NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
598042 | 2n80 | 25829 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n80 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 2769 _Distance_constraint_stats_list.Viol_count 3423 _Distance_constraint_stats_list.Viol_total 5326.679 _Distance_constraint_stats_list.Viol_max 0.864 _Distance_constraint_stats_list.Viol_rms 0.0679 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0192 _Distance_constraint_stats_list.Viol_average_violations_only 0.1556 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLY 1.214 0.246 4 0 "[ . 1]" 1 2 LEU 5.608 0.331 2 0 "[ . 1]" 1 3 TYR 0.860 0.176 2 0 "[ . 1]" 1 4 SER 1.273 0.176 2 0 "[ . 1]" 1 5 SER 3.656 0.273 2 0 "[ . 1]" 1 6 LEU 7.918 0.316 9 0 "[ . 1]" 1 7 PRO 7.879 0.604 2 2 "[ +- . 1]" 1 8 PRO 0.000 0.000 . 0 "[ . 1]" 1 9 ALA 5.698 0.559 3 1 "[ + . 1]" 1 10 LYS 5.664 0.482 2 0 "[ . 1]" 1 11 ARG 6.137 0.301 2 0 "[ . 1]" 1 12 GLU 9.178 0.559 3 1 "[ + . 1]" 1 13 GLU 11.568 0.580 8 1 "[ . + 1]" 1 14 VAL 10.024 0.369 2 0 "[ . 1]" 1 15 GLU 8.751 0.393 5 0 "[ . 1]" 1 16 LYS 3.668 0.777 1 1 "[+ . 1]" 1 17 LEU 15.437 0.777 1 2 "[+- . 1]" 1 18 LEU 6.785 0.369 2 0 "[ . 1]" 1 19 ASN 0.844 0.128 6 0 "[ . 1]" 1 20 GLY 0.000 0.000 . 0 "[ . 1]" 1 21 SER 0.346 0.161 3 0 "[ . 1]" 1 22 ALA 1.965 0.283 2 0 "[ . 1]" 1 23 GLY 0.114 0.087 9 0 "[ . 1]" 1 24 ASP 0.000 0.000 . 0 "[ . 1]" 1 25 THR 3.625 0.413 2 0 "[ . 1]" 1 26 TRP 6.169 0.522 1 1 "[+ . 1]" 1 27 ARG 2.127 0.337 4 0 "[ . 1]" 1 28 HIS 6.235 0.413 2 0 "[ . 1]" 1 29 LEU 8.162 0.645 2 1 "[ + . 1]" 1 30 ALA 2.290 0.394 1 0 "[ . 1]" 1 31 GLY 1.192 0.119 6 0 "[ . 1]" 1 32 GLU 8.659 0.645 2 1 "[ + . 1]" 1 33 LEU 4.137 0.174 3 0 "[ . 1]" 1 34 GLY 3.248 0.441 1 0 "[ . 1]" 1 35 TYR 7.940 0.499 1 0 "[ . 1]" 1 36 GLN 1.299 0.365 1 0 "[ . 1]" 1 37 PRO 1.771 0.317 1 0 "[ . 1]" 1 38 GLU 3.465 0.515 6 1 "[ .+ 1]" 1 39 HIS 5.873 0.515 6 1 "[ .+ 1]" 1 40 ILE 5.646 0.394 1 0 "[ . 1]" 1 41 ASP 4.657 0.310 5 0 "[ . 1]" 1 42 SER 5.177 0.219 1 0 "[ . 1]" 1 43 PHE 3.457 0.316 3 0 "[ . 1]" 1 44 THR 4.382 0.522 1 1 "[+ . 1]" 1 45 HIS 0.000 0.000 . 0 "[ . 1]" 1 46 GLU 6.581 0.316 3 0 "[ . 1]" 1 47 ALA 2.309 0.164 6 0 "[ . 1]" 1 48 CYS 2.247 0.233 4 0 "[ . 1]" 1 49 PRO 2.608 0.253 1 0 "[ . 1]" 1 50 VAL 2.461 0.388 6 0 "[ . 1]" 1 51 ARG 0.768 0.195 4 0 "[ . 1]" 1 52 ALA 2.783 0.233 4 0 "[ . 1]" 1 53 LEU 10.019 0.427 2 0 "[ . 1]" 1 54 LEU 4.130 0.212 7 0 "[ . 1]" 1 55 ALA 6.266 0.277 7 0 "[ . 1]" 1 56 SER 5.438 0.506 4 1 "[ +. 1]" 1 57 TRP 7.583 0.535 1 1 "[+ . 1]" 1 58 ALA 2.993 0.198 9 0 "[ . 1]" 1 59 THR 6.280 0.506 4 1 "[ +. 1]" 1 60 GLN 6.739 0.499 1 0 "[ . 1]" 1 61 ASP 3.594 0.390 8 0 "[ . 1]" 1 62 SER 1.622 0.130 1 0 "[ . 1]" 1 63 ALA 5.382 0.318 4 0 "[ . 1]" 1 64 THR 5.226 0.390 8 0 "[ . 1]" 1 65 LEU 1.722 0.229 4 0 "[ . 1]" 1 66 ASP 2.841 0.319 3 0 "[ . 1]" 1 67 ALA 7.853 0.319 3 0 "[ . 1]" 1 68 LEU 10.727 0.535 1 1 "[+ . 1]" 1 69 LEU 6.055 0.488 2 0 "[ . 1]" 1 70 ALA 5.135 0.276 3 0 "[ . 1]" 1 71 ALA 4.048 0.270 4 0 "[ . 1]" 1 72 LEU 5.294 0.488 2 0 "[ . 1]" 1 73 ARG 3.148 0.450 1 0 "[ . 1]" 1 74 ARG 4.143 0.505 2 1 "[ + . 1]" 1 75 ILE 4.531 0.322 10 0 "[ . 1]" 1 76 GLN 1.364 0.137 2 0 "[ . 1]" 1 77 ARG 10.499 0.455 6 0 "[ . 1]" 1 78 ALA 6.690 0.455 6 0 "[ . 1]" 1 79 ASP 10.808 0.559 4 2 "[ +. -1]" 1 80 LEU 13.393 0.591 2 3 "[ + *. -1]" 1 81 VAL 2.980 0.252 2 0 "[ . 1]" 1 82 GLU 8.158 0.333 5 0 "[ . 1]" 1 83 SER 8.768 0.456 5 0 "[ . 1]" 1 84 LEU 22.379 0.616 9 3 "[- . *+1]" 1 85 CYS 9.303 0.616 9 1 "[ . +1]" 1 86 SER 3.821 0.435 5 0 "[ . 1]" 1 87 GLU 6.469 0.513 5 2 "[ + -]" 1 88 SER 3.069 0.275 6 0 "[ . 1]" 1 89 THR 0.166 0.166 3 0 "[ . 1]" 1 90 ALA 0.119 0.112 4 0 "[ . 1]" 1 91 THR 0.119 0.112 4 0 "[ . 1]" 1 92 SER 1.158 0.602 5 1 "[ + 1]" 1 94 VAL 1.158 0.602 5 1 "[ + 1]" 2 1 ALA 0.000 0.000 . 0 "[ . 1]" 2 2 GLN 0.812 0.216 4 0 "[ . 1]" 2 3 LYS 0.812 0.216 4 0 "[ . 1]" 2 4 SER 3.626 0.864 1 1 "[+ . 1]" 2 5 ILE 4.262 0.523 2 1 "[ + . 1]" 2 6 GLN 5.019 0.448 10 0 "[ . 1]" 2 7 GLU 2.854 0.864 1 1 "[+ . 1]" 2 8 ILE 4.862 0.394 8 0 "[ . 1]" 2 9 GLN 3.538 0.523 2 1 "[ + . 1]" 2 10 GLU 4.870 0.637 7 3 "[ * + -]" 2 11 LEU 4.494 0.637 7 2 "[ . + -]" 2 12 ASP 6.423 0.518 5 1 "[ + 1]" 2 13 LYS 2.500 0.221 1 0 "[ . 1]" 2 14 ASP 4.342 0.395 9 0 "[ . 1]" 2 15 ASP 4.929 0.363 8 0 "[ . 1]" 2 16 GLU 3.582 0.253 8 0 "[ . 1]" 2 17 SER 6.029 0.395 9 0 "[ . 1]" 2 18 LEU 3.136 0.363 8 0 "[ . 1]" 2 19 ARG 3.547 0.541 8 1 "[ . + 1]" 2 20 LYS 4.845 0.541 8 1 "[ . + 1]" 2 21 TYR 3.828 0.211 3 0 "[ . 1]" 2 22 LYS 5.166 0.308 9 0 "[ . 1]" 2 23 GLU 8.084 0.471 6 0 "[ . 1]" 2 24 ALA 3.996 0.211 3 0 "[ . 1]" 2 25 LEU 5.968 0.471 6 0 "[ . 1]" 2 26 LEU 1.862 0.379 2 0 "[ . 1]" 2 27 GLY 0.531 0.111 4 0 "[ . 1]" 2 28 ARG 2.228 0.291 10 0 "[ . 1]" 2 29 VAL 1.966 0.379 2 0 "[ . 1]" 2 30 ALA 0.983 0.326 1 0 "[ . 1]" 2 31 VAL 1.939 0.441 1 0 "[ . 1]" 2 32 SER 1.788 0.449 5 0 "[ . 1]" 2 33 ALA 0.900 0.215 8 0 "[ . 1]" 2 34 ASP 2.669 0.449 5 0 "[ . 1]" 2 35 PRO 0.120 0.036 10 0 "[ . 1]" 2 36 ASN 1.180 0.132 3 0 "[ . 1]" 2 37 VAL 0.997 0.132 3 0 "[ . 1]" 2 38 PRO 0.000 0.000 . 0 "[ . 1]" 2 39 ASN 6.484 0.518 1 2 "[+ . -1]" 2 40 VAL 5.988 0.426 9 0 "[ . 1]" 2 41 VAL 6.517 0.492 3 0 "[ . 1]" 2 42 VAL 8.969 0.418 8 0 "[ . 1]" 2 43 THR 1.860 0.342 4 0 "[ . 1]" 2 45 LEU 0.701 0.350 6 0 "[ . 1]" 2 46 THR 7.149 0.516 10 1 "[ . +]" 2 47 LEU 1.285 0.213 6 0 "[ . 1]" 2 48 VAL 6.812 0.429 3 0 "[ . 1]" 2 49 CYS 0.072 0.049 4 0 "[ . 1]" 2 50 SER 1.042 0.184 2 0 "[ . 1]" 2 51 SER 2.808 0.382 1 0 "[ . 1]" 2 52 ALA 1.280 0.273 6 0 "[ . 1]" 2 53 PRO 7.880 0.729 1 7 "[+** ** -*1]" 2 54 GLY 0.000 0.000 . 0 "[ . 1]" 2 55 PRO 0.000 0.000 . 0 "[ . 1]" 2 56 LEU 0.608 0.261 8 0 "[ . 1]" 2 57 GLU 5.767 0.516 10 1 "[ . +]" 2 58 LEU 12.334 0.716 1 1 "[+ . 1]" 2 59 ASP 0.171 0.050 3 0 "[ . 1]" 2 60 LEU 3.573 0.577 3 1 "[ + . 1]" 2 61 THR 0.976 0.268 1 0 "[ . 1]" 2 62 GLY 0.000 0.000 . 0 "[ . 1]" 2 63 ASP 0.000 0.000 . 0 "[ . 1]" 2 64 LEU 1.433 0.219 1 0 "[ . 1]" 2 65 GLU 6.121 0.608 2 1 "[ + . 1]" 2 66 SER 6.412 0.456 4 0 "[ . 1]" 2 67 PHE 2.485 0.577 3 1 "[ + . 1]" 2 68 LYS 4.569 0.608 2 1 "[ + . 1]" 2 69 LYS 2.414 0.456 4 0 "[ . 1]" 2 70 GLN 7.092 0.604 2 4 "[ +* * -]" 2 71 SER 3.204 0.835 1 2 "[+ . -1]" 2 72 PHE 2.712 0.386 2 0 "[ . 1]" 2 73 VAL 3.207 0.611 5 2 "[ + - 1]" 2 74 LEU 2.488 0.429 9 0 "[ . 1]" 2 75 LYS 0.768 0.427 4 0 "[ . 1]" 2 76 GLU 1.178 0.410 4 0 "[ . 1]" 2 77 GLY 4.753 0.685 4 3 "[ +. *-1]" 2 78 VAL 0.000 0.000 . 0 "[ . 1]" 2 79 GLU 0.148 0.061 2 0 "[ . 1]" 2 80 TYR 0.258 0.186 4 0 "[ . 1]" 2 81 ARG 3.787 0.575 1 1 "[+ . 1]" 2 82 ILE 2.902 0.301 8 0 "[ . 1]" 2 83 LYS 1.200 0.451 5 0 "[ . 1]" 2 84 ILE 1.086 0.350 6 0 "[ . 1]" 2 85 SER 0.142 0.142 7 0 "[ . 1]" 2 86 PHE 5.335 0.748 1 2 "[+ . -1]" 2 87 ARG 2.751 0.570 9 1 "[ . +1]" 2 88 VAL 6.204 0.748 1 2 "[+ . -1]" 2 89 ASN 2.252 0.214 9 0 "[ . 1]" 2 90 ARG 3.398 0.431 1 0 "[ . 1]" 2 91 GLU 7.757 0.518 1 2 "[+ . -1]" 2 92 ILE 4.679 0.416 8 0 "[ . 1]" 2 93 VAL 9.527 0.559 7 1 "[ . + 1]" 2 94 SER 1.227 0.416 8 0 "[ . 1]" 2 95 GLY 0.000 0.000 . 0 "[ . 1]" 2 96 MET 6.621 0.460 1 0 "[ . 1]" 2 97 LYS 1.935 0.412 6 0 "[ . 1]" 2 98 TYR 4.763 0.622 9 4 "[ * *- +1]" 2 99 ILE 3.654 0.452 4 0 "[ . 1]" 2 100 GLN 7.136 0.681 1 1 "[+ . 1]" 2 101 HIS 6.470 0.738 7 4 "[ *-. +* 1]" 2 102 THR 0.922 0.159 5 0 "[ . 1]" 2 103 TYR 0.000 0.000 . 0 "[ . 1]" 2 104 ARG 1.074 0.305 4 0 "[ . 1]" 2 105 LYS 0.272 0.057 5 0 "[ . 1]" 2 106 GLY 0.272 0.057 5 0 "[ . 1]" 2 107 VAL 0.000 0.000 . 0 "[ . 1]" 2 108 LYS 0.868 0.163 7 0 "[ . 1]" 2 109 ILE 1.582 0.415 4 0 "[ . 1]" 2 110 ASP 0.000 0.000 . 0 "[ . 1]" 2 111 LYS 4.621 0.658 8 3 "[ *-. + 1]" 2 112 THR 1.794 0.548 4 2 "[ +. - 1]" 2 113 ASP 1.955 0.452 4 0 "[ . 1]" 2 114 TYR 1.766 0.548 4 2 "[ +. - 1]" 2 115 MET 3.590 0.439 8 0 "[ . 1]" 2 116 VAL 5.879 0.462 4 0 "[ . 1]" 2 117 GLY 4.292 0.569 8 1 "[ . + 1]" 2 118 SER 0.202 0.159 8 0 "[ . 1]" 2 119 TYR 6.004 0.569 8 1 "[ . + 1]" 2 120 GLY 0.298 0.298 8 0 "[ . 1]" 2 121 PRO 5.153 0.434 8 0 "[ . 1]" 2 122 ARG 0.000 0.000 . 0 "[ . 1]" 2 123 ALA 0.000 0.000 . 0 "[ . 1]" 2 124 GLU 0.000 0.000 . 0 "[ . 1]" 2 125 GLU 1.906 0.570 9 1 "[ . +1]" 2 126 TYR 3.345 0.463 8 0 "[ . 1]" 2 127 GLU 0.142 0.142 7 0 "[ . 1]" 2 128 PHE 2.028 0.465 4 0 "[ . 1]" 2 129 LEU 5.213 0.575 1 1 "[+ . 1]" 2 130 THR 1.558 0.465 4 0 "[ . 1]" 2 131 PRO 0.000 0.000 . 0 "[ . 1]" 2 132 VAL 0.176 0.176 2 0 "[ . 1]" 2 133 GLU 0.000 0.000 . 0 "[ . 1]" 2 134 GLU 5.464 0.685 4 3 "[ +. *-1]" 2 135 ALA 1.384 0.187 4 0 "[ . 1]" 2 136 PRO 0.000 0.000 . 0 "[ . 1]" 2 137 LYS 1.051 0.410 4 0 "[ . 1]" 2 138 GLY 0.000 0.000 . 0 "[ . 1]" 2 139 MET 1.622 0.224 9 0 "[ . 1]" 2 140 LEU 5.525 0.414 6 0 "[ . 1]" 2 141 ALA 3.591 0.414 6 0 "[ . 1]" 2 142 ARG 0.823 0.389 10 0 "[ . 1]" 2 143 GLY 0.463 0.282 10 0 "[ . 1]" 2 144 SER 5.270 0.571 1 1 "[+ . 1]" 2 145 TYR 5.681 0.450 8 0 "[ . 1]" 2 146 SER 0.000 0.000 . 0 "[ . 1]" 2 147 ILE 9.585 0.681 1 1 "[+ . 1]" 2 148 LYS 1.597 0.738 7 1 "[ . + 1]" 2 149 SER 3.058 0.622 9 4 "[ * *- +1]" 2 150 ARG 0.996 0.222 10 0 "[ . 1]" 2 151 PHE 0.571 0.138 5 0 "[ . 1]" 2 152 THR 1.740 0.484 3 0 "[ . 1]" 2 153 ASP 3.121 0.559 7 1 "[ . + 1]" 2 154 ASP 2.615 0.384 6 0 "[ . 1]" 2 155 ASP 1.521 0.384 6 0 "[ . 1]" 2 156 LYS 0.256 0.136 6 0 "[ . 1]" 2 157 THR 2.473 0.248 8 0 "[ . 1]" 2 158 ASP 1.048 0.428 7 0 "[ . 1]" 2 159 HIS 5.327 0.492 3 0 "[ . 1]" 2 160 LEU 2.926 0.418 8 0 "[ . 1]" 2 161 SER 0.000 0.000 . 0 "[ . 1]" 2 162 TRP 9.871 0.716 1 7 "[+ * *-***1]" 2 163 GLU 0.766 0.395 4 0 "[ . 1]" 2 164 TRP 2.790 0.395 4 0 "[ . 1]" 2 165 ASN 1.360 0.212 2 0 "[ . 1]" 2 166 LEU 4.041 0.429 9 0 "[ . 1]" 2 167 THR 10.057 0.835 1 4 "[+ * -*1]" 2 168 ILE 1.148 0.214 5 0 "[ . 1]" 2 169 LYS 1.428 0.293 1 0 "[ . 1]" 2 170 LYS 0.965 0.389 10 0 "[ . 1]" 2 171 ASP 0.877 0.427 4 0 "[ . 1]" 2 172 TRP 8.843 0.729 1 7 "[+** ** -*1]" 2 173 LYS 3.170 0.297 5 0 "[ . 1]" 2 174 ASP 1.486 0.297 5 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 GLY HA2 1 2 LEU H . . 2.800 2.528 2.224 2.940 0.140 4 0 "[ . 1]" 1 2 1 1 GLY HA2 1 65 LEU H . . 5.500 4.729 3.588 5.037 . 0 0 "[ . 1]" 1 3 1 1 GLY HA3 1 2 LEU H . . 3.400 3.243 2.363 3.646 0.246 4 0 "[ . 1]" 1 4 1 2 LEU H 1 2 LEU HB2 . . 3.400 2.340 2.214 2.475 . 