800 . 3.800 3.293 2.711 3.689 . 0 0 "[ . 1 . 2]" 1
1164 2 67 GLN HA 2 67 GLN HG3 3.800 . 3.800 2.503 2.294 2.740 . 0 0 "[ . 1 . 2]" 1
1165 1 29 GLU HA 1 32 SER QB 4.990 . 4.990 2.579 2.284 2.867 . 0 0 "[ . 1 . 2]" 1
1166 2 29 GLU HA 2 32 SER QB 4.990 . 4.990 2.595 2.260 2.873 . 0 0 "[ . 1 . 2]" 1
1167 1 52 VAL HA 1 55 GLN QB 3.730 . 3.730 2.622 2.360 2.779 . 0 0 "[ . 1 . 2]" 1
1168 2 52 VAL HA 2 55 GLN QB 3.730 . 3.730 2.631 2.352 2.862 . 0 0 "[ . 1 . 2]" 1
1169 1 44 LYS HA 1 47 GLN HB3 2.770 . 2.770 2.398 2.044 2.765 . 0 0 "[ . 1 . 2]" 1
1170 2 44 LYS HA 2 47 GLN HB3 2.770 . 2.770 2.383 2.085 2.774 0.004 17 0 "[ . 1 . 2]" 1
1171 1 26 ALA MB 2 19 VAL MG1 3.660 . 3.660 3.107 2.828 3.250 . 0 0 "[ . 1 . 2]" 1
1172 1 19 VAL MG1 2 26 ALA MB 3.660 . 3.660 3.103 2.831 3.249 . 0 0 "[ . 1 . 2]" 1
1173 1 15 GLU HA 1 19 VAL MG1 3.840 . 3.840 3.309 3.090 3.616 . 0 0 "[ . 1 . 2]" 1
1174 2 15 GLU HA 2 19 VAL MG1 3.840 . 3.840 3.292 3.076 3.570 . 0 0 "[ . 1 . 2]" 1
1175 1 19 VAL HA 1 19 VAL MG1 3.340 . 3.340 2.331 2.288 2.363 . 0 0 "[ . 1 . 2]" 1
1176 2 19 VAL HA 2 19 VAL MG1 3.340 . 3.340 2.331 2.283 2.356 . 0 0 "[ . 1 . 2]" 1
1177 1 54 VAL HA 1 54 VAL MG1 3.610 . 3.610 2.434 2.407 2.468 . 0 0 "[ . 1 . 2]" 1
1178 2 54 VAL HA 2 54 VAL MG2 3.610 . 3.610 2.365 2.349 2.385 . 0 0 "[ . 1 . 2]" 1
1179 1 51 GLU HA 1 54 VAL MG1 4.840 . 4.840 4.554 4.403 4.700 . 0 0 "[ . 1 . 2]" 1
1180 2 51 GLU HA 2 54 VAL MG2 4.840 . 4.840 3.657 3.479 3.799 . 0 0 "[ . 1 . 2]" 1
1181 1 54 VAL MG1 1 57 TYR HB3 4.170 . 4.170 4.034 3.933 4.123 . 0 0 "[ . 1 . 2]" 1
1182 2 54 VAL MG2 2 57 TYR HB3 4.380 . 4.380 4.143 4.019 4.237 . 0 0 "[ . 1 . 2]" 1
1183 1 57 TYR HD1 2 54 VAL MG2 4.350 . 4.350 2.412 2.247 2.624 . 0 0 "[ . 1 . 2]" 1
1184 1 54 VAL MG1 2 57 TYR HD1 4.300 . 4.300 3.098 2.933 3.269 . 0 0 "[ . 1 . 2]" 1
1185 1 17 GLU HA 1 20 ARG HB3 5.030 . 5.030 4.400 4.232 4.613 . 0 0 "[ . 1 . 2]" 1
1186 2 17 GLU HA 2 20 ARG HB3 5.030 . 5.030 4.430 4.226 4.662 . 0 0 "[ . 1 . 2]" 1
1187 1 20 ARG HA 1 20 ARG QD 4.220 . 4.220 4.189 4.126 4.267 0.047 8 0 "[ . 1 . 2]" 1
1188 2 20 ARG HA 2 20 ARG QD 4.220 . 4.220 4.169 4.098 4.249 0.029 14 0 "[ . 1 . 2]" 1
1189 1 20 ARG HB3 1 20 ARG QD 3.430 . 3.430 2.230 2.118 2.306 . 0 0 "[ . 1 . 2]" 1
1190 2 20 ARG HB3 2 20 ARG QD 3.430 . 3.430 2.211 2.093 2.272 . 0 0 "[ . 1 . 2]" 1
1191 1 52 VAL MG1 2 20 ARG QD 4.400 . 4.400 1.836 1.758 2.109 . 0 0 "[ . 1 . 2]" 1
1192 1 20 ARG QD 2 52 VAL MG2 4.400 . 4.400 3.141 2.827 3.413 . 0 0 "[ . 1 . 2]" 1
1193 1 21 GLU HA 1 24 ARG HD2 4.130 . 4.130 3.987 3.601 4.220 0.090 14 0 "[ . 1 . 2]" 1
1194 2 21 GLU HA 2 24 ARG HD2 4.130 . 4.130 3.940 3.539 4.222 0.092 14 0 "[ . 1 . 2]" 1
1195 1 72 LYS HA 1 72 LYS HG3 4.010 . 4.010 3.772 3.702 3.822 . 0 0 "[ . 1 . 2]" 1
1196 2 72 LYS HA 2 72 LYS HG3 4.010 . 4.010 3.768 3.710 3.832 . 0 0 "[ . 1 . 2]" 1
1197 1 55 GLN HA 1 58 ASN HB3 4.450 . 4.450 3.376 3.095 3.646 . 0 0 "[ . 1 . 2]" 1
1198 2 55 GLN HA 2 58 ASN HB3 4.450 . 4.450 3.373 3.115 3.634 . 0 0 "[ . 1 . 2]" 1
1199 1 22 ALA HA 1 25 LYS QD 5.500 . 5.500 4.652 3.453 5.257 . 0 0 "[ . 1 . 2]" 1
1200 2 22 ALA HA 2 25 LYS QD 5.500 . 5.500 4.616 3.482 5.232 . 0 0 "[ . 1 . 2]" 1
1201 1 19 VAL HB 1 20 ARG HB3 5.110 . 5.110 4.998 4.902 5.123 0.013 8 0 "[ . 1 . 2]" 1
1202 2 19 VAL HB 2 20 ARG HB3 5.110 . 5.110 4.973 4.882 5.119 0.009 8 0 "[ . 1 . 2]" 1
1203 1 19 VAL HB 2 23 LEU HA 3.240 . 3.240 3.183 2.968 3.267 0.027 1 0 "[ . 1 . 2]" 1
1204 1 23 LEU HA 2 19 VAL HB 3.240 . 3.240 3.161 2.986 3.253 0.013 1 0 "[ . 1 . 2]" 1
1205 1 23 LEU HA 1 23 LEU MD2 3.630 . 3.630 2.506 2.347 2.660 . 0 0 "[ . 1 . 2]" 1
1206 2 23 LEU HA 2 23 LEU MD1 3.630 . 3.630 2.297 2.155 2.471 . 0 0 "[ . 1 . 2]" 1
1207 1 19 VAL MG1 2 23 LEU HA 3.140 . 3.140 2.151 2.089 2.228 . 0 0 "[ . 1 . 2]" 1
1208 1 23 LEU HA 2 19 VAL MG1 3.140 . 3.140 2.138 2.076 2.199 . 0 0 "[ . 1 . 2]" 1
1209 1 45 TRP HB2 1 46 LEU HA 5.500 . 5.500 5.231 5.195 5.284 . 0 0 "[ . 1 . 2]" 1
1210 2 45 TRP HB2 2 46 LEU HA 5.500 . 5.500 5.232 5.195 5.280 . 0 0 "[ . 1 . 2]" 1
1211 1 72 LYS HA 1 72 LYS QE 3.540 . 3.540 3.059 2.625 3.331 . 0 0 "[ . 1 . 2]" 1
1212 2 72 LYS HA 2 72 LYS QE 3.540 . 3.540 3.068 2.598 3.448 . 0 0 "[ . 1 . 2]" 1
1213 1 43 GLN HG3 2 72 LYS HA 3.990 . 3.990 3.651 3.373 3.811 . 0 0 "[ . 1 . 2]" 1
1214 1 72 LYS HA 2 43 GLN HG3 3.990 . 3.990 3.645 3.536 3.825 . 0 0 "[ . 1 . 2]" 1
1215 1 45 TRP HD1 1 46 LEU HA 5.140 . 5.140 4.282 4.109 4.438 . 0 0 "[ . 1 . 2]" 1
1216 2 45 TRP HD1 2 46 LEU HA 5.140 . 5.140 4.268 4.105 4.422 . 0 0 "[ . 1 . 2]" 1
1217 1 45 TRP HZ3 1 46 LEU HA 5.500 . 5.500 5.501 5.234 5.586 0.086 7 0 "[ . 1 . 2]" 1
1218 2 45 TRP HZ3 2 46 LEU HA 5.500 . 5.500 5.510 5.246 5.588 0.088 14 0 "[ . 1 . 2]" 1
1219 1 24 ARG HA 1 27 GLU QB 3.550 . 3.550 2.578 2.335 2.818 . 0 0 "[ . 1 . 2]" 1
1220 2 24 ARG HA 2 27 GLU QB 3.550 . 3.550 2.613 2.357 2.879 . 0 0 "[ . 1 . 2]" 1
1221 1 24 ARG HB2 1 24 ARG HD2 3.900 . 3.900 3.508 3.450 3.561 . 0 0 "[ . 1 . 2]" 1
1222 2 24 ARG HB2 2 24 ARG HD2 3.900 . 3.900 3.509 3.456 3.555 . 0 0 "[ . 1 . 2]" 1
1223 1 21 GLU HA 1 24 ARG HB2 3.490 . 3.490 2.805 2.350 3.177 . 0 0 "[ . 1 . 2]" 1
1224 2 21 GLU HA 2 24 ARG HB2 3.490 . 3.490 2.780 2.360 3.184 . 0 0 "[ . 1 . 2]" 1
1225 1 24 ARG HB2 1 25 LYS HA 4.140 . 4.140 4.194 4.157 4.232 0.092 20 0 "[ . 1 . 2]" 1
1226 2 24 ARG HB2 2 25 LYS HA 4.140 . 4.140 4.193 4.176 4.224 0.084 20 0 "[ . 1 . 2]" 1
1227 1 60 LYS QD 2 24 ARG HB2 5.280 . 5.280 4.435 4.271 4.669 . 0 0 "[ . 1 . 2]" 1
1228 1 24 ARG HB2 2 60 LYS QD 5.280 . 5.280 4.401 4.238 4.642 . 0 0 "[ . 1 . 2]" 1
1229 1 23 LEU MD1 1 24 ARG HA 4.280 . 4.280 3.433 3.341 3.541 . 0 0 "[ . 1 . 2]" 1
1230 1 17 GLU HA 1 20 ARG HG3 3.660 . 3.660 3.346 3.083 3.511 . 0 0 "[ . 1 . 2]" 1
1231 2 17 GLU HA 2 20 ARG HG3 3.660 . 3.660 3.358 3.070 3.573 . 0 0 "[ . 1 . 2]" 1
1232 1 59 ILE MG 2 24 ARG HG2 4.670 . 4.670 4.769 4.733 4.815 0.145 20 0 "[ . 1 . 2]" 1
1233 1 24 ARG HG2 2 59 ILE MG 4.670 . 4.670 4.764 4.718 4.810 0.140 20 0 "[ . 1 . 2]" 1
1234 1 8 ARG HB3 1 8 ARG QD 3.590 . 3.590 2.603 2.114 3.347 . 0 0 "[ . 1 . 2]" 1
1235 2 8 ARG HB3 2 8 ARG QD 3.590 . 3.590 2.603 2.109 3.351 . 0 0 "[ . 1 . 2]" 1
1236 1 13 GLU HA 1 13 GLU QG 3.400 . 3.400 2.450 2.371 2.514 . 0 0 "[ . 1 . 2]" 1
1237 2 13 GLU HA 2 13 GLU QG 3.400 . 3.400 2.447 2.313 2.527 . 0 0 "[ . 1 . 2]" 1
1238 1 25 LYS HA 1 25 LYS HG2 3.870 . 3.870 3.326 2.605 3.952 0.082 6 0 "[ . 1 . 2]" 1
1239 2 25 LYS HA 2 25 LYS HG2 3.870 . 3.870 3.291 2.573 3.949 0.079 6 0 "[ . 1 . 2]" 1
1240 1 25 LYS HA 1 25 LYS HG3 3.870 . 3.870 3.460 2.319 3.874 0.004 19 0 "[ . 1 . 2]" 1
1241 2 25 LYS HA 2 25 LYS HG3 3.870 . 3.870 3.495 2.322 3.844 . 0 0 "[ . 1 . 2]" 1
1242 1 60 LYS QD 2 24 ARG HG2 4.330 . 4.330 2.419 2.145 2.690 . 0 0 "[ . 1 . 2]" 1
1243 1 24 ARG HG2 2 60 LYS QD 4.330 . 4.330 2.316 2.075 2.612 . 0 0 "[ . 1 . 2]" 1
1244 1 66 LYS QB 1 66 LYS QE 3.810 . 3.810 3.058 2.224 3.846 0.036 1 0 "[ . 1 . 2]" 1
1245 2 66 LYS QB 2 66 LYS QE 3.810 . 3.810 3.125 2.430 3.840 0.030 1 0 "[ . 1 . 2]" 1
1246 1 72 LYS HD3 1 73 GLU HA 3.090 . 3.090 2.974 2.776 3.130 0.040 7 0 "[ . 1 . 2]" 1
1247 2 72 LYS HD3 2 73 GLU HA 3.090 . 3.090 2.964 2.775 3.138 0.048 6 0 "[ . 1 . 2]" 1
1248 1 72 LYS HD3 1 76 GLU HG3 4.460 . 4.460 4.390 3.635 4.539 0.079 8 0 "[ . 1 . 2]" 1
1249 2 72 LYS HD3 2 76 GLU HG3 4.460 . 4.460 4.415 3.823 4.525 0.065 18 0 "[ . 1 . 2]" 1
1250 1 68 LEU HA 1 71 ALA MB 2.780 . 2.780 2.161 2.031 2.278 . 0 0 "[ . 1 . 2]" 1
1251 2 68 LEU HA 2 71 ALA MB 2.780 . 2.780 2.158 2.040 2.273 . 0 0 "[ . 1 . 2]" 1
1252 1 44 LYS QB 1 45 TRP HA 4.110 . 4.110 3.873 3.520 4.029 . 0 0 "[ . 1 . 2]" 1
1253 2 44 LYS QB 2 45 TRP HA 4.110 . 4.110 3.865 3.547 4.043 . 0 0 "[ . 1 . 2]" 1
1254 1 40 GLU QG 1 44 LYS QB 3.310 . 3.310 2.849 2.182 3.381 0.071 6 0 "[ . 1 . 2]" 1
1255 2 40 GLU QG 2 44 LYS QB 3.310 . 3.310 2.861 2.222 3.385 0.075 13 0 "[ . 1 . 2]" 1
1256 1 59 ILE MG 1 60 LYS QB 3.920 . 3.920 3.829 3.771 3.923 0.003 7 0 "[ . 1 . 2]" 1
1257 2 59 ILE MG 2 60 LYS QB 3.920 . 3.920 3.833 3.762 3.926 0.006 9 0 "[ . 1 . 2]" 1
1258 1 72 LYS QE 1 72 LYS HG3 3.370 . 3.370 3.122 2.809 3.373 0.003 4 0 "[ . 1 . 2]" 1
1259 2 72 LYS QE 2 72 LYS HG3 3.370 . 3.370 3.113 2.792 3.362 . 0 0 "[ . 1 . 2]" 1
1260 1 30 LEU HG 1 46 LEU HA 5.500 . 5.500 4.791 4.410 5.467 . 0 0 "[ . 1 . 2]" 1
1261 2 30 LEU HG 2 46 LEU HA 5.500 . 5.500 4.769 4.396 5.452 . 0 0 "[ . 1 . 2]" 1
1262 1 68 LEU HA 2 30 LEU HG 5.500 . 5.500 5.187 4.782 5.429 . 0 0 "[ . 1 . 2]" 1
1263 1 30 LEU HG 2 68 LEU HA 5.500 . 5.500 5.183 4.773 5.420 . 0 0 "[ . 1 . 2]" 1
1264 1 27 GLU HA 1 30 LEU HG 5.110 . 5.110 4.264 4.069 4.407 . 0 0 "[ . 1 . 2]" 1
1265 2 27 GLU HA 2 30 LEU HG 5.110 . 5.110 4.261 4.074 4.439 . 0 0 "[ . 1 . 2]" 1
1266 1 30 LEU HG 1 42 LEU HG 4.620 . 4.620 4.141 3.934 4.468 . 0 0 "[ . 1 . 2]" 1
1267 2 30 LEU HG 2 42 LEU HG 4.620 . 4.620 4.131 3.957 4.421 . 0 0 "[ . 1 . 2]" 1
1268 1 29 GLU QG 1 33 HIS HD2 4.790 . 4.790 4.896 4.807 5.003 0.213 20 0 "[ . 1 . 2]" 1
1269 2 29 GLU QG 2 33 HIS HD2 4.790 . 4.790 4.895 4.808 4.997 0.207 20 0 "[ . 1 . 2]" 1
1270 1 29 GLU HA 1 29 GLU QG 2.750 . 2.750 2.740 2.347 2.920 0.170 5 0 "[ . 1 . 2]" 1
1271 2 29 GLU HA 2 29 GLU QG 2.750 . 2.750 2.747 2.346 2.914 0.164 5 0 "[ . 1 . 2]" 1
1272 1 31 GLU QB 1 31 GLU HG3 2.770 . 2.770 2.342 2.291 2.417 . 0 0 "[ . 1 . 2]" 1
1273 2 31 GLU QB 2 31 GLU HG3 2.770 . 2.770 2.343 2.302 2.416 . 0 0 "[ . 1 . 2]" 1
1274 1 29 GLU QG 1 30 LEU MD1 5.500 . 5.500 5.531 5.222 5.654 0.154 14 0 "[ . 1 . 2]" 1
1275 2 29 GLU QG 2 30 LEU MD1 5.500 . 5.500 5.530 5.271 5.616 0.116 16 0 "[ . 1 . 2]" 1
1276 1 31 GLU HA 1 31 GLU HG3 3.900 . 3.900 3.769 3.679 3.843 . 0 0 "[ . 1 . 2]" 1
1277 2 31 GLU HA 2 31 GLU HG3 3.900 . 3.900 3.762 3.675 3.852 . 0 0 "[ . 1 . 2]" 1
1278 1 28 LYS HA 1 31 GLU HG2 3.420 . 3.420 2.000 1.896 2.080 . 0 0 "[ . 1 . 2]" 1
1279 2 28 LYS HA 2 31 GLU HG2 3.420 . 3.420 1.983 1.858 2.131 . 0 0 "[ . 1 . 2]" 1
1280 1 31 GLU HA 1 31 GLU HG2 3.740 . 3.740 3.679 3.609 3.717 . 0 0 "[ . 1 . 2]" 1
1281 2 31 GLU HA 2 31 GLU HG2 3.740 . 3.740 3.667 3.608 3.701 . 0 0 "[ . 1 . 2]" 1
1282 1 30 LEU HB3 1 31 GLU HG2 4.570 . 4.570 4.249 3.787 4.582 0.012 5 0 "[ . 1 . 2]" 1
1283 2 30 LEU HB3 2 31 GLU HG2 4.570 . 4.570 4.252 3.891 4.568 . 0 0 "[ . 1 . 2]" 1
1284 1 28 LYS QD 1 31 GLU HG2 4.200 . 4.200 3.036 2.668 3.349 . 0 0 "[ . 1 . 2]" 1
1285 2 28 LYS QD 2 31 GLU HG2 4.200 . 4.200 3.022 2.656 3.426 . 0 0 "[ . 1 . 2]" 1
1286 1 31 GLU QB 1 32 SER QB 5.500 . 5.500 4.965 4.576 5.188 . 0 0 "[ . 1 . 2]" 1
1287 2 31 GLU QB 2 32 SER QB 5.500 . 5.500 4.939 4.544 5.164 . 0 0 "[ . 1 . 2]" 1
1288 1 34 SER HA 1 37 TYR HB3 4.990 . 4.990 3.994 3.792 4.142 . 0 0 "[ . 1 . 2]" 1
1289 2 34 SER HA 2 37 TYR HB3 4.990 . 4.990 3.997 3.841 4.128 . 0 0 "[ . 1 . 2]" 1
1290 1 31 GLU QB 1 34 SER QB 5.050 . 5.050 4.606 4.310 4.956 . 0 0 "[ . 1 . 2]" 1
1291 2 31 GLU QB 2 34 SER QB 5.050 . 5.050 4.601 4.279 4.925 . 0 0 "[ . 1 . 2]" 1
1292 1 75 ALA MB 2 37 TYR HB3 5.050 . 5.050 1.917 1.815 2.017 . 0 0 "[ . 1 . 2]" 1
1293 1 37 TYR HB3 2 75 ALA MB 5.050 . 5.050 1.920 1.793 2.057 . 0 0 "[ . 1 . 2]" 1
1294 1 79 LYS QD 2 37 TYR HB3 5.190 . 5.190 4.461 4.199 4.709 . 0 0 "[ . 1 . 2]" 1
1295 1 37 TYR HB3 2 79 LYS QD 5.190 . 5.190 4.479 4.249 4.719 . 0 0 "[ . 1 . 2]" 1
1296 1 78 ILE MD 2 37 TYR HB3 4.880 . 4.880 3.824 3.398 4.398 . 0 0 "[ . 1 . 2]" 1
1297 1 37 TYR HB3 2 78 ILE MD 4.880 . 4.880 3.837 3.501 4.328 . 0 0 "[ . 1 . 2]" 1
1298 1 78 ILE MD 2 37 TYR HB2 4.760 . 4.760 2.356 2.014 2.918 . 0 0 "[ . 1 . 2]" 1
1299 1 37 TYR HB2 2 78 ILE MD 4.760 . 4.760 2.362 2.064 2.857 . 0 0 "[ . 1 . 2]" 1
1300 1 17 GLU HA 1 20 ARG HG2 3.660 . 3.660 2.204 2.056 2.362 . 0 0 "[ . 1 . 2]" 1
1301 2 17 GLU HA 2 20 ARG HG2 3.660 . 3.660 2.234 2.077 2.393 . 0 0 "[ . 1 . 2]" 1
1302 1 30 LEU HB3 1 31 GLU QB 4.090 . 4.090 4.126 4.065 4.184 0.094 12 0 "[ . 1 . 2]" 1
1303 2 30 LEU HB3 2 31 GLU QB 4.090 . 4.090 4.126 4.092 4.175 0.085 12 0 "[ . 1 . 2]" 1
1304 1 75 ALA MB 1 76 GLU HG2 3.820 . 3.820 3.445 2.700 3.857 0.037 16 0 "[ . 1 . 2]" 1
1305 2 75 ALA MB 2 76 GLU HG2 3.820 . 3.820 3.451 2.641 3.855 0.035 4 0 "[ . 1 . 2]" 1
1306 1 71 ALA MB 2 42 LEU MD2 3.130 . 3.130 2.065 1.984 2.149 . 0 0 "[ . 1 . 2]" 1
1307 1 42 LEU MD2 2 71 ALA MB 3.130 . 3.130 2.059 1.990 2.133 . 0 0 "[ . 1 . 2]" 1
1308 1 42 LEU MD2 1 43 GLN QB 3.680 . 3.680 3.309 3.277 3.361 . 0 0 "[ . 1 . 2]" 1
1309 2 42 LEU MD2 2 43 GLN QB 3.680 . 3.680 3.307 3.275 3.362 . 0 0 "[ . 1 . 2]" 1
1310 1 42 LEU HA 1 42 LEU MD2 3.880 . 3.880 3.795 3.742 3.820 . 0 0 "[ . 1 . 2]" 1
1311 2 42 LEU HA 2 42 LEU MD2 3.880 . 3.880 3.796 3.744 3.831 . 0 0 "[ . 1 . 2]" 1
1312 1 42 LEU MD2 1 43 GLN HA 3.370 . 3.370 2.517 2.405 2.608 . 0 0 "[ . 1 . 2]" 1
1313 2 42 LEU MD2 2 43 GLN HA 3.370 . 3.370 2.520 2.400 2.609 . 0 0 "[ . 1 . 2]" 1
1314 1 62 GLN HA 1 62 GLN QB 2.650 . 2.650 2.190 2.180 2.202 . 0 0 "[ . 1 . 2]" 1
