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 stop_ save_
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