0 0 "[ . 1]" 1 5 1 2 LEU H 1 2 LEU HB3 . . 3.400 3.584 3.501 3.681 0.281 3 0 "[ . 1]" 1 6 1 2 LEU H 1 2 LEU MD1 . . 5.500 3.784 3.545 4.134 . 0 0 "[ . 1]" 1 7 1 2 LEU H 1 2 LEU MD2 . . 5.500 3.985 3.382 4.299 . 0 0 "[ . 1]" 1 8 1 2 LEU H 1 3 TYR H . . 5.500 4.635 4.475 4.705 . 0 0 "[ . 1]" 1 9 1 2 LEU H 1 5 SER H . . 5.500 4.051 3.814 4.285 . 0 0 "[ . 1]" 1 10 1 2 LEU H 1 5 SER HB2 . . 5.500 2.988 2.684 3.443 . 0 0 "[ . 1]" 1 11 1 2 LEU H 1 64 THR MG . . 5.500 5.408 5.190 5.662 0.162 3 0 "[ . 1]" 1 12 1 2 LEU HA 1 3 TYR H . . 2.800 2.256 2.115 2.309 . 0 0 "[ . 1]" 1 13 1 2 LEU HA 1 64 THR H . . 5.500 4.803 4.743 4.855 . 0 0 "[ . 1]" 1 14 1 2 LEU HA 1 64 THR MG . . 3.400 3.578 3.403 3.731 0.331 2 0 "[ . 1]" 1 15 1 2 LEU HA 1 65 LEU H . . 3.400 2.922 2.743 3.329 . 0 0 "[ . 1]" 1 16 1 2 LEU HB2 1 5 SER H . . 3.400 3.245 3.059 3.359 . 0 0 "[ . 1]" 1 17 1 2 LEU HB3 1 3 TYR H . . 5.500 2.996 2.869 3.177 . 0 0 "[ . 1]" 1 18 1 2 LEU HB3 1 4 SER H . . 5.500 2.578 2.431 2.733 . 0 0 "[ . 1]" 1 19 1 2 LEU HB3 1 5 SER H . . 5.500 3.373 2.926 4.074 . 0 0 "[ . 1]" 1 20 1 2 LEU MD1 1 61 ASP QB . . 5.500 4.290 4.118 4.641 . 0 0 "[ . 1]" 1 21 1 2 LEU MD1 1 63 ALA MB . . 5.500 4.968 4.868 5.194 . 0 0 "[ . 1]" 1 22 1 2 LEU MD2 1 3 TYR H . . 5.500 3.123 2.807 3.649 . 0 0 "[ . 1]" 1 23 1 2 LEU MD2 1 5 SER HB2 . . 5.500 5.507 5.321 5.773 0.273 2 0 "[ . 1]" 1 24 1 2 LEU MD2 1 61 ASP QB . . 5.500 3.536 3.370 3.815 . 0 0 "[ . 1]" 1 25 1 2 LEU MD2 1 62 SER H . . 5.500 5.149 4.906 5.526 0.026 1 0 "[ . 1]" 1 26 1 2 LEU MD2 1 63 ALA H . . 5.500 4.026 3.709 4.466 . 0 0 "[ . 1]" 1 27 1 2 LEU MD2 1 63 ALA MB . . 5.500 3.405 3.011 3.967 . 0 0 "[ . 1]" 1 28 1 2 LEU MD2 1 64 THR HA . . 5.500 2.425 2.258 2.686 . 0 0 "[ . 1]" 1 29 1 2 LEU MD2 1 64 THR MG . . 3.400 2.189 2.023 2.297 . 0 0 "[ . 1]" 1 30 1 2 LEU MD2 1 65 LEU H . . 5.500 4.129 3.871 4.404 . 0 0 "[ . 1]" 1 31 1 2 LEU HG 1 3 TYR H . . 5.500 4.763 4.496 5.167 . 0 0 "[ . 1]" 1 32 1 2 LEU HG 1 64 THR MG . . 5.500 3.628 2.988 4.479 . 0 0 "[ . 1]" 1 33 1 3 TYR H 1 3 TYR HB2 . . 3.400 2.376 2.074 2.465 . 0 0 "[ . 1]" 1 34 1 3 TYR H 1 3 TYR HB3 . . 3.400 2.606 2.463 3.214 . 0 0 "[ . 1]" 1 35 1 3 TYR H 1 3 TYR QD . . 5.500 4.089 3.404 4.193 . 0 0 "[ . 1]" 1 36 1 3 TYR H 1 4 SER H . . 5.500 2.752 2.695 2.879 . 0 0 "[ . 1]" 1 37 1 3 TYR H 1 64 THR MG . . 5.500 4.683 4.464 4.909 . 0 0 "[ . 1]" 1 38 1 3 TYR H 1 65 LEU H . . 5.500 3.618 3.362 4.291 . 0 0 "[ . 1]" 1 39 1 3 TYR HA 1 4 SER H . . 5.500 3.528 3.483 3.570 . 0 0 "[ . 1]" 1 40 1 3 TYR HA 1 5 SER H . . 5.500 3.731 3.616 3.815 . 0 0 "[ . 1]" 1 41 1 3 TYR HA 1 6 LEU H . . 5.500 3.631 3.502 3.732 . 0 0 "[ . 1]" 1 42 1 3 TYR HA 1 6 LEU MD1 . . 5.500 2.952 2.622 3.291 . 0 0 "[ . 1]" 1 43 1 3 TYR HA 1 6 LEU HG . . 3.400 3.382 3.212 3.552 0.152 3 0 "[ . 1]" 1 44 1 3 TYR HB2 1 3 TYR QD . . 2.800 2.563 2.488 2.745 . 0 0 "[ . 1]" 1 45 1 3 TYR HB2 1 4 SER H . . 5.500 3.984 3.613 4.108 . 0 0 "[ . 1]" 1 46 1 3 TYR HB2 1 57 TRP HH2 . . 5.500 4.833 4.549 5.578 0.078 2 0 "[ . 1]" 1 47 1 3 TYR HB2 1 58 ALA MB . . 5.500 5.101 4.117 5.324 . 0 0 "[ . 1]" 1 48 1 3 TYR HB2 1 63 ALA MB . . 5.500 3.205 2.327 3.578 . 0 0 "[ . 1]" 1 49 1 3 TYR HB2 1 68 LEU MD1 . . 5.500 3.771 3.054 5.332 . 0 0 "[ . 1]" 1 50 1 3 TYR HB3 1 4 SER H . . 3.400 2.925 2.769 3.215 . 0 0 "[ . 1]" 1 51 1 3 TYR HB3 1 58 ALA MB . . 5.500 3.841 3.361 4.018 . 0 0 "[ . 1]" 1 52 1 3 TYR HB3 1 63 ALA MB . . 5.500 2.656 2.282 3.256 . 0 0 "[ . 1]" 1 53 1 3 TYR QD 1 4 SER H . . 5.500 4.197 3.980 4.819 . 0 0 "[ . 1]" 1 54 1 3 TYR QD 1 4 SER HA . . 5.500 4.510 4.165 5.676 0.176 2 0 "[ . 1]" 1 55 1 3 TYR QD 1 6 LEU MD1 . . 5.500 2.608 2.339 2.901 . 0 0 "[ . 1]" 1 56 1 3 TYR QD 1 58 ALA MB . . 2.800 2.754 2.364 2.903 0.103 2 0 "[ . 1]" 1 57 1 3 TYR QD 1 65 LEU HA . . 5.500 4.096 3.886 4.476 . 0 0 "[ . 1]" 1 58 1 3 TYR QD 1 65 LEU MD1 . . 5.500 3.846 3.458 4.749 . 0 0 "[ . 1]" 1 59 1 3 TYR QD 1 65 LEU MD2 . . 5.500 2.264 1.993 3.081 . 0 0 "[ . 1]" 1 60 1 3 TYR QD 1 68 LEU MD1 . . 5.500 3.065 2.650 3.965 . 0 0 "[ . 1]" 1 61 1 3 TYR QE 1 6 LEU MD1 . . 5.500 2.710 2.474 2.969 . 0 0 "[ . 1]" 1 62 1 3 TYR QE 1 11 ARG HD2 . . 5.500 2.618 2.316 3.809 . 0 0 "[ . 1]" 1 63 1 3 TYR QE 1 11 ARG HD3 . . 5.500 4.172 4.033 4.482 . 0 0 "[ . 1]" 1 64 1 3 TYR QE 1 14 VAL MG1 . . 3.400 3.299 3.133 3.407 0.007 4 0 "[ . 1]" 1 65 1 3 TYR QE 1 14 VAL MG2 . . 5.500 2.566 2.273 3.422 . 0 0 "[ . 1]" 1 66 1 3 TYR QE 1 54 LEU HB2 . . 5.500 4.501 4.161 5.431 . 0 0 "[ . 1]" 1 67 1 3 TYR QE 1 54 LEU HB3 . . 5.500 2.995 2.643 3.814 . 0 0 "[ . 1]" 1 68 1 3 TYR QE 1 54 LEU MD1 . . 5.500 3.406 3.040 4.805 . 0 0 "[ . 1]" 1 69 1 3 TYR QE 1 54 LEU MD2 . . 5.500 3.133 2.400 3.706 . 0 0 "[ . 1]" 1 70 1 3 TYR QE 1 58 ALA MB . . 5.500 3.845 3.329 4.413 . 0 0 "[ . 1]" 1 71 1 3 TYR QE 1 68 LEU MD1 . . 5.500 3.302 2.228 3.962 . 0 0 "[ . 1]" 1 72 1 4 SER H 1 5 SER H . . 3.400 2.792 2.704 2.872 . 0 0 "[ . 1]" 1 73 1 4 SER HA 1 5 SER H . . 3.400 3.510 3.472 3.533 0.133 5 0 "[ . 1]" 1 74 1 4 SER HA 1 6 LEU H . . 5.500 3.884 3.776 4.003 . 0 0 "[ . 1]" 1 75 1 4 SER HB2 1 5 SER H . . 5.500 4.141 3.381 4.287 . 0 0 "[ . 1]" 1 76 1 4 SER HB2 1 58 ALA MB . . 5.500 4.487 3.551 5.325 . 0 0 "[ . 1]" 1 77 1 5 SER H 1 5 SER HA . . 2.800 2.904 2.889 2.926 0.126 8 0 "[ . 1]" 1 78 1 5 SER H 1 5 SER HB2 . . 3.400 2.401 2.326 2.475 . 0 0 "[ . 1]" 1 79 1 5 SER H 1 6 LEU H . . 2.800 2.608 2.501 2.659 . 0 0 "[ . 1]" 1 80 1 5 SER HA 1 6 LEU H . . 3.400 3.504 3.484 3.519 0.119 9 0 "[ . 1]" 1 81 1 5 SER HB2 1 6 LEU H . . 5.500 4.096 4.070 4.120 . 0 0 "[ . 1]" 1 82 1 6 LEU H 1 6 LEU HA . . 2.800 2.892 2.872 2.920 0.120 2 0 "[ . 1]" 1 83 1 6 LEU H 1 6 LEU HB2 . . 3.400 2.283 2.241 2.331 . 0 0 "[ . 1]" 1 84 1 6 LEU H 1 6 LEU HB3 . . 3.400 3.548 3.529 3.575 0.175 8 0 "[ . 1]" 1 85 1 6 LEU H 1 6 LEU MD1 . . 5.500 3.682 3.577 3.756 . 0 0 "[ . 1]" 1 86 1 6 LEU H 1 6 LEU MD2 . . 5.500 3.792 3.694 3.886 . 0 0 "[ . 1]" 1 87 1 6 LEU H 1 6 LEU HG . . 3.400 2.726 2.580 2.825 . 0 0 "[ . 1]" 1 88 1 6 LEU H 1 7 PRO HD2 . . 5.500 4.888 4.839 4.915 . 0 0 "[ . 1]" 1 89 1 6 LEU H 1 7 PRO HD3 . . 5.500 5.153 5.117 5.208 . 0 0 "[ . 1]" 1 90 1 6 LEU H 1 11 ARG HD2 . . 5.500 5.451 5.385 5.500 0.000 6 0 "[ . 1]" 1 91 1 6 LEU H 1 11 ARG HD3 . . 5.500 4.680 4.511 4.808 . 0 0 "[ . 1]" 1 92 1 6 LEU HA 1 7 PRO HB2 . . 5.500 5.698 5.682 5.723 0.223 1 0 "[ . 1]" 1 93 1 6 LEU HA 1 7 PRO HD3 . . 3.400 2.389 2.355 2.442 . 0 0 "[ . 1]" 1 94 1 6 LEU HB2 1 7 PRO HD2 . . 5.500 3.865 3.825 3.889 . 0 0 "[ . 1]" 1 95 1 6 LEU HB2 1 7 PRO HD3 . . 5.500 4.883 4.854 4.904 . 0 0 "[ . 1]" 1 96 1 6 LEU HB2 1 10 LYS HB2 . . 5.500 4.133 3.961 4.237 . 0 0 "[ . 1]" 1 97 1 6 LEU HB2 1 11 ARG HG2 . . 5.500 3.327 3.127 4.023 . 0 0 "[ . 1]" 1 98 1 6 LEU HB3 1 7 PRO HB2 . . 5.500 5.531 5.456 5.585 0.085 2 0 "[ . 1]" 1 99 1 6 LEU HB3 1 7 PRO HD2 . . 5.500 2.319 2.281 2.359 . 0 0 "[ . 1]" 1 100 1 6 LEU MD1 1 10 LYS HB2 . . 5.500 3.569 3.360 3.723 . 0 0 "[ . 1]" 1 101 1 6 LEU MD1 1 10 LYS HG2 . . 5.500 4.739 4.473 4.959 . 0 0 "[ . 1]" 1 102 1 6 LEU MD1 1 10 LYS HG3 . . 5.500 3.555 3.330 3.753 . 0 0 "[ . 1]" 1 103 1 6 LEU MD1 1 11 ARG HG2 . . 5.500 3.789 3.542 4.669 . 0 0 "[ . 1]" 1 104 1 6 LEU MD1 1 65 LEU MD1 . . 5.500 3.261 2.211 3.733 . 0 0 "[ . 1]" 1 105 1 6 LEU MD1 1 65 LEU MD2 . . 5.500 2.236 2.042 2.649 . 0 0 "[ . 1]" 1 106 1 6 LEU MD2 1 7 PRO HB2 . . 5.500 5.673 5.512 5.816 0.316 9 0 "[ . 1]" 1 107 1 6 LEU MD2 1 7 PRO HD2 . . 5.500 2.163 2.049 2.291 . 0 0 "[ . 1]" 1 108 1 6 LEU MD2 1 7 PRO HD3 . . 5.500 3.020 2.858 3.133 . 0 0 "[ . 1]" 1 109 1 6 LEU MD2 1 10 LYS HB2 . . 5.500 3.289 3.075 3.488 . 0 0 "[ . 1]" 1 110 1 6 LEU MD2 1 10 LYS HG3 . . 5.500 2.246 2.121 2.523 . 0 0 "[ . 1]" 1 111 1 6 LEU MD2 1 65 LEU MD1 . . 5.500 4.026 2.674 4.698 . 0 0 "[ . 1]" 1 112 1 7 PRO HA 1 8 PRO HG2 . . 5.500 4.697 4.657 4.717 . 0 0 "[ . 1]" 1 113 1 7 PRO HB2 1 10 LYS H . . 5.500 3.249 3.121 3.389 . 0 0 "[ . 1]" 1 114 1 7 PRO HB2 1 10 LYS HG2 . . 5.500 4.749 4.574 5.035 . 0 0 "[ . 1]" 1 115 1 7 PRO HB2 1 10 LYS HG3 . . 5.500 5.197 5.058 5.384 . 0 0 "[ . 1]" 1 116 1 7 PRO HD2 1 10 LYS H . . 5.500 4.114 4.056 4.199 . 0 0 "[ . 1]" 1 117 1 7 PRO HD2 1 10 LYS HB2 . . 5.500 2.484 2.419 2.546 . 0 0 "[ . 1]" 1 118 1 7 PRO HD3 1 10 LYS H . . 5.500 5.199 5.125 5.323 . 0 0 "[ . 1]" 1 119 1 7 PRO HG2 1 9 ALA H . . 5.500 4.111 3.940 4.213 . 0 0 "[ . 1]" 1 120 1 7 PRO HG2 1 9 ALA MB . . 5.500 3.548 3.434 3.666 . 0 0 "[ . 1]" 1 121 1 7 PRO HG2 1 10 LYS H . . 5.500 2.416 2.275 2.576 . 0 0 "[ . 1]" 1 122 1 7 PRO HG2 2 70 GLN HG2 . . 5.500 5.881 5.714 6.104 0.604 2 2 "[ +- . 1]" 1 123 1 7 PRO HG3 1 8 PRO HD2 . . 5.500 4.850 4.814 4.872 . 0 0 "[ . 1]" 1 124 1 7 PRO HG3 1 9 ALA H . . 5.500 5.239 5.049 5.301 . 0 0 "[ . 1]" 1 125 1 8 PRO HA 1 9 ALA H . . 5.500 3.576 3.567 3.580 . 0 0 "[ . 1]" 1 126 1 8 PRO HA 1 10 LYS H . . 5.500 4.394 4.298 4.507 . 0 0 "[ . 1]" 1 127 1 8 PRO HA 1 11 ARG H . . 5.500 3.500 3.430 3.574 . 0 0 "[ . 1]" 1 128 1 8 PRO HA 1 12 GLU H . . 5.500 4.401 4.270 4.646 . 0 0 "[ . 1]" 1 129 1 8 PRO HB2 1 9 ALA H . . 5.500 3.303 3.225 3.411 . 0 0 "[ . 1]" 1 130 1 8 PRO HB3 1 9 ALA H . . 5.500 4.149 4.116 4.206 . 0 0 "[ . 1]" 1 131 1 8 PRO HD2 1 9 ALA H . . 5.500 2.910 2.865 2.993 . 0 0 "[ . 1]" 1 132 1 8 PRO HG2 1 9 ALA H . . 5.500 2.295 2.232 2.364 . 0 0 "[ . 1]" 1 133 1 8 PRO HG2 1 9 ALA MB . . 5.500 3.523 3.418 3.594 . 0 0 "[ . 1]" 1 134 1 8 PRO HG3 1 9 ALA H . . 5.500 3.900 3.844 3.955 . 0 0 "[ . 1]" 1 135 1 9 ALA H 1 9 ALA HA . . 2.800 2.833 2.826 2.840 0.040 6 0 "[ . 1]" 1 136 1 9 ALA H 1 9 ALA MB . . 2.800 2.195 2.147 2.219 . 0 0 "[ . 1]" 1 137 1 9 ALA H 1 10 LYS H . . 3.400 2.842 2.774 2.878 . 0 0 "[ . 1]" 1 138 1 9 ALA HA 1 10 LYS H . . 3.400 3.607 3.565 3.637 0.237 6 0 "[ . 1]" 1 139 1 9 ALA HA 1 12 GLU H . . 3.400 3.730 3.430 3.959 0.559 3 1 "[ + . 1]" 1 140 1 9 ALA HA 1 12 GLU HB2 . . 5.500 2.851 2.582 3.254 . 0 0 "[ . 1]" 1 141 1 9 ALA HA 1 13 GLU H . . 5.500 4.080 3.927 4.200 . 0 0 "[ . 1]" 1 142 1 9 ALA MB 1 10 LYS H . . 3.400 2.617 2.527 2.713 . 0 0 "[ . 1]" 1 143 1 9 ALA MB 1 10 LYS HB2 . . 5.500 4.451 4.384 4.524 . 0 0 "[ . 1]" 1 144 1 9 ALA MB 1 11 ARG H . . 5.500 4.722 4.672 4.811 . 0 0 "[ . 1]" 1 145 1 9 ALA MB 1 12 GLU H . . 5.500 4.897 4.694 5.054 . 