1315 2 62 GLN HA 2 62 GLN QB 2.650 . 2.650 2.193 2.183 2.201 . 0 0 "[ . 1 . 2]" 1
1316 1 59 ILE HA 1 62 GLN QB 4.070 . 4.070 4.076 3.902 4.109 0.039 8 0 "[ . 1 . 2]" 1
1317 2 59 ILE HA 2 62 GLN QB 4.070 . 4.070 4.076 3.982 4.152 0.082 18 0 "[ . 1 . 2]" 1
1318 1 68 LEU HB3 2 43 GLN QB 5.250 . 5.250 4.645 4.378 4.872 . 0 0 "[ . 1 . 2]" 1
1319 1 43 GLN QB 2 68 LEU HB3 5.250 . 5.250 4.640 4.428 4.853 . 0 0 "[ . 1 . 2]" 1
1320 1 30 LEU HG 2 67 GLN QB 4.370 . 4.370 4.143 3.639 4.405 0.035 12 0 "[ . 1 . 2]" 1
1321 1 67 GLN QB 2 30 LEU HG 4.370 . 4.370 4.141 3.712 4.396 0.026 8 0 "[ . 1 . 2]" 1
1322 1 64 ALA MB 1 67 GLN QB 4.940 . 4.940 4.055 3.749 4.346 . 0 0 "[ . 1 . 2]" 1
1323 2 64 ALA MB 2 67 GLN QB 4.940 . 4.940 4.007 3.729 4.308 . 0 0 "[ . 1 . 2]" 1
1324 1 18 GLN HA 1 18 GLN HG3 4.020 . 4.020 2.949 2.569 3.696 . 0 0 "[ . 1 . 2]" 1
1325 2 18 GLN HA 2 18 GLN HG3 4.020 . 4.020 2.959 2.528 3.633 . 0 0 "[ . 1 . 2]" 1
1326 1 43 GLN HA 1 43 GLN HG3 3.530 . 3.530 3.094 2.949 3.176 . 0 0 "[ . 1 . 2]" 1
1327 2 43 GLN HA 2 43 GLN HG3 3.530 . 3.530 3.081 2.954 3.167 . 0 0 "[ . 1 . 2]" 1
1328 1 43 GLN QB 1 43 GLN HG3 2.750 . 2.750 2.377 2.354 2.396 . 0 0 "[ . 1 . 2]" 1
1329 2 43 GLN QB 2 43 GLN HG3 2.750 . 2.750 2.377 2.360 2.406 . 0 0 "[ . 1 . 2]" 1
1330 1 72 LYS HG2 2 43 GLN HG3 4.000 . 4.000 3.932 3.766 4.037 0.037 2 0 "[ . 1 . 2]" 1
1331 1 43 GLN HG3 2 72 LYS HG2 4.000 . 4.000 3.924 3.765 4.026 0.026 8 0 "[ . 1 . 2]" 1
1332 1 42 LEU MD2 1 43 GLN HG3 3.530 . 3.530 1.953 1.837 2.068 . 0 0 "[ . 1 . 2]" 1
1333 2 42 LEU MD2 2 43 GLN HG3 3.530 . 3.530 1.935 1.820 2.066 . 0 0 "[ . 1 . 2]" 1
1334 1 67 GLN HA 1 67 GLN HG3 3.800 . 3.800 2.525 2.268 2.792 . 0 0 "[ . 1 . 2]" 1
1335 2 67 GLN HA 2 67 GLN HG2 3.610 . 3.610 3.331 2.719 3.649 0.039 6 0 "[ . 1 . 2]" 1
1336 1 43 GLN HA 1 43 GLN HG2 3.230 . 3.230 2.654 2.602 2.728 . 0 0 "[ . 1 . 2]" 1
1337 2 43 GLN HA 2 43 GLN HG2 3.230 . 3.230 2.652 2.597 2.737 . 0 0 "[ . 1 . 2]" 1
1338 1 42 LEU MD2 1 43 GLN HG2 3.900 . 3.900 2.240 2.122 2.461 . 0 0 "[ . 1 . 2]" 1
1339 2 42 LEU MD2 2 43 GLN HG2 3.900 . 3.900 2.237 2.130 2.440 . 0 0 "[ . 1 . 2]" 1
1340 1 17 GLU HA 1 20 ARG QD 3.860 . 3.860 2.806 1.946 3.129 . 0 0 "[ . 1 . 2]" 1
1341 2 17 GLU HA 2 20 ARG QD 3.860 . 3.860 2.828 1.991 3.132 . 0 0 "[ . 1 . 2]" 1
1342 1 44 LYS HA 1 44 LYS QG 3.120 . 3.120 2.770 2.555 2.919 . 0 0 "[ . 1 . 2]" 1
1343 2 44 LYS HA 2 44 LYS QG 3.120 . 3.120 2.770 2.582 2.932 . 0 0 "[ . 1 . 2]" 1
1344 1 66 LYS QE 1 66 LYS HG2 3.570 . 3.570 3.127 2.338 3.550 . 0 0 "[ . 1 . 2]" 1
1345 2 66 LYS QE 2 66 LYS HG2 3.570 . 3.570 3.097 2.354 3.387 . 0 0 "[ . 1 . 2]" 1
1346 1 44 LYS HA 1 44 LYS QD 2.820 . 2.820 2.058 1.960 2.282 . 0 0 "[ . 1 . 2]" 1
1347 2 44 LYS HA 2 44 LYS QD 2.820 . 2.820 2.070 1.958 2.249 . 0 0 "[ . 1 . 2]" 1
1348 1 66 LYS HA 1 69 LEU HB3 3.580 . 3.580 2.989 2.436 3.658 0.078 6 0 "[ . 1 . 2]" 1
1349 2 66 LYS HA 2 69 LEU HB3 3.580 . 3.580 3.001 2.456 3.654 0.074 6 0 "[ . 1 . 2]" 1
1350 1 66 LYS QE 1 69 LEU HB3 4.060 . 4.060 2.656 2.262 3.147 . 0 0 "[ . 1 . 2]" 1
1351 2 66 LYS QE 2 69 LEU HB3 4.060 . 4.060 2.658 2.305 3.105 . 0 0 "[ . 1 . 2]" 1
1352 1 27 GLU QB 1 30 LEU HB3 5.100 . 5.100 3.994 3.856 4.097 . 0 0 "[ . 1 . 2]" 1
1353 2 27 GLU QB 2 30 LEU HB3 5.100 . 5.100 3.989 3.853 4.089 . 0 0 "[ . 1 . 2]" 1
1354 1 27 GLU HA 1 46 LEU MD1 4.230 . 4.230 3.243 3.013 3.440 . 0 0 "[ . 1 . 2]" 1
1355 2 27 GLU HA 2 46 LEU MD1 4.230 . 4.230 3.233 3.009 3.545 . 0 0 "[ . 1 . 2]" 1
1356 1 46 LEU MD1 1 50 HIS HB3 6.270 . 6.270 4.745 4.169 5.559 . 0 0 "[ . 1 . 2]" 1
1357 2 46 LEU MD1 2 50 HIS HB3 6.270 . 6.270 4.710 4.141 5.528 . 0 0 "[ . 1 . 2]" 1
1358 1 44 LYS HA 1 47 GLN HB2 3.690 . 3.690 3.458 2.930 3.714 0.024 16 0 "[ . 1 . 2]" 1
1359 2 44 LYS HA 2 47 GLN HB2 3.690 . 3.690 3.393 2.917 3.711 0.021 16 0 "[ . 1 . 2]" 1
1360 1 44 LYS HA 1 47 GLN QG 3.850 . 3.850 3.884 3.728 3.946 0.096 17 0 "[ . 1 . 2]" 1
1361 2 44 LYS HA 2 47 GLN QG 3.850 . 3.850 3.865 3.448 3.964 0.114 4 0 "[ . 1 . 2]" 1
1362 1 47 GLN QG 1 48 LEU HA 4.220 . 4.220 3.581 3.294 3.787 . 0 0 "[ . 1 . 2]" 1
1363 2 47 GLN QG 2 48 LEU HA 4.220 . 4.220 3.606 3.393 3.903 . 0 0 "[ . 1 . 2]" 1
1364 1 47 GLN HA 1 47 GLN QG 3.520 . 3.520 2.818 2.465 3.140 . 0 0 "[ . 1 . 2]" 1
1365 2 47 GLN HA 2 47 GLN QG 3.520 . 3.520 2.799 2.460 3.100 . 0 0 "[ . 1 . 2]" 1
1366 1 48 LEU HB2 1 49 THR HA 5.010 . 5.010 4.616 4.185 4.739 . 0 0 "[ . 1 . 2]" 1
1367 2 48 LEU HB2 2 49 THR HA 5.010 . 5.010 4.611 4.160 4.743 . 0 0 "[ . 1 . 2]" 1
1368 1 62 GLN QB 1 63 ASN HA 4.570 . 4.570 4.498 4.301 4.583 0.013 12 0 "[ . 1 . 2]" 1
1369 2 62 GLN QB 2 63 ASN HA 4.570 . 4.570 4.498 4.323 4.575 0.005 15 0 "[ . 1 . 2]" 1
1370 1 49 THR HB 1 53 GLU QB 5.500 . 5.500 5.288 5.085 5.435 . 0 0 "[ . 1 . 2]" 1
1371 2 49 THR HB 2 53 GLU QB 5.500 . 5.500 5.293 5.018 5.436 . 0 0 "[ . 1 . 2]" 1
1372 1 60 LYS HA 2 27 GLU QB 5.500 . 5.500 5.210 4.996 5.359 . 0 0 "[ . 1 . 2]" 1
1373 1 27 GLU QB 2 60 LYS HA 5.500 . 5.500 5.205 5.001 5.355 . 0 0 "[ . 1 . 2]" 1
1374 1 17 GLU HB3 1 20 ARG QD 5.500 . 5.500 4.774 3.319 5.360 . 0 0 "[ . 1 . 2]" 1
1375 2 17 GLU HB3 2 20 ARG QD 5.500 . 5.500 4.809 3.451 5.502 0.002 13 0 "[ . 1 . 2]" 1
1376 1 40 GLU HA 1 40 GLU QG 3.050 . 3.050 2.431 2.312 2.550 . 0 0 "[ . 1 . 2]" 1
1377 2 40 GLU HA 2 40 GLU QG 3.050 . 3.050 2.435 2.332 2.532 . 0 0 "[ . 1 . 2]" 1
1378 1 72 LYS QE 1 76 GLU HG2 4.010 . 4.010 3.217 2.140 3.912 . 0 0 "[ . 1 . 2]" 1
1379 2 72 LYS QE 2 76 GLU HG2 4.010 . 4.010 3.228 2.142 4.019 0.009 13 0 "[ . 1 . 2]" 1
1380 1 40 GLU QG 1 44 LYS QD 3.720 . 3.720 3.356 2.040 3.827 0.107 18 0 "[ . 1 . 2]" 1
1381 2 40 GLU QG 2 44 LYS QD 3.720 . 3.720 3.355 2.118 3.817 0.097 18 0 "[ . 1 . 2]" 1
1382 1 64 ALA MB 1 65 GLU HG2 4.170 . 4.170 4.034 3.732 4.174 0.004 4 0 "[ . 1 . 2]" 1
1383 2 64 ALA MB 2 65 GLU HG2 4.170 . 4.170 4.056 3.799 4.192 0.022 1 0 "[ . 1 . 2]" 1
1384 1 73 GLU HA 1 73 GLU HG2 3.390 . 3.390 2.750 2.490 2.971 . 0 0 "[ . 1 . 2]" 1
1385 2 73 GLU HA 2 73 GLU HG2 3.390 . 3.390 2.744 2.529 2.925 . 0 0 "[ . 1 . 2]" 1
1386 1 65 GLU HA 1 65 GLU HG2 3.270 . 3.270 2.496 2.450 2.544 . 0 0 "[ . 1 . 2]" 1
1387 2 65 GLU HA 2 65 GLU HG2 3.270 . 3.270 2.483 2.392 2.551 . 0 0 "[ . 1 . 2]" 1
1388 1 52 VAL MG1 1 56 TYR QD 5.500 . 5.500 2.011 1.918 2.120 . 0 0 "[ . 1 . 2]" 1
1389 1 52 VAL MG1 1 56 TYR HE2 4.660 . 4.660 3.080 2.147 5.303 0.643 9 5 "[ **. * +1 - 2]" 1
1390 1 52 VAL HA 1 52 VAL MG1 3.350 . 3.350 2.586 2.432 2.637 . 0 0 "[ . 1 . 2]" 1
1391 2 52 VAL HA 2 52 VAL MG2 3.350 . 3.350 2.263 2.221 2.338 . 0 0 "[ . 1 . 2]" 1
1392 1 52 VAL MG1 2 20 ARG HB3 4.420 . 4.420 2.818 2.433 3.264 . 0 0 "[ . 1 . 2]" 1
1393 1 53 GLU HA 1 53 GLU HG2 3.930 . 3.930 3.835 3.794 3.904 . 0 0 "[ . 1 . 2]" 1
1394 1 53 GLU HG2 1 54 VAL MG2 3.900 . 3.900 2.961 2.892 3.035 . 0 0 "[ . 1 . 2]" 1
1395 1 72 LYS QE 1 76 GLU HG3 4.280 . 4.280 2.134 1.905 2.484 . 0 0 "[ . 1 . 2]" 1
1396 2 72 LYS QE 2 76 GLU HG3 4.280 . 4.280 2.164 1.939 2.431 . 0 0 "[ . 1 . 2]" 1
1397 1 28 LYS QD 1 31 GLU HG3 3.520 . 3.520 3.092 2.503 3.625 0.105 7 0 "[ . 1 . 2]" 1
1398 2 28 LYS QD 2 31 GLU HG3 3.520 . 3.520 3.078 2.521 3.644 0.124 7 0 "[ . 1 . 2]" 1
1399 1 53 GLU HG3 1 54 VAL MG2 3.870 . 3.870 2.250 2.167 2.324 . 0 0 "[ . 1 . 2]" 1
1400 1 54 VAL HA 1 57 TYR HB3 3.930 . 3.930 2.451 2.309 2.562 . 0 0 "[ . 1 . 2]" 1
1401 2 54 VAL HA 2 57 TYR HB3 3.930 . 3.930 2.443 2.313 2.559 . 0 0 "[ . 1 . 2]" 1
1402 1 51 GLU HA 1 54 VAL HB 4.020 . 4.020 3.204 2.990 3.381 . 0 0 "[ . 1 . 2]" 1
1403 2 51 GLU HA 2 54 VAL HB 4.020 . 4.020 3.193 2.960 3.412 . 0 0 "[ . 1 . 2]" 1
1404 1 49 THR HA 1 52 VAL HB 3.850 . 3.850 2.620 2.394 3.163 . 0 0 "[ . 1 . 2]" 1
1405 2 49 THR HA 2 52 VAL HB 3.850 . 3.850 2.624 2.352 3.271 . 0 0 "[ . 1 . 2]" 1
1406 1 44 LYS QD 1 47 GLN HB3 4.000 . 4.000 3.412 2.950 4.011 0.011 16 0 "[ . 1 . 2]" 1
1407 2 44 LYS QD 2 47 GLN HB3 4.000 . 4.000 3.413 2.883 3.984 . 0 0 "[ . 1 . 2]" 1
1408 1 55 GLN QG 1 59 ILE MG 3.400 . 3.400 3.070 2.875 3.280 . 0 0 "[ . 1 . 2]" 1
1409 2 55 GLN QG 2 59 ILE MG 3.400 . 3.400 3.092 2.901 3.296 . 0 0 "[ . 1 . 2]" 1
1410 1 55 GLN HA 1 55 GLN QG 3.330 . 3.330 2.920 2.509 3.093 . 0 0 "[ . 1 . 2]" 1
1411 2 55 GLN HA 2 55 GLN QG 3.330 . 3.330 2.916 2.517 3.126 . 0 0 "[ . 1 . 2]" 1
1412 1 52 VAL HA 1 55 GLN QG 4.170 . 4.170 4.138 3.939 4.243 0.073 7 0 "[ . 1 . 2]" 1
1413 2 52 VAL HA 2 55 GLN QG 4.170 . 4.170 4.128 3.886 4.243 0.073 11 0 "[ . 1 . 2]" 1
1414 1 44 LYS QB 1 44 LYS QD 3.090 . 3.090 2.325 2.166 2.696 . 0 0 "[ . 1 . 2]" 1
1415 2 44 LYS QB 2 44 LYS QD 3.090 . 3.090 2.318 2.189 2.692 . 0 0 "[ . 1 . 2]" 1
1416 1 56 TYR QD 1 60 LYS QD 4.430 . 4.430 2.519 2.190 3.017 . 0 0 "[ . 1 . 2]" 1
1417 2 56 TYR QD 2 60 LYS QD 4.430 . 4.430 2.534 2.217 3.015 . 0 0 "[ . 1 . 2]" 1
1418 1 60 LYS HA 1 60 LYS QD 4.000 . 4.000 4.009 3.991 4.017 0.017 20 0 "[ . 1 . 2]" 1
1419 2 60 LYS HA 2 60 LYS QD 4.000 . 4.000 4.008 3.997 4.019 0.019 15 0 "[ . 1 . 2]" 1
1420 1 23 LEU HG 2 60 LYS QD 3.960 . 3.960 3.580 2.992 3.983 0.023 8 0 "[ . 1 . 2]" 1
1421 1 60 LYS QD 2 23 LEU HG 3.960 . 3.960 3.535 2.931 3.975 0.015 8 0 "[ . 1 . 2]" 1
1422 1 59 ILE MG 1 60 LYS QD 4.580 . 4.580 3.835 3.606 4.118 . 0 0 "[ . 1 . 2]" 1
1423 2 59 ILE MG 2 60 LYS QD 4.580 . 4.580 3.834 3.633 4.084 . 0 0 "[ . 1 . 2]" 1
1424 1 58 ASN HA 1 61 LYS HB2 4.000 . 4.000 4.009 3.907 4.052 0.052 10 0 "[ . 1 . 2]" 1
1425 2 58 ASN HA 2 61 LYS HB2 4.000 . 4.000 4.025 3.990 4.061 0.061 6 0 "[ . 1 . 2]" 1
1426 1 61 LYS HB3 1 61 LYS QE 4.390 . 4.390 4.153 4.114 4.186 . 0 0 "[ . 1 . 2]" 1
1427 2 61 LYS HB3 2 61 LYS QE 4.390 . 4.390 4.156 4.119 4.197 . 0 0 "[ . 1 . 2]" 1
1428 1 57 TYR HE2 2 61 LYS HD2 4.870 . 4.870 4.676 4.546 4.777 . 0 0 "[ . 1 . 2]" 1
1429 1 61 LYS HD2 2 57 TYR HE2 4.870 . 4.870 4.685 4.529 4.778 . 0 0 "[ . 1 . 2]" 1
1430 1 58 ASN HA 1 61 LYS HD2 4.730 . 4.730 4.545 4.367 4.742 0.012 20 0 "[ . 1 . 2]" 1
1431 2 58 ASN HA 2 61 LYS HD2 4.730 . 4.730 4.565 4.352 4.749 0.019 19 0 "[ . 1 . 2]" 1
1432 1 58 ASN HA 1 61 LYS HD3 5.170 . 5.170 4.257 3.925 4.474 . 0 0 "[ . 1 . 2]" 1
1433 2 58 ASN HA 2 61 LYS HD3 5.170 . 5.170 4.273 4.063 4.510 . 0 0 "[ . 1 . 2]" 1
1434 1 62 GLN HA 1 62 GLN HG2 3.890 . 3.890 3.796 3.753 3.835 . 0 0 "[ . 1 . 2]" 1
1435 2 62 GLN HA 2 62 GLN HG2 3.890 . 3.890 3.795 3.748 3.846 . 0 0 "[ . 1 . 2]" 1
1436 1 43 GLN HG2 2 72 LYS HA 2.870 . 2.870 2.706 2.482 2.889 0.019 17 0 "[ . 1 . 2]" 1
1437 1 72 LYS HA 2 43 GLN HG2 2.870 . 2.870 2.696 2.503 2.877 0.007 17 0 "[ . 1 . 2]" 1
1438 1 42 LEU MD2 2 72 LYS HA 3.280 . 3.280 2.929 2.734 3.186 . 0 0 "[ . 1 . 2]" 1
1439 1 72 LYS HA 2 42 LEU MD2 3.280 . 3.280 2.933 2.786 3.161 . 0 0 "[ . 1 . 2]" 1
1440 1 72 LYS QE 2 43 GLN QB 4.890 . 4.890 4.688 4.400 5.014 0.124 4 0 "[ . 1 . 2]" 1
1441 1 43 GLN QB 2 72 LYS QE 4.890 . 4.890 4.687 4.302 4.936 0.046 3 0 "[ . 1 . 2]" 1
1442 1 62 GLN HA 1 62 GLN HG3 4.170 . 4.170 3.778 3.751 3.810 . 0 0 "[ . 1 . 2]" 1
1443 2 62 GLN HA 2 62 GLN HG3 4.170 . 4.170 3.785 3.739 3.825 . 0 0 "[ . 1 . 2]" 1
1444 1 59 ILE HA 1 62 GLN HG3 4.460 . 4.460 3.285 2.992 3.469 . 0 0 "[ . 1 . 2]" 1
1445 2 59 ILE HA 2 62 GLN HG3 4.460 . 4.460 3.261 2.913 3.439 . 0 0 "[ . 1 . 2]" 1
1446 1 30 LEU HB3 2 67 GLN HG2 4.420 . 4.420 3.526 3.186 3.800 . 0 0 "[ . 1 . 2]" 1
1447 1 30 LEU HG 2 67 GLN HG2 4.450 . 4.450 4.202 2.858 4.485 0.035 9 0 "[ . 1 . 2]" 1
1448 2 64 ALA HA 2 67 GLN HG2 4.690 . 4.690 4.724 4.575 4.792 0.102 12 0 "[ . 1 . 2]" 1
1449 1 64 ALA HA 1 67 GLN QB 3.420 . 3.420 2.731 2.387 2.976 . 0 0 "[ . 1 . 2]" 1
1450 2 64 ALA HA 2 67 GLN QB 3.420 . 3.420 2.674 2.358 2.899 . 0 0 "[ . 1 . 2]" 1
1451 1 61 LYS HD3 1 65 GLU HG3 5.150 . 5.150 5.208 5.186 5.233 0.083 2 0 "[ . 1 . 2]" 1
1452 2 61 LYS HD3 2 65 GLU HG3 5.150 . 5.150 5.205 5.188 5.224 0.074 5 0 "[ . 1 . 2]" 1
1453 1 64 ALA MB 1 65 GLU HG3 4.670 . 4.670 3.377 3.197 3.488 . 0 0 "[ . 1 . 2]" 1
1454 2 64 ALA MB 2 65 GLU HG3 4.670 . 4.670 3.424 3.157 3.530 . 0 0 "[ . 1 . 2]" 1
1455 1 61 LYS HG3 1 65 GLU HG3 4.340 . 4.340 3.435 3.247 3.680 . 0 0 "[ . 1 . 2]" 1
1456 2 61 LYS HG3 2 65 GLU HG3 4.340 . 4.340 3.448 3.292 3.748 . 0 0 "[ . 1 . 2]" 1
1457 1 65 GLU HA 1 65 GLU HG3 3.650 . 3.650 3.209 3.119 3.294 . 0 0 "[ . 1 . 2]" 1
1458 2 65 GLU HA 2 65 GLU HG3 3.650 . 3.650 3.212 3.165 3.308 . 0 0 "[ . 1 . 2]" 1
1459 1 63 ASN HA 1 67 GLN QB 5.120 . 5.120 4.066 3.862 4.289 . 0 0 "[ . 1 . 2]" 1
1460 2 63 ASN HA 2 67 GLN QB 5.120 . 5.120 4.061 3.875 4.437 . 0 0 "[ . 1 . 2]" 1
1461 1 67 GLN QB 1 68 LEU HB2 5.100 . 5.100 4.420 4.215 4.616 . 0 0 "[ . 1 . 2]" 1
1462 2 67 GLN QB 2 68 LEU HB2 5.100 . 5.100 4.424 4.196 4.588 . 0 0 "[ . 1 . 2]" 1
1463 1 30 LEU HB3 2 67 GLN HG3 5.190 . 5.190 4.629 4.253 4.902 . 0 0 "[ . 1 . 2]" 1
1464 1 43 GLN HA 2 68 LEU HG 4.260 . 4.260 4.325 4.286 4.369 0.109 20 0 "[ . 1 . 2]" 1
1465 1 68 LEU HG 2 43 GLN HA 4.260 . 4.260 4.325 4.294 4.374 0.114 20 0 "[ . 1 . 2]" 1