0 0 "[ . 1]" 1 146 1 10 LYS H 1 10 LYS HA . . 2.800 2.875 2.846 2.908 0.108 4 0 "[ . 1]" 1 147 1 10 LYS H 1 10 LYS HB2 . . 3.400 2.251 2.179 2.299 . 0 0 "[ . 1]" 1 148 1 10 LYS H 1 10 LYS HD2 . . 5.500 4.605 4.442 4.771 . 0 0 "[ . 1]" 1 149 1 10 LYS H 1 10 LYS HG2 . . 5.500 3.042 2.915 3.210 . 0 0 "[ . 1]" 1 150 1 10 LYS H 1 10 LYS HG3 . . 5.500 3.950 3.892 4.014 . 0 0 "[ . 1]" 1 151 1 10 LYS H 1 11 ARG H . . 2.800 2.836 2.732 2.944 0.144 7 0 "[ . 1]" 1 152 1 10 LYS H 1 12 GLU H . . 5.500 4.460 4.258 4.622 . 0 0 "[ . 1]" 1 153 1 10 LYS HA 1 11 ARG H . . 5.500 3.585 3.567 3.602 . 0 0 "[ . 1]" 1 154 1 10 LYS HA 1 12 GLU H . . 5.500 4.614 4.536 4.721 . 0 0 "[ . 1]" 1 155 1 10 LYS HA 1 13 GLU H . . 3.400 3.336 3.163 3.518 0.118 7 0 "[ . 1]" 1 156 1 10 LYS HA 1 13 GLU HB2 . . 2.800 2.419 2.270 2.569 . 0 0 "[ . 1]" 1 157 1 10 LYS HA 1 14 VAL H . . 5.500 3.866 3.694 4.087 . 0 0 "[ . 1]" 1 158 1 10 LYS HB2 1 11 ARG H . . 3.400 2.895 2.828 2.949 . 0 0 "[ . 1]" 1 159 1 10 LYS HD2 1 13 GLU HB2 . . 3.400 3.613 3.387 3.882 0.482 2 0 "[ . 1]" 1 160 1 10 LYS HD2 1 14 VAL H . . 5.500 4.527 4.187 5.089 . 0 0 "[ . 1]" 1 161 1 11 ARG H 1 11 ARG HB2 . . 3.400 2.797 2.608 2.883 . 0 0 "[ . 1]" 1 162 1 11 ARG H 1 11 ARG HB3 . . 3.400 3.661 3.643 3.690 0.290 8 0 "[ . 1]" 1 163 1 11 ARG H 1 11 ARG HG2 . . 3.400 2.498 2.187 2.767 . 0 0 "[ . 1]" 1 164 1 11 ARG H 1 11 ARG HG3 . . 5.500 2.538 2.319 3.669 . 0 0 "[ . 1]" 1 165 1 11 ARG H 1 12 GLU H . . 2.800 2.801 2.731 2.934 0.134 2 0 "[ . 1]" 1 166 1 11 ARG H 1 12 GLU HB2 . . 5.500 4.695 4.412 4.985 . 0 0 "[ . 1]" 1 167 1 11 ARG HA 1 12 GLU H . . 3.400 3.554 3.529 3.595 0.195 6 0 "[ . 1]" 1 168 1 11 ARG HA 1 13 GLU H . . 5.500 4.472 4.325 4.577 . 0 0 "[ . 1]" 1 169 1 11 ARG HA 1 14 VAL H . . 3.400 3.514 3.339 3.701 0.301 2 0 "[ . 1]" 1 170 1 11 ARG HA 1 15 GLU H . . 5.500 4.549 4.358 4.704 . 0 0 "[ . 1]" 1 171 1 11 ARG HB2 1 12 GLU H . . 5.500 2.651 2.566 2.745 . 0 0 "[ . 1]" 1 172 1 11 ARG HB3 1 12 GLU H . . 5.500 3.809 3.618 3.917 . 0 0 "[ . 1]" 1 173 1 11 ARG HG2 1 12 GLU H . . 5.500 4.583 4.362 4.716 . 0 0 "[ . 1]" 1 174 1 12 GLU H 1 12 GLU HA . . 2.800 2.887 2.871 2.914 0.114 2 0 "[ . 1]" 1 175 1 12 GLU H 1 12 GLU HB2 . . 3.400 2.280 2.099 2.467 . 0 0 "[ . 1]" 1 176 1 12 GLU H 1 12 GLU HG2 . . 3.400 3.101 2.740 3.380 . 0 0 "[ . 1]" 1 177 1 12 GLU H 1 13 GLU H . . 2.800 2.787 2.676 2.869 0.069 8 0 "[ . 1]" 1 178 1 12 GLU HA 1 13 GLU H . . 5.500 3.613 3.594 3.635 . 0 0 "[ . 1]" 1 179 1 12 GLU HA 1 15 GLU H . . 3.400 3.578 3.461 3.678 0.278 3 0 "[ . 1]" 1 180 1 12 GLU HA 1 15 GLU HB2 . . 3.400 2.961 2.717 3.106 . 0 0 "[ . 1]" 1 181 1 12 GLU HA 1 15 GLU HB3 . . 5.500 4.587 4.290 4.728 . 0 0 "[ . 1]" 1 182 1 12 GLU HB2 1 13 GLU H . . 5.000 2.734 2.634 2.962 . 0 0 "[ . 1]" 1 183 1 12 GLU HB3 1 14 VAL H . . 5.500 5.634 5.535 5.723 0.223 2 0 "[ . 1]" 1 184 1 13 GLU H 1 13 GLU HB2 . . 3.400 2.144 2.051 2.215 . 0 0 "[ . 1]" 1 185 1 13 GLU H 1 13 GLU HG2 . . 5.000 3.779 3.115 4.130 . 0 0 "[ . 1]" 1 186 1 13 GLU H 1 13 GLU HG3 . . 5.000 4.097 3.727 4.566 . 0 0 "[ . 1]" 1 187 1 13 GLU H 1 14 VAL H . . 2.800 2.898 2.768 2.981 0.181 8 0 "[ . 1]" 1 188 1 13 GLU H 1 14 VAL MG2 . . 5.500 4.433 4.383 4.468 . 0 0 "[ . 1]" 1 189 1 13 GLU H 1 84 LEU MD2 . . 5.500 5.849 5.606 6.080 0.580 8 1 "[ . + 1]" 1 190 1 13 GLU HA 1 14 VAL H . . 3.400 3.600 3.573 3.620 0.220 4 0 "[ . 1]" 1 191 1 13 GLU HA 1 15 GLU H . . 5.500 4.164 4.090 4.304 . 0 0 "[ . 1]" 1 192 1 13 GLU HA 1 16 LYS H . . 3.400 3.277 3.119 3.530 0.130 8 0 "[ . 1]" 1 193 1 13 GLU HA 1 16 LYS HB2 . . 2.800 2.471 2.289 2.721 . 0 0 "[ . 1]" 1 194 1 13 GLU HA 1 17 LEU H . . 5.500 3.490 3.352 3.670 . 0 0 "[ . 1]" 1 195 1 13 GLU HA 2 70 GLN HG2 . . 5.500 5.284 4.902 5.596 0.096 4 0 "[ . 1]" 1 196 1 13 GLU HB2 1 14 VAL H . . 3.400 3.197 2.885 3.497 0.097 8 0 "[ . 1]" 1 197 1 13 GLU HB2 1 14 VAL MG2 . . 5.500 4.231 3.872 4.527 . 0 0 "[ . 1]" 1 198 1 13 GLU HB2 1 84 LEU MD2 . . 5.500 4.758 4.255 5.286 . 0 0 "[ . 1]" 1 199 1 13 GLU HG2 1 14 VAL H . . 5.500 5.119 4.992 5.295 . 0 0 "[ . 1]" 1 200 1 13 GLU HG2 1 84 LEU MD2 . . 5.500 5.649 5.374 5.818 0.318 3 0 "[ . 1]" 1 201 1 13 GLU HG3 1 14 VAL H . . 5.500 5.101 4.706 5.263 . 0 0 "[ . 1]" 1 202 1 13 GLU HG3 1 84 LEU MD2 . . 5.500 5.239 4.448 5.825 0.325 6 0 "[ . 1]" 1 203 1 14 VAL H 1 14 VAL HA . . 2.800 2.835 2.805 2.853 0.053 1 0 "[ . 1]" 1 204 1 14 VAL H 1 14 VAL MG2 . . 3.400 2.196 2.087 2.262 . 0 0 "[ . 1]" 1 205 1 14 VAL H 1 15 GLU H . . 2.800 2.847 2.807 2.905 0.105 10 0 "[ . 1]" 1 206 1 14 VAL H 1 17 LEU MD1 . . 5.500 5.506 5.359 5.671 0.171 2 0 "[ . 1]" 1 207 1 14 VAL H 1 18 LEU MD1 . . 5.500 5.803 5.623 5.869 0.369 2 0 "[ . 1]" 1 208 1 14 VAL H 1 84 LEU MD1 . . 5.500 4.821 4.590 4.959 . 0 0 "[ . 1]" 1 209 1 14 VAL H 1 84 LEU MD2 . . 5.500 4.012 3.923 4.099 . 0 0 "[ . 1]" 1 210 1 14 VAL HA 1 15 GLU H . . 5.500 3.570 3.535 3.596 . 0 0 "[ . 1]" 1 211 1 14 VAL HA 1 17 LEU H . . 5.500 4.109 3.980 4.218 . 0 0 "[ . 1]" 1 212 1 14 VAL HA 1 17 LEU QB . . 5.500 4.257 3.890 4.368 . 0 0 "[ . 1]" 1 213 1 14 VAL HA 1 17 LEU MD2 . . 5.500 2.032 1.979 2.097 . 0 0 "[ . 1]" 1 214 1 14 VAL HB 1 15 GLU H . . 3.400 2.864 2.783 2.942 . 0 0 "[ . 1]" 1 215 1 14 VAL MG1 1 15 GLU H . . 5.500 3.637 3.493 3.728 . 0 0 "[ . 1]" 1 216 1 14 VAL MG1 1 15 GLU HA . . 5.500 3.667 3.552 3.793 . 0 0 "[ . 1]" 1 217 1 14 VAL MG1 1 18 LEU H . . 5.500 4.594 4.499 4.670 . 0 0 "[ . 1]" 1 218 1 14 VAL MG1 1 18 LEU HG . . 5.500 3.406 3.311 3.467 . 0 0 "[ . 1]" 1 219 1 14 VAL MG1 1 84 LEU HB3 . . 5.500 4.582 4.429 4.942 . 0 0 "[ . 1]" 1 220 1 14 VAL MG1 1 84 LEU MD1 . . 5.500 2.268 2.126 2.554 . 0 0 "[ . 1]" 1 221 1 14 VAL MG2 1 15 GLU H . . 5.500 4.031 3.983 4.096 . 0 0 "[ . 1]" 1 222 1 14 VAL MG2 1 15 GLU HG3 . . 5.500 4.891 4.586 5.589 0.089 6 0 "[ . 1]" 1 223 1 14 VAL MG2 1 17 LEU MD1 . . 5.500 4.560 4.424 4.736 . 0 0 "[ . 1]" 1 224 1 14 VAL MG2 1 84 LEU MD1 . . 5.500 2.113 2.036 2.175 . 0 0 "[ . 1]" 1 225 1 14 VAL MG2 1 84 LEU MD2 . . 5.500 2.213 2.036 2.746 . 0 0 "[ . 1]" 1 226 1 15 GLU H 1 15 GLU HA . . 2.800 2.933 2.912 2.951 0.151 10 0 "[ . 1]" 1 227 1 15 GLU H 1 15 GLU HB2 . . 3.400 2.377 2.260 2.447 . 0 0 "[ . 1]" 1 228 1 15 GLU H 1 15 GLU HB3 . . 3.400 3.586 3.531 3.602 0.202 10 0 "[ . 1]" 1 229 1 15 GLU H 1 15 GLU HG2 . . 3.400 3.629 2.890 3.793 0.393 5 0 "[ . 1]" 1 230 1 15 GLU H 1 15 GLU HG3 . . 3.400 2.449 2.270 3.089 . 0 0 "[ . 1]" 1 231 1 15 GLU H 1 16 LYS H . . 2.800 2.574 2.471 2.672 . 0 0 "[ . 1]" 1 232 1 15 GLU H 1 16 LYS HB2 . . 5.500 4.521 4.387 4.721 . 0 0 "[ . 1]" 1 233 1 15 GLU H 1 18 LEU MD1 . . 5.500 4.559 4.301 4.670 . 0 0 "[ . 1]" 1 234 1 15 GLU H 1 54 LEU MD1 . . 5.500 3.882 3.485 4.673 . 0 0 "[ . 1]" 1 235 1 15 GLU HA 1 16 LYS H . . 5.500 3.591 3.578 3.608 . 0 0 "[ . 1]" 1 236 1 15 GLU HA 1 17 LEU H . . 5.500 4.725 4.585 4.870 . 0 0 "[ . 1]" 1 237 1 15 GLU HA 1 18 LEU H . . 5.500 3.623 3.456 3.837 . 0 0 "[ . 1]" 1 238 1 15 GLU HA 1 18 LEU HB2 . . 5.500 2.574 2.427 2.818 . 0 0 "[ . 1]" 1 239 1 15 GLU HA 1 18 LEU HB3 . . 5.500 4.013 3.826 4.331 . 0 0 "[ . 1]" 1 240 1 15 GLU HA 1 18 LEU MD1 . . 5.500 2.915 2.712 3.141 . 0 0 "[ . 1]" 1 241 1 15 GLU HA 1 19 ASN H . . 5.500 4.428 4.181 4.778 . 0 0 "[ . 1]" 1 242 1 15 GLU HA 1 50 VAL MG1 . . 3.400 3.205 2.948 3.371 . 0 0 "[ . 1]" 1 243 1 15 GLU HB2 1 16 LYS H . . 5.500 2.529 2.303 2.686 . 0 0 "[ . 1]" 1 244 1 15 GLU HB2 1 18 LEU MD1 . . 5.500 5.478 5.256 5.702 0.202 1 0 "[ . 1]" 1 245 1 15 GLU HB2 1 50 VAL MG1 . . 5.500 4.709 4.093 5.246 . 0 0 "[ . 1]" 1 246 1 15 GLU HB3 1 16 LYS H . . 5.500 3.525 3.366 3.678 . 0 0 "[ . 1]" 1 247 1 15 GLU HB3 1 50 VAL MG1 . . 5.500 3.261 2.537 4.015 . 0 0 "[ . 1]" 1 248 1 15 GLU HB3 1 54 LEU MD1 . . 5.500 4.345 4.269 4.387 . 0 0 "[ . 1]" 1 249 1 15 GLU HG2 1 50 VAL MG1 . . 5.500 3.407 2.941 4.037 . 0 0 "[ . 1]" 1 250 1 15 GLU HG2 1 54 LEU MD1 . . 5.500 2.382 2.287 2.487 . 0 0 "[ . 1]" 1 251 1 15 GLU HG3 1 50 VAL MG1 . . 5.500 4.741 4.382 5.123 . 0 0 "[ . 1]" 1 252 1 15 GLU HG3 1 54 LEU MD1 . . 5.500 2.410 2.137 3.721 . 0 0 "[ . 1]" 1 253 1 16 LYS H 1 16 LYS HA . . 2.800 2.876 2.851 2.892 0.092 8 0 "[ . 1]" 1 254 1 16 LYS H 1 16 LYS HB2 . . 3.400 2.262 2.138 2.388 . 0 0 "[ . 1]" 1 255 1 16 LYS H 1 16 LYS HG2 . . 5.500 3.710 2.843 4.255 . 0 0 "[ . 1]" 1 256 1 16 LYS H 1 16 LYS HG3 . . 5.500 3.072 2.383 4.134 . 0 0 "[ . 1]" 1 257 1 16 LYS H 1 17 LEU H . . 2.800 2.827 2.775 2.901 0.101 9 0 "[ . 1]" 1 258 1 16 LYS HA 1 17 LEU H . . 5.500 3.599 3.576 3.621 . 0 0 "[ . 1]" 1 259 1 16 LYS HA 1 18 LEU H . . 5.500 4.383 4.318 4.596 . 0 0 "[ . 1]" 1 260 1 16 LYS HA 1 19 ASN H . . 5.500 3.518 3.422 3.649 . 0 0 "[ . 1]" 1 261 1 16 LYS HA 1 19 ASN HB2 . . 3.400 3.186 2.980 3.378 . 0 0 "[ . 1]" 1 262 1 16 LYS HA 1 19 ASN HB3 . . 5.500 4.390 3.264 4.836 . 0 0 "[ . 1]" 1 263 1 16 LYS HB2 1 17 LEU H . . 3.400 2.894 2.654 3.241 . 0 0 "[ . 1]" 1 264 1 16 LYS HB2 2 57 GLU HG2 . . 5.500 5.466 5.143 5.711 0.211 1 0 "[ . 1]" 1 265 1 16 LYS HB2 2 57 GLU HG3 . . 5.500 5.418 5.106 5.673 0.173 3 0 "[ . 1]" 1 266 1 16 LYS HB3 1 17 LEU QB . . 6.000 4.497 4.271 4.753 . 0 0 "[ . 1]" 1 267 1 16 LYS HE2 1 17 LEU QB . . 6.000 6.092 5.779 6.777 0.777 1 1 "[+ . 1]" 1 268 1 17 LEU H 1 17 LEU HA . . 2.800 2.897 2.863 2.915 0.115 9 0 "[ . 1]" 1 269 1 17 LEU H 1 17 LEU QB . . 3.400 2.248 2.109 2.334 . 0 0 "[ . 1]" 1 270 1 17 LEU H 1 17 LEU MD1 . . 5.500 4.128 4.018 4.229 . 0 0 "[ . 1]" 1 271 1 17 LEU H 1 17 LEU HG . . 5.000 4.204 4.035 4.335 . 0 0 "[ . 1]" 1 272 1 17 LEU H 1 18 LEU H . . 2.800 2.652 2.601 2.722 . 0 0 "[ . 1]" 1 273 1 17 LEU HA 1 18 LEU H . . 5.500 3.538 3.511 3.596 . 0 0 "[ . 1]" 1 274 1 17 LEU QB 1 18 LEU H . . 3.400 3.631 3.513 3.695 0.295 9 0 "[ . 1]" 1 275 1 17 LEU QB 1 80 LEU MD2 . . 6.000 3.955 3.737 4.322 . 0 0 "[ . 1]" 1 276 1 17 LEU QB 2 56 LEU MD2 . . 5.500 3.504 3.024 3.875 . 0 0 "[ . 1]" 1 277 1 17 LEU QB 2 58 LEU MD1 . . 5.500 4.845 4.690 4.987 . 0 0 "[ . 1]" 1 278 1 17 LEU MD1 1 18 LEU H . . 5.500 4.638 4.469 4.766 . 0 0 "[ . 1]" 1 279 1 17 LEU MD1 1 83 SER HB2 . . 3.400 3.390 3.223 3.782 0.382 1 0 "[ . 1]" 1 280 1 17 LEU MD1 1 84 LEU H . . 5.500 4.781 4.533 4.981 . 0 0 "[ . 1]" 1 281 1 17 LEU MD1 2 56 LEU MD2 . . 5.500 4.794 4.380 5.150 . 0 0 "[ . 1]" 1 282 1 17 LEU MD1 2 58 LEU MD1 . . 5.500 5.297 5.112 5.508 0.008 9 0 "[ . 1]" 1 283 1 17 LEU MD1 2 72 PHE QD . . 5.500 3.939 3.455 4.398 . 0 0 "[ . 1]" 1 284 1 17 LEU MD1 2 73 VAL HB . . 5.500 4.241 2.912 4.684 . 0 0 "[ . 1]" 1 285 1 17 LEU MD1 2 167 THR MG . . 5.500 4.433 4.118 4.693 . 0 0 "[ . 1]" 1 286 1 17 LEU MD2 1 80 LEU HB2 . . 5.500 5.804 5.652 6.091 0.591 2 1 "[ + . 1]" 1 287 1 17 LEU MD2 2 58 LEU MD1 . . 6.000 6.349 6.203 6.424 0.424 9 0 "[ . 1]" 1 288 1 17 LEU MD2 2 58 LEU MD2 . . 5.500 5.675 5.412 5.999 0.499 10 0 "[ . 1]" 1 289 1 17 LEU MD2 2 72 PHE QD . . 5.500 4.991 4.851 5.237 . 0 0 "[ . 1]" 1 290 1 17 LEU MD2 2 167 THR MG . . 6.000 6.073 5.834 6.369 0.369 8 0 "[ . 1]" 1 291 1 17 LEU HG 1 80 LEU MD2 . . 6.000 2.398 2.251 2.946 . 0 0 "[ . 1]" 1 292 1 18 LEU H 1 18 LEU HB2 . . 3.400 2.237 2.180 2.299 . 0 0 "[ . 1]" 1 293 1 18 LEU H 1 18 LEU MD1 . . 5.500 3.749 3.669 3.818 . 0 0 "[ . 1]" 1 294 1 18 LEU H 1 18 LEU MD2 . . 5.500 4.027 3.942 4.097 . 0 0 "[ . 1]" 1 295 1 18 LEU H 1 18 LEU HG . . 5.500 2.983 2.840 3.110 . 0 0 "[ . 1]" 1 296 1 18 LEU H 1 19 ASN H . . 2.800 2.776 2.708 2.928 0.128 6 0 "[ . 1]" 1 297 1 18 LEU H 1 50 VAL MG1 . . 5.500 4.945 4.833 5.092 . 0 0 "[ . 1]" 1 298 1 18 LEU HA 1 19 ASN H . . 5.500 3.563 3.533 3.625 . 0 0 "[ . 1]" 1 299 1 18 LEU HB2 1 50 VAL MG1 . . 5.500 3.383 3.051 3.557 . 0 0 "[ . 1]" 1 300 1 18 LEU HB3 1 19 ASN H . . 5.500 3.564 3.319 3.782 . 0 0 "[ . 1]" 1 301 1 18 LEU HB3 1 50 VAL MG1 . . 5.500 3.119 2.569 3.375 . 0 0 "[ . 1]" 1 302 1 18 LEU HB3 1 50 VAL MG2 . . 5.500 2.385 2.102 3.744 . 0 0 "[ . 1]" 1 303 1 18 LEU MD1 1 19 ASN H . . 5.500 4.973 4.781 5.116 . 0 0 "[ . 1]" 1 304 1 18 LEU MD1 1 50 VAL MG1 . . 5.500 3.601 2.716 3.774 . 0 0 "[ . 1]" 1 305 1 18 LEU MD2 1 19 ASN H . . 5.500 4.830 4.724 4.944 . 0 0 "[ . 1]" 1 306 1 18 LEU MD2 1 22 ALA MB . . 5.500 4.969 4.387 5.548 0.048 2 0 "[ . 1]" 1 307 1 18 LEU MD2 1 25 THR MG . . 5.500 2.391 2.154 3.039 . 0 0 "[ . 1]" 1 308 1 18 LEU MD2 1 54 LEU MD2 . . 5.500 5.558 5.322 5.639 0.139 4 0 "[ . 1]" 1 309 1 18 LEU HG 1 19 ASN H . . 5.500 5.010 4.952 5.066 . 0 0 "[ . 1]" 1 310 1 18 LEU HG 1 25 THR MG . . 5.500 4.782 4.491 5.490 . 0 0 "[ . 1]" 1 311 1 18 LEU HG 1 50 VAL MG1 . . 5.500 5.362 4.731 5.539 0.039 10 0 "[ . 1]" 1 312 1 19 ASN H 1 19 ASN HA . . 2.800 2.868 2.838 2.901 0.101 10 0 "[ . 1]" 1 313 1 19 ASN H 1 19 ASN HB2 . . 3.400 2.361 2.258 2.477 . 0 0 "[ . 1]" 1 314 1 19 ASN H 1 20 GLY H . . 3.400 2.774 2.689 2.866 . 0 0 "[ . 1]" 1 315 1 19 ASN H 1 50 VAL MG1 . . 5.500 4.007 3.631 4.154 . 0 0 "[ . 1]" 1 316 1 19 ASN HA 1 20 GLY H . . 5.500 3.504 3.482 3.582 . 0 0 "[ . 1]" 1 317 1 19 ASN HA 1 50 VAL MG1 . . 5.500 3.944 3.542 4.306 . 0 0 "[ . 1]" 1 318 1 19 ASN HB2 1 20 GLY H . . 5.500 3.459 2.952 4.126 . 0 0 "[ . 1]" 1 319 1 19 ASN HB2 1 50 VAL MG1 . . 5.500 4.655 3.966 5.287 . 0 0 "[ . 1]" 1 320 1 19 ASN HB3 1 20 GLY H . . 5.500 3.615 2.760 4.016 . 0 0 "[ . 1]" 1 321 1 19 ASN HB3 1 50 VAL MG1 . . 5.500 5.271 4.881 5.410 . 0 0 "[ . 1]" 1 322 1 20 GLY H 1 21 SER H . . 5.500 2.440 2.222 2.717 . 0 0 "[ . 1]" 1 323 1 20 GLY HA2 1 21 SER H . . 5.500 3.515 3.338 3.600 . 0 0 "[ . 1]" 1 324 1 20 GLY HA3 1 21 SER H . . 5.500 3.044 2.820 3.385 . 0 0 "[ . 1]" 1 325 1 21 SER H 1 21 SER HB2 . . 3.400 2.472 2.293 2.787 . 0 0 "[ . 1]" 1 326 1 21 SER H 1 22 ALA H . . 5.500 3.710 2.311 4.686 . 0 0 "[ . 1]" 1 327 1 21 SER HA 1 22 ALA H . . 3.400 2.842 2.288 3.561 0.161 3 0 "[ . 1]" 1 328 1 21 SER HA 2 172 TRP HB3 . . 5.500 3.593 3.397 3.908 . 0 0 "[ . 1]" 1 329 1 21 SER HB2 1 22 ALA H . . 5.500 3.968 3.014 4.671 . 0 0 "[ . 1]" 1 330 1 21 SER HB2 1 22 ALA MB . . 5.500 5.109 4.132 5.462 . 0 0 "[ . 1]" 1 331 1 21 SER HB2 1 25 THR MG . . 5.500 4.376 3.686 5.245 . 0 0 "[ . 1]" 1 332 1 21 SER HB2 1 80 LEU MD1 . . 5.500 2.896 2.200 3.678 . 0 0 "[ . 1]" 1 333 1 21 SER HB2 1 80 LEU MD2 . . 5.500 4.481 4.057 5.420 . 0 0 "[ . 1]" 1 334 1 22 ALA H 1 22 ALA MB . . 3.400 2.706 2.207 3.149 . 0 0 "[ . 1]" 1 335 1 22 ALA HA 1 23 GLY H . . 5.500 2.744 2.123 3.586 . 0 0 "[ . 1]" 1 336 1 22 ALA MB 1 23 GLY H . . 5.500 2.793 2.445 3.069 . 0 0 "[ . 1]" 1 337 1 22 ALA MB 1 25 THR H . . 5.500 2.763 2.462 3.150 . 0 0 "[ . 1]" 1 338 1 22 ALA MB 1 25 THR MG . . 5.500 3.840 2.313 4.156 . 0 0 "[ . 1]" 1 339 1 22 ALA MB 1 80 LEU MD1 . . 5.500 5.654 5.479 5.783 0.283 2 0 "[ . 1]" 1 340 1 23 GLY HA2 1 24 ASP H . . 5.500 3.420 3.247 3.561 . 0 0 "[ . 1]" 1 341 1 23 GLY HA2 1 25 THR H . . 5.500 4.186 3.751 4.475 . 0 0 "[ . 1]" 1 342 1 23 GLY HA2 1 26 TRP HE1 . . 5.500 4.742 4.050 5.176 . 0 0 "[ . 1]" 1 343 1 23 GLY HA3 1 26 TRP HD1 . . 5.500 5.366 4.837 5.587 0.087 9 0 "[ . 1]" 1 344 1 24 ASP H 1 25 THR H . . 5.500 2.350 2.116 2.572 . 0 0 "[ . 1]" 1 345 1 24 ASP HA 1 25 THR H . . 5.500 3.272 3.219 3.403 . 0 0 "[ . 1]" 1 346 1 24 ASP HA 1 26 TRP H . . 5.500 3.653 3.490 3.770 . 0 0 "[ . 1]" 1 347 1 24 ASP HA 1 26 TRP HE1 . . 5.500 2.834 2.557 3.091 . 0 0 "[ . 1]" 1 348 1 24 ASP HA 1 27 ARG H . . 5.500 3.116 2.893 3.293 . 0 0 "[ . 1]" 1 349 1 24 ASP HB2 1 25 THR H . . 5.500 4.577 4.428 4.625 . 0 0 "[ . 1]" 1 350 1 24 ASP HB2 1 27 ARG HB2 . . 5.500 2.744 2.538 3.215 . 0 0 "[ . 1]" 1 351 1 24 ASP HB2 1 27 ARG HB3 . . 5.500 3.010 2.567 3.748 . 0 0 "[ . 1]" 1 352 1 24 ASP HB2 1 27 ARG HD2 . . 5.500 3.032 2.434 4.347 . 0 0 "[ . 1]" 1 353 1 24 ASP HB2 1 27 ARG HG3 . . 5.500 4.489 4.225 4.945 . 0 0 "[ . 1]" 1 354 1 24 ASP HB2 1 28 HIS HD2 . . 5.500 3.917 3.678 4.502 . 0 0 "[ . 1]" 1 355 1 25 THR H 1 25 THR HA . . 2.800 2.830 2.788 2.870 0.070 9 0 "[ . 1]" 1 356 1 25 THR H 1 25 THR HB . . 3.400 2.678 2.352 3.521 0.121 9 0 "[ . 1]" 1 357 1 25 THR H 1 26 TRP H . . 2.800 2.834 2.731 2.926 0.126 8 0 "[ . 1]" 1 358 1 25 THR HA 1 26 TRP H . . 5.500 3.560 3.539 3.588 . 0 0 "[ . 1]" 1 359 1 25 THR HA 1 27 ARG H . . 5.500 4.066 3.975 4.176 . 0 0 "[ . 1]" 1 360 1 25 THR HA 1 28 HIS H . . 5.500 3.533 3.324 3.646 . 0 0 "[ . 1]" 1 361 1 25 THR HA 1 28 HIS HD2 . . 3.400 3.631 3.253 3.813 0.413 2 0 "[ . 1]" 1 362 1 25 THR HA 1 29 LEU H . . 5.500 4.490 4.232 4.590 . 0 0 "[ . 1]" 1 363 1 25 THR HB 1 26 TRP H . . 3.400 2.723 2.427 3.251 . 0 0 "[ . 1]" 1 364 1 25 THR MG 1 26 TRP H . . 5.500 3.595 3.217 4.210 . 0 0 "[ . 1]" 1 365 1 25 THR MG 1 28 HIS H . . 5.500 4.651 4.477 4.915 . 0 0 "[ . 1]" 1 366 1 25 THR MG 1 29 LEU H . . 5.500 4.212 3.920 5.071 . 0 0 "[ . 1]" 1 367 1 25 THR MG 1 29 LEU MD1 . . 5.500 3.684 3.148 4.896 . 0 0 "[ . 1]" 1 368 1 25 THR MG 1 72 LEU MD2 . . 5.500 3.615 2.953 4.783 . 0 0 "[ . 1]" 1 369 1 25 THR MG 1 75 ILE MD . . 3.400 2.715 2.199 3.443 0.043 2 0 "[ . 1]" 1 370 1 25 THR MG 1 75 ILE MG . . 5.500 4.850 4.522 5.316 . 0 0 "[ . 1]" 1 371 1 25 THR MG 1 77 ARG HG2 . . 5.500 3.717 3.282 4.067 . 0 0 "[ . 1]" 1 372 1 25 THR MG 1 80 LEU MD1 . . 3.400 3.176 2.891 3.613 0.213 9 0 "[ . 1]" 1 373 1 26 TRP H 1 26 TRP HD1 . . 3.400 2.568 2.502 2.630 . 0 0 "[ . 1]" 1 374 1 26 TRP H 1 26 TRP HE1 . . 5.500 4.555 4.419 4.658 . 0 0 "[ . 1]" 1 375 1 26 TRP H 1 27 ARG H . . 3.400 2.708 2.630 2.753 . 0 0 "[ . 1]" 1 376 1 26 TRP H 1 50 VAL MG1 . . 5.500 5.354 4.881 5.590 0.090 4 0 "[ . 1]" 1 377 1 26 TRP HA 1 27 ARG H . . 5.500 3.519 3.504 3.532 . 0 0 "[ . 1]" 1 378 1 26 TRP HA 1 29 LEU H . . 3.400 3.338 3.285 3.404 0.004 9 0 "[ . 1]" 1 379 1 26 TRP HA 1 29 LEU HB2 . . 5.500 2.391 2.315 2.501 . 0 0 "[ . 1]" 1 380 1 26 TRP HA 1 29 LEU HB3 . . 5.500 3.619 3.074 3.940 . 0 0 "[ . 1]" 1 381 1 26 TRP HA 1 30 ALA H . . 5.500 4.035 3.959 4.123 . 0 0 "[ . 1]" 1 382 1 26 TRP HE1 1 27 ARG HD2 . . 5.500 5.165 4.638 5.518 0.018 8 0 "[ . 1]" 1 383 1 26 TRP HE1 1 27 ARG HG3 . . 5.500 5.314 4.866 5.837 0.337 4 0 "[ . 1]" 1 384 1 26 TRP HE1 1 44 THR MG . . 5.500 4.907 4.301 5.950 0.450 8 0 "[ . 1]" 1 385 1 26 TRP HE1 1 49 PRO HB2 . . 5.500 4.427 4.059 4.703 . 0 0 "[ . 1]" 1 386 1 26 TRP HE1 1 49 PRO HB3 . . 5.500 5.270 5.036 5.500 . 0 0 "[ . 1]" 1 387 1 26 TRP HE1 1 49 PRO HG2 . . 5.500 2.826 2.399 3.736 . 0 0 "[ . 1]" 1 388 1 26 TRP HE1 1 53 LEU MD1 . . 5.500 5.829 5.753 5.927 0.427 2 0 "[ . 1]" 1 389 1 26 TRP HE3 1 27 ARG HA . . 5.500 2.858 2.645 3.075 . 0 0 "[ . 1]" 1 390 1 26 TRP HE3 1 30 ALA MB . . 5.500 2.841 2.523 3.097 . 0 0 "[ . 1]" 1 391 1 26 TRP HE3 1 40 ILE MG . . 5.500 4.345 3.994 4.558 . 0 0 "[ . 1]" 1 392 1 26 TRP HE3 1 53 LEU MD1 . . 5.500 2.022 1.990 2.043 . 0 0 "[ . 1]" 1 393 1 26 TRP HE3 1 53 LEU MD2 . . 5.500 4.433 4.290 4.574 . 0 0 "[ . 1]" 1 394 1 26 TRP HH2 1 40 ILE MG . . 5.500 2.455 2.260 3.028 . 0 0 "[ . 1]" 1 395 1 26 TRP HH2 1 43 PHE HB2 . . 5.500 2.459 2.358 2.604 . 0 0 "[ . 1]" 1 396 1 26 TRP HH2 1 43 PHE HB3 . . 5.500 3.024 2.795 3.128 . 0 0 "[ . 1]" 1 397 1 26 TRP HH2 1 44 THR H . . 5.500 2.769 2.598 2.968 . 0 0 "[ . 1]" 1 398 1 26 TRP HH2 1 44 THR HA . . 5.500 3.724 3.303 4.129 . 0 0 "[ . 1]" 1 399 1 26 TRP HH2 1 44 THR HB . . 5.500 4.515 2.846 5.162 . 0 0 "[ . 1]" 1 400 1 26 TRP HH2 1 44 THR MG . . 5.500 2.560 2.120 4.138 . 0 0 "[ . 1]" 1 401 1 26 TRP HZ2 1 27 ARG HD2 . . 5.500 3.944 3.173 4.348 . 0 0 "[ . 1]" 1 402 1 26 TRP HZ2 1 44 THR HA . . 3.400 2.493 2.283 3.022 . 0 0 "[ . 1]" 1 403 1 26 TRP HZ2 1 44 THR HB . . 5.500 3.975 2.229 4.960 . 0 0 "[ . 1]" 1 404 1 26 TRP HZ2 1 44 THR MG . . 3.400 2.785 2.251 3.922 0.522 1 1 "[+ . 1]" 1 405 1 26 TRP HZ3 1 30 ALA MB . . 5.500 3.178 2.724 3.558 . 0 0 "[ . 1]" 1 406 1 26 TRP HZ3 1 40 ILE MG . . 3.400 2.584 2.251 2.769 . 0 0 "[ . 1]" 1 407 1 26 TRP HZ3 1 43 PHE QD . . 5.500 2.829 2.621 3.237 . 0 0 "[ . 1]" 1 408 1 27 ARG H 1 28 HIS H . . 2.800 2.613 2.559 2.666 . 0 0 "[ . 1]" 1 409 1 27 ARG HA 1 28 HIS H . . 5.500 3.533 3.514 3.545 . 0 0 "[ . 1]" 1 410 1 27 ARG HA 1 30 ALA H . . 5.500 3.575 3.447 3.660 . 0 0 "[ . 1]" 1 411 1 27 ARG HA 1 30 ALA MB . . 3.400 2.801 2.741 2.914 . 0 0 "[ . 1]" 1 412 1 27 ARG HA 1 31 GLY H . . 5.500 4.373 4.170 4.497 . 0 0 "[ . 1]" 1 413 1 27 ARG HA 1 40 ILE MD . . 5.500 3.798 3.338 4.188 . 0 0 "[ . 1]" 1 414 1 27 ARG HA 1 40 ILE MG . . 3.400 3.171 2.899 3.449 0.049 4 0 "[ . 1]" 1 415 1 27 ARG HB2 1 27 ARG HD3 . . 3.400 2.988 2.219 3.248 . 0 0 "[ . 1]" 1 416 1 27 ARG HB2 1 28 HIS H . . 3.400 3.553 3.217 3.668 0.268 8 0 "[ . 1]" 1 417 1 27 ARG HB3 1 28 HIS H . . 5.500 2.699 2.588 3.028 . 0 0 "[ . 1]" 1 418 1 27 ARG HB3 1 40 ILE MG . . 