1466 1 68 LEU HA 1 68 LEU HG 3.980 . 3.980 3.088 3.017 3.172 . 0 0 "[ . 1 . 2]" 1
1467 2 68 LEU HA 2 68 LEU HG 3.980 . 3.980 3.088 2.990 3.172 . 0 0 "[ . 1 . 2]" 1
1468 1 69 LEU HA 1 69 LEU HG 4.210 . 4.210 3.345 2.512 3.877 . 0 0 "[ . 1 . 2]" 1
1469 2 69 LEU HA 2 69 LEU HG 4.210 . 4.210 3.346 2.571 3.866 . 0 0 "[ . 1 . 2]" 1
1470 1 66 LYS QE 1 69 LEU HG 4.260 . 4.260 3.406 2.602 4.414 0.154 2 0 "[ . 1 . 2]" 1
1471 2 66 LYS QE 2 69 LEU HG 4.260 . 4.260 3.411 2.617 4.429 0.169 2 0 "[ . 1 . 2]" 1
1472 1 45 TRP HD1 2 68 LEU MD1 4.540 . 4.540 4.594 4.555 4.645 0.105 20 0 "[ . 1 . 2]" 1
1473 1 68 LEU MD1 2 45 TRP HD1 4.540 . 4.540 4.588 4.557 4.644 0.104 20 0 "[ . 1 . 2]" 1
1474 1 69 LEU HA 1 69 LEU MD2 3.980 . 3.980 2.327 1.964 3.822 . 0 0 "[ . 1 . 2]" 1
1475 2 69 LEU HA 2 69 LEU MD2 3.980 . 3.980 2.316 1.987 3.843 . 0 0 "[ . 1 . 2]" 1
1476 1 42 LEU HA 2 68 LEU MD1 4.990 . 4.990 5.059 5.001 5.084 0.094 7 0 "[ . 1 . 2]" 1
1477 1 68 LEU MD1 2 42 LEU HA 4.990 . 4.990 5.064 5.025 5.102 0.112 4 0 "[ . 1 . 2]" 1
1478 1 66 LYS QE 1 69 LEU MD2 3.960 . 3.960 3.656 1.856 4.066 0.106 11 0 "[ . 1 . 2]" 1
1479 2 66 LYS QE 2 69 LEU MD2 3.960 . 3.960 3.656 1.857 4.041 0.081 5 0 "[ . 1 . 2]" 1
1480 1 69 LEU HA 1 69 LEU MD1 3.980 . 3.980 3.109 2.060 3.862 . 0 0 "[ . 1 . 2]" 1
1481 2 69 LEU HA 2 69 LEU MD1 3.980 . 3.980 3.110 2.070 3.868 . 0 0 "[ . 1 . 2]" 1
1482 1 66 LYS QE 1 69 LEU MD1 3.960 . 3.960 2.811 1.838 4.120 0.160 8 0 "[ . 1 . 2]" 1
1483 2 66 LYS QE 2 69 LEU MD1 3.960 . 3.960 2.818 1.869 4.125 0.165 8 0 "[ . 1 . 2]" 1
1484 1 43 GLN HG2 2 68 LEU MD2 4.000 . 4.000 3.272 3.126 3.387 . 0 0 "[ . 1 . 2]" 1
1485 1 68 LEU MD2 2 43 GLN HG2 4.000 . 4.000 3.260 3.083 3.417 . 0 0 "[ . 1 . 2]" 1
1486 1 27 GLU HA 1 30 LEU HB3 4.370 . 4.370 2.921 2.806 3.219 . 0 0 "[ . 1 . 2]" 1
1487 2 27 GLU HA 2 30 LEU HB3 4.370 . 4.370 2.909 2.786 3.187 . 0 0 "[ . 1 . 2]" 1
1488 1 66 LYS HA 1 69 LEU HB2 3.720 . 3.720 2.439 2.140 2.746 . 0 0 "[ . 1 . 2]" 1
1489 2 66 LYS HA 2 69 LEU HB2 3.720 . 3.720 2.432 2.135 2.738 . 0 0 "[ . 1 . 2]" 1
1490 1 66 LYS HA 1 69 LEU HG 4.380 . 4.380 3.811 2.567 4.482 0.102 8 0 "[ . 1 . 2]" 1
1491 2 66 LYS HA 2 69 LEU HG 4.380 . 4.380 3.822 2.702 4.483 0.103 8 0 "[ . 1 . 2]" 1
1492 1 45 TRP HD1 2 68 LEU MD2 4.540 . 4.540 3.522 3.226 3.725 . 0 0 "[ . 1 . 2]" 1
1493 1 68 LEU MD2 2 45 TRP HD1 4.540 . 4.540 3.509 3.274 3.707 . 0 0 "[ . 1 . 2]" 1
1494 1 42 LEU HA 2 68 LEU MD2 4.990 . 4.990 3.918 3.833 4.021 . 0 0 "[ . 1 . 2]" 1
1495 1 68 LEU MD2 2 42 LEU HA 4.990 . 4.990 3.912 3.841 4.023 . 0 0 "[ . 1 . 2]" 1
1496 1 46 LEU HB3 2 68 LEU MD2 4.150 . 4.150 2.640 2.215 3.464 . 0 0 "[ . 1 . 2]" 1
1497 1 68 LEU MD2 2 46 LEU HB3 4.150 . 4.150 2.613 2.235 3.494 . 0 0 "[ . 1 . 2]" 1
1498 1 75 ALA HA 1 77 LYS QB 5.340 . 5.340 5.055 4.830 5.333 . 0 0 "[ . 1 . 2]" 1
1499 2 75 ALA HA 2 77 LYS QB 5.340 . 5.340 5.033 4.760 5.332 . 0 0 "[ . 1 . 2]" 1
1500 1 75 ALA HA 1 78 ILE HG12 2.980 . 2.980 2.091 2.019 2.288 . 0 0 "[ . 1 . 2]" 1
1501 2 75 ALA HA 2 78 ILE HG12 2.980 . 2.980 2.106 2.019 2.246 . 0 0 "[ . 1 . 2]" 1
1502 1 26 ALA MB 1 45 TRP HH2 4.460 . 4.460 1.885 1.799 2.005 . 0 0 "[ . 1 . 2]" 1
1503 2 26 ALA MB 2 45 TRP HH2 4.460 . 4.460 1.873 1.793 1.992 . 0 0 "[ . 1 . 2]" 1
1504 1 26 ALA MB 1 45 TRP HZ3 3.650 . 3.650 3.653 3.595 3.718 0.068 17 0 "[ . 1 . 2]" 1
1505 2 26 ALA MB 2 45 TRP HZ3 3.650 . 3.650 3.660 3.509 3.737 0.087 20 0 "[ . 1 . 2]" 1
1506 1 37 TYR HA 2 75 ALA MB 4.540 . 4.540 3.677 3.550 3.836 . 0 0 "[ . 1 . 2]" 1
1507 1 75 ALA MB 2 37 TYR HA 4.540 . 4.540 3.682 3.536 3.814 . 0 0 "[ . 1 . 2]" 1
1508 1 37 TYR HB2 2 71 ALA MB 4.670 . 4.670 4.746 4.712 4.801 0.131 3 0 "[ . 1 . 2]" 1
1509 1 71 ALA MB 2 37 TYR HB2 4.670 . 4.670 4.747 4.711 4.796 0.126 20 0 "[ . 1 . 2]" 1
1510 1 43 GLN HG3 2 75 ALA MB 5.500 . 5.500 4.176 3.962 4.288 . 0 0 "[ . 1 . 2]" 1
1511 1 75 ALA MB 2 43 GLN HG3 5.500 . 5.500 4.164 3.964 4.294 . 0 0 "[ . 1 . 2]" 1
1512 1 39 PRO HG2 1 41 ALA MB 3.240 . 3.240 2.904 2.723 3.196 . 0 0 "[ . 1 . 2]" 1
1513 2 39 PRO HG2 2 41 ALA MB 3.240 . 3.240 2.870 2.618 3.229 . 0 0 "[ . 1 . 2]" 1
1514 1 43 GLN HG2 2 72 LYS QB 4.020 . 4.020 2.808 2.423 3.033 . 0 0 "[ . 1 . 2]" 1
1515 1 72 LYS QB 2 43 GLN HG2 4.020 . 4.020 2.800 2.458 3.021 . 0 0 "[ . 1 . 2]" 1
1516 1 68 LEU HB3 1 72 LYS QB 3.710 . 3.710 3.024 2.789 3.197 . 0 0 "[ . 1 . 2]" 1
1517 2 68 LEU HB3 2 72 LYS QB 3.710 . 3.710 3.027 2.793 3.248 . 0 0 "[ . 1 . 2]" 1
1518 1 71 ALA MB 1 72 LYS QB 3.900 . 3.900 3.682 3.536 3.852 . 0 0 "[ . 1 . 2]" 1
1519 2 71 ALA MB 2 72 LYS QB 3.900 . 3.900 3.679 3.497 3.893 . 0 0 "[ . 1 . 2]" 1
1520 1 42 LEU MD2 2 72 LYS QB 4.080 . 4.080 3.443 3.089 3.764 . 0 0 "[ . 1 . 2]" 1
1521 1 72 LYS QB 2 42 LEU MD2 4.080 . 4.080 3.450 3.199 3.706 . 0 0 "[ . 1 . 2]" 1
1522 1 43 GLN HG2 2 72 LYS HG3 4.400 . 4.400 3.595 3.048 3.952 . 0 0 "[ . 1 . 2]" 1
1523 1 72 LYS HG3 2 43 GLN HG2 4.400 . 4.400 3.597 3.223 3.953 . 0 0 "[ . 1 . 2]" 1
1524 1 66 LYS QE 1 66 LYS HG3 3.570 . 3.570 2.655 2.364 3.486 . 0 0 "[ . 1 . 2]" 1
1525 2 66 LYS QE 2 66 LYS HG3 3.570 . 3.570 2.679 2.343 3.513 . 0 0 "[ . 1 . 2]" 1
1526 1 43 GLN HG2 2 72 LYS HG2 4.300 . 4.300 2.627 2.433 2.795 . 0 0 "[ . 1 . 2]" 1
1527 1 72 LYS HG2 2 43 GLN HG2 4.300 . 4.300 2.628 2.459 2.804 . 0 0 "[ . 1 . 2]" 1
1528 1 38 ALA HA 2 79 LYS QD 4.020 . 4.020 3.763 3.232 4.049 0.029 11 0 "[ . 1 . 2]" 1
1529 1 79 LYS QD 2 38 ALA HA 4.020 . 4.020 3.756 3.186 4.052 0.032 9 0 "[ . 1 . 2]" 1
1530 1 79 LYS HA 1 79 LYS QD 4.560 . 4.560 3.280 2.437 4.012 . 0 0 "[ . 1 . 2]" 1
1531 2 79 LYS HA 2 79 LYS QD 4.560 . 4.560 3.244 2.336 3.968 . 0 0 "[ . 1 . 2]" 1
1532 1 81 LYS HA 1 81 LYS QD 4.490 . 4.490 3.642 1.991 4.538 0.048 1 0 "[ . 1 . 2]" 1
1533 2 81 LYS HA 2 81 LYS QD 4.490 . 4.490 3.628 1.992 4.514 0.024 1 0 "[ . 1 . 2]" 1
1534 1 77 LYS HA 1 77 LYS QD 3.410 . 3.410 2.260 1.962 3.461 0.051 4 0 "[ . 1 . 2]" 1
1535 2 77 LYS HA 2 77 LYS QD 3.410 . 3.410 2.268 1.948 3.455 0.045 4 0 "[ . 1 . 2]" 1
1536 1 25 LYS HA 1 25 LYS QD 3.190 . 3.190 2.629 1.961 3.522 0.332 18 0 "[ . 1 . 2]" 1
1537 2 25 LYS HA 2 25 LYS QD 3.190 . 3.190 2.618 1.983 3.513 0.323 18 0 "[ . 1 . 2]" 1
1538 1 59 ILE HG12 1 62 GLN HG3 4.040 . 4.040 3.848 3.635 4.043 0.003 4 0 "[ . 1 . 2]" 1
1539 2 59 ILE HG12 2 62 GLN HG3 4.040 . 4.040 3.842 3.546 4.025 . 0 0 "[ . 1 . 2]" 1
1540 1 72 LYS HD3 1 73 GLU HG3 4.530 . 4.530 4.319 3.612 4.621 0.091 8 0 "[ . 1 . 2]" 1
1541 2 72 LYS HD3 2 73 GLU HG3 4.530 . 4.530 4.302 3.533 4.627 0.097 10 0 "[ . 1 . 2]" 1
1542 1 78 ILE MD 1 79 LYS QD 3.370 . 3.370 2.328 1.994 2.804 . 0 0 "[ . 1 . 2]" 1
1543 2 78 ILE MD 2 79 LYS QD 3.370 . 3.370 2.288 2.058 2.632 . 0 0 "[ . 1 . 2]" 1
1544 1 78 ILE HA 1 78 ILE HG12 4.230 . 4.230 3.804 3.740 3.893 . 0 0 "[ . 1 . 2]" 1
1545 2 78 ILE HA 2 78 ILE HG12 4.230 . 4.230 3.807 3.753 3.887 . 0 0 "[ . 1 . 2]" 1
1546 1 74 GLY QA 1 78 ILE HG12 4.590 . 4.590 4.127 3.708 4.476 . 0 0 "[ . 1 . 2]" 1
1547 2 74 GLY QA 2 78 ILE HG12 4.590 . 4.590 4.131 3.704 4.530 . 0 0 "[ . 1 . 2]" 1
1548 1 9 GLN HA 1 12 ALA MB 3.730 . 3.730 2.327 2.102 2.806 . 0 0 "[ . 1 . 2]" 1
1549 2 9 GLN HA 2 12 ALA MB 3.730 . 3.730 2.325 2.013 2.873 . 0 0 "[ . 1 . 2]" 1
1550 1 78 ILE MD 1 79 LYS HA 4.330 . 4.330 4.402 4.354 4.487 0.157 7 0 "[ . 1 . 2]" 1
1551 2 78 ILE MD 2 79 LYS HA 4.330 . 4.330 4.395 4.354 4.448 0.118 1 0 "[ . 1 . 2]" 1
1552 1 76 GLU HA 1 79 LYS HB2 3.940 . 3.940 3.197 2.838 3.598 . 0 0 "[ . 1 . 2]" 1
1553 2 76 GLU HA 2 79 LYS HB2 3.940 . 3.940 3.198 2.665 3.508 . 0 0 "[ . 1 . 2]" 1
1554 1 76 GLU HA 1 79 LYS HB3 4.390 . 4.390 4.288 3.909 4.486 0.096 6 0 "[ . 1 . 2]" 1
1555 2 76 GLU HA 2 79 LYS HB3 4.390 . 4.390 4.278 3.721 4.456 0.066 6 0 "[ . 1 . 2]" 1
1556 1 72 LYS HA 1 72 LYS HG2 3.180 . 3.180 2.610 2.478 2.668 . 0 0 "[ . 1 . 2]" 1
1557 2 72 LYS HA 2 72 LYS HG2 3.180 . 3.180 2.606 2.490 2.678 . 0 0 "[ . 1 . 2]" 1
1558 1 8 ARG HA 1 11 TYR QD 4.240 . 4.240 2.526 2.048 3.104 . 0 0 "[ . 1 . 2]" 1
1559 2 8 ARG HA 2 11 TYR QD 4.240 . 4.240 2.516 1.975 3.095 . 0 0 "[ . 1 . 2]" 1
1560 1 80 LYS HA 1 80 LYS QE 5.070 . 5.070 4.298 2.731 5.059 . 0 0 "[ . 1 . 2]" 1
1561 2 80 LYS HA 2 80 LYS QE 5.070 . 5.070 4.317 2.838 5.075 0.005 4 0 "[ . 1 . 2]" 1
1562 1 81 LYS HA 1 81 LYS QE 4.840 . 4.840 4.147 1.948 4.921 0.081 13 0 "[ . 1 . 2]" 1
1563 2 81 LYS HA 2 81 LYS QE 4.840 . 4.840 4.158 1.989 4.965 0.125 16 0 "[ . 1 . 2]" 1
1564 1 8 ARG HA 1 8 ARG HB3 3.000 . 3.000 2.499 2.422 2.606 . 0 0 "[ . 1 . 2]" 1
1565 2 8 ARG HA 2 8 ARG HB3 3.000 . 3.000 2.499 2.420 2.597 . 0 0 "[ . 1 . 2]" 1
1566 1 82 ARG HA 1 82 ARG QD 4.030 . 4.030 3.071 1.946 4.138 0.108 5 0 "[ . 1 . 2]" 1
1567 2 82 ARG HA 2 82 ARG QD 4.030 . 4.030 3.062 1.915 4.151 0.121 4 0 "[ . 1 . 2]" 1
1568 1 71 ALA MB 2 30 LEU MD2 4.030 . 4.030 3.700 3.615 3.906 . 0 0 "[ . 1 . 2]" 1
1569 1 30 LEU MD2 2 71 ALA MB 4.030 . 4.030 3.697 3.588 3.914 . 0 0 "[ . 1 . 2]" 1
1570 1 19 VAL HB 2 49 THR MG 5.110 . 5.110 5.144 5.076 5.197 0.087 10 0 "[ . 1 . 2]" 1
1571 1 49 THR MG 2 19 VAL HB 5.110 . 5.110 5.144 5.089 5.188 0.078 10 0 "[ . 1 . 2]" 1
1572 1 19 VAL MG1 2 49 THR MG 4.540 . 4.540 4.567 4.497 4.596 0.056 7 0 "[ . 1 . 2]" 1
1573 1 49 THR MG 2 19 VAL MG1 4.540 . 4.540 4.578 4.546 4.605 0.065 9 0 "[ . 1 . 2]" 1
1574 1 46 LEU MD2 2 64 ALA MB 3.720 . 3.720 2.271 2.031 2.781 . 0 0 "[ . 1 . 2]" 1
1575 1 64 ALA MB 2 46 LEU MD2 3.720 . 3.720 2.324 2.101 2.809 . 0 0 "[ . 1 . 2]" 1
1576 1 43 GLN HG2 2 75 ALA MB 4.510 . 4.510 4.451 4.196 4.552 0.042 8 0 "[ . 1 . 2]" 1
1577 1 75 ALA MB 2 43 GLN HG2 4.510 . 4.510 4.440 4.233 4.551 0.041 8 0 "[ . 1 . 2]" 1
1578 1 61 LYS HB2 2 54 VAL MG1 4.150 . 4.150 4.205 4.177 4.239 0.089 2 0 "[ . 1 . 2]" 1
1579 1 54 VAL MG2 2 61 LYS HB2 3.920 . 3.920 2.613 2.564 2.660 . 0 0 "[ . 1 . 2]" 1
1580 1 23 LEU MD1 2 60 LYS QD 3.940 . 3.940 2.605 1.881 3.320 . 0 0 "[ . 1 . 2]" 1
1581 1 19 VAL MG1 2 23 LEU MD2 3.900 . 3.900 2.929 2.806 3.027 . 0 0 "[ . 1 . 2]" 1
1582 1 23 LEU MD1 2 19 VAL MG1 3.900 . 3.900 3.784 3.621 3.924 0.024 3 0 "[ . 1 . 2]" 1
1583 1 20 ARG QD 2 52 VAL MG1 4.400 . 4.400 1.854 1.780 2.185 . 0 0 "[ . 1 . 2]" 1
1584 1 52 VAL MG2 2 20 ARG QD 4.040 . 4.040 3.149 2.842 3.347 . 0 0 "[ . 1 . 2]" 1
1585 1 43 GLN HG2 2 68 LEU MD1 4.000 . 4.000 3.893 3.732 4.011 0.011 20 0 "[ . 1 . 2]" 1
1586 1 68 LEU MD1 2 43 GLN HG2 4.000 . 4.000 3.890 3.747 4.011 0.011 16 0 "[ . 1 . 2]" 1
1587 1 26 ALA MB 2 19 VAL MG2 3.950 . 3.950 3.701 3.448 3.859 . 0 0 "[ . 1 . 2]" 1
1588 1 19 VAL MG2 2 26 ALA MB 3.950 . 3.950 3.708 3.434 3.870 . 0 0 "[ . 1 . 2]" 1
1589 1 45 TRP HH2 2 19 VAL MG2 4.610 . 4.610 3.895 3.571 4.316 . 0 0 "[ . 1 . 2]" 1
1590 1 19 VAL MG2 2 45 TRP HH2 4.610 . 4.610 3.938 3.636 4.326 . 0 0 "[ . 1 . 2]" 1
1591 1 71 ALA MB 2 30 LEU MD1 4.030 . 4.030 2.889 2.626 3.085 . 0 0 "[ . 1 . 2]" 1
1592 1 30 LEU MD1 2 71 ALA MB 4.030 . 4.030 2.880 2.622 3.070 . 0 0 "[ . 1 . 2]" 1
1593 1 23 LEU MD2 2 20 ARG QD 4.520 . 4.520 4.741 4.699 4.787 0.267 16 0 "[ . 1 . 2]" 1
1594 1 19 VAL MG1 2 23 LEU MD1 3.900 . 3.900 3.699 3.495 3.900 . 0 0 "[ . 1 . 2]" 1
1595 1 23 LEU MD2 2 19 VAL MG1 3.700 . 3.700 2.899 2.787 2.983 . 0 0 "[ . 1 . 2]" 1
1596 1 61 LYS HB2 2 54 VAL MG2 4.150 . 4.150 2.605 2.563 2.667 . 0 0 "[ . 1 . 2]" 1
1597 1 54 VAL MG1 2 61 LYS HB2 4.150 . 4.150 4.199 4.181 4.225 0.075 2 0 "[ . 1 . 2]" 1
1598 1 45 TRP HH2 2 19 VAL MG1 5.100 . 5.100 4.342 4.088 4.643 . 0 0 "[ . 1 . 2]" 1
1599 1 19 VAL MG1 2 45 TRP HH2 5.100 . 5.100 4.363 4.122 4.626 . 0 0 "[ . 1 . 2]" 1
1600 1 20 ARG HB3 2 52 VAL HB 5.310 . 5.310 4.859 4.678 5.032 . 0 0 "[ . 1 . 2]" 1
1601 1 52 VAL HB 2 20 ARG HB3 5.310 . 5.310 4.848 4.643 5.025 . 0 0 "[ . 1 . 2]" 1
1602 1 68 LEU MD1 2 46 LEU HB3 4.150 . 4.150 1.987 1.835 2.492 . 0 0 "[ . 1 . 2]" 1
1603 1 46 LEU HB3 2 68 LEU MD1 4.150 . 4.150 2.012 1.826 2.469 . 0 0 "[ . 1 . 2]" 1
1604 1 42 LEU MD1 2 71 ALA HA 3.750 . 3.750 3.814 3.783 3.855 0.105 17 0 "[ . 1 . 2]" 1
1605 1 71 ALA HA 2 42 LEU MD1 3.750 . 3.750 3.818 3.795 3.853 0.103 6 0 "[ . 1 . 2]" 1
1606 1 42 LEU MD2 2 71 ALA HA 4.300 . 4.300 4.069 3.974 4.169 . 0 0 "[ . 1 . 2]" 1
1607 1 71 ALA HA 2 42 LEU MD2 4.300 . 4.300 4.070 3.991 4.143 . 0 0 "[ . 1 . 2]" 1
1608 1 42 LEU MD1 2 68 LEU HA 3.610 . 3.610 3.703 3.658 3.757 0.147 3 0 "[ . 1 . 2]" 1
1609 1 68 LEU HA 2 42 LEU MD1 3.610 . 3.610 3.700 3.657 3.747 0.137 3 0 "[ . 1 . 2]" 1
1610 1 42 LEU MD2 2 68 LEU HA 4.340 . 4.340 3.399 3.159 3.603 . 0 0 "[ . 1 . 2]" 1
1611 1 68 LEU HA 2 42 LEU MD2 4.340 . 4.340 3.404 3.210 3.588 . 0 0 "[ . 1 . 2]" 1
1612 1 16 LEU MD1 2 49 THR HA 4.690 . 4.690 2.410 1.934 3.123 . 0 0 "[ . 1 . 2]" 1
1613 1 49 THR HA 2 16 LEU MD1 4.690 . 4.690 2.422 1.915 3.144 . 0 0 "[ . 1 . 2]" 1
1614 1 16 LEU MD2 2 49 THR HA 4.690 . 4.690 2.866 2.044 3.513 . 0 0 "[ . 1 . 2]" 1
1615 1 49 THR HA 2 16 LEU MD2 4.690 . 4.690 2.853 2.062 3.612 . 0 0 "[ . 1 . 2]" 1
1616 1 3 HIS HA 1 4 MET QB 5.160 . 5.160 4.082 3.807 4.604 . 0 0 "[ . 1 . 2]" 1
1617 1 4 MET HA 1 4 MET QG 3.710 . 3.710 2.757 2.352 3.523 . 0 0 "[ . 1 . 2]" 1
1618 1 4 MET QB 1 5 ALA MB 5.230 . 5.230 4.593 3.878 4.987 . 0 0 "[ . 1 . 2]" 1
1619 1 4 MET QG 1 5 ALA MB 4.060 . 4.060 3.360 2.555 4.067 0.007 13 0 "[ . 1 . 2]" 1
1620 1 5 ALA HA 1 6 SER QB 4.460 . 4.460 4.282 4.021 4.577 0.117 14 0 "[ . 1 . 2]" 1
1621 1 5 ALA MB 1 6 SER QB 4.530 . 4.530 4.339 3.979 4.564 0.034 18 0 "[ . 1 . 2]" 1
1622 1 6 SER HA 1 6 SER QB 2.630 . 2.630 2.359 2.110 2.431 . 0 0 "[ . 1 . 2]" 1
1623 1 7 SER HA 1 10 LYS QG 5.340 . 5.340 5.076 4.272 5.379 0.039 3 0 "[ . 1 . 2]" 1
1624 1 7 SER QB 1 8 ARG HA 4.150 . 4.150 3.874 3.668 4.030 . 0 0 "[ . 1 . 2]" 1
1625 1 7 SER QB 1 8 ARG HB2 5.330 . 5.330 4.617 4.228 5.056 . 0 0 "[ . 1 . 2]" 1
1626 1 7 SER QB 1 8 ARG QG 4.210 . 4.210 3.335 2.663 4.252 0.042 14 0 "[ . 1 . 2]" 1
1627 1 7 SER QB 1 10 LYS QB 4.570 . 4.570 4.326 3.986 4.591 0.021 15 0 "[ . 1 . 2]" 1
1628 1 8 ARG HA 1 8 ARG QG 3.440 . 3.440 2.766 2.278 3.141 . 0 0 "[ . 1 . 2]" 1
1629 1 8 ARG HA 1 11 TYR QB 3.910 . 3.910 2.768 2.095 3.203 . 0 0 "[ . 1 . 2]" 1
1630 1 8 ARG HB2 1 8 ARG QG 2.630 . 2.630 2.194 2.146 2.364 . 0 0 "[ . 1 . 2]" 1
1631 1 10 LYS H 1 10 LYS QG 4.350 . 4.350 3.965 3.874 4.062 . 0 0 "[ . 1 . 2]" 1
1632 1 10 LYS HA 1 10 LYS QG 3.440 . 3.440 2.680 2.289 3.024 . 0 0 "[ . 1 . 2]" 1
1633 1 10 LYS QE 1 10 LYS QG 3.220 . 3.220 2.415 1.956 2.828 . 0 0 "[ . 1 . 2]" 1
1634 1 10 LYS QG 1 11 TYR H 4.720 . 4.720 3.230 2.723 3.581 . 0 0 "[ . 1 . 2]" 1
1635 1 10 LYS QG 1 11 TYR QD 4.690 . 4.690 3.985 3.445 4.452 . 0 0 "[ . 1 . 2]" 1
1636 1 10 LYS QG 1 14 GLU HB2 4.450 . 4.450 3.900 3.590 4.445 . 0 0 "[ . 1 . 2]" 1
1637 1 10 LYS QG 1 14 GLU QG 3.780 . 3.780 2.598 2.187 3.284 . 0 0 "[ . 1 . 2]" 1
1638 1 11 TYR H 1 11 TYR QB 3.470 . 3.470 2.403 2.314 2.459 . 0 0 "[ . 1 . 2]" 1
1639 1 11 TYR H 1 14 GLU QG 5.340 . 5.340 4.705 4.207 5.348 0.008 11 0 "[ . 1 . 2]" 1
1640 1 11 TYR HA 1 14 GLU QG 4.300 . 4.300 3.446 2.786 4.212 . 0 0 "[ . 1 . 2]" 1
1641 1 11 TYR QB 1 12 ALA MB 4.180 . 4.180 3.849 3.712 3.982 . 0 0 "[ . 1 . 2]" 1
1642 1 11 TYR QB 1 14 GLU HB2 5.190 . 5.190 4.377 4.128 4.638 . 0 0 "[ . 1 . 2]" 1
1643 1 13 GLU HA 1 16 LEU QB 3.490 . 3.490 2.501 2.268 2.748 . 0 0 "[ . 1 . 2]" 1
1644 1 13 GLU HA 1 16 LEU QD 3.560 . 3.560 3.119 2.943 3.309 . 0 0 "[ . 1 . 2]" 1
1645 1 13 GLU QG 1 16 LEU QD 3.950 . 3.950 3.559 2.987 4.020 0.070 20 0 "[ . 1 . 2]" 1
1646 1 14 GLU H 1 14 GLU QG 3.830 . 3.830 2.371 2.162 2.577 . 0 0 "[ . 1 . 2]" 1
1647 1 14 GLU HA 1 14 GLU QG 3.270 . 3.270 2.673 2.286 3.014 . 0 0 "[ . 1 . 2]" 1
1648 1 15 GLU HA 1 15 GLU QB 2.640 . 2.640 2.390 2.367 2.420 . 0 0 "[ . 1 . 2]" 1
1649 1 15 GLU QB 1 19 VAL MG2 4.270 . 4.270 3.723 3.532 3.937 . 0 0 "[ . 1 . 2]" 1
1650 1 15 GLU QB 2 26 ALA MB 3.600 . 3.600 2.579 2.071 3.124 . 0 0 "[ . 1 . 2]" 1
1651 1 16 LEU QB 1 17 GLU HA 5.300 . 5.300 3.915 3.606 4.183 . 0 0 "[ . 1 . 2]" 1
1652 1 16 LEU QB 1 17 GLU QB 4.650 . 4.650 4.081 3.475 4.380 . 0 0 "[ . 1 . 2]" 1
1653 1 16 LEU QD 1 17 GLU HA 3.590 . 3.590 3.496 2.951 3.774 0.184 10 0 "[ . 1 . 2]" 1
1654 1 16 LEU QD 1 17 GLU QG 4.480 . 4.480 3.681 2.959 4.503 0.023 5 0 "[ . 1 . 2]" 1
1655 1 16 LEU QD 1 20 ARG QG 4.060 . 4.060 3.454 3.137 3.771 . 0 0 "[ . 1 . 2]" 1
1656 1 16 LEU QD 1 20 ARG QD 3.630 . 3.630 2.118 1.838 2.535 . 0 0 "[ . 1 . 2]" 1
1657 1 16 LEU QD 2 45 TRP HA 3.990 . 3.990 3.565 3.083 3.902 . 0 0 "[ . 1 . 2]" 1
1658 1 16 LEU QD 2 45 TRP HB2 5.110 . 5.110 4.898 4.360 5.162 0.052 6 0 "[ . 1 . 2]" 1
1659 1 16 LEU QD 2 48 LEU HA 4.760 . 4.760 4.129 3.807 4.311 . 0 0 "[ . 1 . 2]" 1
1660 1 16 LEU QD 2 48 LEU HB2 2.700 . 2.700 2.684 2.200 2.820 0.120 1 0 "[ . 1 . 2]" 1
1661 1 16 LEU QD 2 48 LEU HB3 2.710 . 2.710 2.283 2.093 2.481 . 0 0 "[ . 1 . 2]" 1
1662 1 16 LEU QD 2 49 THR HA 3.830 . 3.830 2.062 1.923 2.413 . 0 0 "[ . 1 . 2]" 1
1663 1 16 LEU QD 2 49 THR MG 3.870 . 3.870 2.431 2.089 3.173 . 0 0 "[ . 1 . 2]" 1
1664 1 16 LEU QD 2 53 GLU H 4.480 . 4.480 4.511 4.384 4.604 0.124 9 0 "[ . 1 . 2]" 1
1665 1 17 GLU H 1 17 GLU QB 3.290 . 3.290 2.532 2.288 2.794 . 0 0 "[ . 1 . 2]" 1
1666 1 17 GLU HA 1 20 ARG QG 2.910 . 2.910 2.175 2.034 2.328 . 0 0 "[ . 1 . 2]" 1
1667 1 17 GLU QB 1 20 ARG QG 5.180 . 5.180 3.774 3.549 4.069 . 0 0 "[ . 1 . 2]" 1
1668 1 18 GLN H 1 18 GLN QB 3.410 . 3.410 2.252 2.118 2.301 . 0 0 "[ . 1 . 2]" 1
1669 1 18 GLN H 1 18 GLN QG 4.450 . 4.450 4.019 3.918 4.091 . 0 0 "[ . 1 . 2]" 1
1670 1 18 GLN HA 1 18 GLN QG 3.210 . 3.210 2.758 2.421 3.049 . 0 0 "[ . 1 . 2]" 1
1671 1 18 GLN QB 1 19 VAL H 4.170 . 4.170 2.459 2.055 2.687 . 0 0 "[ . 1 . 2]" 1
1672 1 18 GLN QG 1 19 VAL HA 5.340 . 5.340 3.555 3.243 4.839 . 0 0 "[ . 1 . 2]" 1
1673 1 18 GLN QG 1 22 ALA MB 4.330 . 4.330 3.062 2.833 3.516 . 0 0 "[ . 1 . 2]" 1
1674 1 19 VAL HA 2 23 LEU QD 4.180 . 4.180 4.150 4.048 4.225 0.045 12 0 "[ . 1 . 2]" 1
1675 1 19 VAL HB 2 23 LEU QD 4.140 . 4.140 2.148 2.029 2.242 . 0 0 "[ . 1 . 2]" 1
1676 1 19 VAL MG1 2 23 LEU QD 3.380 . 3.380 2.820 2.732 2.883 . 0 0 "[ . 1 . 2]" 1
1677 1 19 VAL MG2 1 20 ARG QG 4.320 . 4.320 3.370 3.140 3.463 . 0 0 "[ . 1 . 2]" 1
1678 1 19 VAL MG2 2 23 LEU QD 5.440 . 5.440 1.819 1.778 1.882 . 0 0 "[ . 1 . 2]" 1
1679 1 20 ARG HA 1 20 ARG QG 3.460 . 3.460 3.351 3.317 3.404 . 0 0 "[ . 1 . 2]" 1
1680 1 20 ARG HA 1 21 GLU QG 5.340 . 5.340 5.212 4.837 5.356 0.016 14 0 "[ . 1 . 2]" 1
1681 1 20 ARG HA 2 23 LEU QD 3.730 . 3.730 3.642 3.308 3.794 0.064 1 0 "[ . 1 . 2]" 1
1682 1 20 ARG HA 2 52 VAL QG 4.720 . 4.720 4.393 4.092 4.747 0.027 9 0 "[ . 1 . 2]" 1
1683 1 20 ARG HB3 2 52 VAL QG 4.390 . 4.390 2.790 2.425 3.268 . 0 0 "[ . 1 . 2]" 1
1684 1 20 ARG QG 1 21 GLU QB 3.900 . 3.900 3.662 3.253 3.882 . 0 0 "[ . 1 . 2]" 1
1685 1 20 ARG QG 1 21 GLU QG 3.150 . 3.150 2.315 1.843 2.595 . 0 0 "[ . 1 . 2]" 1
1686 1 20 ARG QG 2 23 LEU QD 5.280 . 5.280 4.844 4.693 4.965 . 0 0 "[ . 1 . 2]" 1
1687 1 20 ARG QG 2 52 VAL QG 4.160 . 4.160 3.481 3.337 3.577 . 0 0 "[ . 1 . 2]" 1
1688 1 20 ARG QD 1 21 GLU QG 4.400 . 4.400 4.069 3.725 4.417 0.017 2 0 "[ . 1 . 2]" 1
1689 1 20 ARG QD 2 23 LEU QD 4.490 . 4.490 4.662 4.593 4.692 0.202 13 0 "[ . 1 . 2]" 1
1690 1 20 ARG QD 2 52 VAL QG 3.740 . 3.740 1.840 1.772 2.150 . 0 0 "[ . 1 . 2]" 1
1691 1 21 GLU HA 1 21 GLU QG 2.840 . 2.840 2.769 2.229 2.936 0.096 16 0 "[ . 1 . 2]" 1
1692 1 21 GLU HA 1 24 ARG QD 3.480 . 3.480 2.389 1.930 2.639 . 0 0 "[ . 1 . 2]" 1
1693 1 21 GLU QB 1 24 ARG QD 4.820 . 4.820 4.258 3.651 4.562 . 0 0 "[ . 1 . 2]" 1
1694 1 21 GLU QG 1 24 ARG QD 4.840 . 4.840 4.049 2.434 4.690 . 0 0 "[ . 1 . 2]" 1
1695 1 22 ALA HA 1 25 LYS QB 2.880 . 2.880 2.225 1.887 2.444 . 0 0 "[ . 1 . 2]" 1
1696 1 22 ALA HA 1 25 LYS QG 5.340 . 5.340 3.485 2.752 4.118 . 0 0 "[ . 1 . 2]" 1
1697 1 22 ALA MB 1 25 LYS QB 4.650 . 4.650 3.651 3.368 3.925 . 0 0 "[ . 1 . 2]" 1
1698 1 23 LEU MD1 1 24 ARG QD 5.280 . 5.280 5.315 5.010 5.398 0.118 18 0 "[ . 1 . 2]" 1
1699 1 23 LEU MD2 1 27 GLU QG 5.330 . 5.330 4.833 4.651 4.977 . 0 0 "[ . 1 . 2]" 1
1700 1 23 LEU MD2 2 20 ARG QG 5.340 . 5.340 4.934 4.779 5.051 . 0 0 "[ . 1 . 2]" 1
1701 1 24 ARG HA 1 27 GLU QG 3.600 . 3.600 2.740 2.357 2.999 . 0 0 "[ . 1 . 2]" 1
1702 1 24 ARG HB2 1 24 ARG QD 3.320 . 3.320 2.120 2.016 2.399 . 0 0 "[ . 1 . 2]" 1
1703 1 24 ARG HB3 1 24 ARG QD 3.710 . 3.710 2.973 2.812 3.347 . 0 0 "[ . 1 . 2]" 1
1704 1 24 ARG HG3 1 27 GLU QG 5.200 . 5.200 4.951 4.691 5.202 0.002 17 0 "[ . 1 . 2]" 1
1705 1 24 ARG QD 2 60 LYS QD 4.950 . 4.950 3.144 2.862 3.458 . 0 0 "[ . 1 . 2]" 1
1706 1 25 LYS HA 1 25 LYS QG 3.340 . 3.340 2.871 2.265 3.328 . 0 0 "[ . 1 . 2]" 1
1707 1 26 ALA MB 1 27 GLU QG 3.710 . 3.710 3.372 3.226 3.527 . 0 0 "[ . 1 . 2]" 1
1708 1 27 GLU HA 1 30 LEU QD 4.070 . 4.070 4.116 4.027 4.164 0.094 1 0 "[ . 1 . 2]" 1
1709 1 27 GLU HA 1 46 LEU QD 3.490 . 3.490 3.012 2.882 3.109 . 0 0 "[ . 1 . 2]" 1
1710 1 27 GLU QB 1 30 LEU QD 5.100 . 5.100 4.720 4.608 4.960 . 0 0 "[ . 1 . 2]" 1
1711 1 27 GLU QB 1 46 LEU QD 3.580 . 3.580 3.475 3.371 3.603 0.023 9 0 "[ . 1 . 2]" 1
1712 1 27 GLU QG 1 30 LEU QD 5.280 . 5.280 4.979 4.768 5.202 . 0 0 "[ . 1 . 2]" 1
1713 1 27 GLU QG 1 46 LEU QD 3.980 . 3.980 2.432 2.162 2.778 . 0 0 "[ . 1 . 2]" 1
1714 1 27 GLU QG 1 49 THR HB 5.110 . 5.110 4.931 4.661 5.164 0.054 7 0 "[ . 1 . 2]" 1
1715 1 27 GLU QG 1 49 THR MG 4.140 . 4.140 3.692 3.501 3.904 . 0 0 "[ . 1 . 2]" 1
1716 1 27 GLU QG 2 64 ALA MB 4.820 . 4.820 3.790 3.455 4.430 . 0 0 "[ . 1 . 2]" 1
1717 1 29 GLU HA 1 29 GLU QB 2.530 . 2.530 2.347 2.301 2.370 . 0 0 "[ . 1 . 2]" 1
1718 1 29 GLU QB 1 29 GLU QG 2.440 . 2.440 2.041 2.003 2.133 . 0 0 "[ . 1 . 2]" 1
1719 1 29 GLU QB 1 32 SER QB 5.320 . 5.320 4.461 4.118 4.725 . 0 0 "[ . 1 . 2]" 1
1720 1 29 GLU QG 1 30 LEU QD 4.710 . 4.710 4.066 3.717 4.445 . 0 0 "[ . 1 . 2]" 1
1721 1 29 GLU QG 1 33 HIS QB 4.130 . 4.130 2.675 1.896 4.034 . 0 0 "[ . 1 . 2]" 1
1722 1 30 LEU H 1 30 LEU QD 4.210 . 4.210 3.655 3.585 3.716 . 0 0 "[ . 1 . 2]" 1
1723 1 30 LEU HA 1 30 LEU QD 3.020 . 3.020 2.006 1.894 2.163 . 0 0 "[ . 1 . 2]" 1
1724 1 30 LEU HA 1 33 HIS QB 4.660 . 4.660 2.562 1.942 4.579 . 0 0 "[ . 1 . 2]" 1
1725 1 30 LEU HA 1 46 LEU QD 5.440 . 5.440 4.666 4.513 4.759 . 0 0 "[ . 1 . 2]" 1
1726 1 30 LEU HB2 1 46 LEU QD 5.440 . 5.440 3.002 2.824 3.145 . 0 0 "[ . 1 . 2]" 1
1727 1 30 LEU HG 1 46 LEU QD 3.520 . 3.520 1.905 1.833 1.963 . 0 0 "[ . 1 . 2]" 1
1728 1 30 LEU HG 2 68 LEU QD 3.260 . 3.260 3.090 2.887 3.272 0.012 9 0 "[ . 1 . 2]" 1
1729 1 30 LEU QD 1 33 HIS QB 4.810 . 4.810 3.040 2.129 4.618 . 0 0 "[ . 1 . 2]" 1
1730 1 30 LEU QD 1 33 HIS HD2 4.500 . 4.500 3.219 2.290 4.187 . 0 0 "[ . 1 . 2]" 1
1731 1 30 LEU QD 1 34 SER HA 5.310 . 5.310 3.952 3.810 4.121 . 0 0 "[ . 1 . 2]" 1
1732 1 30 LEU QD 1 37 TYR HA 4.990 . 4.990 4.586 4.481 4.671 . 0 0 "[ . 1 . 2]" 1
1733 1 30 LEU QD 1 37 TYR HB3 5.440 . 5.440 5.563 5.491 5.624 0.184 4 0 "[ . 1 . 2]" 1
1734 1 30 LEU QD 1 37 TYR HE1 5.320 . 5.320 5.243 4.879 5.367 0.047 18 0 "[ . 1 . 2]" 1
1735 1 30 LEU QD 1 38 ALA MB 5.060 . 5.060 3.878 3.529 4.180 . 0 0 "[ . 1 . 2]" 1
1736 1 30 LEU QD 1 42 LEU QB 5.280 . 5.280 2.728 2.550 2.914 . 0 0 "[ . 1 . 2]" 1
1737 1 30 LEU QD 1 45 TRP HB2 5.440 . 5.440 4.586 4.408 4.709 . 0 0 "[ . 1 . 2]" 1
1738 1 30 LEU QD 1 45 TRP HD1 4.000 . 4.000 1.845 1.798 1.878 . 0 0 "[ . 1 . 2]" 1
1739 1 30 LEU QD 1 46 LEU HB2 4.150 . 4.150 2.924 2.128 3.570 . 0 0 "[ . 1 . 2]" 1
1740 1 30 LEU QD 1 46 LEU QD 3.900 . 3.900 2.207 1.958 2.528 . 0 0 "[ . 1 . 2]" 1
1741 1 30 LEU QD 2 67 GLN QB 3.930 . 3.930 2.584 1.940 3.483 . 0 0 "[ . 1 . 2]" 1
1742 1 30 LEU QD 2 68 LEU H 4.770 . 4.770 3.803 3.584 4.287 . 0 0 "[ . 1 . 2]" 1
1743 1 30 LEU QD 2 68 LEU QD 3.430 . 3.430 1.976 1.834 2.168 . 0 0 "[ . 1 . 2]" 1
1744 1 30 LEU QD 2 71 ALA MB 3.470 . 3.470 2.780 2.582 2.933 . 0 0 "[ . 1 . 2]" 1
1745 1 33 HIS HD2 1 42 LEU QB 5.340 . 5.340 2.928 1.943 3.673 . 0 0 "[ . 1 . 2]" 1
1746 1 38 ALA HA 2 79 LYS QG 5.030 . 5.030 4.702 3.996 5.128 0.098 7 0 "[ . 1 . 2]" 1
1747 1 38 ALA MB 1 39 PRO QD 3.200 . 3.200 2.025 1.882 2.206 . 0 0 "[ . 1 . 2]" 1
1748 1 38 ALA MB 1 42 LEU QB 3.910 . 3.910 1.727 1.688 1.809 . 0 0 "[ . 1 . 2]" 1
1749 1 39 PRO HG3 2 79 LYS QG 5.110 . 5.110 3.993 2.879 4.971 . 0 0 "[ . 1 . 2]" 1
1750 1 39 PRO QD 1 42 LEU MD2 5.350 . 5.350 4.798 4.645 4.893 . 0 0 "[ . 1 . 2]" 1
1751 1 39 PRO QD 2 78 ILE MD 5.350 . 5.350 5.261 4.740 5.429 0.079 18 0 "[ . 1 . 2]" 1
1752 1 39 PRO QD 2 79 LYS QD 4.010 . 4.010 3.276 2.025 3.775 . 0 0 "[ . 1 . 2]" 1
1753 1 42 LEU HA 2 68 LEU QD 3.920 . 3.920 3.792 3.724 3.870 . 0 0 "[ . 1 . 2]" 1
1754 1 42 LEU QB 1 45 TRP HD1 5.340 . 5.340 3.830 3.652 4.037 . 0 0 "[ . 1 . 2]" 1
1755 1 42 LEU HG 1 46 LEU QD 4.930 . 4.930 4.469 4.072 4.693 . 0 0 "[ . 1 . 2]" 1
1756 1 42 LEU HG 2 68 LEU QD 3.370 . 3.370 1.971 1.946 2.010 . 0 0 "[ . 1 . 2]" 1
1757 1 43 GLN HA 2 68 LEU QD 3.480 . 3.480 1.942 1.902 1.975 . 0 0 "[ . 1 . 2]" 1
1758 1 43 GLN QB 2 68 LEU QD 3.710 . 3.710 3.111 3.017 3.176 . 0 0 "[ . 1 . 2]" 1
1759 1 44 LYS HA 1 48 LEU QD 3.830 . 3.830 2.869 2.576 3.690 . 0 0 "[ . 1 . 2]" 1
1760 1 44 LYS QD 1 48 LEU QD 2.750 . 2.750 2.508 2.139 2.807 0.057 16 0 "[ . 1 . 2]" 1
1761 1 45 TRP HA 1 48 LEU QD 4.070 . 4.070 3.682 3.423 4.100 0.030 9 0 "[ . 1 . 2]" 1
1762 1 45 TRP HA 2 16 LEU QD 3.990 . 3.990 3.559 2.960 3.996 0.006 13 0 "[ . 1 . 2]" 1
1763 1 45 TRP HB2 2 16 LEU QD 5.110 . 5.110 4.888 4.367 5.173 0.063 13 0 "[ . 1 . 2]" 1
1764 1 45 TRP HB3 1 46 LEU QD 5.440 . 5.440 4.901 4.625 5.084 . 0 0 "[ . 1 . 2]" 1
1765 1 45 TRP HB3 2 68 LEU QD 4.780 . 4.780 3.986 3.726 4.129 . 0 0 "[ . 1 . 2]" 1
1766 1 45 TRP HD1 2 68 LEU QD 3.540 . 3.540 3.413 3.165 3.579 0.039 20 0 "[ . 1 . 2]" 1
1767 1 45 TRP HH2 1 46 LEU QD 4.440 . 4.440 4.274 4.027 4.470 0.030 17 0 "[ . 1 . 2]" 1
1768 1 46 LEU HA 1 46 LEU QD 2.760 . 2.760 1.988 1.894 2.049 . 0 0 "[ . 1 . 2]" 1
1769 1 46 LEU HB2 1 46 LEU QD 2.590 . 2.590 2.167 2.068 2.348 . 0 0 "[ . 1 . 2]" 1
1770 1 46 LEU HB2 2 68 LEU QD 3.800 . 3.800 2.485 1.796 2.853 . 0 0 "[ . 1 . 2]" 1