5.500 4.304 4.044 4.420 . 0 0 "[ . 1]" 1 419 1 27 ARG HD2 1 27 ARG HG3 . . 2.800 2.399 2.281 2.526 . 0 0 "[ . 1]" 1 420 1 27 ARG HD2 1 40 ILE MG . . 5.500 3.515 2.935 3.755 . 0 0 "[ . 1]" 1 421 1 27 ARG HD3 1 40 ILE MG . . 5.500 3.905 3.690 4.017 . 0 0 "[ . 1]" 1 422 1 27 ARG HG2 1 28 HIS H . . 5.500 4.500 4.352 4.999 . 0 0 "[ . 1]" 1 423 1 27 ARG HG2 1 40 ILE MG . . 3.400 2.376 2.137 2.525 . 0 0 "[ . 1]" 1 424 1 27 ARG HG3 1 40 ILE MG . . 5.500 2.076 2.017 2.256 . 0 0 "[ . 1]" 1 425 1 28 HIS H 1 28 HIS HA . . 2.800 2.905 2.889 2.924 0.124 8 0 "[ . 1]" 1 426 1 28 HIS H 1 28 HIS HB2 . . 3.400 2.426 2.372 2.473 . 0 0 "[ . 1]" 1 427 1 28 HIS H 1 28 HIS HD2 . . 5.500 2.251 2.175 2.321 . 0 0 "[ . 1]" 1 428 1 28 HIS H 1 29 LEU H . . 2.800 2.651 2.561 2.760 . 0 0 "[ . 1]" 1 429 1 28 HIS H 1 29 LEU HB2 . . 5.500 4.519 4.439 4.588 . 0 0 "[ . 1]" 1 430 1 28 HIS H 1 30 ALA MB . . 5.500 4.852 4.711 4.927 . 0 0 "[ . 1]" 1 431 1 28 HIS H 1 75 ILE MD . . 5.500 4.500 4.239 5.005 . 0 0 "[ . 1]" 1 432 1 28 HIS H 1 75 ILE MG . . 5.500 4.705 4.601 4.860 . 0 0 "[ . 1]" 1 433 1 28 HIS HA 1 28 HIS HD2 . . 3.400 3.495 3.384 3.627 0.227 7 0 "[ . 1]" 1 434 1 28 HIS HA 1 29 LEU H . . 5.500 3.618 3.600 3.626 . 0 0 "[ . 1]" 1 435 1 28 HIS HA 1 31 GLY H . . 5.500 3.654 3.570 3.762 . 0 0 "[ . 1]" 1 436 1 28 HIS HB2 1 28 HIS HD2 . . 3.400 3.156 3.120 3.183 . 0 0 "[ . 1]" 1 437 1 28 HIS HB2 1 29 LEU H . . 3.400 2.625 2.570 2.710 . 0 0 "[ . 1]" 1 438 1 28 HIS HB2 1 75 ILE HB . . 3.400 3.297 3.197 3.450 0.050 2 0 "[ . 1]" 1 439 1 28 HIS HB2 1 75 ILE MG . . 3.400 3.039 2.874 3.309 . 0 0 "[ . 1]" 1 440 1 28 HIS HB3 1 75 ILE MD . . 3.400 3.139 2.810 3.268 . 0 0 "[ . 1]" 1 441 1 29 LEU H 1 29 LEU HA . . 2.800 2.833 2.803 2.858 0.058 8 0 "[ . 1]" 1 442 1 29 LEU H 1 29 LEU HB2 . . 3.400 2.192 2.075 2.317 . 0 0 "[ . 1]" 1 443 1 29 LEU H 1 29 LEU HB3 . . 3.400 3.409 3.125 3.584 0.184 10 0 "[ . 1]" 1 444 1 29 LEU H 1 29 LEU MD1 . . 5.500 3.990 3.846 4.251 . 0 0 "[ . 1]" 1 445 1 29 LEU H 1 29 LEU MD2 . . 5.500 4.061 3.837 4.275 . 0 0 "[ . 1]" 1 446 1 29 LEU H 1 29 LEU HG . . 5.500 3.308 2.886 3.874 . 0 0 "[ . 1]" 1 447 1 29 LEU H 1 30 ALA H . . 5.500 2.920 2.887 2.965 . 0 0 "[ . 1]" 1 448 1 29 LEU H 1 75 ILE MD . . 3.400 3.041 2.878 3.351 . 0 0 "[ . 1]" 1 449 1 29 LEU H 1 75 ILE MG . . 5.500 3.517 3.331 3.664 . 0 0 "[ . 1]" 1 450 1 29 LEU HA 1 30 ALA H . . 5.500 3.599 3.586 3.613 . 0 0 "[ . 1]" 1 451 1 29 LEU HA 1 31 GLY H . . 5.500 4.615 4.558 4.645 . 0 0 "[ . 1]" 1 452 1 29 LEU HA 1 32 GLU H . . 3.400 3.533 3.409 3.633 0.233 2 0 "[ . 1]" 1 453 1 29 LEU HA 1 32 GLU HB2 . . 5.500 2.971 2.754 3.352 . 0 0 "[ . 1]" 1 454 1 29 LEU HA 1 32 GLU HB3 . . 5.500 4.634 4.374 5.039 . 0 0 "[ . 1]" 1 455 1 29 LEU HA 1 33 LEU HB2 . . 5.500 4.964 4.874 5.130 . 0 0 "[ . 1]" 1 456 1 29 LEU HA 1 75 ILE MD . . 5.500 2.701 2.383 3.053 . 0 0 "[ . 1]" 1 457 1 29 LEU HA 1 75 ILE MG . . 3.400 2.848 2.317 3.160 . 0 0 "[ . 1]" 1 458 1 29 LEU HB2 1 30 ALA H . . 3.400 3.012 2.759 3.377 . 0 0 "[ . 1]" 1 459 1 29 LEU HB2 1 32 GLU HB2 . . 5.500 5.867 5.693 6.145 0.645 2 1 "[ + . 1]" 1 460 1 29 LEU HB2 1 75 ILE MD . . 5.500 3.502 2.958 3.819 . 0 0 "[ . 1]" 1 461 1 29 LEU HB3 1 75 ILE MD . . 5.500 4.226 4.091 4.389 . 0 0 "[ . 1]" 1 462 1 29 LEU MD1 1 30 ALA H . . 5.500 4.605 4.462 4.685 . 0 0 "[ . 1]" 1 463 1 29 LEU MD1 1 33 LEU MD2 . . 5.500 3.587 3.059 3.729 . 0 0 "[ . 1]" 1 464 1 29 LEU MD1 1 53 LEU MD2 . . 5.500 4.185 3.564 4.428 . 0 0 "[ . 1]" 1 465 1 29 LEU MD1 1 54 LEU MD2 . . 5.500 3.694 3.143 4.259 . 0 0 "[ . 1]" 1 466 1 29 LEU MD1 1 68 LEU MD2 . . 5.500 2.464 2.110 2.900 . 0 0 "[ . 1]" 1 467 1 29 LEU MD1 1 71 ALA MB . . 5.500 4.065 3.877 4.325 . 0 0 "[ . 1]" 1 468 1 29 LEU MD1 1 72 LEU MD2 . . 5.500 2.710 2.310 3.006 . 0 0 "[ . 1]" 1 469 1 29 LEU MD1 1 75 ILE MD . . 5.500 3.274 3.169 3.574 . 0 0 "[ . 1]" 1 470 1 29 LEU MD2 1 30 ALA H . . 5.500 4.505 4.171 4.715 . 0 0 "[ . 1]" 1 471 1 29 LEU MD2 1 32 GLU H . . 5.500 4.640 4.395 4.788 . 0 0 "[ . 1]" 1 472 1 29 LEU MD2 1 32 GLU HB2 . . 5.500 3.427 3.297 3.569 . 0 0 "[ . 1]" 1 473 1 29 LEU MD2 1 33 LEU H . . 5.500 4.220 3.717 4.574 . 0 0 "[ . 1]" 1 474 1 29 LEU MD2 1 33 LEU MD1 . . 5.500 2.208 1.994 2.408 . 0 0 "[ . 1]" 1 475 1 29 LEU MD2 1 33 LEU MD2 . . 5.500 2.961 2.170 3.435 . 0 0 "[ . 1]" 1 476 1 29 LEU MD2 1 33 LEU HG . . 5.500 4.602 4.091 4.922 . 0 0 "[ . 1]" 1 477 1 29 LEU MD2 1 53 LEU MD1 . . 5.500 4.813 4.283 5.148 . 0 0 "[ . 1]" 1 478 1 29 LEU MD2 1 53 LEU MD2 . . 5.500 4.921 4.262 5.500 0.000 4 0 "[ . 1]" 1 479 1 29 LEU MD2 1 71 ALA H . . 5.500 4.450 4.157 4.945 . 0 0 "[ . 1]" 1 480 1 29 LEU MD2 1 71 ALA MB . . 3.400 2.148 2.014 2.396 . 0 0 "[ . 1]" 1 481 1 29 LEU MD2 1 72 LEU H . . 5.500 3.264 2.826 3.989 . 0 0 "[ . 1]" 1 482 1 29 LEU MD2 1 72 LEU MD2 . . 5.500 3.192 2.150 4.056 . 0 0 "[ . 1]" 1 483 1 29 LEU MD2 1 74 ARG H . . 5.500 5.547 5.116 6.005 0.505 2 1 "[ + . 1]" 1 484 1 29 LEU MD2 1 75 ILE MD . . 5.500 2.698 2.387 3.303 . 0 0 "[ . 1]" 1 485 1 29 LEU MD2 1 75 ILE HG12 . . 5.500 3.709 3.248 4.335 . 0 0 "[ . 1]" 1 486 1 29 LEU MD2 1 75 ILE MG . . 5.500 3.431 3.175 3.859 . 0 0 "[ . 1]" 1 487 1 29 LEU HG 1 30 ALA H . . 5.500 4.993 4.847 5.146 . 0 0 "[ . 1]" 1 488 1 29 LEU HG 1 33 LEU MD1 . . 5.500 4.631 4.439 4.844 . 0 0 "[ . 1]" 1 489 1 29 LEU HG 1 33 LEU MD2 . . 5.500 5.230 4.766 5.396 . 0 0 "[ . 1]" 1 490 1 29 LEU HG 1 53 LEU MD1 . . 5.500 5.500 5.307 5.654 0.154 9 0 "[ . 1]" 1 491 1 29 LEU HG 1 75 ILE MD . . 5.500 2.094 2.021 2.236 . 0 0 "[ . 1]" 1 492 1 30 ALA H 1 30 ALA HA . . 2.800 2.801 2.786 2.821 0.021 5 0 "[ . 1]" 1 493 1 30 ALA H 1 31 GLY H . . 3.400 2.967 2.920 3.016 . 0 0 "[ . 1]" 1 494 1 30 ALA H 1 40 ILE MD . . 5.500 4.879 4.267 5.070 . 0 0 "[ . 1]" 1 495 1 30 ALA H 1 53 LEU MD1 . . 5.500 3.211 3.018 3.303 . 0 0 "[ . 1]" 1 496 1 30 ALA H 1 53 LEU MD2 . . 5.500 4.527 4.202 4.719 . 0 0 "[ . 1]" 1 497 1 30 ALA HA 1 31 GLY H . . 5.500 3.606 3.599 3.613 . 0 0 "[ . 1]" 1 498 1 30 ALA HA 1 32 GLU H . . 5.500 4.499 4.403 4.574 . 0 0 "[ . 1]" 1 499 1 30 ALA HA 1 33 LEU H . . 3.400 3.482 3.393 3.540 0.140 2 0 "[ . 1]" 1 500 1 30 ALA HA 1 33 LEU HB2 . . 5.500 2.507 2.348 2.623 . 0 0 "[ . 1]" 1 501 1 30 ALA HA 1 33 LEU MD2 . . 5.500 3.079 2.745 3.289 . 0 0 "[ . 1]" 1 502 1 30 ALA HA 1 35 TYR H . . 5.500 3.746 3.617 3.996 . 0 0 "[ . 1]" 1 503 1 30 ALA HA 1 35 TYR QD . . 3.400 3.330 3.114 3.501 0.101 7 0 "[ . 1]" 1 504 1 30 ALA MB 1 31 GLY H . . 3.400 2.464 2.434 2.508 . 0 0 "[ . 1]" 1 505 1 30 ALA MB 1 32 GLU H . . 5.500 4.610 4.561 4.677 . 0 0 "[ . 1]" 1 506 1 30 ALA MB 1 33 LEU H . . 5.500 4.652 4.593 4.694 . 0 0 "[ . 1]" 1 507 1 30 ALA MB 1 35 TYR H . . 5.500 3.988 3.925 4.096 . 0 0 "[ . 1]" 1 508 1 30 ALA MB 1 35 TYR HB2 . . 5.500 2.416 2.257 2.570 . 0 0 "[ . 1]" 1 509 1 30 ALA MB 1 35 TYR HB3 . . 5.500 2.677 2.469 3.167 . 0 0 "[ . 1]" 1 510 1 30 ALA MB 1 35 TYR QD . . 5.500 3.631 3.535 3.741 . 0 0 "[ . 1]" 1 511 1 30 ALA MB 1 40 ILE MD . . 3.400 2.582 1.882 2.836 . 0 0 "[ . 1]" 1 512 1 30 ALA MB 1 40 ILE HG12 . . 5.500 2.851 2.421 4.348 . 0 0 "[ . 1]" 1 513 1 30 ALA MB 1 40 ILE HG13 . . 3.400 3.431 3.310 3.794 0.394 1 0 "[ . 1]" 1 514 1 30 ALA MB 1 40 ILE MG . . 5.500 3.588 3.271 3.708 . 0 0 "[ . 1]" 1 515 1 30 ALA MB 1 53 LEU MD1 . . 3.400 2.223 2.030 2.380 . 0 0 "[ . 1]" 1 516 1 30 ALA MB 1 53 LEU MD2 . . 3.400 3.313 2.788 3.575 0.175 7 0 "[ . 1]" 1 517 1 31 GLY H 1 31 GLY HA2 . . 2.800 2.823 2.815 2.836 0.036 8 0 "[ . 1]" 1 518 1 31 GLY H 1 32 GLU H . . 2.800 2.889 2.863 2.919 0.119 6 0 "[ . 1]" 1 519 1 31 GLY H 1 40 ILE MD . . 5.500 3.582 3.481 3.779 . 0 0 "[ . 1]" 1 520 1 31 GLY H 1 40 ILE MG . . 5.500 5.262 4.792 5.495 . 0 0 "[ . 1]" 1 521 1 31 GLY H 1 53 LEU MD1 . . 5.500 5.401 5.253 5.541 0.041 8 0 "[ . 1]" 1 522 1 31 GLY HA2 1 32 GLU H . . 5.500 3.602 3.591 3.608 . 0 0 "[ . 1]" 1 523 1 31 GLY HA2 1 33 LEU H . . 5.500 4.588 4.536 4.631 . 0 0 "[ . 1]" 1 524 1 31 GLY HA2 1 34 GLY H . . 5.500 3.876 3.829 3.955 . 0 0 "[ . 1]" 1 525 1 31 GLY HA2 1 35 TYR H . . 5.500 4.026 3.920 4.142 . 0 0 "[ . 1]" 1 526 1 31 GLY HA2 1 40 ILE MD . . 5.500 3.528 3.293 4.123 . 0 0 "[ . 1]" 1 527 1 31 GLY HA3 1 32 GLU H . . 5.500 2.841 2.798 2.865 . 0 0 "[ . 1]" 1 528 1 31 GLY HA3 1 33 LEU H . . 5.500 4.773 4.724 4.808 . 0 0 "[ . 1]" 1 529 1 31 GLY HA3 1 34 GLY H . . 5.500 4.830 4.798 4.867 . 0 0 "[ . 1]" 1 530 1 31 GLY HA3 1 35 TYR H . . 5.500 5.454 5.391 5.521 0.021 2 0 "[ . 1]" 1 531 1 31 GLY HA3 1 40 ILE MD . . 5.500 4.141 3.850 4.866 . 0 0 "[ . 1]" 1 532 1 32 GLU H 1 32 GLU HA . . 2.800 2.932 2.920 2.959 0.159 2 0 "[ . 1]" 1 533 1 32 GLU H 1 32 GLU HG2 . . 3.400 2.574 2.418 2.630 . 0 0 "[ . 1]" 1 534 1 32 GLU H 1 32 GLU HG3 . . 5.500 3.854 3.787 3.911 . 0 0 "[ . 1]" 1 535 1 32 GLU H 1 33 LEU H . . 2.800 2.591 2.523 2.646 . 0 0 "[ . 1]" 1 536 1 32 GLU H 1 71 ALA MB . . 5.500 4.807 4.625 5.111 . 0 0 "[ . 1]" 1 537 1 32 GLU H 1 75 ILE MG . . 5.500 3.855 3.338 4.173 . 0 0 "[ . 1]" 1 538 1 32 GLU HA 1 33 LEU H . . 3.400 3.532 3.513 3.543 0.143 9 0 "[ . 1]" 1 539 1 32 GLU HA 1 34 GLY H . . 5.500 3.532 3.398 3.646 . 0 0 "[ . 1]" 1 540 1 32 GLU HB2 1 33 LEU H . . 5.500 3.045 2.941 3.189 . 0 0 "[ . 1]" 1 541 1 32 GLU HB2 1 71 ALA MB . . 5.500 2.983 2.758 3.481 . 0 0 "[ . 1]" 1 542 1 32 GLU HB2 1 75 ILE MG . . 3.400 3.007 2.305 3.370 . 0 0 "[ . 1]" 1 543 1 32 GLU HB3 1 71 ALA MB . . 5.500 3.084 2.768 3.554 . 0 0 "[ . 1]" 1 544 1 32 GLU HB3 1 75 ILE MG . . 5.500 3.729 3.248 4.078 . 0 0 "[ . 1]" 1 545 1 32 GLU HG2 1 71 ALA MB . . 5.500 5.049 4.726 5.622 0.122 2 0 "[ . 1]" 1 546 1 32 GLU HG2 1 75 ILE MG . . 5.500 2.597 2.320 2.963 . 0 0 "[ . 1]" 1 547 1 32 GLU HG3 1 71 ALA MB . . 5.500 4.353 3.916 5.037 . 0 0 "[ . 1]" 1 548 1 32 GLU HG3 1 74 ARG HB3 . . 3.400 2.959 2.771 3.142 . 0 0 "[ . 1]" 1 549 1 32 GLU HG3 1 75 ILE MG . . 3.400 2.111 2.026 2.363 . 0 0 "[ . 1]" 1 550 1 33 LEU H 1 33 LEU HA . . 2.800 2.916 2.904 2.931 0.131 2 0 "[ . 1]" 1 551 1 33 LEU H 1 33 LEU HB2 . . 3.400 2.122 2.093 2.140 . 0 0 "[ . 1]" 1 552 1 33 LEU H 1 33 LEU MD1 . . 5.500 2.724 2.634 2.863 . 0 0 "[ . 1]" 1 553 1 33 LEU H 1 33 LEU MD2 . . 5.500 3.729 3.651 3.859 . 0 0 "[ . 1]" 1 554 1 33 LEU H 1 34 GLY H . . 2.800 2.681 2.632 2.714 . 0 0 "[ . 