1771 1 46 LEU HB3 2 68 LEU QD 3.010 . 3.010 1.950 1.761 2.419 . 0 0 "[ . 1 . 2]" 1
1772 1 46 LEU QD 1 47 GLN H 5.440 . 5.440 4.283 4.228 4.358 . 0 0 "[ . 1 . 2]" 1
1773 1 46 LEU QD 1 47 GLN HA 5.020 . 5.020 4.762 4.482 5.013 . 0 0 "[ . 1 . 2]" 1
1774 1 46 LEU QD 1 49 THR HB 4.510 . 4.510 2.021 1.884 2.147 . 0 0 "[ . 1 . 2]" 1
1775 1 46 LEU QD 1 49 THR MG 3.780 . 3.780 2.822 2.722 2.933 . 0 0 "[ . 1 . 2]" 1
1776 1 46 LEU QD 1 50 HIS QB 4.110 . 4.110 3.381 3.160 3.620 . 0 0 "[ . 1 . 2]" 1
1777 1 46 LEU MD1 1 50 HIS HB2 6.270 . 6.270 4.005 3.432 4.695 . 0 0 "[ . 1 . 2]" 1
1778 1 46 LEU QD 2 60 LYS QB 5.120 . 5.120 4.549 4.291 4.713 . 0 0 "[ . 1 . 2]" 1
1779 1 46 LEU QD 2 67 GLN QB 3.280 . 3.280 2.461 2.225 2.722 . 0 0 "[ . 1 . 2]" 1
1780 1 46 LEU QD 2 67 GLN HG2 3.930 . 3.930 3.467 3.203 3.673 . 0 0 "[ . 1 . 2]" 1
1781 1 46 LEU QD 2 68 LEU H 4.040 . 4.040 2.864 2.504 3.230 . 0 0 "[ . 1 . 2]" 1
1782 1 46 LEU QD 2 68 LEU HA 4.660 . 4.660 3.865 3.722 4.049 . 0 0 "[ . 1 . 2]" 1
1783 1 47 GLN H 1 48 LEU QD 5.440 . 5.440 4.204 4.091 4.786 . 0 0 "[ . 1 . 2]" 1
1784 1 47 GLN H 2 68 LEU QD 4.390 . 4.390 2.170 2.093 2.267 . 0 0 "[ . 1 . 2]" 1
1785 1 47 GLN HA 1 50 HIS QB 3.750 . 3.750 2.633 2.312 2.888 . 0 0 "[ . 1 . 2]" 1
1786 1 47 GLN HA 2 68 LEU QD 3.840 . 3.840 3.000 2.863 3.278 . 0 0 "[ . 1 . 2]" 1
1787 1 47 GLN HB2 1 48 LEU QD 4.650 . 4.650 4.229 3.912 4.628 . 0 0 "[ . 1 . 2]" 1
1788 1 47 GLN HB3 1 48 LEU QD 3.260 . 3.260 2.834 2.478 3.285 0.025 14 0 "[ . 1 . 2]" 1
1789 1 47 GLN HB3 2 68 LEU QD 4.160 . 4.160 3.734 3.495 4.056 . 0 0 "[ . 1 . 2]" 1
1790 1 47 GLN QG 1 48 LEU QD 4.330 . 4.330 2.795 2.270 3.142 . 0 0 "[ . 1 . 2]" 1
1791 1 48 LEU H 1 48 LEU QD 4.400 . 4.400 2.397 2.308 2.936 . 0 0 "[ . 1 . 2]" 1
1792 1 48 LEU HA 1 48 LEU QD 2.800 . 2.800 2.302 1.928 2.506 . 0 0 "[ . 1 . 2]" 1
1793 1 48 LEU HA 2 16 LEU QD 4.760 . 4.760 4.130 3.895 4.316 . 0 0 "[ . 1 . 2]" 1
1794 1 48 LEU HB2 1 48 LEU QD 2.530 . 2.530 2.210 2.123 2.475 . 0 0 "[ . 1 . 2]" 1
1795 1 48 LEU HB2 2 16 LEU QD 2.700 . 2.700 2.692 2.239 2.824 0.124 1 0 "[ . 1 . 2]" 1
1796 1 48 LEU HB3 2 16 LEU QD 2.710 . 2.710 2.269 2.046 2.440 . 0 0 "[ . 1 . 2]" 1
1797 1 49 THR HA 2 16 LEU QD 3.830 . 3.830 2.048 1.907 2.271 . 0 0 "[ . 1 . 2]" 1
1798 1 49 THR MG 1 50 HIS QB 5.340 . 5.340 4.505 4.409 4.647 . 0 0 "[ . 1 . 2]" 1
1799 1 49 THR MG 2 16 LEU QD 3.870 . 3.870 2.420 2.089 2.972 . 0 0 "[ . 1 . 2]" 1
1800 1 50 HIS QB 1 54 VAL MG2 4.720 . 4.720 4.147 4.105 4.224 . 0 0 "[ . 1 . 2]" 1
1801 1 51 GLU HA 1 51 GLU QG 3.340 . 3.340 2.654 2.405 3.347 0.007 7 0 "[ . 1 . 2]" 1
1802 1 51 GLU QB 1 52 VAL H 3.840 . 3.840 2.710 2.449 3.545 . 0 0 "[ . 1 . 2]" 1
1803 1 52 VAL MG1 2 20 ARG QG 4.190 . 4.190 3.547 3.422 3.638 . 0 0 "[ . 1 . 2]" 1
1804 1 53 GLU H 2 16 LEU QD 4.480 . 4.480 4.511 4.332 4.593 0.113 10 0 "[ . 1 . 2]" 1
1805 1 54 VAL HB 2 61 LYS QG 5.310 . 5.310 4.724 4.551 4.821 . 0 0 "[ . 1 . 2]" 1
1806 1 54 VAL MG1 2 61 LYS QG 3.840 . 3.840 3.820 3.710 3.863 0.023 8 0 "[ . 1 . 2]" 1
1807 1 55 GLN HA 1 58 ASN QB 3.850 . 3.850 3.208 2.969 3.427 . 0 0 "[ . 1 . 2]" 1
1808 1 57 TYR HA 2 54 VAL QG 5.440 . 5.440 4.346 4.162 4.497 . 0 0 "[ . 1 . 2]" 1
1809 1 57 TYR HB2 2 54 VAL QG 5.020 . 5.020 3.421 3.218 3.641 . 0 0 "[ . 1 . 2]" 1
1810 1 58 ASN HA 1 61 LYS QG 5.340 . 5.340 4.958 4.755 5.106 . 0 0 "[ . 1 . 2]" 1
1811 1 58 ASN QB 1 59 ILE MG 4.190 . 4.190 3.641 3.471 3.808 . 0 0 "[ . 1 . 2]" 1
1812 1 60 LYS QB 2 23 LEU QD 4.210 . 4.210 3.492 3.106 3.953 . 0 0 "[ . 1 . 2]" 1
1813 1 60 LYS QB 2 46 LEU QD 5.120 . 5.120 4.557 4.290 4.734 . 0 0 "[ . 1 . 2]" 1
1814 1 60 LYS QD 2 23 LEU QD 3.920 . 3.920 2.702 1.904 3.416 . 0 0 "[ . 1 . 2]" 1
1815 1 60 LYS QD 2 24 ARG QD 4.950 . 4.950 3.251 2.870 3.627 . 0 0 "[ . 1 . 2]" 1
1816 1 61 LYS HB2 2 54 VAL QG 3.580 . 3.580 2.581 2.541 2.638 . 0 0 "[ . 1 . 2]" 1
1817 1 61 LYS QE 1 61 LYS QG 3.240 . 3.240 2.281 2.255 2.308 . 0 0 "[ . 1 . 2]" 1
1818 1 61 LYS QG 1 65 GLU QB 5.180 . 5.180 4.120 4.039 4.224 . 0 0 "[ . 1 . 2]" 1
1819 1 61 LYS QG 1 65 GLU HG2 5.060 . 5.060 3.946 3.808 4.091 . 0 0 "[ . 1 . 2]" 1
1820 1 61 LYS QG 1 65 GLU HG3 3.750 . 3.750 2.788 2.720 2.873 . 0 0 "[ . 1 . 2]" 1
1821 1 61 LYS QG 2 54 VAL HB 5.310 . 5.310 4.724 4.598 4.862 . 0 0 "[ . 1 . 2]" 1
1822 1 61 LYS QG 2 54 VAL QG 3.820 . 3.820 2.311 2.184 2.448 . 0 0 "[ . 1 . 2]" 1
1823 1 61 LYS HD2 2 54 VAL QG 4.050 . 4.050 2.158 2.086 2.254 . 0 0 "[ . 1 . 2]" 1
1824 1 61 LYS QE 2 54 VAL QG 3.920 . 3.920 1.878 1.780 2.011 . 0 0 "[ . 1 . 2]" 1
1825 1 63 ASN HA 1 66 LYS QG 4.900 . 4.900 4.574 4.015 4.950 0.050 11 0 "[ . 1 . 2]" 1
1826 1 64 ALA HA 1 67 GLN QG 4.580 . 4.580 4.502 4.247 4.632 0.052 4 0 "[ . 1 . 2]" 1
1827 1 64 ALA MB 2 27 GLU QG 4.820 . 4.820 3.846 3.449 4.472 . 0 0 "[ . 1 . 2]" 1
1828 1 65 GLU QB 1 66 LYS H 3.430 . 3.430 2.599 2.474 2.719 . 0 0 "[ . 1 . 2]" 1
1829 1 66 LYS H 1 66 LYS QD 4.520 . 4.520 4.457 3.679 4.596 0.076 20 0 "[ . 1 . 2]" 1
1830 1 66 LYS HA 1 66 LYS QG 3.460 . 3.460 2.797 2.338 3.000 . 0 0 "[ . 1 . 2]" 1
1831 1 66 LYS HA 1 69 LEU QD 3.990 . 3.990 3.230 1.907 4.013 0.023 9 0 "[ . 1 . 2]" 1
1832 1 66 LYS QE 1 66 LYS QG 3.120 . 3.120 2.389 2.282 2.853 . 0 0 "[ . 1 . 2]" 1
1833 1 66 LYS QG 1 70 VAL MG1 4.900 . 4.900 3.303 2.719 4.917 0.017 9 0 "[ . 1 . 2]" 1
1834 1 66 LYS QD 1 70 VAL MG1 4.930 . 4.930 3.334 2.093 4.247 . 0 0 "[ . 1 . 2]" 1
1835 1 66 LYS QE 1 69 LEU QD 3.460 . 3.460 2.593 1.812 3.465 0.005 9 0 "[ . 1 . 2]" 1
1836 1 67 GLN H 1 67 GLN QG 4.310 . 4.310 3.917 3.607 4.094 . 0 0 "[ . 1 . 2]" 1
1837 1 67 GLN HA 1 67 GLN QG 3.290 . 3.290 2.439 2.218 2.713 . 0 0 "[ . 1 . 2]" 1
1838 1 67 GLN QB 2 30 LEU QD 3.930 . 3.930 2.544 1.981 3.447 . 0 0 "[ . 1 . 2]" 1
1839 1 67 GLN QB 2 46 LEU QD 3.280 . 3.280 2.468 2.228 2.778 . 0 0 "[ . 1 . 2]" 1
1840 1 67 GLN QG 1 70 VAL MG1 5.340 . 5.340 5.348 5.182 5.442 0.102 11 0 "[ . 1 . 2]" 1
1841 1 67 GLN QG 1 70 VAL MG2 4.650 . 4.650 3.527 3.308 3.844 . 0 0 "[ . 1 . 2]" 1
1842 1 67 GLN QG 2 30 LEU HB3 4.190 . 4.190 3.492 3.054 3.791 . 0 0 "[ . 1 . 2]" 1
1843 1 67 GLN QG 2 30 LEU HG 4.360 . 4.360 4.128 2.915 4.423 0.063 9 0 "[ . 1 . 2]" 1
1844 1 67 GLN QG 2 31 GLU H 4.780 . 4.780 4.092 3.537 4.609 . 0 0 "[ . 1 . 2]" 1
1845 1 67 GLN QG 2 46 LEU QD 3.860 . 3.860 3.400 3.173 3.615 . 0 0 "[ . 1 . 2]" 1
1846 1 68 LEU H 1 68 LEU QD 4.340 . 4.340 3.256 3.166 3.385 . 0 0 "[ . 1 . 2]" 1
1847 1 68 LEU H 2 30 LEU QD 4.770 . 4.770 3.781 3.588 4.281 . 0 0 "[ . 1 . 2]" 1
1848 1 68 LEU H 2 46 LEU QD 4.040 . 4.040 2.844 2.536 3.247 . 0 0 "[ . 1 . 2]" 1
1849 1 68 LEU HA 1 68 LEU QD 2.530 . 2.530 1.869 1.846 1.898 . 0 0 "[ . 1 . 2]" 1
1850 1 68 LEU HA 2 46 LEU QD 4.660 . 4.660 3.867 3.738 4.062 . 0 0 "[ . 1 . 2]" 1
1851 1 68 LEU HB3 1 68 LEU QD 2.500 . 2.500 2.049 2.028 2.066 . 0 0 "[ . 1 . 2]" 1
1852 1 68 LEU QD 1 71 ALA MB 3.500 . 3.500 2.509 2.379 2.688 . 0 0 "[ . 1 . 2]" 1
1853 1 68 LEU QD 1 72 LYS H 4.660 . 4.660 3.710 3.502 3.918 . 0 0 "[ . 1 . 2]" 1
1854 1 68 LEU QD 1 72 LYS QB 4.420 . 4.420 3.292 3.000 3.649 . 0 0 "[ . 1 . 2]" 1
1855 1 68 LEU QD 2 30 LEU HG 3.260 . 3.260 3.093 2.861 3.278 0.018 9 0 "[ . 1 . 2]" 1
1856 1 68 LEU QD 2 30 LEU QD 3.430 . 3.430 1.973 1.844 2.174 . 0 0 "[ . 1 . 2]" 1
1857 1 68 LEU QD 2 42 LEU HA 3.920 . 3.920 3.788 3.728 3.870 . 0 0 "[ . 1 . 2]" 1
1858 1 68 LEU QD 2 42 LEU HG 3.370 . 3.370 1.973 1.941 2.016 . 0 0 "[ . 1 . 2]" 1
1859 1 68 LEU QD 2 43 GLN HA 3.480 . 3.480 1.946 1.878 2.003 . 0 0 "[ . 1 . 2]" 1
1860 1 68 LEU QD 2 43 GLN QB 3.710 . 3.710 3.112 2.982 3.168 . 0 0 "[ . 1 . 2]" 1
1861 1 68 LEU QD 2 45 TRP HB3 4.780 . 4.780 3.988 3.738 4.116 . 0 0 "[ . 1 . 2]" 1
1862 1 68 LEU QD 2 45 TRP HD1 3.540 . 3.540 3.403 3.205 3.566 0.026 3 0 "[ . 1 . 2]" 1
1863 1 68 LEU QD 2 46 LEU HB2 3.800 . 3.800 2.521 1.851 2.829 . 0 0 "[ . 1 . 2]" 1
1864 1 68 LEU QD 2 46 LEU HB3 3.010 . 3.010 1.926 1.765 2.435 . 0 0 "[ . 1 . 2]" 1
1865 1 68 LEU QD 2 47 GLN H 4.390 . 4.390 2.170 2.093 2.293 . 0 0 "[ . 1 . 2]" 1
1866 1 68 LEU QD 2 47 GLN HA 3.840 . 3.840 2.997 2.845 3.239 . 0 0 "[ . 1 . 2]" 1
1867 1 68 LEU QD 2 47 GLN HB3 4.160 . 4.160 3.759 3.547 3.989 . 0 0 "[ . 1 . 2]" 1
1868 1 69 LEU H 1 69 LEU QD 4.220 . 4.220 3.546 3.270 3.784 . 0 0 "[ . 1 . 2]" 1
1869 1 69 LEU HA 1 69 LEU QD 2.870 . 2.870 2.173 1.958 2.907 0.037 1 0 "[ . 1 . 2]" 1
1870 1 69 LEU HB2 1 69 LEU QD 2.980 . 2.980 2.280 2.103 2.367 . 0 0 "[ . 1 . 2]" 1
1871 1 69 LEU HB3 1 69 LEU QD 3.090 . 3.090 2.268 2.111 2.393 . 0 0 "[ . 1 . 2]" 1
1872 1 71 ALA MB 2 30 LEU QD 3.470 . 3.470 2.788 2.584 2.942 . 0 0 "[ . 1 . 2]" 1
1873 1 74 GLY QA 1 77 LYS QG 5.340 . 5.340 3.654 2.637 4.594 . 0 0 "[ . 1 . 2]" 1
1874 1 77 LYS H 1 77 LYS QG 4.460 . 4.460 3.238 2.073 4.026 . 0 0 "[ . 1 . 2]" 1
1875 1 77 LYS HA 1 77 LYS QG 2.880 . 2.880 2.720 2.426 2.985 0.105 16 0 "[ . 1 . 2]" 1
1876 1 77 LYS QE 1 77 LYS QG 3.270 . 3.270 2.334 2.119 2.423 . 0 0 "[ . 1 . 2]" 1
1877 1 78 ILE MD 1 79 LYS QG 4.570 . 4.570 3.415 2.609 4.377 . 0 0 "[ . 1 . 2]" 1
1878 1 78 ILE MD 2 39 PRO QD 5.350 . 5.350 5.273 4.828 5.407 0.057 11 0 "[ . 1 . 2]" 1
1879 1 79 LYS H 1 79 LYS QG 4.050 . 4.050 3.437 2.981 3.889 . 0 0 "[ . 1 . 2]" 1
1880 1 79 LYS HA 1 79 LYS QG 3.270 . 3.270 2.334 2.177 2.515 . 0 0 "[ . 1 . 2]" 1
1881 1 79 LYS QG 2 38 ALA HA 5.030 . 5.030 4.735 4.004 5.142 0.112 3 0 "[ . 1 . 2]" 1
1882 1 79 LYS QG 2 39 PRO HG3 5.110 . 5.110 4.079 2.780 5.142 0.032 3 0 "[ . 1 . 2]" 1
1883 1 79 LYS QD 2 39 PRO QD 4.010 . 4.010 3.235 1.988 3.760 . 0 0 "[ . 1 . 2]" 1
1884 1 80 LYS H 1 80 LYS QB 3.690 . 3.690 2.524 2.225 2.859 . 0 0 "[ . 1 . 2]" 1
1885 2 3 HIS HA 2 4 MET QB 5.160 . 5.160 4.092 3.770 4.424 . 0 0 "[ . 1 . 2]" 1
1886 2 4 MET HA 2 4 MET QG 3.710 . 3.710 2.766 2.306 3.369 . 0 0 "[ . 1 . 2]" 1
1887 2 4 MET QB 2 5 ALA MB 5.230 . 5.230 4.481 3.249 5.004 . 0 0 "[ . 1 . 2]" 1
1888 2 4 MET QG 2 5 ALA MB 4.060 . 4.060 3.385 2.548 4.068 0.008 15 0 "[ . 1 . 2]" 1
1889 2 5 ALA HA 2 6 SER QB 4.460 . 4.460 4.307 4.036 4.577 0.117 14 0 "[ . 1 . 2]" 1
1890 2 5 ALA MB 2 6 SER QB 4.530 . 4.530 4.335 3.949 4.552 0.022 18 0 "[ . 1 . 2]" 1
1891 2 6 SER HA 2 6 SER QB 2.630 . 2.630 2.349 2.103 2.428 . 0 0 "[ . 1 . 2]" 1
1892 2 7 SER HA 2 10 LYS QG 5.340 . 5.340 5.070 4.371 5.383 0.043 3 0 "[ . 1 . 2]" 1
1893 2 7 SER QB 2 8 ARG HA 4.150 . 4.150 3.867 3.660 4.030 . 0 0 "[ . 1 . 2]" 1
1894 2 7 SER QB 2 8 ARG HB2 5.330 . 5.330 4.602 4.217 4.955 . 0 0 "[ . 1 . 2]" 1
1895 2 7 SER QB 2 8 ARG QG 4.210 . 4.210 3.304 2.534 4.252 0.042 14 0 "[ . 1 . 2]" 1
1896 2 7 SER QB 2 10 LYS QB 4.570 . 4.570 4.331 3.988 4.587 0.017 15 0 "[ . 1 . 2]" 1
1897 2 8 ARG HA 2 8 ARG QG 3.440 . 3.440 2.760 2.279 3.137 . 0 0 "[ . 1 . 2]" 1
1898 2 8 ARG HA 2 11 TYR QB 3.910 . 3.910 2.757 2.101 3.178 . 0 0 "[ . 1 . 2]" 1
1899 2 8 ARG HB2 2 8 ARG QG 2.630 . 2.630 2.195 2.145 2.364 . 0 0 "[ . 1 . 2]" 1
1900 2 10 LYS H 2 10 LYS QG 4.350 . 4.350 3.964 3.872 4.057 . 0 0 "[ . 1 . 2]" 1
1901 2 10 LYS HA 2 10 LYS QG 3.440 . 3.440 2.685 2.289 3.014 . 0 0 "[ . 1 . 2]" 1
1902 2 10 LYS QE 2 10 LYS QG 3.220 . 3.220 2.421 1.989 2.816 . 0 0 "[ . 1 . 2]" 1
1903 2 10 LYS QG 2 11 TYR H 4.720 . 4.720 3.221 2.725 3.564 . 0 0 "[ . 1 . 2]" 1
1904 2 10 LYS QG 2 11 TYR QD 4.690 . 4.690 3.977 3.439 4.429 . 0 0 "[ . 1 . 2]" 1
1905 2 10 LYS QG 2 14 GLU HB2 4.450 . 4.450 3.888 3.558 4.387 . 0 0 "[ . 1 . 2]" 1
1906 2 10 LYS QG 2 14 GLU QG 3.780 . 3.780 2.617 2.117 3.432 . 0 0 "[ . 1 . 2]" 1
1907 2 11 TYR H 2 11 TYR QB 3.470 . 3.470 2.396 2.318 2.470 . 0 0 "[ . 1 . 2]" 1
1908 2 11 TYR H 2 14 GLU QG 5.340 . 5.340 4.726 4.307 5.364 0.024 9 0 "[ . 1 . 2]" 1
1909 2 11 TYR HA 2 14 GLU QG 4.300 . 4.300 3.481 2.884 4.298 . 0 0 "[ . 1 . 2]" 1
1910 2 11 TYR QB 2 12 ALA MB 4.180 . 4.180 3.854 3.709 4.030 . 0 0 "[ . 1 . 2]" 1
1911 2 11 TYR QB 2 14 GLU HB2 5.190 . 5.190 4.385 4.108 4.648 . 0 0 "[ . 1 . 2]" 1
1912 2 13 GLU HA 2 16 LEU QB 3.490 . 3.490 2.487 2.252 2.734 . 0 0 "[ . 1 . 2]" 1
1913 2 13 GLU HA 2 16 LEU QD 3.560 . 3.560 3.119 2.911 3.326 . 0 0 "[ . 1 . 2]" 1
1914 2 13 GLU QG 2 16 LEU QD 3.950 . 3.950 3.534 2.812 3.981 0.031 1 0 "[ . 1 . 2]" 1
1915 2 14 GLU H 2 14 GLU QG 3.830 . 3.830 2.345 2.159 2.596 . 0 0 "[ . 1 . 2]" 1
1916 2 14 GLU HA 2 14 GLU QG 3.270 . 3.270 2.665 2.212 2.940 . 0 0 "[ . 1 . 2]" 1
1917 2 16 LEU QB 2 17 GLU HA 5.300 . 5.300 3.893 3.625 4.156 . 0 0 "[ . 1 . 2]" 1
1918 2 16 LEU QB 2 17 GLU QB 4.650 . 4.650 4.059 3.542 4.384 . 0 0 "[ . 1 . 2]" 1
1919 2 16 LEU QD 2 17 GLU HA 3.590 . 3.590 3.522 3.129 3.764 0.174 1 0 "[ . 1 . 2]" 1
1920 2 16 LEU QD 2 17 GLU QG 4.480 . 4.480 3.690 2.928 4.606 0.126 13 0 "[ . 1 . 2]" 1
1921 2 16 LEU QD 2 20 ARG QG 4.060 . 4.060 3.472 3.100 3.988 . 0 0 "[ . 1 . 2]" 1
1922 2 16 LEU QD 2 20 ARG QD 3.630 . 3.630 2.134 1.885 2.706 . 0 0 "[ . 1 . 2]" 1
1923 2 17 GLU H 2 17 GLU QB 3.290 . 3.290 2.522 2.243 2.809 . 0 0 "[ . 1 . 2]" 1
1924 2 17 GLU HA 2 20 ARG QG 2.910 . 2.910 2.203 2.055 2.359 . 0 0 "[ . 1 . 2]" 1
1925 2 17 GLU QB 2 20 ARG QG 5.180 . 5.180 3.803 3.562 4.175 . 0 0 "[ . 1 . 2]" 1
1926 2 18 GLN H 2 18 GLN QB 3.410 . 3.410 2.255 2.183 2.313 . 0 0 "[ . 1 . 2]" 1
1927 2 18 GLN H 2 18 GLN QG 4.450 . 4.450 4.021 3.953 4.076 . 0 0 "[ . 1 . 2]" 1
1928 2 18 GLN HA 2 18 GLN QG 3.210 . 3.210 2.765 2.390 3.049 . 0 0 "[ . 1 . 2]" 1
1929 2 18 GLN QB 2 19 VAL H 4.170 . 4.170 2.459 2.143 2.681 . 0 0 "[ . 1 . 2]" 1
1930 2 18 GLN QG 2 19 VAL HA 5.340 . 5.340 3.548 3.214 4.773 . 0 0 "[ . 1 . 2]" 1
1931 2 18 GLN QG 2 22 ALA MB 4.330 . 4.330 3.065 2.788 3.446 . 0 0 "[ . 1 . 2]" 1
1932 2 19 VAL MG2 2 20 ARG QG 4.320 . 4.320 3.352 3.119 3.443 . 0 0 "[ . 1 . 2]" 1
1933 2 20 ARG HA 2 20 ARG QG 3.460 . 3.460 3.341 3.311 3.386 . 0 0 "[ . 1 . 2]" 1
1934 2 20 ARG HA 2 21 GLU QG 5.340 . 5.340 5.214 4.901 5.374 0.034 2 0 "[ . 1 . 2]" 1
1935 2 20 ARG QG 2 21 GLU QB 3.900 . 3.900 3.653 3.262 3.883 . 0 0 "[ . 1 . 2]" 1
1936 2 20 ARG QG 2 21 GLU QG 3.150 . 3.150 2.309 1.906 2.596 . 0 0 "[ . 1 . 2]" 1
1937 2 20 ARG QD 2 21 GLU QG 4.400 . 4.400 4.056 3.771 4.435 0.035 2 0 "[ . 1 . 2]" 1
1938 2 21 GLU HA 2 21 GLU QG 2.840 . 2.840 2.771 2.224 2.947 0.107 16 0 "[ . 1 . 2]" 1
1939 2 21 GLU HA 2 24 ARG QD 3.480 . 3.480 2.368 1.940 2.640 . 0 0 "[ . 1 . 2]" 1
1940 2 21 GLU QB 2 24 ARG QD 4.820 . 4.820 4.212 3.654 4.567 . 0 0 "[ . 1 . 2]" 1
1941 2 21 GLU QG 2 24 ARG QD 4.840 . 4.840 4.002 2.441 4.651 . 0 0 "[ . 1 . 2]" 1
1942 2 22 ALA HA 2 25 LYS QB 2.880 . 2.880 2.220 1.893 2.426 . 0 0 "[ . 1 . 2]" 1
1943 2 22 ALA HA 2 25 LYS QG 5.340 . 5.340 3.415 2.646 4.116 . 0 0 "[ . 1 . 2]" 1
1944 2 22 ALA MB 2 23 LEU QD 4.490 . 4.490 4.261 4.133 4.350 . 0 0 "[ . 1 . 2]" 1
1945 2 22 ALA MB 2 25 LYS QB 4.650 . 4.650 3.645 3.353 3.919 . 0 0 "[ . 1 . 2]" 1
1946 2 23 LEU H 2 23 LEU QD 4.180 . 4.180 3.586 3.532 3.648 . 0 0 "[ . 1 . 2]" 1
1947 2 23 LEU HA 2 23 LEU QD 2.900 . 2.900 2.143 2.077 2.223 . 0 0 "[ . 1 . 2]" 1
1948 2 23 LEU HB3 2 23 LEU QD 2.780 . 2.780 2.521 2.461 2.566 . 0 0 "[ . 1 . 2]" 1
1949 2 23 LEU QD 2 24 ARG H 4.840 . 4.840 3.648 3.572 3.763 . 0 0 "[ . 1 . 2]" 1
1950 2 23 LEU QD 2 24 ARG HA 4.250 . 4.250 3.519 3.421 3.646 . 0 0 "[ . 1 . 2]" 1
1951 2 23 LEU QD 2 24 ARG HG3 5.440 . 5.440 4.126 4.008 4.216 . 0 0 "[ . 1 . 2]" 1
1952 2 23 LEU QD 2 24 ARG QD 5.220 . 5.220 5.196 4.761 5.301 0.081 18 0 "[ . 1 . 2]" 1
1953 2 23 LEU QD 2 26 ALA MB 3.380 . 3.380 3.107 3.008 3.213 . 0 0 "[ . 1 . 2]" 1
1954 2 23 LEU QD 2 27 GLU HA 5.440 . 5.440 4.957 4.834 5.029 . 0 0 "[ . 1 . 2]" 1
1955 2 23 LEU QD 2 27 GLU QG 3.770 . 3.770 2.609 2.504 2.674 . 0 0 "[ . 1 . 2]" 1
1956 2 23 LEU QD 2 45 TRP HZ3 5.440 . 5.440 4.922 4.737 5.146 . 0 0 "[ . 1 . 2]" 1
1957 2 23 LEU QD 2 45 TRP HH2 4.250 . 4.250 3.793 3.542 4.107 . 0 0 "[ . 1 . 2]" 1
1958 2 23 LEU QD 2 49 THR HA 4.490 . 4.490 4.312 4.163 4.428 . 0 0 "[ . 1 . 2]" 1
1959 2 23 LEU QD 2 49 THR HB 4.340 . 4.340 4.106 3.989 4.211 . 0 0 "[ . 1 . 2]" 1
1960 2 23 LEU QD 2 52 VAL HB 5.440 . 5.440 5.080 4.729 5.405 . 0 0 "[ . 1 . 2]" 1
1961 2 23 LEU QD 2 53 GLU QB 3.930 . 3.930 2.716 2.628 2.775 . 0 0 "[ . 1 . 2]" 1
1962 2 23 LEU QD 2 53 GLU QG 5.280 . 5.280 3.829 3.710 3.941 . 0 0 "[ . 1 . 2]" 1
1963 2 24 ARG HA 2 27 GLU QG 3.600 . 3.600 2.765 2.369 3.071 . 0 0 "[ . 1 . 2]" 1
1964 2 24 ARG HB2 2 24 ARG QD 3.320 . 3.320 2.118 2.016 2.382 . 0 0 "[ . 1 . 2]" 1
1965 2 24 ARG HB3 2 24 ARG QD 3.710 . 3.710 2.966 2.809 3.348 . 0 0 "[ . 1 . 2]" 1
1966 2 24 ARG HG3 2 27 GLU QG 5.200 . 5.200 5.015 4.744 5.222 0.022 15 0 "[ . 1 . 2]" 1
1967 2 25 LYS HA 2 25 LYS QG 3.340 . 3.340 2.875 2.271 3.328 . 0 0 "[ . 1 . 2]" 1
1968 2 26 ALA MB 2 27 GLU QG 3.710 . 3.710 3.358 3.146 3.581 . 0 0 "[ . 1 . 2]" 1
1969 2 27 GLU HA 2 30 LEU QD 4.070 . 4.070 4.119 4.050 4.179 0.109 5 0 "[ . 1 . 2]" 1
1970 2 27 GLU HA 2 46 LEU QD 3.490 . 3.490 3.008 2.882 3.133 . 0 0 "[ . 1 . 2]" 1
1971 2 27 GLU QB 2 30 LEU QD 5.100 . 5.100 4.712 4.581 4.954 . 0 0 "[ . 1 . 2]" 1
1972 2 27 GLU QB 2 46 LEU QD 3.580 . 3.580 3.473 3.373 3.615 0.035 9 0 "[ . 1 . 2]" 1
1973 2 27 GLU QG 2 30 LEU QD 5.280 . 5.280 5.004 4.836 5.189 . 0 0 "[ . 1 . 2]" 1
1974 2 27 GLU QG 2 46 LEU QD 3.980 . 3.980 2.451 2.151 2.834 . 0 0 "[ . 1 . 2]" 1
1975 2 27 GLU QG 2 49 THR HB 5.110 . 5.110 4.937 4.684 5.179 0.069 7 0 "[ . 1 . 2]" 1
1976 2 27 GLU QG 2 49 THR MG 4.140 . 4.140 3.701 3.474 3.926 . 0 0 "[ . 1 . 2]" 1
1977 2 29 GLU HA 2 29 GLU QB 2.530 . 2.530 2.345 2.297 2.373 . 0 0 "[ . 1 . 2]" 1
1978 2 29 GLU QB 2 29 GLU QG 2.440 . 2.440 2.041 2.000 2.130 . 0 0 "[ . 1 . 2]" 1
1979 2 29 GLU QB 2 32 SER QB 5.320 . 5.320 4.466 4.060 4.719 . 0 0 "[ . 1 . 2]" 1
1980 2 29 GLU QG 2 30 LEU QD 4.710 . 4.710 4.047 3.690 4.416 . 0 0 "[ . 1 . 2]" 1
1981 2 29 GLU QG 2 33 HIS QB 4.130 . 4.130 2.674 1.912 4.075 . 0 0 "[ . 1 . 2]" 1
1982 2 30 LEU H 2 30 LEU QD 4.210 . 4.210 3.657 3.577 3.715 . 0 0 "[ . 1 . 2]" 1
1983 2 30 LEU HA 2 30 LEU QD 3.020 . 3.020 2.004 1.937 2.131 . 0 0 "[ . 1 . 2]" 1
1984 2 30 LEU HA 2 33 HIS QB 4.660 . 4.660 2.549 1.938 4.608 . 0 0 "[ . 1 . 2]" 1
1985 2 30 LEU HA 2 46 LEU QD 5.440 . 5.440 4.669 4.547 4.785 . 0 0 "[ . 1 . 2]" 1
1986 2 30 LEU HB2 2 46 LEU QD 5.440 . 5.440 2.998 2.848 3.128 . 0 0 "[ . 1 . 2]" 1
1987 2 30 LEU HG 2 46 LEU QD 3.520 . 3.520 1.913 1.828 1.968 . 0 0 "[ . 1 . 2]" 1
1988 2 30 LEU QD 2 33 HIS QB 4.810 . 4.810 3.035 2.184 4.650 . 0 0 "[ . 1 . 2]" 1
1989 2 30 LEU QD 2 33 HIS HD2 4.500 . 4.500 3.217 2.252 4.185 . 0 0 "[ . 1 . 2]" 1
1990 2 30 LEU QD 2 34 SER HA 5.310 . 5.310 3.957 3.839 4.104 . 0 0 "[ . 1 . 2]" 1
1991 2 30 LEU QD 2 37 TYR HA 4.990 . 4.990 4.588 4.507 4.656 . 0 0 "[ . 1 . 2]" 1
1992 2 30 LEU QD 2 37 TYR HB3 5.440 . 5.440 5.563 5.483 5.610 0.170 16 0 "[ . 1 . 2]" 1
1993 2 30 LEU QD 2 37 TYR HE1 5.320 . 5.320 5.219 4.763 5.369 0.049 5 0 "[ . 1 . 2]" 1
1994 2 30 LEU QD 2 38 ALA MB 5.060 . 5.060 3.862 3.511 4.174 . 0 0 "[ . 1 . 2]" 1
1995 2 30 LEU QD 2 42 LEU QB 5.280 . 5.280 2.704 2.567 2.900 . 0 0 "[ . 1 . 2]" 1
1996 2 30 LEU QD 2 45 TRP HB2 5.440 . 5.440 4.582 4.381 4.708 . 0 0 "[ . 1 . 2]" 1
1997 2 30 LEU QD 2 45 TRP HD1 4.000 . 4.000 1.844 1.779 1.919 . 0 0 "[ . 1 . 2]" 1
1998 2 30 LEU QD 2 46 LEU HB2 4.150 . 4.150 2.928 2.028 3.605 . 0 0 "[ . 1 . 2]" 1
1999 2 30 LEU QD 2 46 LEU QD 3.900 . 3.900 2.225 1.970 2.588 . 0 0 "[ . 1 . 2]" 1
2000 2 33 HIS HD2 2 42 LEU QB 5.340 . 5.340 2.924 1.902 3.726 . 0 0 "[ . 1 . 2]" 1
2001 2 38 ALA MB 2 39 PRO QD 3.200 . 3.200 2.032 1.878 2.233 . 0 0 "[ . 1 . 2]" 1
2002 2 38 ALA MB 2 42 LEU QB 3.910 . 3.910 1.737 1.695 1.822 . 0 0 "[ . 1 . 2]" 1
2003 2 39 PRO QD 2 42 LEU MD2 5.350 . 5.350 4.798 4.675 4.888 . 0 0 "[ . 1 . 2]" 1
2004 2 42 LEU QB 2 45 TRP HD1 5.340 . 5.340 3.804 3.624 3.945 . 0 0 "[ . 1 . 2]" 1
2005 2 42 LEU HG 2 46 LEU QD 4.930 . 4.930 4.478 4.084 4.680 . 0 0 "[ . 1 . 2]" 1
2006 2 44 LYS HA 2 48 LEU QD 3.830 . 3.830 2.869 2.607 3.715 . 0 0 "[ . 1 . 2]" 1
2007 2 44 LYS QD 2 48 LEU QD 2.750 . 2.750 2.509 2.094 2.809 0.059 4 0 "[ . 1 . 2]" 1
2008 2 45 TRP HA 2 48 LEU QD 4.070 . 4.070 3.688 3.440 4.101 0.031 9 0 "[ . 1 . 2]" 1
2009 2 45 TRP HB3 2 46 LEU QD 5.440 . 5.440 4.895 4.622 5.091 . 0 0 "[ . 1 . 2]" 1
2010 2 45 TRP HH2 2 46 LEU QD 4.440 . 4.440 4.275 4.054 4.465 0.025 20 0 "[ . 1 . 2]" 1
2011 2 46 LEU HA 2 46 LEU QD 2.760 . 2.760 1.994 1.891 2.122 . 0 0 "[ . 1 . 2]" 1
2012 2 46 LEU HB2 2 46 LEU QD 2.590 . 2.590 2.155 2.071 2.360 . 0 0 "[ . 1 . 2]" 1
2013 2 46 LEU QD 2 47 GLN H 5.440 . 5.440 4.285 4.228 4.370 . 0 0 "[ . 1 . 2]" 1
2014 2 46 LEU QD 2 47 GLN HA 5.020 . 5.020 4.776 4.495 5.010 . 0 0 "[ . 1 . 2]" 1
2015 2 46 LEU QD 2 49 THR HB 4.510 . 4.510 2.036 1.887 2.180 . 0 0 "[ . 1 . 2]" 1
2016 2 46 LEU QD 2 49 THR MG 3.780 . 3.780 2.832 2.737 2.920 . 0 0 "[ . 1 . 2]" 1
2017 2 46 LEU QD 2 50 HIS QB 4.110 . 4.110 3.396 3.124 3.683 . 0 0 "[ . 1 . 2]" 1
2018 2 46 LEU MD1 2 50 HIS HB2 6.270 . 6.270 3.980 3.337 4.684 . 0 0 "[ . 1 . 2]" 1
2019 2 47 GLN H 2 48 LEU QD 5.440 . 5.440 4.200 4.094 4.803 . 0 0 "[ . 1 . 2]" 1
2020 2 47 GLN HA 2 50 HIS QB 3.750 . 3.750 2.666 2.343 2.947 . 0 0 "[ . 1 . 2]" 1
2021 2 47 GLN HB2 2 48 LEU QD 4.650 . 4.650 4.199 3.938 4.652 0.002 14 0 "[ . 1 . 2]" 1
2022 2 47 GLN HB3 2 48 LEU QD 3.260 . 3.260 2.799 2.515 3.301 0.041 14 0 "[ . 1 . 2]" 1
2023 2 47 GLN QG 2 48 LEU QD 4.330 . 4.330 2.818 2.523 3.204 . 0 0 "[ . 1 . 2]" 1
2024 2 48 LEU H 2 48 LEU QD 4.400 . 4.400 2.400 2.321 2.955 . 0 0 "[ . 1 . 2]" 1
2025 2 48 LEU HA 2 48 LEU QD 2.800 . 2.800 2.310 1.919 2.521 . 0 0 "[ . 1 . 2]" 1
2026 2 48 LEU HB2 2 48 LEU QD 2.530 . 2.530 2.207 2.138 2.481 . 0 0 "[ . 1 . 2]" 1
2027 2 49 THR MG 2 50 HIS QB 5.340 . 5.340 4.503 4.392 4.634 . 0 0 "[ . 1 . 2]" 1
2028 2 49 THR MG 2 53 GLU QG 4.410 . 4.410 3.469 3.242 3.690 . 0 0 "[ . 1 . 2]" 1
2029 2 50 HIS HA 2 53 GLU QG 4.720 . 4.720 2.010 1.974 2.032 . 0 0 "[ . 1 . 2]" 1
2030 2 50 HIS HA 2 54 VAL QG 4.360 . 4.360 3.239 3.068 3.332 . 0 0 "[ . 1 . 2]" 1
2031 2 50 HIS QB 2 54 VAL QG 4.670 . 4.670 4.100 4.031 4.168 . 0 0 "[ . 1 . 2]" 1
2032 2 50 HIS HD2 2 54 VAL QG 4.150 . 4.150 2.810 2.408 3.046 . 0 0 "[ . 1 . 2]" 1
2033 2 51 GLU HA 2 51 GLU QG 3.340 . 3.340 2.651 2.394 3.348 0.008 1 0 "[ . 1 . 2]" 1
2034 2 51 GLU HA 2 54 VAL QG 3.610 . 3.610 3.513 3.357 3.633 0.023 18 0 "[ . 1 . 2]" 1
2035 2 51 GLU QB 2 52 VAL H 3.840 . 3.840 2.676 2.434 3.507 . 0 0 "[ . 1 . 2]" 1
2036 2 52 VAL H 2 52 VAL QG 4.010 . 4.010 2.429 2.344 2.516 . 0 0 "[ . 1 . 2]" 1
2037 2 52 VAL H 2 53 GLU QG 5.340 . 5.340 4.233 4.167 4.303 . 0 0 "[ . 1 . 2]" 1
2038 2 52 VAL H 2 54 VAL QG 4.790 . 4.790 4.845 4.827 4.863 0.073 20 0 "[ . 1 . 2]" 1
2039 2 52 VAL HA 2 52 VAL QG 2.770 . 2.770 2.127 2.104 2.142 . 0 0 "[ . 1 . 2]" 1
2040 2 52 VAL QG 2 55 GLN QG 5.410 . 5.410 4.357 4.099 4.519 . 0 0 "[ . 1 . 2]" 1
2041 2 52 VAL QG 2 56 TYR HB2 4.460 . 4.460 3.162 3.032 3.277 . 0 0 "[ . 1 . 2]" 1
2042 2 52 VAL QG 2 56 TYR HB3 5.400 . 5.400 4.315 4.196 4.395 . 0 0 "[ . 1 . 2]" 1
2043 2 52 VAL QG 2 56 TYR QE 4.620 . 4.620 2.300 2.066 2.736 . 0 0 "[ . 1 . 2]" 1
2044 2 52 VAL QG 2 56 TYR QD 5.440 . 5.440 2.004 1.901 2.098 . 0 0 "[ . 1 . 2]" 1
2045 2 52 VAL QG 2 60 LYS QE 5.440 . 5.440 4.957 4.871 5.076 . 0 0 "[ . 1 . 2]" 1
2046 2 53 GLU HA 2 53 GLU QG 3.630 . 3.630 3.364 3.356 3.372 . 0 0 "[ . 1 . 2]" 1
2047 2 53 GLU QG 2 54 VAL H 3.240 . 3.240 2.389 2.298 2.453 . 0 0 "[ . 1 . 2]" 1
2048 2 53 GLU QG 2 54 VAL HA 5.340 . 5.340 3.333 3.199 3.425 . 0 0 "[ . 1 . 2]" 1
2049 2 53 GLU QG 2 54 VAL QG 3.440 . 3.440 2.180 2.096 2.252 . 0 0 "[ . 1 . 2]" 1
2050 2 54 VAL H 2 54 VAL QG 3.770 . 3.770 2.103 2.067 2.138 . 0 0 "[ . 1 . 2]" 1
2051 2 54 VAL HA 2 54 VAL QG 2.820 . 2.820 2.137 2.120 2.151 . 0 0 "[ . 1 . 2]" 1
2052 2 54 VAL QG 2 55 GLN H 4.600 . 4.600 3.283 3.220 3.333 . 0 0 "[ . 1 . 2]" 1
2053 2 54 VAL QG 2 57 TYR HB3 3.800 . 3.800 3.639 3.536 3.736 . 0 0 "[ . 1 . 2]" 1
2054 2 55 GLN HA 2 58 ASN QB 3.850 . 3.850 3.195 2.988 3.406 . 0 0 "[ . 1 . 2]" 1
2055 2 58 ASN HA 2 61 LYS QG 5.340 . 5.340 4.978 4.857 5.087 . 0 0 "[ . 1 . 2]" 1
2056 2 58 ASN QB 2 59 ILE MG 4.190 . 4.190 3.596 3.440 3.747 . 0 0 "[ . 1 . 2]" 1
2057 2 61 LYS QE 2 61 LYS QG 3.240 . 3.240 2.279 2.242 2.311 . 0 0 "[ . 1 . 2]" 1
2058 2 61 LYS QG 2 65 GLU QB 5.180 . 5.180 4.119 4.066 4.177 . 0 0 "[ . 1 . 2]" 1
2059 2 61 LYS QG 2 65 GLU HG2 5.060 . 5.060 3.951 3.846 4.093 . 0 0 "[ . 1 . 2]" 1
2060 2 61 LYS QG 2 65 GLU HG3 3.750 . 3.750 2.785 2.733 2.866 . 0 0 "[ . 1 . 2]" 1
2061 2 63 ASN HA 2 66 LYS QG 4.900 . 4.900 4.581 4.072 4.948 0.048 1 0 "[ . 1 . 2]" 1
2062 2 65 GLU QB 2 66 LYS H 3.430 . 3.430 2.593 2.474 2.738 . 0 0 "[ . 1 . 2]" 1
2063 2 66 LYS H 2 66 LYS QD 4.520 . 4.520 4.475 3.988 4.590 0.070 20 0 "[ . 1 . 2]" 1
2064 2 66 LYS HA 2 66 LYS QG 3.460 . 3.460 2.812 2.354 3.285 . 0 0 "[ . 1 . 2]" 1
2065 2 66 LYS HA 2 69 LEU QD 3.990 . 3.990 3.237 1.957 4.007 0.017 9 0 "[ . 1 . 2]" 1
2066 2 66 LYS QE 2 66 LYS QG 3.120 . 3.120 2.388 2.287 2.882 . 0 0 "[ . 1 . 2]" 1
2067 2 66 LYS QG 2 70 VAL MG1 4.900 . 4.900 3.201 2.641 4.881 . 0 0 "[ . 1 . 2]" 1
2068 2 66 LYS QD 2 70 VAL MG1 4.930 . 4.930 3.219 1.917 3.976 . 0 0 "[ . 1 . 2]" 1
2069 2 66 LYS QE 2 69 LEU QD 3.460 . 3.460 2.599 1.814 3.473 0.013 9 0 "[ . 1 . 2]" 1
2070 2 68 LEU H 2 68 LEU QD 4.340 . 4.340 3.257 3.137 3.398 . 0 0 "[ . 1 . 2]" 1
2071 2 68 LEU HA 2 68 LEU QD 2.530 . 2.530 1.867 1.850 1.921 . 0 0 "[ . 1 . 2]" 1
2072 2 68 LEU HB3 2 68 LEU QD 2.500 . 2.500 2.052 2.013 2.080 . 0 0 "[ . 1 . 2]" 1
2073 2 68 LEU QD 2 71 ALA MB 3.500 . 3.500 2.502 2.358 2.683 . 0 0 "[ . 1 . 2]" 1
2074 2 68 LEU QD 2 72 LYS H 4.660 . 4.660 3.707 3.528 3.892 . 0 0 "[ . 1 . 2]" 1
2075 2 68 LEU QD 2 72 LYS QB 4.420 . 4.420 3.302 2.970 3.665 . 0 0 "[ . 1 . 2]" 1
2076 2 69 LEU H 2 69 LEU QD 4.220 . 4.220 3.548 3.307 3.786 . 0 0 "[ . 1 . 2]" 1
2077 2 69 LEU HA 2 69 LEU QD 2.870 . 2.870 2.165 1.981 2.908 0.038 1 0 "[ . 1 . 2]" 1