1]" 1 555 1 33 LEU H 1 35 TYR QD . . 5.500 4.771 4.610 4.940 . 0 0 "[ . 1]" 1 556 1 33 LEU H 1 71 ALA MB . . 5.500 3.978 3.895 4.112 . 0 0 "[ . 1]" 1 557 1 33 LEU HA 1 34 GLY H . . 3.400 3.404 3.384 3.428 0.028 1 0 "[ . 1]" 1 558 1 33 LEU HB2 1 33 LEU MD2 . . 3.400 2.281 2.238 2.303 . 0 0 "[ . 1]" 1 559 1 33 LEU HB2 1 34 GLY H . . 5.500 3.576 3.492 3.669 . 0 0 "[ . 1]" 1 560 1 33 LEU HB2 1 35 TYR H . . 5.500 3.442 3.367 3.503 . 0 0 "[ . 1]" 1 561 1 33 LEU HB2 1 35 TYR QD . . 3.400 2.963 2.803 3.129 . 0 0 "[ . 1]" 1 562 1 33 LEU HB2 1 35 TYR QE . . 5.500 4.643 4.335 5.015 . 0 0 "[ . 1]" 1 563 1 33 LEU HB2 1 53 LEU MD2 . . 5.500 4.493 4.261 4.840 . 0 0 "[ . 1]" 1 564 1 33 LEU HB3 1 33 LEU MD1 . . 3.400 3.249 3.229 3.268 . 0 0 "[ . 1]" 1 565 1 33 LEU HB3 1 35 TYR QE . . 5.500 3.688 3.303 4.118 . 0 0 "[ . 1]" 1 566 1 33 LEU HB3 1 57 TRP HD1 . . 5.500 4.498 4.010 5.034 . 0 0 "[ . 1]" 1 567 1 33 LEU MD1 1 35 TYR QE . . 5.500 5.427 5.263 5.566 0.066 6 0 "[ . 1]" 1 568 1 33 LEU MD1 1 57 TRP HD1 . . 5.500 5.265 5.030 5.597 0.097 4 0 "[ . 1]" 1 569 1 33 LEU MD1 1 57 TRP HE1 . . 5.500 3.948 3.794 4.130 . 0 0 "[ . 1]" 1 570 1 33 LEU MD1 1 57 TRP HH2 . . 5.500 4.514 4.238 4.629 . 0 0 "[ . 1]" 1 571 1 33 LEU MD1 1 57 TRP HZ2 . . 5.500 3.451 3.323 3.594 . 0 0 "[ . 1]" 1 572 1 33 LEU MD1 1 67 ALA MB . . 5.500 4.191 3.839 4.582 . 0 0 "[ . 1]" 1 573 1 33 LEU MD1 1 68 LEU HA . . 3.400 3.362 3.151 3.494 0.094 2 0 "[ . 1]" 1 574 1 33 LEU MD1 1 68 LEU MD1 . . 5.500 5.302 5.014 5.674 0.174 3 0 "[ . 1]" 1 575 1 33 LEU MD1 1 68 LEU MD2 . . 5.500 3.661 3.382 3.956 . 0 0 "[ . 1]" 1 576 1 33 LEU MD1 1 71 ALA H . . 5.500 4.158 4.024 4.352 . 0 0 "[ . 1]" 1 577 1 33 LEU MD1 1 71 ALA MB . . 3.400 1.981 1.913 2.142 . 0 0 "[ . 1]" 1 578 1 33 LEU MD2 1 34 GLY H . . 5.500 5.239 5.186 5.284 . 0 0 "[ . 1]" 1 579 1 33 LEU MD2 1 35 TYR QE . . 5.500 2.853 2.657 3.047 . 0 0 "[ . 1]" 1 580 1 33 LEU MD2 1 53 LEU MD1 . . 5.500 3.799 3.536 4.002 . 0 0 "[ . 1]" 1 581 1 33 LEU MD2 1 53 LEU MD2 . . 5.500 2.824 2.612 3.002 . 0 0 "[ . 1]" 1 582 1 33 LEU MD2 1 53 LEU HG . . 5.500 5.179 4.945 5.373 . 0 0 "[ . 1]" 1 583 1 33 LEU MD2 1 54 LEU MD2 . . 5.500 4.659 4.099 5.261 . 0 0 "[ . 1]" 1 584 1 33 LEU MD2 1 57 TRP HD1 . . 5.500 2.931 2.808 3.097 . 0 0 "[ . 1]" 1 585 1 33 LEU MD2 1 68 LEU MD2 . . 5.500 4.119 3.875 4.552 . 0 0 "[ . 1]" 1 586 1 33 LEU MD2 1 71 ALA MB . . 5.500 3.849 3.717 3.997 . 0 0 "[ . 1]" 1 587 1 33 LEU HG 1 71 ALA MB . . 5.500 4.096 3.959 4.312 . 0 0 "[ . 1]" 1 588 1 34 GLY H 1 35 TYR H . . 2.800 2.542 2.509 2.578 . 0 0 "[ . 1]" 1 589 1 34 GLY H 1 35 TYR HB3 . . 5.500 5.818 5.643 5.941 0.441 1 0 "[ . 1]" 1 590 1 34 GLY H 1 35 TYR QD . . 5.500 4.799 4.453 5.136 . 0 0 "[ . 1]" 1 591 1 34 GLY HA2 1 35 TYR H . . 5.500 3.120 3.088 3.163 . 0 0 "[ . 1]" 1 592 1 34 GLY HA3 1 35 TYR H . . 5.500 3.519 3.493 3.541 . 0 0 "[ . 1]" 1 593 1 35 TYR H 1 35 TYR HA . . 2.800 2.900 2.891 2.918 0.118 1 0 "[ . 1]" 1 594 1 35 TYR H 1 35 TYR HB3 . . 3.400 3.389 3.251 3.491 0.091 1 0 "[ . 1]" 1 595 1 35 TYR H 1 35 TYR QD . . 3.400 3.038 2.739 3.380 . 0 0 "[ . 1]" 1 596 1 35 TYR H 1 35 TYR QE . . 5.500 5.302 5.036 5.594 0.094 3 0 "[ . 1]" 1 597 1 35 TYR H 1 36 GLN H . . 5.500 4.648 4.598 4.670 . 0 0 "[ . 1]" 1 598 1 35 TYR H 1 40 ILE MD . . 5.500 5.017 4.236 5.277 . 0 0 "[ . 1]" 1 599 1 35 TYR HA 1 36 GLN H . . 2.800 2.214 2.150 2.266 . 0 0 "[ . 1]" 1 600 1 35 TYR HB2 1 35 TYR QD . . 3.400 2.481 2.405 2.557 . 0 0 "[ . 1]" 1 601 1 35 TYR HB2 1 36 GLN H . . 5.500 4.292 4.177 4.419 . 0 0 "[ . 1]" 1 602 1 35 TYR HB2 1 40 ILE MD . . 5.500 4.155 2.805 4.618 . 0 0 "[ . 1]" 1 603 1 35 TYR HB2 1 40 ILE HG12 . . 5.500 4.998 4.761 5.299 . 0 0 "[ . 1]" 1 604 1 35 TYR HB3 1 36 GLN H . . 5.500 3.172 2.961 3.442 . 0 0 "[ . 1]" 1 605 1 35 TYR HB3 1 39 HIS HB2 . . 5.500 3.605 3.332 4.358 . 0 0 "[ . 1]" 1 606 1 35 TYR HB3 1 40 ILE MD . . 5.500 3.697 2.437 4.163 . 0 0 "[ . 1]" 1 607 1 35 TYR HB3 1 40 ILE HG12 . . 5.500 4.170 3.911 4.398 . 0 0 "[ . 1]" 1 608 1 35 TYR HB3 1 40 ILE HG13 . . 5.500 3.943 3.553 4.982 . 0 0 "[ . 1]" 1 609 1 35 TYR QD 1 36 GLN H . . 5.500 3.258 2.986 3.676 . 0 0 "[ . 1]" 1 610 1 35 TYR QD 1 39 HIS HB2 . . 5.500 2.651 2.275 3.434 . 0 0 "[ . 1]" 1 611 1 35 TYR QD 1 39 HIS HB3 . . 3.400 2.656 2.459 2.869 . 0 0 "[ . 1]" 1 612 1 35 TYR QD 1 53 LEU MD1 . . 5.500 4.851 4.626 5.009 . 0 0 "[ . 1]" 1 613 1 35 TYR QD 1 53 LEU MD2 . . 5.500 3.731 3.591 4.036 . 0 0 "[ . 1]" 1 614 1 35 TYR QE 1 53 LEU MD2 . . 5.500 3.265 3.032 3.456 . 0 0 "[ . 1]" 1 615 1 35 TYR QE 1 57 TRP HA . . 5.500 3.752 3.632 4.062 . 0 0 "[ . 1]" 1 616 1 35 TYR QE 1 57 TRP HB2 . . 5.500 3.776 3.353 4.181 . 0 0 "[ . 1]" 1 617 1 35 TYR QE 1 57 TRP HB3 . . 5.500 5.268 4.971 5.547 0.047 4 0 "[ . 1]" 1 618 1 35 TYR QE 1 57 TRP HD1 . . 3.400 2.223 2.095 2.456 . 0 0 "[ . 1]" 1 619 1 35 TYR QE 1 60 GLN HE21 . . 3.400 3.507 3.389 3.691 0.291 1 0 "[ . 1]" 1 620 1 35 TYR QE 1 60 GLN HE22 . . 3.400 3.582 3.320 3.899 0.499 1 0 "[ . 1]" 1 621 1 36 GLN H 1 36 GLN HB2 . . 3.400 2.315 2.139 2.412 . 0 0 "[ . 1]" 1 622 1 36 GLN H 1 36 GLN HG2 . . 3.400 3.447 3.262 3.765 0.365 1 0 "[ . 1]" 1 623 1 36 GLN H 1 39 HIS HB2 . . 5.500 3.665 3.361 3.833 . 0 0 "[ . 1]" 1 624 1 36 GLN H 1 39 HIS HB3 . . 5.500 4.793 3.866 5.228 . 0 0 "[ . 1]" 1 625 1 36 GLN HB2 1 38 GLU H . . 5.500 3.958 3.803 4.379 . 0 0 "[ . 1]" 1 626 1 36 GLN HB2 1 39 HIS H . . 3.400 3.257 3.036 3.604 0.204 1 0 "[ . 1]" 1 627 1 36 GLN HB3 1 37 PRO HD2 . . 3.400 2.310 2.233 2.617 . 0 0 "[ . 1]" 1 628 1 36 GLN HB3 1 38 GLU H . . 5.500 2.783 2.677 3.002 . 0 0 "[ . 1]" 1 629 1 36 GLN HE21 1 36 GLN HG2 . . 3.400 2.774 2.235 3.509 0.109 7 0 "[ . 1]" 1 630 1 36 GLN HG2 1 38 GLU H . . 5.500 5.271 5.120 5.488 . 0 0 "[ . 1]" 1 631 1 37 PRO HA 1 38 GLU H . . 5.500 3.570 3.559 3.580 . 0 0 "[ . 1]" 1 632 1 37 PRO HA 1 39 HIS H . . 5.500 4.196 4.103 4.315 . 0 0 "[ . 1]" 1 633 1 37 PRO HA 1 40 ILE H . . 5.500 3.393 3.340 3.446 . 0 0 "[ . 1]" 1 634 1 37 PRO HA 1 40 ILE HB . . 3.400 3.072 2.912 3.219 . 0 0 "[ . 1]" 1 635 1 37 PRO HA 1 40 ILE MD . . 3.400 2.651 2.323 3.717 0.317 1 0 "[ . 1]" 1 636 1 37 PRO HA 1 40 ILE HG12 . . 5.500 3.971 2.116 4.488 . 0 0 "[ . 1]" 1 637 1 37 PRO HA 1 40 ILE MG . . 5.500 4.296 4.158 4.444 . 0 0 "[ . 1]" 1 638 1 37 PRO HA 1 41 ASP H . . 5.500 4.442 4.252 4.646 . 0 0 "[ . 1]" 1 639 1 37 PRO HB2 1 38 GLU H . . 5.500 3.489 3.423 3.575 . 0 0 "[ . 1]" 1 640 1 37 PRO HB3 1 38 GLU H . . 5.000 4.254 4.212 4.317 . 0 0 "[ . 1]" 1 641 1 37 PRO HB3 1 40 ILE H . . 5.500 5.619 5.572 5.674 0.174 7 0 "[ . 1]" 1 642 1 37 PRO HD2 1 38 GLU H . . 5.500 2.884 2.828 2.988 . 0 0 "[ . 1]" 1 643 1 37 PRO HG2 1 38 GLU H . . 5.500 2.458 2.355 2.561 . 0 0 "[ . 1]" 1 644 1 38 GLU H 1 38 GLU HA . . 2.800 2.862 2.849 2.870 0.070 5 0 "[ . 1]" 1 645 1 38 GLU H 1 38 GLU HG2 . . 3.400 2.595 2.047 3.298 . 0 0 "[ . 1]" 1 646 1 38 GLU H 1 39 HIS H . . 2.800 2.768 2.745 2.788 . 0 0 "[ . 1]" 1 647 1 38 GLU H 1 40 ILE H . . 5.500 4.278 4.210 4.355 . 0 0 "[ . 1]" 1 648 1 38 GLU H 1 41 ASP HB2 . . 5.500 5.180 5.025 5.374 . 0 0 "[ . 1]" 1 649 1 38 GLU HA 1 39 HIS H . . 3.400 3.556 3.546 3.578 0.178 7 0 "[ . 1]" 1 650 1 38 GLU HA 1 40 ILE H . . 5.500 4.332 4.256 4.396 . 0 0 "[ . 1]" 1 651 1 38 GLU HA 1 41 ASP H . . 3.400 3.292 3.189 3.383 . 0 0 "[ . 1]" 1 652 1 38 GLU HA 1 41 ASP HB2 . . 2.800 2.623 2.472 2.768 . 0 0 "[ . 1]" 1 653 1 38 GLU HA 1 42 SER H . . 5.500 4.260 4.076 4.763 . 0 0 "[ . 1]" 1 654 1 38 GLU HB2 1 39 HIS H . . 5.500 3.923 2.944 4.122 . 0 0 "[ . 1]" 1 655 1 38 GLU HB2 1 41 ASP HB2 . . 5.500 4.638 4.392 5.478 . 0 0 "[ . 1]" 1 656 1 38 GLU HG2 1 39 HIS H . . 5.500 3.484 2.747 4.666 . 0 0 "[ . 1]" 1 657 1 38 GLU HG2 1 39 HIS HD2 . . 5.500 5.028 2.689 6.015 0.515 6 1 "[ .+ 1]" 1 658 1 39 HIS H 1 39 HIS HA . . 2.800 2.900 2.877 2.918 0.118 5 0 "[ . 1]" 1 659 1 39 HIS H 1 40 ILE H . . 2.800 2.586 2.459 2.685 . 0 0 "[ . 1]" 1 660 1 39 HIS H 1 40 ILE HG12 . . 5.500 5.257 3.691 5.704 0.204 7 0 "[ . 1]" 1 661 1 39 HIS H 1 41 ASP H . . 5.500 4.221 4.122 4.317 . 0 0 "[ . 1]" 1 662 1 39 HIS HA 1 39 HIS HD2 . . 3.400 2.891 2.290 3.630 0.230 4 0 "[ . 1]" 1 663 1 39 HIS HA 1 40 ILE H . . 5.500 3.566 3.521 3.583 . 0 0 "[ . 1]" 1 664 1 39 HIS HA 1 41 ASP H . . 5.500 4.561 4.371 4.679 . 0 0 "[ . 1]" 1 665 1 39 HIS HA 1 42 SER H . . 5.500 3.366 3.297 3.427 . 0 0 "[ . 1]" 1 666 1 39 HIS HA 1 42 SER HB2 . . 5.500 2.593 2.510 2.796 . 0 0 "[ . 1]" 1 667 1 39 HIS HB2 1 40 ILE H . . 5.500 2.962 2.668 3.714 . 0 0 "[ . 1]" 1 668 1 39 HIS HB3 1 40 ILE H . . 5.500 3.303 2.882 3.677 . 0 0 "[ . 1]" 1 669 1 40 ILE H 1 40 ILE HB . . 3.400 2.650 2.610 2.708 . 0 0 "[ . 1]" 1 670 1 40 ILE H 1 40 ILE MD . . 3.400 3.405 2.592 3.633 0.233 3 0 "[ . 1]" 1 671 1 40 ILE H 1 40 ILE HG12 . . 5.000 3.016 1.993 3.317 . 0 0 "[ . 1]" 1 672 1 40 ILE H 1 40 ILE HG13 . . 5.500 2.349 2.024 3.578 . 0 0 "[ . 1]" 1 673 1 40 ILE H 1 41 ASP H . . 2.800 2.829 2.744 2.878 0.078 4 0 "[ . 1]" 1 674 1 40 ILE H 1 41 ASP HB2 . . 5.500 4.710 4.615 4.865 . 0 0 "[ . 1]" 1 675 1 40 ILE H 1 42 SER H . . 5.500 4.202 4.118 4.264 . 0 0 "[ . 1]" 1 676 1 40 ILE HA 1 40 ILE MG . . 3.400 2.347 2.310 2.394 . 0 0 "[ . 1]" 1 677 1 40 ILE HA 1 41 ASP H . . 5.500 3.619 3.599 3.628 . 0 0 "[ . 1]" 1 678 1 40 ILE HA 1 42 SER H . . 5.500 4.414 4.234 4.476 . 0 0 "[ . 1]" 1 679 1 40 ILE HA 1 43 PHE H . . 5.500 3.391 3.297 3.499 . 0 0 "[ . 1]" 1 680 1 40 ILE HA 1 43 PHE QD . . 3.400 2.871 2.617 3.136 . 0 0 "[ . 1]" 1 681 1 40 ILE HB 1 40 ILE MD . . 3.400 2.603 2.414 3.287 . 0 0 "[ . 1]" 1 682 1 40 ILE HB 1 41 ASP H . . 3.400 2.595 2.546 2.626 . 0 0 "[ . 1]" 1 683 1 40 ILE MD 1 40 ILE MG . . 2.800 2.097 2.074 2.153 . 0 0 "[ . 1]" 1 684 1 40 ILE MD 1 41 ASP H . . 5.500 4.581 4.524 4.639 . 0 0 "[ . 1]" 1 685 1 40 ILE HG12 1 41 ASP H . . 5.500 4.816 3.970 5.045 . 0 0 "[ . 1]" 1 686 1 40 ILE HG13 1 40 ILE MG . . 3.400 3.029 2.247 3.231 . 0 0 "[ . 1]" 1 687 1 40 ILE MG 1 41 ASP H . . 5.500 3.538 3.442 3.718 . 0 0 "[ . 1]" 1 688 1 40 ILE MG 1 41 ASP HA . . 5.500 3.709 3.611 3.942 . 0 0 "[ . 1]" 1 689 1 40 ILE MG 1 43 PHE H . . 5.500 4.619 4.430 4.804 . 0 0 "[ . 1]" 1 690 1 40 ILE MG 1 43 PHE QD . . 5.500 4.426 4.011 4.698 . 0 0 "[ . 1]" 1 691 1 40 ILE MG 1 44 THR MG . . 5.500 2.591 2.234 3.767 . 