2078 2 69 LEU HB2 2 69 LEU QD 2.980 . 2.980 2.287 2.110 2.372 . 0 0 "[ . 1 . 2]" 1
2079 2 69 LEU HB3 2 69 LEU QD 3.090 . 3.090 2.269 2.115 2.401 . 0 0 "[ . 1 . 2]" 1
2080 2 74 GLY QA 2 77 LYS QG 5.340 . 5.340 3.631 2.642 4.574 . 0 0 "[ . 1 . 2]" 1
2081 2 77 LYS H 2 77 LYS QG 4.460 . 4.460 3.240 2.073 4.039 . 0 0 "[ . 1 . 2]" 1
2082 2 77 LYS HA 2 77 LYS QG 2.880 . 2.880 2.717 2.430 2.969 0.089 16 0 "[ . 1 . 2]" 1
2083 2 77 LYS QE 2 77 LYS QG 3.270 . 3.270 2.328 2.141 2.416 . 0 0 "[ . 1 . 2]" 1
2084 2 78 ILE MD 2 79 LYS QG 4.570 . 4.570 3.444 2.533 4.384 . 0 0 "[ . 1 . 2]" 1
2085 2 79 LYS H 2 79 LYS QG 4.050 . 4.050 3.461 2.982 3.886 . 0 0 "[ . 1 . 2]" 1
2086 2 79 LYS HA 2 79 LYS QG 3.270 . 3.270 2.326 2.191 2.483 . 0 0 "[ . 1 . 2]" 1
2087 2 80 LYS H 2 80 LYS QB 3.690 . 3.690 2.527 2.236 2.939 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 236
_Distance_constraint_stats_list.Viol_count 1764
_Distance_constraint_stats_list.Viol_total 1772.096
_Distance_constraint_stats_list.Viol_max 0.213
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0188
_Distance_constraint_stats_list.Viol_average_violations_only 0.0502
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.056 0.038 2 0 "[ . 1 . 2]"
1 9 GLN 0.281 0.054 14 0 "[ . 1 . 2]"
1 10 LYS 0.033 0.033 15 0 "[ . 1 . 2]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.056 0.038 2 0 "[ . 1 . 2]"
1 13 GLU 1.540 0.086 7 0 "[ . 1 . 2]"
1 14 GLU 0.289 0.050 2 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 4.400 0.141 12 0 "[ . 1 . 2]"
1 17 GLU 1.411 0.086 7 0 "[ . 1 . 2]"
1 18 GLN 0.276 0.050 2 0 "[ . 1 . 2]"
1 19 VAL 2.407 0.106 1 0 "[ . 1 . 2]"
1 20 ARG 7.124 0.141 12 0 "[ . 1 . 2]"
1 21 GLU 0.153 0.055 7 0 "[ . 1 . 2]"
1 22 ALA 0.631 0.070 17 0 "[ . 1 . 2]"
1 23 LEU 4.639 0.106 1 0 "[ . 1 . 2]"
1 24 ARG 2.724 0.110 10 0 "[ . 1 . 2]"
1 25 LYS 0.310 0.064 3 0 "[ . 1 . 2]"
1 26 ALA 1.807 0.091 3 0 "[ . 1 . 2]"
1 27 GLU 2.528 0.093 1 0 "[ . 1 . 2]"
1 28 LYS 0.630 0.076 12 0 "[ . 1 . 2]"
1 29 GLU 0.387 0.064 3 0 "[ . 1 . 2]"
1 30 LEU 1.198 0.091 3 0 "[ . 1 . 2]"
1 31 GLU 3.279 0.213 13 0 "[ . 1 . 2]"
1 32 SER 0.630 0.076 12 0 "[ . 1 . 2]"
1 33 HIS 0.077 0.058 2 0 "[ . 1 . 2]"
1 34 SER 0.002 0.001 9 0 "[ . 1 . 2]"
1 35 SER 2.984 0.213 13 0 "[ . 1 . 2]"
1 39 PRO 3.655 0.134 6 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.566 0.069 12 0 "[ . 1 . 2]"
1 42 LEU 1.755 0.083 14 0 "[ . 1 . 2]"
1 43 GLN 4.458 0.134 6 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TRP 1.293 0.069 12 0 "[ . 1 . 2]"
1 46 LEU 1.755 0.083 14 0 "[ . 1 . 2]"
1 47 GLN 1.001 0.104 10 0 "[ . 1 . 2]"
1 48 LEU 0.015 0.008 1 0 "[ . 1 . 2]"
1 49 THR 0.727 0.064 1 0 "[ . 1 . 2]"
1 50 HIS 0.409 0.050 6 0 "[ . 1 . 2]"
1 51 GLU 0.460 0.054 2 0 "[ . 1 . 2]"
1 52 VAL 0.015 0.008 1 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 2.501 0.096 7 0 "[ . 1 . 2]"
1 55 GLN 2.632 0.097 9 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 4.619 0.111 18 0 "[ . 1 . 2]"
1 59 ILE 2.416 0.097 9 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.026 0.010 5 0 "[ . 1 . 2]"
1 62 GLN 4.013 0.111 18 0 "[ . 1 . 2]"
1 63 ASN 0.044 0.020 12 0 "[ . 1 . 2]"
1 64 ALA 0.079 0.063 9 0 "[ . 1 . 2]"
1 65 GLU 0.870 0.098 17 0 "[ . 1 . 2]"
1 66 LYS 2.463 0.098 17 0 "[ . 1 . 2]"
1 67 GLN 0.532 0.068 4 0 "[ . 1 . 2]"
1 68 LEU 0.079 0.063 9 0 "[ . 1 . 2]"
1 69 LEU 3.344 0.098 17 0 "[ . 1 . 2]"
1 70 VAL 1.127 0.062 14 0 "[ . 1 . 2]"
1 71 ALA 0.532 0.068 4 0 "[ . 1 . 2]"
1 72 LYS 1.276 0.078 15 0 "[ . 1 . 2]"
1 73 GLU 3.699 0.112 16 0 "[ . 1 . 2]"
1 74 GLY 0.150 0.031 5 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 1.276 0.078 15 0 "[ . 1 . 2]"
1 77 LYS 1.199 0.112 16 0 "[ . 1 . 2]"
2 8 ARG 0.057 0.047 2 0 "[ . 1 . 2]"
2 9 GLN 0.292 0.041 7 0 "[ . 1 . 2]"
2 10 LYS 0.051 0.044 15 0 "[ . 1 . 2]"
2 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ALA 0.057 0.047 2 0 "[ . 1 . 2]"
2 13 GLU 1.332 0.078 11 0 "[ . 1 . 2]"
2 14 GLU 0.311 0.057 4 0 "[ . 1 . 2]"
2 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LEU 4.394 0.149 13 0 "[ . 1 . 2]"
2 17 GLU 1.177 0.078 11 0 "[ . 1 . 2]"
2 18 GLN 0.309 0.057 4 0 "[ . 1 . 2]"
2 19 VAL 2.413 0.097 1 0 "[ . 1 . 2]"
2 20 ARG 6.857 0.149 13 0 "[ . 1 . 2]"
2 21 GLU 0.137 0.041 16 0 "[ . 1 . 2]"
2 22 ALA 0.614 0.064 17 0 "[ . 1 . 2]"
2 23 LEU 4.806 0.105 1 0 "[ . 1 . 2]"
2 24 ARG 2.463 0.105 10 0 "[ . 1 . 2]"
2 25 LYS 0.282 0.062 3 0 "[ . 1 . 2]"
2 26 ALA 1.737 0.085 3 0 "[ . 1 . 2]"
2 27 GLU 2.815 0.105 1 0 "[ . 1 . 2]"
2 28 LYS 0.542 0.069 5 0 "[ . 1 . 2]"
2 29 GLU 0.360 0.062 3 0 "[ . 1 . 2]"
2 30 LEU 1.176 0.085 3 0 "[ . 1 . 2]"
2 31 GLU 3.228 0.202 13 0 "[ . 1 . 2]"
2 32 SER 0.542 0.069 5 0 "[ . 1 . 2]"
2 33 HIS 0.079 0.047 2 0 "[ . 1 . 2]"
2 34 SER 0.004 0.004 9 0 "[ . 1 . 2]"
2 35 SER 2.806 0.202 13 0 "[ . 1 . 2]"
2 39 PRO 3.634 0.142 6 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ALA 0.564 0.058 5 0 "[ . 1 . 2]"
2 42 LEU 1.736 0.080 14 0 "[ . 1 . 2]"
2 43 GLN 4.531 0.142 6 0 "[ . 1 . 2]"
2 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 TRP 1.321 0.061 1 0 "[ . 1 . 2]"
2 46 LEU 1.736 0.080 14 0 "[ . 1 . 2]"
2 47 GLN 1.049 0.103 18 0 "[ . 1 . 2]"
2 48 LEU 0.006 0.006 12 0 "[ . 1 . 2]"
2 49 THR 0.758 0.061 1 0 "[ . 1 . 2]"
2 50 HIS 0.336 0.046 1 0 "[ . 1 . 2]"
2 51 GLU 0.342 0.052 2 0 "[ . 1 . 2]"
2 52 VAL 0.006 0.006 12 0 "[ . 1 . 2]"
2 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 VAL 2.459 0.095 15 0 "[ . 1 . 2]"
2 55 GLN 2.764 0.097 9 0 "[ . 1 . 2]"
2 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ASN 4.556 0.095 15 0 "[ . 1 . 2]"
2 59 ILE 2.618 0.097 9 0 "[ . 1 . 2]"
2 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 LYS 0.071 0.032 5 0 "[ . 1 . 2]"
2 62 GLN 4.002 0.095 17 0 "[ . 1 . 2]"
2 63 ASN 0.044 0.026 15 0 "[ . 1 . 2]"
2 64 ALA 0.053 0.047 9 0 "[ . 1 . 2]"
2 65 GLU 0.981 0.094 17 0 "[ . 1 . 2]"
2 66 LYS 2.519 0.095 17 0 "[ . 1 . 2]"
2 67 GLN 0.559 0.064 4 0 "[ . 1 . 2]"
2 68 LEU 0.053 0.047 9 0 "[ . 1 . 2]"
2 69 LEU 3.414 0.094 17 0 "[ . 1 . 2]"
2 70 VAL 1.282 0.064 14 0 "[ . 1 . 2]"
2 71 ALA 0.559 0.064 4 0 "[ . 1 . 2]"
2 72 LYS 1.311 0.069 15 0 "[ . 1 . 2]"
2 73 GLU 3.567 0.103 2 0 "[ . 1 . 2]"
2 74 GLY 0.331 0.044 15 0 "[ . 1 . 2]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 GLU 1.311 0.069 15 0 "[ . 1 . 2]"
2 77 LYS 1.063 0.103 2 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 8 ARG O 1 12 ALA H 2.000 . 2.000 1.912 1.751 2.038 0.038 2 0 "[ . 1 . 2]" 2
2 1 8 ARG O 1 12 ALA N 3.000 . 3.000 2.855 2.694 3.005 0.005 2 0 "[ . 1 . 2]" 2
3 1 9 GLN O 1 13 GLU H 2.000 . 2.000 1.958 1.793 2.054 0.054 14 0 "[ . 1 . 2]" 2
4 1 9 GLN O 1 13 GLU N 3.000 . 3.000 2.907 2.755 3.002 0.002 14 0 "[ . 1 . 2]" 2
5 1 10 LYS O 1 14 GLU H 2.000 . 2.000 1.869 1.726 2.033 0.033 15 0 "[ . 1 . 2]" 2
6 1 10 LYS O 1 14 GLU N 3.000 . 3.000 2.833 2.705 2.996 . 0 0 "[ . 1 . 2]" 2
7 1 11 TYR O 1 15 GLU H 2.000 . 2.000 1.802 1.660 1.912 . 0 0 "[ . 1 . 2]" 2
8 1 11 TYR O 1 15 GLU N 3.000 . 3.000 2.749 2.623 2.867 . 0 0 "[ . 1 . 2]" 2
9 1 12 ALA O 1 16 LEU H 2.000 . 2.000 1.861 1.780 1.947 . 0 0 "[ . 1 . 2]" 2
10 1 12 ALA O 1 16 LEU N 3.000 . 3.000 2.805 2.738 2.859 . 0 0 "[ . 1 . 2]" 2
11 1 13 GLU O 1 17 GLU H 2.000 . 2.000 2.040 1.934 2.086 0.086 7 0 "[ . 1 . 2]" 2
12 1 13 GLU O 1 17 GLU N 3.000 . 3.000 3.010 2.907 3.056 0.056 7 0 "[ . 1 . 2]" 2
13 1 14 GLU O 1 18 GLN H 2.000 . 2.000 1.989 1.874 2.050 0.050 2 0 "[ . 1 . 2]" 2
14 1 14 GLU O 1 18 GLN N 3.000 . 3.000 2.925 2.815 3.004 0.004 2 0 "[ . 1 . 2]" 2
15 1 15 GLU O 1 19 VAL H 2.000 . 2.000 1.705 1.635 1.826 . 0 0 "[ . 1 . 2]" 2
16 1 15 GLU O 1 19 VAL N 3.000 . 3.000 2.685 2.614 2.802 . 0 0 "[ . 1 . 2]" 2
17 1 16 LEU O 1 20 ARG H 2.000 . 2.000 2.124 2.095 2.141 0.141 12 0 "[ . 1 . 2]" 2
18 1 16 LEU O 1 20 ARG N 3.000 . 3.000 3.096 3.064 3.114 0.114 12 0 "[ . 1 . 2]" 2
19 1 17 GLU O 1 21 GLU H 2.000 . 2.000 1.951 1.834 2.055 0.055 7 0 "[ . 1 . 2]" 2
20 1 17 GLU O 1 21 GLU N 3.000 . 3.000 2.901 2.793 2.997 . 0 0 "[ . 1 . 2]" 2
21 1 18 GLN O 1 22 ALA H 2.000 . 2.000 1.885 1.762 2.010 0.010 18 0 "[ . 1 . 2]" 2
22 1 18 GLN O 1 22 ALA N 3.000 . 3.000 2.791 2.698 2.903 . 0 0 "[ . 1 . 2]" 2
23 1 19 VAL O 1 23 LEU H 2.000 . 2.000 2.082 2.060 2.106 0.106 1 0 "[ . 1 . 2]" 2
24 1 19 VAL O 1 23 LEU N 3.000 . 3.000 3.038 3.015 3.052 0.052 17 0 "[ . 1 . 2]" 2
25 1 20 ARG O 1 24 ARG H 2.000 . 2.000 2.080 2.047 2.110 0.110 10 0 "[ . 1 . 2]" 2
26 1 20 ARG O 1 24 ARG N 3.000 . 3.000 3.056 3.024 3.092 0.092 10 0 "[ . 1 . 2]" 2
27 1 21 GLU O 1 25 LYS H 2.000 . 2.000 1.751 1.641 1.905 . 0 0 "[ . 1 . 2]" 2
28 1 21 GLU O 1 25 LYS N 3.000 . 3.000 2.662 2.595 2.762 . 0 0 "[ . 1 . 2]" 2
29 1 22 ALA O 1 26 ALA H 2.000 . 2.000 2.031 2.004 2.070 0.070 17 0 "[ . 1 . 2]" 2
30 1 22 ALA O 1 26 ALA N 3.000 . 3.000 2.921 2.848 2.983 . 0 0 "[ . 1 . 2]" 2
31 1 23 LEU O 1 27 GLU H 2.000 . 2.000 2.084 2.062 2.093 0.093 1 0 "[ . 1 . 2]" 2
32 1 23 LEU O 1 27 GLU N 3.000 . 3.000 3.028 3.002 3.040 0.040 1 0 "[ . 1 . 2]" 2
33 1 24 ARG O 1 28 LYS H 2.000 . 2.000 1.853 1.770 1.910 . 0 0 "[ . 1 . 2]" 2
34 1 24 ARG O 1 28 LYS N 3.000 . 3.000 2.733 2.664 2.815 . 0 0 "[ . 1 . 2]" 2
35 1 25 LYS O 1 29 GLU H 2.000 . 2.000 1.992 1.825 2.064 0.064 3 0 "[ . 1 . 2]" 2
36 1 25 LYS O 1 29 GLU N 3.000 . 3.000 2.880 2.760 2.952 . 0 0 "[ . 1 . 2]" 2
37 1 26 ALA O 1 30 LEU H 2.000 . 2.000 2.055 1.976 2.091 0.091 3 0 "[ . 1 . 2]" 2
38 1 26 ALA O 1 30 LEU N 3.000 . 3.000 2.986 2.878 3.023 0.023 6 0 "[ . 1 . 2]" 2
39 1 27 GLU O 1 31 GLU H 2.000 . 2.000 1.984 1.858 2.049 0.049 18 0 "[ . 1 . 2]" 2
40 1 27 GLU O 1 31 GLU N 3.000 . 3.000 2.942 2.813 3.004 0.004 17 0 "[ . 1 . 2]" 2
41 1 28 LYS O 1 32 SER H 2.000 . 2.000 2.010 1.843 2.076 0.076 12 0 "[ . 1 . 2]" 2
42 1 28 LYS O 1 32 SER N 3.000 . 3.000 2.962 2.800 3.022 0.022 12 0 "[ . 1 . 2]" 2
43 1 29 GLU O 1 33 HIS H 2.000 . 2.000 1.914 1.757 2.058 0.058 2 0 "[ . 1 . 2]" 2
44 1 29 GLU O 1 33 HIS N 3.000 . 3.000 2.685 2.547 2.803 . 0 0 "[ . 1 . 2]" 2
45 1 30 LEU O 1 34 SER H 2.000 . 2.000 1.828 1.725 2.001 0.001 9 0 "[ . 1 . 2]" 2
46 1 30 LEU O 1 34 SER N 3.000 . 3.000 2.632 2.589 2.685 . 0 0 "[ . 1 . 2]" 2
47 1 31 GLU O 1 35 SER H 2.000 . 2.000 2.145 2.083 2.213 0.213 13 0 "[ . 1 . 2]" 2
48 1 31 GLU O 1 35 SER N 3.000 . 3.000 2.941 2.802 3.028 0.028 9 0 "[ . 1 . 2]" 2
49 1 39 PRO O 1 43 GLN H 2.000 . 2.000 2.108 2.075 2.134 0.134 6 0 "[ . 1 . 2]" 2
50 1 39 PRO O 1 43 GLN N 3.000 . 3.000 3.074 3.043 3.097 0.097 1 0 "[ . 1 . 2]" 2
51 1 40 GLU O 1 44 LYS H 2.000 . 2.000 1.688 1.653 1.737 . 0 0 "[ . 1 . 2]" 2
52 1 40 GLU O 1 44 LYS N 3.000 . 3.000 2.653 2.603 2.697 . 0 0 "[ . 1 . 2]" 2
53 1 41 ALA O 1 45 TRP H 2.000 . 2.000 2.027 1.977 2.069 0.069 12 0 "[ . 1 . 2]" 2
54 1 41 ALA O 1 45 TRP N 3.000 . 3.000 2.926 2.854 2.992 . 0 0 "[ . 1 . 2]" 2
55 1 42 LEU O 1 46 LEU H 2.000 . 2.000 2.053 2.029 2.083 0.083 14 0 "[ . 1 . 2]" 2
56 1 42 LEU O 1 46 LEU N 3.000 . 3.000 3.035 3.013 3.064 0.064 14 0 "[ . 1 . 2]" 2
57 1 43 GLN O 1 47 GLN H 2.000 . 2.000 2.029 1.840 2.104 0.104 10 0 "[ . 1 . 2]" 2
58 1 43 GLN O 1 47 GLN N 3.000 . 3.000 2.942 2.765 3.020 0.020 10 0 "[ . 1 . 2]" 2
59 1 44 LYS O 1 48 LEU H 2.000 . 2.000 1.881 1.820 1.989 . 0 0 "[ . 1 . 2]" 2
60 1 44 LYS O 1 48 LEU N 3.000 . 3.000 2.847 2.779 2.947 . 0 0 "[ . 1 . 2]" 2
61 1 45 TRP O 1 49 THR H 2.000 . 2.000 2.028 1.982 2.064 0.064 1 0 "[ . 1 . 2]" 2
62 1 45 TRP O 1 49 THR N 3.000 . 3.000 2.997 2.947 3.031 0.031 1 0 "[ . 1 . 2]" 2
63 1 46 LEU O 1 50 HIS H 2.000 . 2.000 1.741 1.700 1.781 . 0 0 "[ . 1 . 2]" 2
64 1 46 LEU O 1 50 HIS N 3.000 . 3.000 2.708 2.664 2.752 . 0 0 "[ . 1 . 2]" 2
65 1 47 GLN O 1 51 GLU H 2.000 . 2.000 1.935 1.831 2.054 0.054 2 0 "[ . 1 . 2]" 2
66 1 47 GLN O 1 51 GLU N 3.000 . 3.000 2.887 2.789 3.017 0.017 7 0 "[ . 1 . 2]" 2
67 1 48 LEU O 1 52 VAL H 2.000 . 2.000 1.917 1.823 2.008 0.008 1 0 "[ . 1 . 2]" 2
68 1 48 LEU O 1 52 VAL N 3.000 . 3.000 2.813 2.724 2.910 . 0 0 "[ . 1 . 2]" 2
69 1 49 THR O 1 53 GLU H 2.000 . 2.000 1.730 1.687 1.766 . 0 0 "[ . 1 . 2]" 2
70 1 49 THR O 1 53 GLU N 3.000 . 3.000 2.695 2.660 2.735 . 0 0 "[ . 1 . 2]" 2
71 1 50 HIS O 1 54 VAL H 2.000 . 2.000 2.020 1.994 2.050 0.050 6 0 "[ . 1 . 2]" 2
72 1 50 HIS O 1 54 VAL N 3.000 . 3.000 2.963 2.935 2.997 . 0 0 "[ . 1 . 2]" 2
73 1 51 GLU O 1 55 GLN H 2.000 . 2.000 1.979 1.871 2.047 0.047 5 0 "[ . 1 . 2]" 2
74 1 51 GLU O 1 55 GLN N 3.000 . 3.000 2.907 2.801 2.974 . 0 0 "[ . 1 . 2]" 2
75 1 52 VAL O 1 56 TYR H 2.000 . 2.000 1.760 1.728 1.817 . 0 0 "[ . 1 . 2]" 2
76 1 52 VAL O 1 56 TYR N 3.000 . 3.000 2.714 2.683 2.760 . 0 0 "[ . 1 . 2]" 2
77 1 53 GLU O 1 57 TYR H 2.000 . 2.000 1.845 1.789 1.892 . 0 0 "[ . 1 . 2]" 2
78 1 53 GLU O 1 57 TYR N 3.000 . 3.000 2.682 2.644 2.715 . 0 0 "[ . 1 . 2]" 2
79 1 54 VAL O 1 58 ASN H 2.000 . 2.000 2.077 2.054 2.096 0.096 7 0 "[ . 1 . 2]" 2
80 1 54 VAL O 1 58 ASN N 3.000 . 3.000 3.028 3.003 3.057 0.057 7 0 "[ . 1 . 2]" 2
81 1 55 GLN O 1 59 ILE H 2.000 . 2.000 2.070 2.049 2.097 0.097 9 0 "[ . 1 . 2]" 2
82 1 55 GLN O 1 59 ILE N 3.000 . 3.000 3.049 3.025 3.072 0.072 5 0 "[ . 1 . 2]" 2
83 1 56 TYR O 1 60 LYS H 2.000 . 2.000 1.717 1.669 1.792 . 0 0 "[ . 1 . 2]" 2
84 1 56 TYR O 1 60 LYS N 3.000 . 3.000 2.667 2.623 2.732 . 0 0 "[ . 1 . 2]" 2
85 1 57 TYR O 1 61 LYS H 2.000 . 2.000 1.798 1.739 1.864 . 0 0 "[ . 1 . 2]" 2
86 1 57 TYR O 1 61 LYS N 3.000 . 3.000 2.714 2.663 2.769 . 0 0 "[ . 1 . 2]" 2
87 1 58 ASN O 1 62 GLN H 2.000 . 2.000 2.079 2.052 2.111 0.111 18 0 "[ . 1 . 2]" 2
88 1 58 ASN O 1 62 GLN N 3.000 . 3.000 3.047 3.020 3.083 0.083 18 0 "[ . 1 . 2]" 2
89 1 59 ILE O 1 63 ASN H 2.000 . 2.000 1.966 1.885 2.020 0.020 12 0 "[ . 1 . 2]" 2
90 1 59 ILE O 1 63 ASN N 3.000 . 3.000 2.848 2.803 2.895 . 0 0 "[ . 1 . 2]" 2
91 1 60 LYS O 1 64 ALA H 2.000 . 2.000 1.713 1.661 1.769 . 0 0 "[ . 1 . 2]" 2
92 1 60 LYS O 1 64 ALA N 3.000 . 3.000 2.657 2.621 2.712 . 0 0 "[ . 1 . 2]" 2
93 1 61 LYS O 1 65 GLU H 2.000 . 2.000 1.973 1.894 2.010 0.010 5 0 "[ . 1 . 2]" 2
94 1 61 LYS O 1 65 GLU N 3.000 . 3.000 2.943 2.870 2.984 . 0 0 "[ . 1 . 2]" 2
95 1 62 GLN O 1 66 LYS H 2.000 . 2.000 2.057 2.008 2.098 0.098 17 0 "[ . 1 . 2]" 2
96 1 62 GLN O 1 66 LYS N 3.000 . 3.000 3.007 2.946 3.052 0.052 19 0 "[ . 1 . 2]" 2
97 1 63 ASN O 1 67 GLN H 2.000 . 2.000 1.758 1.691 1.869 . 0 0 "[ . 1 . 2]" 2
98 1 63 ASN O 1 67 GLN N 3.000 . 3.000 2.685 2.626 2.773 . 0 0 "[ . 1 . 2]" 2
99 1 64 ALA O 1 68 LEU H 2.000 . 2.000 1.936 1.832 2.063 0.063 9 0 "[ . 1 . 2]" 2
100 1 64 ALA O 1 68 LEU N 3.000 . 3.000 2.902 2.816 3.016 0.016 9 0 "[ . 1 . 2]" 2
101 1 65 GLU O 1 69 LEU H 2.000 . 2.000 2.038 1.953 2.098 0.098 17 0 "[ . 1 . 2]" 2
102 1 65 GLU O 1 69 LEU N 3.000 . 3.000 2.890 2.817 2.978 . 0 0 "[ . 1 . 2]" 2
103 1 66 LYS O 1 70 VAL H 2.000 . 2.000 2.036 1.974 2.062 0.062 14 0 "[ . 1 . 2]" 2
104 1 66 LYS O 1 70 VAL N 3.000 . 3.000 3.003 2.940 3.029 0.029 10 0 "[ . 1 . 2]" 2
105 1 67 GLN O 1 71 ALA H 2.000 . 2.000 2.026 1.985 2.068 0.068 4 0 "[ . 1 . 2]" 2
106 1 67 GLN O 1 71 ALA N 3.000 . 3.000 2.912 2.868 2.956 . 0 0 "[ . 1 . 2]" 2
107 1 68 LEU O 1 72 LYS H 2.000 . 2.000 1.654 1.616 1.713 . 0 0 "[ . 1 . 2]" 2
108 1 68 LEU O 1 72 LYS N 3.000 . 3.000 2.605 2.567 2.647 . 0 0 "[ . 1 . 2]" 2
109 1 69 LEU O 1 73 GLU H 2.000 . 2.000 2.073 2.042 2.095 0.095 15 0 "[ . 1 . 2]" 2
110 1 69 LEU O 1 73 GLU N 3.000 . 3.000 3.052 3.023 3.073 0.073 11 0 "[ . 1 . 2]" 2
111 1 70 VAL O 1 74 GLY H 2.000 . 2.000 2.002 1.944 2.031 0.031 5 0 "[ . 1 . 2]" 2
112 1 70 VAL O 1 74 GLY N 3.000 . 3.000 2.909 2.845 2.956 . 0 0 "[ . 1 . 2]" 2
113 1 71 ALA O 1 75 ALA H 2.000 . 2.000 1.734 1.704 1.775 . 0 0 "[ . 1 . 2]" 2
114 1 71 ALA O 1 75 ALA N 3.000 . 3.000 2.674 2.644 2.719 . 0 0 "[ . 1 . 2]" 2
115 1 72 LYS O 1 76 GLU H 2.000 . 2.000 2.049 2.016 2.078 0.078 15 0 "[ . 1 . 2]" 2
116 1 72 LYS O 1 76 GLU N 3.000 . 3.000 3.013 2.974 3.038 0.038 9 0 "[ . 1 . 2]" 2
117 1 73 GLU O 1 77 LYS H 2.000 . 2.000 2.060 2.032 2.112 0.112 16 0 "[ . 1 . 2]" 2
118 1 73 GLU O 1 77 LYS N 3.000 . 3.000 2.919 2.834 2.996 . 0 0 "[ . 1 . 2]" 2
119 2 8 ARG O 2 12 ALA H 2.000 . 2.000 1.908 1.744 2.047 0.047 2 0 "[ . 1 . 2]" 2
120 2 8 ARG O 2 12 ALA N 3.000 . 3.000 2.853 2.700 3.006 0.006 2 0 "[ . 1 . 2]" 2
121 2 9 GLN O 2 13 GLU H 2.000 . 2.000 1.970 1.813 2.041 0.041 7 0 "[ . 1 . 2]" 2
122 2 9 GLN O 2 13 GLU N 3.000 . 3.000 2.917 2.770 3.003 0.003 17 0 "[ . 1 . 2]" 2
123 2 10 LYS O 2 14 GLU H 2.000 . 2.000 1.877 1.729 2.044 0.044 15 0 "[ . 1 . 2]" 2
124 2 10 LYS O 2 14 GLU N 3.000 . 3.000 2.841 2.706 3.006 0.006 15 0 "[ . 1 . 2]" 2
125 2 11 TYR O 2 15 GLU H 2.000 . 2.000 1.802 1.704 1.934 . 0 0 "[ . 1 . 2]" 2
126 2 11 TYR O 2 15 GLU N 3.000 . 3.000 2.747 2.653 2.888 . 0 0 "[ . 1 . 2]" 2
127 2 12 ALA O 2 16 LEU H 2.000 . 2.000 1.859 1.777 1.964 . 0 0 "[ . 1 . 2]" 2
128 2 12 ALA O 2 16 LEU N 3.000 . 3.000 2.804 2.695 2.870 . 0 0 "[ . 1 . 2]" 2
129 2 13 GLU O 2 17 GLU H 2.000 . 2.000 2.033 1.913 2.078 0.078 11 0 "[ . 1 . 2]" 2
130 2 13 GLU O 2 17 GLU N 3.000 . 3.000 3.002 2.886 3.037 0.037 7 0 "[ . 1 . 2]" 2
131 2 14 GLU O 2 18 GLN H 2.000 . 2.000 1.992 1.849 2.057 0.057 4 0 "[ . 1 . 2]" 2
132 2 14 GLU O 2 18 GLN N 3.000 . 3.000 2.927 2.807 3.003 0.003 2 0 "[ . 1 . 2]" 2
133 2 15 GLU O 2 19 VAL H 2.000 . 2.000 1.704 1.652 1.818 . 0 0 "[ . 1 . 2]" 2
134 2 15 GLU O 2 19 VAL N 3.000 . 3.000 2.684 2.632 2.798 . 0 0 "[ . 1 . 2]" 2
135 2 16 LEU O 2 20 ARG H 2.000 . 2.000 2.123 2.107 2.149 0.149 13 0 "[ . 1 . 2]" 2
136 2 16 LEU O 2 20 ARG N 3.000 . 3.000 3.096 3.074 3.120 0.120 12 0 "[ . 1 . 2]" 2
137 2 17 GLU O 2 21 GLU H 2.000 . 2.000 1.957 1.846 2.041 0.041 16 0 "[ . 1 . 2]" 2
138 2 17 GLU O 2 21 GLU N 3.000 . 3.000 2.904 2.815 2.989 . 0 0 "[ . 1 . 2]" 2
139 2 18 GLN O 2 22 ALA H 2.000 . 2.000 1.881 1.728 2.032 0.032 4 0 "[ . 1 . 2]" 2
140 2 18 GLN O 2 22 ALA N 3.000 . 3.000 2.787 2.662 2.903 . 0 0 "[ . 1 . 2]" 2
141 2 19 VAL O 2 23 LEU H 2.000 . 2.000 2.084 2.067 2.097 0.097 1 0 "[ . 1 . 2]" 2
142 2 19 VAL O 2 23 LEU N 3.000 . 3.000 3.037 3.012 3.049 0.049 12 0 "[ . 1 . 2]" 2
143 2 20 ARG O 2 24 ARG H 2.000 . 2.000 2.073 2.043 2.105 0.105 10 0 "[ . 1 . 2]" 2
144 2 20 ARG O 2 24 ARG N 3.000 . 3.000 3.050 3.022 3.087 0.087 10 0 "[ . 1 . 2]" 2
145 2 21 GLU O 2 25 LYS H 2.000 . 2.000 1.755 1.637 1.861 . 0 0 "[ . 1 . 2]" 2
146 2 21 GLU O 2 25 LYS N 3.000 . 3.000 2.670 2.591 2.748 . 0 0 "[ . 1 . 2]" 2
147 2 22 ALA O 2 26 ALA H 2.000 . 2.000 2.028 1.994 2.064 0.064 17 0 "[ . 1 . 2]" 2
148 2 22 ALA O 2 26 ALA N 3.000 . 3.000 2.920 2.864 2.959 . 0 0 "[ . 1 . 2]" 2
149 2 23 LEU O 2 27 GLU H 2.000 . 2.000 2.088 2.067 2.105 0.105 1 0 "[ . 1 . 2]" 2
150 2 23 LEU O 2 27 GLU N 3.000 . 3.000 3.032 3.010 3.052 0.052 12 0 "[ . 1 . 2]" 2
151 2 24 ARG O 2 28 LYS H 2.000 . 2.000 1.859 1.803 1.937 . 0 0 "[ . 1 . 2]" 2
152 2 24 ARG O 2 28 LYS N 3.000 . 3.000 2.735 2.661 2.834 . 0 0 "[ . 1 . 2]" 2
153 2 25 LYS O 2 29 GLU H 2.000 . 2.000 1.979 1.860 2.062 0.062 3 0 "[ . 1 . 2]" 2
154 2 25 LYS O 2 29 GLU N 3.000 . 3.000 2.873 2.763 2.939 . 0 0 "[ . 1 . 2]" 2
155 2 26 ALA O 2 30 LEU H 2.000 . 2.000 2.054 1.975 2.085 0.085 3 0 "[ . 1 . 2]" 2
156 2 26 ALA O 2 30 LEU N 3.000 . 3.000 2.987 2.895 3.018 0.018 9 0 "[ . 1 . 2]" 2
157 2 27 GLU O 2 31 GLU H 2.000 . 2.000 2.004 1.876 2.062 0.062 20 0 "[ . 1 . 2]" 2
158 2 27 GLU O 2 31 GLU N 3.000 . 3.000 2.939 2.809 3.007 0.007 17 0 "[ . 1 . 2]" 2
159 2 28 LYS O 2 32 SER H 2.000 . 2.000 2.000 1.851 2.069 0.069 5 0 "[ . 1 . 2]" 2
160 2 28 LYS O 2 32 SER N 3.000 . 3.000 2.956 2.804 3.031 0.031 3 0 "[ . 1 . 2]" 2
161 2 29 GLU O 2 33 HIS H 2.000 . 2.000 1.911 1.745 2.047 0.047 2 0 "[ . 1 . 2]" 2
162 2 29 GLU O 2 33 HIS N 3.000 . 3.000 2.682 2.554 2.800 . 0 0 "[ . 1 . 2]" 2
163 2 30 LEU O 2 34 SER H 2.000 . 2.000 1.863 1.749 2.004 0.004 9 0 "[ . 1 . 2]" 2
164 2 30 LEU O 2 34 SER N 3.000 . 3.000 2.653 2.611 2.764 . 0 0 "[ . 1 . 2]" 2
165 2 31 GLU O 2 35 SER H 2.000 . 2.000 2.136 2.062 2.202 0.202 13 0 "[ . 1 . 2]" 2
166 2 31 GLU O 2 35 SER N 3.000 . 3.000 2.937 2.848 3.036 0.036 2 0 "[ . 1 . 2]" 2
167 2 39 PRO O 2 43 GLN H 2.000 . 2.000 2.108 2.066 2.142 0.142 6 0 "[ . 1 . 2]" 2
168 2 39 PRO O 2 43 GLN N 3.000 . 3.000 3.074 3.036 3.096 0.096 6 0 "[ . 1 . 2]" 2
169 2 40 GLU O 2 44 LYS H 2.000 . 2.000 1.691 1.638 1.741 . 0 0 "[ . 1 . 2]" 2
170 2 40 GLU O 2 44 LYS N 3.000 . 3.000 2.655 2.614 2.712 . 0 0 "[ . 1 . 2]" 2
171 2 41 ALA O 2 45 TRP H 2.000 . 2.000 2.027 1.986 2.058 0.058 5 0 "[ . 1 . 2]" 2
172 2 41 ALA O 2 45 TRP N 3.000 . 3.000 2.924 2.851 2.979 . 0 0 "[ . 1 . 2]" 2
173 2 42 LEU O 2 46 LEU H 2.000 . 2.000 2.052 2.034 2.080 0.080 14 0 "[ . 1 . 2]" 2
174 2 42 LEU O 2 46 LEU N 3.000 . 3.000 3.034 3.015 3.063 0.063 14 0 "[ . 1 . 2]" 2
175 2 43 GLN O 2 47 GLN H 2.000 . 2.000 2.036 1.863 2.103 0.103 18 0 "[ . 1 . 2]" 2
176 2 43 GLN O 2 47 GLN N 3.000 . 3.000 2.946 2.782 3.004 0.004 18 0 "[ . 1 . 2]" 2
177 2 44 LYS O 2 48 LEU H 2.000 . 2.000 1.879 1.826 1.986 . 0 0 "[ . 1 . 2]" 2
178 2 44 LYS O 2 48 LEU N 3.000 . 3.000 2.844 2.797 2.941 . 0 0 "[ . 1 . 2]" 2
179 2 45 TRP O 2 49 THR H 2.000 . 2.000 2.030 1.985 2.061 0.061 1 0 "[ . 1 . 2]" 2
180 2 45 TRP O 2 49 THR N 3.000 . 3.000 2.997 2.947 3.033 0.033 1 0 "[ . 1 . 2]" 2
181 2 46 LEU O 2 50 HIS H 2.000 . 2.000 1.737 1.696 1.772 . 0 0 "[ . 1 . 2]" 2
182 2 46 LEU O 2 50 HIS N 3.000 . 3.000 2.705 2.659 2.747 . 0 0 "[ . 1 . 2]" 2
183 2 47 GLN O 2 51 GLU H 2.000 . 2.000 1.949 1.814 2.052 0.052 2 0 "[ . 1 . 2]" 2
184 2 47 GLN O 2 51 GLU N 3.000 . 3.000 2.900 2.767 3.000 . 0 0 "[ . 1 . 2]" 2
185 2 48 LEU O 2 52 VAL H 2.000 . 2.000 1.891 1.805 2.006 0.006 12 0 "[ . 1 . 2]" 2
186 2 48 LEU O 2 52 VAL N 3.000 . 3.000 2.808 2.725 2.925 . 0 0 "[ . 1 . 2]" 2
187 2 49 THR O 2 53 GLU H 2.000 . 2.000 1.731 1.685 1.763 . 0 0 "[ . 1 . 2]" 2
188 2 49 THR O 2 53 GLU N 3.000 . 3.000 2.694 2.652 2.733 . 0 0 "[ . 1 . 2]" 2
189 2 50 HIS O 2 54 VAL H 2.000 . 2.000 2.014 1.951 2.046 0.046 1 0 "[ . 1 . 2]" 2
190 2 50 HIS O 2 54 VAL N 3.000 . 3.000 2.957 2.898 2.998 . 0 0 "[ . 1 . 2]" 2
191 2 51 GLU O 2 55 GLN H 2.000 . 2.000 1.971 1.813 2.033 0.033 9 0 "[ . 1 . 2]" 2
192 2 51 GLU O 2 55 GLN N 3.000 . 3.000 2.901 2.764 2.976 . 0 0 "[ . 1 . 2]" 2
193 2 52 VAL O 2 56 TYR H 2.000 . 2.000 1.759 1.720 1.798 . 0 0 "[ . 1 . 2]" 2
194 2 52 VAL O 2 56 TYR N 3.000 . 3.000 2.715 2.678 2.754 . 0 0 "[ . 1 . 2]" 2
195 2 53 GLU O 2 57 TYR H 2.000 . 2.000 1.840 1.791 1.895 . 0 0 "[ . 1 . 2]" 2
196 2 53 GLU O 2 57 TYR N 3.000 . 3.000 2.679 2.649 2.725 . 0 0 "[ . 1 . 2]" 2
197 2 54 VAL O 2 58 ASN H 2.000 . 2.000 2.078 2.051 2.095 0.095 15 0 "[ . 1 . 2]" 2
198 2 54 VAL O 2 58 ASN N 3.000 . 3.000 3.029 3.005 3.049 0.049 7 0 "[ . 1 . 2]" 2
199 2 55 GLN O 2 59 ILE H 2.000 . 2.000 2.075 2.052 2.097 0.097 9 0 "[ . 1 . 2]" 2
200 2 55 GLN O 2 59 ILE N 3.000 . 3.000 3.054 3.026 3.079 0.079 11 0 "[ . 1 . 2]" 2
201 2 56 TYR O 2 60 LYS H 2.000 . 2.000 1.719 1.683 1.790 . 0 0 "[ . 1 . 2]" 2
202 2 56 TYR O 2 60 LYS N 3.000 . 3.000 2.670 2.638 2.727 . 0 0 "[ . 1 . 2]" 2
203 2 57 TYR O 2 61 LYS H 2.000 . 2.000 1.795 1.726 1.842 . 0 0 "[ . 1 . 2]" 2
204 2 57 TYR O 2 61 LYS N 3.000 . 3.000 2.712 2.666 2.744 . 0 0 "[ . 1 . 2]" 2
205 2 58 ASN O 2 62 GLN H 2.000 . 2.000 2.076 2.054 2.089 0.089 10 0 "[ . 1 . 2]" 2
206 2 58 ASN O 2 62 GLN N 3.000 . 3.000 3.046 3.023 3.065 0.065 2 0 "[ . 1 . 2]" 2
207 2 59 ILE O 2 63 ASN H 2.000 . 2.000 1.965 1.898 2.026 0.026 15 0 "[ . 1 . 2]" 2
208 2 59 ILE O 2 63 ASN N 3.000 . 3.000 2.847 2.795 2.890 . 0 0 "[ . 1 . 2]" 2
209 2 60 LYS O 2 64 ALA H 2.000 . 2.000 1.718 1.660 1.767 . 0 0 "[ . 1 . 2]" 2
210 2 60 LYS O 2 64 ALA N 3.000 . 3.000 2.662 2.624 2.709 . 0 0 "[ . 1 . 2]" 2
211 2 61 LYS O 2 65 GLU H 2.000 . 2.000 1.972 1.876 2.032 0.032 5 0 "[ . 1 . 2]" 2
212 2 61 LYS O 2 65 GLU N 3.000 . 3.000 2.942 2.844 3.002 0.002 5 0 "[ . 1 . 2]" 2
213 2 62 GLN O 2 66 LYS H 2.000 . 2.000 2.061 2.006 2.095 0.095 17 0 "[ . 1 . 2]" 2
214 2 62 GLN O 2 66 LYS N 3.000 . 3.000 3.010 2.935 3.046 0.046 15 0 "[ . 1 . 2]" 2
215 2 63 ASN O 2 67 GLN H 2.000 . 2.000 1.766 1.657 1.885 . 0 0 "[ . 1 . 2]" 2
216 2 63 ASN O 2 67 GLN N 3.000 . 3.000 2.686 2.612 2.762 . 0 0 "[ . 1 . 2]" 2
217 2 64 ALA O 2 68 LEU H 2.000 . 2.000 1.913 1.824 2.047 0.047 9 0 "[ . 1 . 2]" 2
218 2 64 ALA O 2 68 LEU N 3.000 . 3.000 2.880 2.806 3.005 0.005 9 0 "[ . 1 . 2]" 2
219 2 65 GLU O 2 69 LEU H 2.000 . 2.000 2.043 1.944 2.094 0.094 17 0 "[ . 1 . 2]" 2
220 2 65 GLU O 2 69 LEU N 3.000 . 3.000 2.896 2.835 2.975 . 0 0 "[ . 1 . 2]" 2
221 2 66 LYS O 2 70 VAL H 2.000 . 2.000 2.038 2.006 2.064 0.064 14 0 "[ . 1 . 2]" 2
222 2 66 LYS O 2 70 VAL N 3.000 . 3.000 3.004 2.975 3.025 0.025 14 0 "[ . 1 . 2]" 2
223 2 67 GLN O 2 71 ALA H 2.000 . 2.000 2.028 2.001 2.064 0.064 4 0 "[ . 1 . 2]" 2
224 2 67 GLN O 2 71 ALA N 3.000 . 3.000 2.916 2.864 2.966 . 0 0 "[ . 1 . 2]" 2
225 2 68 LEU O 2 72 LYS H 2.000 . 2.000 1.655 1.617 1.729 . 0 0 "[ . 1 . 2]" 2
226 2 68 LEU O 2 72 LYS N 3.000 . 3.000 2.607 2.570 2.653 . 0 0 "[ . 1 . 2]" 2
227 2 69 LEU O 2 73 GLU H 2.000 . 2.000 2.073 2.049 2.086 0.086 9 0 "[ . 1 . 2]" 2
228 2 69 LEU O 2 73 GLU N 3.000 . 3.000 3.052 3.031 3.068 0.068 9 0 "[ . 1 . 2]" 2
229 2 70 VAL O 2 74 GLY H 2.000 . 2.000 2.008 1.940 2.044 0.044 15 0 "[ . 1 . 2]" 2
230 2 70 VAL O 2 74 GLY N 3.000 . 3.000 2.912 2.828 2.961 . 0 0 "[ . 1 . 2]" 2
231 2 71 ALA O 2 75 ALA H 2.000 . 2.000 1.733 1.689 1.811 . 0 0 "[ . 1 . 2]" 2
232 2 71 ALA O 2 75 ALA N 3.000 . 3.000 2.671 2.634 2.723 . 0 0 "[ . 1 . 2]" 2
233 2 72 LYS O 2 76 GLU H 2.000 . 2.000 2.048 2.014 2.069 0.069 15 0 "[ . 1 . 2]" 2
234 2 72 LYS O 2 76 GLU N 3.000 . 3.000 3.015 2.979 3.038 0.038 3 0 "[ . 1 . 2]" 2
235 2 73 GLU O 2 77 LYS H 2.000 . 2.000 2.053 2.013 2.103 0.103 2 0 "[ . 1 . 2]" 2
236 2 73 GLU O 2 77 LYS N 3.000 . 3.000 2.921 2.842 2.983 . 0 0 "[ . 1 . 2]" 2
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