0 0 "[ . 1]" 1 692 1 41 ASP H 1 42 SER H . . 2.800 2.846 2.764 2.893 0.093 4 0 "[ . 1]" 1 693 1 41 ASP H 1 43 PHE H . . 5.500 4.259 4.141 4.451 . 0 0 "[ . 1]" 1 694 1 41 ASP HA 1 42 SER H . . 3.400 3.576 3.552 3.604 0.204 4 0 "[ . 1]" 1 695 1 41 ASP HA 1 43 PHE H . . 5.500 4.345 4.069 4.673 . 0 0 "[ . 1]" 1 696 1 41 ASP HA 1 44 THR H . . 5.500 3.428 3.259 3.765 . 0 0 "[ . 1]" 1 697 1 41 ASP HA 1 44 THR MG . . 3.400 3.156 2.142 3.531 0.131 3 0 "[ . 1]" 1 698 1 41 ASP HB2 1 42 SER H . . 3.400 3.222 3.044 3.541 0.141 2 0 "[ . 1]" 1 699 1 41 ASP HB2 1 43 PHE H . . 5.500 5.427 5.261 5.724 0.224 3 0 "[ . 1]" 1 700 1 41 ASP HB2 1 44 THR MG . . 5.500 5.480 4.715 5.810 0.310 5 0 "[ . 1]" 1 701 1 42 SER H 1 42 SER HA . . 2.800 2.904 2.887 2.920 0.120 8 0 "[ . 1]" 1 702 1 42 SER H 1 42 SER HB2 . . 3.400 2.173 2.105 2.435 . 0 0 "[ . 1]" 1 703 1 42 SER H 1 43 PHE H . . 2.800 2.666 2.563 2.765 . 0 0 "[ . 1]" 1 704 1 42 SER H 1 44 THR H . . 5.500 4.343 4.278 4.484 . 0 0 "[ . 1]" 1 705 1 42 SER HA 1 43 PHE H . . 3.400 3.574 3.534 3.619 0.219 1 0 "[ . 1]" 1 706 1 42 SER HA 1 44 THR H . . 5.500 4.759 4.713 4.854 . 0 0 "[ . 1]" 1 707 1 42 SER HB2 1 43 PHE H . . 3.400 3.091 2.705 3.296 . 0 0 "[ . 1]" 1 708 1 43 PHE H 1 43 PHE HB2 . . 3.400 2.254 2.221 2.288 . 0 0 "[ . 1]" 1 709 1 43 PHE H 1 43 PHE QD . . 5.500 3.431 3.315 3.512 . 0 0 "[ . 1]" 1 710 1 43 PHE H 1 44 THR H . . 2.800 2.757 2.588 2.977 0.177 3 0 "[ . 1]" 1 711 1 43 PHE H 1 44 THR MG . . 5.500 4.437 4.227 4.711 . 0 0 "[ . 1]" 1 712 1 43 PHE HA 1 44 THR H . . 5.500 3.634 3.612 3.651 . 0 0 "[ . 1]" 1 713 1 43 PHE HA 1 46 GLU H . . 5.500 3.582 3.169 3.711 . 0 0 "[ . 1]" 1 714 1 43 PHE HA 1 52 ALA MB . . 5.500 4.871 4.693 5.196 . 0 0 "[ . 1]" 1 715 1 43 PHE HB2 1 44 THR H . . 5.500 2.939 2.850 2.995 . 0 0 "[ . 1]" 1 716 1 43 PHE HB3 1 44 THR H . . 5.500 3.597 3.311 3.729 . 0 0 "[ . 1]" 1 717 1 43 PHE QD 1 46 GLU HG3 . . 5.500 5.227 3.941 5.816 0.316 3 0 "[ . 1]" 1 718 1 43 PHE QD 1 52 ALA MB . . 3.400 3.101 2.971 3.367 . 0 0 "[ . 1]" 1 719 1 43 PHE QD 1 53 LEU H . . 5.500 4.728 4.568 4.822 . 0 0 "[ . 1]" 1 720 1 43 PHE QD 1 53 LEU MD2 . . 5.500 4.848 4.476 5.082 . 0 0 "[ . 1]" 1 721 1 43 PHE QE 1 52 ALA MB . . 5.500 2.137 2.094 2.183 . 0 0 "[ . 1]" 1 722 1 43 PHE QE 1 53 LEU HA . . 5.500 3.531 3.427 3.685 . 0 0 "[ . 1]" 1 723 1 43 PHE QE 1 53 LEU MD2 . . 5.500 3.782 3.384 4.099 . 0 0 "[ . 1]" 1 724 1 43 PHE QE 1 56 SER HB2 . . 5.500 4.253 3.986 4.733 . 0 0 "[ . 1]" 1 725 1 43 PHE HZ 1 53 LEU HA . . 5.500 3.057 2.785 3.241 . 0 0 "[ . 1]" 1 726 1 43 PHE HZ 1 53 LEU MD2 . . 5.500 4.393 4.001 4.613 . 0 0 "[ . 1]" 1 727 1 43 PHE HZ 1 56 SER HB2 . . 5.500 3.188 2.863 3.798 . 0 0 "[ . 1]" 1 728 1 44 THR H 1 44 THR HA . . 2.800 2.868 2.842 2.883 0.083 9 0 "[ . 1]" 1 729 1 44 THR H 1 44 THR MG . . 3.400 2.393 2.341 2.434 . 0 0 "[ . 1]" 1 730 1 44 THR H 1 45 HIS H . . 5.500 2.799 2.728 2.854 . 0 0 "[ . 1]" 1 731 1 44 THR H 1 46 GLU H . . 5.500 4.390 4.282 4.436 . 0 0 "[ . 1]" 1 732 1 44 THR HA 1 46 GLU H . . 5.500 3.691 3.561 4.054 . 0 0 "[ . 1]" 1 733 1 44 THR HA 1 49 PRO HB2 . . 5.500 5.067 4.639 5.308 . 0 0 "[ . 1]" 1 734 1 45 HIS H 1 46 GLU H . . 5.500 2.637 2.258 2.730 . 0 0 "[ . 1]" 1 735 1 45 HIS HA 1 46 GLU H . . 5.500 3.323 3.192 3.521 . 0 0 "[ . 1]" 1 736 1 45 HIS HB2 1 46 GLU H . . 5.500 4.216 3.784 4.401 . 0 0 "[ . 1]" 1 737 1 45 HIS HB3 1 46 GLU H . . 5.500 3.762 3.138 4.440 . 0 0 "[ . 1]" 1 738 1 46 GLU H 1 46 GLU HA . . 2.800 2.987 2.940 3.005 0.205 9 0 "[ . 1]" 1 739 1 46 GLU H 1 46 GLU HG3 . . 5.500 4.436 4.106 4.647 . 0 0 "[ . 1]" 1 740 1 46 GLU H 1 47 ALA H . . 5.500 4.603 4.568 4.674 . 0 0 "[ . 1]" 1 741 1 46 GLU H 1 49 PRO HA . . 5.500 5.534 5.388 5.622 0.122 9 0 "[ . 1]" 1 742 1 46 GLU H 1 49 PRO HG2 . . 5.500 5.670 5.598 5.753 0.253 1 0 "[ . 1]" 1 743 1 46 GLU H 1 49 PRO HG3 . . 5.500 3.979 3.885 4.093 . 0 0 "[ . 1]" 1 744 1 46 GLU HA 1 47 ALA H . . 2.800 2.324 2.284 2.385 . 0 0 "[ . 1]" 1 745 1 46 GLU QB 1 47 ALA H . . 3.400 3.527 3.495 3.564 0.164 6 0 "[ . 1]" 1 746 1 46 GLU QB 1 48 CYS H . . 5.500 3.979 3.855 4.180 . 0 0 "[ . 1]" 1 747 1 46 GLU QB 1 49 PRO HA . . 3.400 3.323 3.152 3.493 0.093 9 0 "[ . 1]" 1 748 1 46 GLU QB 1 52 ALA MB . . 5.500 4.429 4.217 4.538 . 0 0 "[ . 1]" 1 749 1 46 GLU HG3 1 47 ALA H . . 5.500 2.624 2.253 3.198 . 0 0 "[ . 1]" 1 750 1 46 GLU HG3 1 52 ALA MB . . 5.500 4.732 4.167 5.103 . 0 0 "[ . 1]" 1 751 1 47 ALA H 1 47 ALA HA . . 2.800 2.904 2.879 2.921 0.121 4 0 "[ . 1]" 1 752 1 47 ALA H 1 47 ALA MB . . 3.400 2.200 2.185 2.219 . 0 0 "[ . 1]" 1 753 1 47 ALA H 1 48 CYS H . . 5.500 2.590 2.492 2.683 . 0 0 "[ . 1]" 1 754 1 47 ALA HA 1 48 CYS H . . 5.500 3.565 3.536 3.593 . 0 0 "[ . 1]" 1 755 1 47 ALA MB 1 48 CYS H . . 3.400 2.645 2.629 2.675 . 0 0 "[ . 1]" 1 756 1 47 ALA MB 1 48 CYS HB2 . . 5.500 3.793 3.541 3.926 . 0 0 "[ . 1]" 1 757 1 48 CYS HB2 1 51 ARG HD2 . . 5.500 4.211 3.254 5.440 . 0 0 "[ . 1]" 1 758 1 48 CYS HB2 1 52 ALA H . . 5.500 5.284 4.638 5.436 . 0 0 "[ . 1]" 1 759 1 48 CYS HB3 1 51 ARG HB2 . . 3.400 3.398 2.754 3.595 0.195 4 0 "[ . 1]" 1 760 1 48 CYS HB3 1 52 ALA MB . . 5.500 5.551 4.536 5.733 0.233 4 0 "[ . 1]" 1 761 1 49 PRO HA 1 50 VAL H . . 5.500 3.539 3.525 3.590 . 0 0 "[ . 1]" 1 762 1 49 PRO HA 1 52 ALA H . . 5.500 3.273 3.187 3.505 . 0 0 "[ . 1]" 1 763 1 49 PRO HA 1 52 ALA MB . . 3.400 2.649 2.522 2.723 . 0 0 "[ . 1]" 1 764 1 49 PRO HA 1 53 LEU H . . 5.500 4.047 3.908 4.109 . 0 0 "[ . 1]" 1 765 1 49 PRO HB2 1 50 VAL H . . 3.400 3.369 3.172 3.500 0.100 8 0 "[ . 1]" 1 766 1 49 PRO HB2 1 50 VAL MG1 . . 5.500 5.199 5.041 5.677 0.177 6 0 "[ . 1]" 1 767 1 49 PRO HB3 1 50 VAL H . . 5.500 4.184 4.070 4.235 . 0 0 "[ . 1]" 1 768 1 49 PRO HD2 1 50 VAL H . . 5.500 2.866 2.775 2.945 . 0 0 "[ . 1]" 1 769 1 49 PRO HG2 1 50 VAL H . . 5.500 2.407 2.211 2.494 . 0 0 "[ . 1]" 1 770 1 49 PRO HG3 1 50 VAL H . . 5.500 3.983 3.814 4.058 . 0 0 "[ . 1]" 1 771 1 50 VAL H 1 50 VAL HA . . 2.800 2.794 2.778 2.825 0.025 6 0 "[ . 1]" 1 772 1 50 VAL H 1 50 VAL HB . . 3.400 2.427 2.336 2.558 . 0 0 "[ . 1]" 1 773 1 50 VAL H 1 50 VAL MG1 . . 3.400 2.311 2.072 3.788 0.388 6 0 "[ . 1]" 1 774 1 50 VAL H 1 51 ARG H . . 5.500 2.888 2.801 2.955 . 0 0 "[ . 1]" 1 775 1 50 VAL H 1 52 ALA H . . 5.500 4.454 4.371 4.560 . 0 0 "[ . 1]" 1 776 1 50 VAL HA 1 53 LEU H . . 3.400 3.538 3.475 3.613 0.213 6 0 "[ . 1]" 1 777 1 50 VAL HA 1 53 LEU HB2 . . 5.500 2.955 2.656 3.232 . 0 0 "[ . 1]" 1 778 1 50 VAL HA 1 54 LEU H . . 5.500 4.170 3.968 4.344 . 0 0 "[ . 1]" 1 779 1 50 VAL MG1 1 51 ARG HB2 . . 5.500 3.714 3.089 4.476 . 0 0 "[ . 1]" 1 780 1 50 VAL MG1 1 52 ALA H . . 5.500 4.572 4.418 5.324 . 0 0 "[ . 1]" 1 781 1 50 VAL MG1 1 54 LEU H . . 5.500 5.313 4.133 5.559 0.059 1 0 "[ . 1]" 1 782 1 50 VAL MG2 1 54 LEU H . . 5.500 4.447 4.239 5.655 0.155 6 0 "[ . 1]" 1 783 1 51 ARG H 1 52 ALA H . . 3.400 2.645 2.535 2.776 . 0 0 "[ . 1]" 1 784 1 51 ARG H 1 53 LEU H . . 5.500 4.019 3.850 4.162 . 0 0 "[ . 1]" 1 785 1 51 ARG HA 1 52 ALA H . . 5.500 3.563 3.543 3.577 . 0 0 "[ . 1]" 1 786 1 51 ARG HA 1 53 LEU H . . 5.500 4.468 4.391 4.526 . 0 0 "[ . 1]" 1 787 1 51 ARG HA 1 54 LEU H . . 5.500 3.724 3.614 3.839 . 0 0 "[ . 1]" 1 788 1 51 ARG HA 1 54 LEU HB2 . . 5.500 3.240 3.042 3.520 . 0 0 "[ . 1]" 1 789 1 51 ARG HA 1 55 ALA H . . 5.500 4.239 3.929 4.672 . 0 0 "[ . 1]" 1 790 1 51 ARG HB2 1 52 ALA H . . 5.500 3.317 2.441 3.976 . 0 0 "[ . 1]" 1 791 1 51 ARG HG2 1 52 ALA H . . 5.500 4.339 3.516 4.785 . 0 0 "[ . 1]" 1 792 1 51 ARG HG3 1 52 ALA H . . 5.500 4.435 3.910 4.982 . 0 0 "[ . 1]" 1 793 1 52 ALA H 1 52 ALA HA . . 2.800 2.869 2.861 2.882 0.082 2 0 "[ . 1]" 1 794 1 52 ALA H 1 52 ALA MB . . 3.400 2.213 2.190 2.223 . 0 0 "[ . 1]" 1 795 1 52 ALA H 1 53 LEU H . . 2.800 2.745 2.706 2.809 0.009 6 0 "[ . 1]" 1 796 1 52 ALA H 1 54 LEU H . . 5.500 4.545 4.479 4.623 . 0 0 "[ . 1]" 1 797 1 52 ALA HA 1 53 LEU H . . 5.500 3.600 3.589 3.620 . 0 0 "[ . 1]" 1 798 1 52 ALA HA 1 54 LEU H . . 5.500 4.725 4.596 4.873 . 0 0 "[ . 1]" 1 799 1 52 ALA HA 1 55 ALA H . . 3.400 3.460 3.404 3.577 0.177 6 0 "[ . 1]" 1 800 1 52 ALA HA 1 56 SER H . . 5.500 3.804 3.636 3.883 . 0 0 "[ . 1]" 1 801 1 52 ALA MB 1 53 LEU H . . 3.400 2.697 2.645 2.745 . 0 0 "[ . 1]" 1 802 1 53 LEU H 1 53 LEU HB2 . . 3.400 2.166 2.043 2.216 . 0 0 "[ . 1]" 1 803 1 53 LEU H 1 53 LEU MD1 . . 5.500 4.113 3.900 4.184 . 0 0 "[ . 1]" 1 804 1 53 LEU H 1 53 LEU MD2 . . 5.500 4.371 4.342 4.395 . 0 0 "[ . 1]" 1 805 1 53 LEU H 1 53 LEU HG . . 5.500 4.083 3.758 4.179 . 0 0 "[ . 1]" 1 806 1 53 LEU H 1 54 LEU H . . 2.800 2.926 2.898 2.962 0.162 7 0 "[ . 1]" 1 807 1 53 LEU HA 1 54 LEU H . . 5.500 3.635 3.625 3.646 . 0 0 "[ . 1]" 1 808 1 53 LEU HA 1 56 SER H . . 5.500 3.620 3.540 3.776 . 0 0 "[ . 1]" 1 809 1 53 LEU HA 1 56 SER HB2 . . 3.400 2.811 2.628 2.984 . 0 0 "[ . 1]" 1 810 1 53 LEU HA 1 57 TRP H . . 5.500 3.950 3.842 4.079 . 0 0 "[ . 1]" 1 811 1 53 LEU HB2 1 54 LEU H . . 3.400 3.529 3.298 3.612 0.212 7 0 "[ . 1]" 1 812 1 53 LEU HB2 1 55 ALA H . . 5.500 5.676 5.535 5.777 0.277 7 0 "[ . 1]" 1 813 1 53 LEU MD2 1 54 LEU H . . 5.500 3.852 3.717 4.122 . 0 0 "[ . 1]" 1 814 1 53 LEU MD2 1 57 TRP H . . 5.500 3.538 3.396 3.834 . 0 0 "[ . 1]" 1 815 1 53 LEU HG 1 54 LEU H . . 5.500 5.041 4.988 5.118 . 0 0 "[ . 1]" 1 816 1 54 LEU H 1 54 LEU HB2 . . 3.400 2.416 2.163 2.541 . 0 0 "[ . 1]" 1 817 1 54 LEU H 1 54 LEU MD1 . . 5.500 3.546 2.987 3.741 . 0 0 "[ . 1]" 1 818 1 54 LEU H 1 54 LEU MD2 . . 5.500 3.596 3.262 4.322 . 0 0 "[ . 1]" 1 819 1 54 LEU H 1 54 LEU HG . . 3.400 2.484 2.254 3.255 . 0 0 "[ . 1]" 1 820 1 54 LEU H 1 55 ALA H . . 2.800 2.839 2.812 2.883 0.083 4 0 "[ . 1]" 1 821 1 54 LEU H 1 55 ALA MB . . 5.500 4.463 4.432 4.501 . 0 0 "[ . 1]" 1 822 1 54 LEU H 1 56 SER H . . 5.500 4.489 4.412 4.600 . 0 0 "[ . 1]" 1 823 1 54 LEU HA 1 55 ALA H . . 5.500 3.596 3.585 3.612 . 0 0 "[ . 1]" 1 824 1 54 LEU HA 1 56 SER H . . 5.500 4.725 4.685 4.795 . 0 0 "[ . 1]" 1 825 1 54 LEU HA 1 57 TRP H . . 5.500 3.409 3.269 3.551 . 0 0 "[ . 1]" 1 826 1 54 LEU HA 1 57 TRP HE3 . . 5.500 3.824 3.504 3.957 . 0 0 "[ . 1]" 1 827 1 54 LEU HA 1 58 ALA H . . 5.500 3.793 3.681 3.936 . 0 0 "[ . 1]" 1 828 1 54 LEU HB2 1 55 ALA H . . 5.500 2.787 2.639 3.021 . 0 0 "[ . 1]" 1 829 1 54 LEU MD1 1 55 ALA H . . 5.500 4.641 4.466 4.816 . 0 0 "[ . 1]" 1 830 1 54 LEU MD2 1 55 ALA H . . 5.500 4.830 4.785 4.884 . 0 0 "[ . 1]" 1 831 1 54 LEU MD2 1 57 TRP H . . 5.500 5.012 4.724 5.591 0.091 6 0 "[ . 1]" 1 832 1 54 LEU MD2 1 57 TRP HB2 . . 5.500 4.299 4.008 5.308 . 0 0 "[ . 1]" 1 833 1 54 LEU MD2 1 57 TRP HE3 . . 5.500 3.268 2.771 3.538 . 0 0 "[ . 1]" 1 834 1 54 LEU HG 1 55 ALA H . . 5.500 4.638 4.501 5.007 . 0 0 "[ . 1]" 1 835 1 55 ALA H 1 55 ALA HA . . 2.800 2.855 2.848 2.862 0.062 7 0 "[ . 1]" 1 836 1 55 ALA H 1 55 ALA MB . . 3.400 2.215 2.205 2.230 . 0 0 "[ . 1]" 1 837 1 55 ALA H 1 56 SER H . . 2.800 2.874 2.813 2.940 0.140 4 0 "[ . 1]" 1 838 1 55 ALA H 1 56 SER HB2 . . 5.500 4.914 4.826 5.006 . 0 0 "[ . 1]" 1 839 1 55 ALA H 1 57 TRP H . . 5.500 4.108 4.065 4.150 . 0 0 "[ . 1]" 1 840 1 55 ALA HA 1 56 SER H . . 3.400 3.622 3.605 3.639 0.239 2 0 "[ . 1]" 1 841 1 55 ALA HA 1 58 ALA H . . 5.500 3.650 3.472 3.725 . 0 0 "[ . 1]" 1 842 1 55 ALA HA 1 58 ALA MB . . 3.400 2.783 2.584 2.923 . 0 0 "[ . 1]" 1 843 1 55 ALA MB 1 56 SER H . . 3.400 2.436 2.369 2.485 . 0 0 "[ . 1]" 1 844 1 56 SER H 1 56 SER HA . . 2.800 2.866 2.852 2.888 0.088 8 0 "[ . 1]" 1 845 1 56 SER H 1 56 SER HB2 . . 3.400 2.381 2.184 2.442 . 0 0 "[ . 1]" 1 846 1 56 SER H 1 57 TRP H . . 2.800 2.768 2.726 2.809 0.009 2 0 "[ . 1]" 1 847 1 56 SER H 1 58 ALA H . . 5.500 4.404 4.309 4.503 . 0 0 "[ . 1]" 1 848 1 56 SER H 1 58 ALA MB . . 5.500 4.989 4.875 5.123 . 0 0 "[ . 1]" 1 849 1 56 SER H 1 59 THR MG . . 5.500 5.218 4.281 6.006 0.506 4 1 "[ +. 1]" 1 850 1 56 SER HA 1 57 TRP H . . 5.500 3.576 3.541 3.610 . 0 0 "[ . 1]" 1 851 1 56 SER HA 1 59 THR H . . 5.500 3.643 3.399 3.773 . 0 0 "[ . 1]" 1 852 1 56 SER HA 1 59 THR MG . . 5.500 3.074 2.154 4.101 . 0 0 "[ . 1]" 1 853 1 56 SER HB2 1 57 TRP H . . 5.500 2.962 2.805 3.343 . 0 0 "[ . 1]" 1 854 1 57 TRP H 1 57 TRP HB2 . . 3.400 2.405 2.348 2.480 . 0 0 "[ . 1]" 1 855 1 57 TRP H 1 57 TRP HB3 . . 3.400 2.657 2.591 2.695 . 0 0 "[ . 1]" 1 856 1 57 TRP H 1 58 ALA H . . 2.800 2.686 2.607 2.791 . 0 0 "[ . 1]" 1 857 1 57 TRP H 1 58 ALA MB . . 5.500 4.282 4.212 4.374 . 0 0 "[ . 1]" 1 858 1 57 TRP H 1 59 THR H . . 5.500 4.104 4.055 4.177 . 0 0 "[ . 1]" 1 859 1 57 TRP HA 1 58 ALA H . . 5.500 3.604 3.590 3.617 . 0 0 "[ . 1]" 1 860 1 57 TRP HA 1 59 THR H . . 5.500 3.822 3.726 4.109 . 0 0 "[ . 1]" 1 861 1 57 TRP HA 1 60 GLN H . . 5.500 4.284 4.084 4.378 . 0 0 "[ . 1]" 1 862 1 57 TRP HA 1 60 GLN HE21 . . 5.500 2.444 2.209 2.609 . 0 0 "[ . 1]" 1 863 1 57 TRP HA 1 60 GLN HE22 . . 5.500 4.091 3.857 4.267 . 0 0 "[ . 1]" 1 864 1 57 TRP HA 1 60 GLN HG2 . . 3.400 3.196 2.920 3.360 . 0 0 "[ . 1]" 1 865 1 57 TRP HB2 1 58 ALA H . . 5.500 3.819 3.744 3.910 . 0 0 "[ . 1]" 1 866 1 57 TRP HB3 1 58 ALA H . . 5.500 2.624 2.534 2.715 . 0 0 "[ . 1]" 1 867 1 57 TRP HD1 1 60 GLN HE21 . . 5.500 2.409 2.283 2.533 . 0 0 "[ . 1]" 1 868 1 57 TRP HD1 1 60 GLN HE22 . . 5.500 3.187 3.014 3.375 . 0 0 "[ . 1]" 1 869 1 57 TRP HE1 1 63 ALA HA . . 5.500 4.416 4.252 4.576 . 0 0 "[ . 1]" 1 870 1 57 TRP HE1 1 63 ALA MB . . 5.500 4.892 4.780 4.994 . 0 0 "[ . 1]" 1 871 1 57 TRP HE3 1 58 ALA H . . 5.500 4.189 3.998 4.318 . 0 0 "[ . 1]" 1 872 1 57 TRP HE3 1 58 ALA MB . . 5.500 4.239 4.055 4.378 . 0 0 "[ . 1]" 1 873 1 57 TRP HE3 1 63 ALA MB . . 5.500 2.907 2.770 3.079 . 0 0 "[ . 1]" 1 874 1 57 TRP HH2 1 63 ALA H . . 5.500 5.744 5.671 5.818 0.318 4 0 "[ . 1]" 1 875 1 57 TRP HH2 1 63 ALA HA . . 5.500 3.134 2.998 3.204 . 0 0 "[ . 1]" 1 876 1 57 TRP HH2 1 63 ALA MB . . 5.500 4.426 4.299 4.480 . 0 0 "[ . 1]" 1 877 1 57 TRP HH2 1 67 ALA MB . . 5.500 2.815 2.513 3.276 . 0 0 "[ . 1]" 1 878 1 57 TRP HH2 1 68 LEU H . . 5.500 2.494 2.374 2.792 . 0 0 "[ . 1]" 1 879 1 57 TRP HH2 1 68 LEU HB2 . . 3.400 2.210 2.129 2.339 . 0 0 "[ . 1]" 1 880 1 57 TRP HH2 1 68 LEU HB3 . . 5.500 3.812 3.577 3.963 . 0 0 "[ . 1]" 1 881 1 57 TRP HH2 1 68 LEU MD1 . . 5.500 3.796 3.196 4.881 . 0 0 "[ . 1]" 1 882 1 57 TRP HH2 1 68 LEU MD2 . . 5.500 4.115 3.695 4.356 . 0 0 "[ . 1]" 1 883 1 57 TRP HZ2 1 63 ALA H . . 5.500 5.332 5.181 5.422 . 0 0 "[ . 1]" 1 884 1 57 TRP HZ2 1 63 ALA HA . . 3.400 3.410 3.351 3.457 0.057 1 0 "[ . 1]" 1 885 1 57 TRP HZ2 1 63 ALA MB . . 5.500 4.794 4.746 4.825 . 0 0 "[ . 1]" 1 886 1 57 TRP HZ2 1 64 THR H . . 5.500 4.025 3.702 4.281 . 0 0 "[ . 1]" 1 887 1 57 TRP HZ2 1 67 ALA MB . . 2.800 2.737 2.597 2.909 0.109 7 0 "[ . 1]" 1 888 1 57 TRP HZ2 1 68 LEU H . . 5.500 4.218 4.064 4.353 . 0 0 "[ . 1]" 1 889 1 57 TRP HZ2 1 68 LEU HB2 . . 5.500 4.516 4.440 4.629 . 0 0 "[ . 1]" 1 890 1 57 TRP HZ2 1 68 LEU HB3 . . 5.500 5.941 5.897 6.035 0.535 1 1 "[+ . 1]" 1 891 1 57 TRP HZ2 1 68 LEU MD2 . . 5.500 5.098 4.855 5.243 . 0 0 "[ . 1]" 1 892 1 58 ALA H 1 58 ALA HA . . 2.800 2.830 2.816 2.846 0.046 2 0 "[ . 1]" 1 893 1 58 ALA H 1 58 ALA MB . . 3.400 2.186 2.174 2.206 . 0 0 "[ . 1]" 1 894 1 58 ALA H 1 59 THR H . . 2.800 2.950 2.886 2.998 0.198 9 0 "[ . 1]" 1 895 1 58 ALA H 1 60 GLN H . . 5.500 4.613 4.573 4.656 . 0 0 "[ . 1]" 1 896 1 58 ALA HA 1 59 THR H . . 3.400 3.458 3.413 3.552 0.152 2 0 "[ . 1]" 1 897 1 58 ALA HA 1 60 GLN H . . 3.400 3.439 3.367 3.557 0.157 6 0 "[ . 1]" 1 898 1 58 ALA HA 1 63 ALA MB . . 2.800 2.151 2.105 2.270 . 0 0 "[ . 1]" 1 899 1 58 ALA MB 1 59 THR H . . 3.400 3.216 3.087 3.288 . 0 0 "[ . 1]" 1 900 1 58 ALA MB 1 60 GLN H . . 5.500 4.421 4.360 4.466 . 0 0 "[ . 1]" 1 901 1 58 ALA MB 1 63 ALA MB . . 5.500 3.196 3.119 3.375 . 0 0 "[ . 1]" 1 902 1 59 THR H 1 59 THR HA . . 2.800 2.888 2.859 2.908 0.108 3 0 "[ . 1]" 1 903 1 59 THR H 1 59 THR HB . . 3.400 3.033 2.219 3.686 0.286 8 0 "[ . 1]" 1 904 1 59 THR H 1 60 GLN H . . 2.800 2.733 2.645 2.937 0.137 4 0 "[ . 1]" 1 905 1 59 THR H 1 60 GLN HA . . 5.500 5.398 5.346 5.503 0.003 4 0 "[ . 1]" 1 906 1 59 THR H 1 60 GLN HG2 . . 5.500 3.819 3.723 3.992 . 0 0 "[ . 1]" 1 907 1 59 THR HA 1 60 GLN H . . 3.400 3.395 3.306 3.433 0.033 1 0 "[ . 1]" 1 908 1 59 THR HB 1 60 GLN H . . 5.500 4.119 3.914 4.295 . 0 0 "[ . 1]" 1 909 1 59 THR MG 1 60 GLN H . . 5.500 3.709 2.868 4.556 . 0 0 "[ . 1]" 1 910 1 60 GLN H 1 60 GLN HA . . 2.800 2.989 2.981 2.993 0.193 6 0 "[ . 1]" 1 911 1 60 GLN H 1 60 GLN HE21 . . 5.500 4.471 4.381 4.578 . 0 0 "[ . 1]" 1 912 1 60 GLN H 1 60 GLN HG2 . . 5.500 2.367 2.261 2.513 . 0 0 "[ . 1]" 1 913 1 60 GLN H 1 60 GLN HG3 . . 5.500 2.758 2.651 2.853 . 0 0 "[ . 1]" 1 914 1 60 GLN H 1 61 ASP H . . 5.500 4.489 4.465 4.518 . 0 0 "[ . 1]" 1 915 1 60 GLN H 1 63 ALA MB . . 5.500 3.444 3.334 3.566 . 0 0 "[ . 1]" 1 916 1 60 GLN HA 1 61 ASP H . . 2.800 2.249 2.205 2.308 . 0 0 "[ . 1]" 1 917 1 60 GLN HA 1 62 SER H . . 5.500 4.030 3.985 4.131 . 0 0 "[ . 1]" 1 918 1 60 GLN HB2 1 61 ASP H . . 5.500 2.745 2.671 2.805 . 0 0 "[ . 1]" 1 919 1 60 GLN HB2 1 62 SER H . . 5.500 2.582 2.513 2.735 . 0 0 "[ . 1]" 1 920 1 60 GLN HB2 1 63 ALA H . . 5.500 4.440 4.372 4.532 . 0 0 "[ . 1]" 1 921 1 60 GLN HB2 1 63 ALA MB . . 5.500 5.183 5.106 5.301 . 0 0 "[ . 1]" 1 922 1 60 GLN HB3 1 61 ASP H . . 5.500 3.852 3.814 3.905 . 0 0 "[ . 1]" 1 923 1 60 GLN HB3 1 62 SER H . . 5.500 4.244 4.174 4.400 . 0 0 "[ . 1]" 1 924 1 60 GLN HB3 1 63 ALA MB . . 5.500 5.596 5.456 5.703 0.203 6 0 "[ . 1]" 1 925 1 60 GLN HG2 1 63 ALA MB . . 5.500 4.185 3.985 4.296 . 0 0 "[ . 1]" 1 926 1 60 GLN HG3 1 61 ASP H . . 5.500 4.280 4.203 4.360 . 0 0 "[ . 1]" 1 927 1 60 GLN HG3 1 63 ALA MB . . 5.500 3.347 3.257 3.524 . 0 0 "[ . 1]" 1 928 1 61 ASP H 1 62 SER H . . 5.500 2.826 2.768 2.917 . 0 0 "[ . 1]" 1 929 1 61 ASP H 1 63 ALA H . . 5.500 4.457 4.415 4.492 . 0 0 "[ . 1]" 1 930 1 61 ASP HA 1 62 SER H . . 3.400 3.473 3.448 3.530 0.130 1 0 "[ . 1]" 1 931 1 61 ASP QB 1 62 SER H . . 5.500 3.104 2.881 3.161 . 0 0 "[ . 1]" 1 932 1 61 ASP QB 1 63 ALA H . . 5.500 4.577 4.534 4.628 . 0 0 "[ . 1]" 1 933 1 61 ASP QB 1 64 THR HB . . 6.500 6.786 6.694 6.890 0.390 8 0 "[ . 1]" 1 934 1 61 ASP QB 1 64 THR MG . . 5.500 3.981 3.942 4.060 . 0 0 "[ . 1]" 1 935 1 62 SER H 1 62 SER HB2 . . 3.400 2.380 2.236 2.654 . 0 0 "[ . 1]" 1 936 1 62 SER H 1 63 ALA H . . 2.800 2.778 2.734 2.872 0.072 1 0 "[ . 1]" 1 937 1 62 SER H 1 63 ALA MB . . 5.500 4.383 4.335 4.458 . 0 0 "[ . 1]" 1 938 1 62 SER HA 1 63 ALA H . . 3.400 3.473 3.445 3.498 0.098 8 0 "[ . 1]" 1 939 1 62 SER HA 1 64 THR MG . . 5.500 2.974 2.859 3.055 . 0 0 "[ . 1]" 1 940 1 63 ALA H 1 63 ALA HA . . 2.800 2.855 2.838 2.876 0.076 8 0 "[ . 1]" 1 941 1 63 ALA H 1 63 ALA MB . . 3.400 2.210 2.183 2.230 . 0 0 "[ . 1]" 1 942 1 63 ALA H 1 64 THR H . . 5.500 3.516 3.417 3.663 . 0 0 "[ . 1]" 1 943 1 63 ALA H 1 64 THR MG . . 5.500 4.068 3.961 4.151 . 0 0 "[ . 1]" 1 944 1 63 ALA HA 1 64 THR H . . 2.800 2.776 2.587 2.869 0.069 10 0 "[ . 1]" 1 945 1 63 ALA HA 1 67 ALA MB . . 5.500 4.208 4.026 4.432 . 0 0 "[ . 1]" 1 946 1 63 ALA MB 1 64 THR H . . 5.500 3.770 3.753 3.796 . 0 0 "[ . 1]" 1 947 1 63 ALA MB 1 64 THR MG . . 5.500 4.414 4.353 4.477 . 0 0 "[ . 1]" 1 948 1 63 ALA MB 1 67 ALA MB . . 5.500 5.200 5.054 5.391 . 0 0 "[ . 1]" 1 949 1 64 THR H 1 65 LEU H . . 5.500 4.624 4.552 4.653 . 0 0 "[ . 1]" 1 950 1 64 THR H 1 67 ALA H . . 5.500 4.111 3.954 4.196 . 0 0 "[ . 1]" 1 951 1 64 THR H 1 67 ALA MB . . 3.400 2.831 2.635 2.924 . 0 0 "[ . 1]" 1 952 1 64 THR HA 1 65 LEU H . . 2.800 2.261 2.212 2.334 . 0 0 "[ . 1]" 1 953 1 64 THR HA 1 66 ASP H . . 5.500 4.164 4.077 4.323 . 0 0 "[ . 1]" 1 954 1 64 THR HA 1 67 ALA H . . 5.500 4.558 4.487 4.619 . 0 0 "[ . 1]" 1 955 1 64 THR HB 1 66 ASP H . . 3.400 3.106 2.963 3.287 . 0 0 "[ . 1]" 1 956 1 64 THR HB 1 67 ALA H . . 5.500 3.627 3.390 3.798 . 0 0 "[ . 1]" 1 957 1 64 THR MG 1 65 LEU H . . 5.500 4.133 4.018 4.303 . 0 0 "[ . 1]" 1 958 1 64 THR MG 1 66 ASP H . . 5.500 4.529 4.348 4.630 . 0 0 "[ . 1]" 1 959 1 64 THR MG 1 66 ASP HB2 . . 5.500 4.531 4.056 4.924 . 0 0 "[ . 1]" 1 960 1 64 THR MG 1 67 ALA H . . 5.500 3.900 3.778 4.002 . 0 0 "[ . 1]" 1 961 1 64 THR MG 1 67 ALA MB . . 5.500 3.213 3.021 3.413 . 0 0 "[ . 1]" 1 962 1 65 LEU H 1 65 LEU HA . . 2.800 2.874 2.850 2.906 0.106 8 0 "[ . 1]" 1 963 1 65 LEU H 1 65 LEU HB2 . . 3.400 2.174 2.078 2.553 . 0 0 "[ . 1]" 1 964 1 65 LEU H 1 65 LEU HB3 . . 3.400 3.264 2.826 3.617 0.217 4 0 "[ . 1]" 1 965 1 65 LEU H 1 65 LEU MD1 . . 5.500 4.007 3.133 4.346 . 0 0 "[ . 1]" 1 966 1 65 LEU H 1 65 LEU MD2 . . 5.500 3.412 2.972 4.134 . 0 0 "[ . 1]" 1 967 1 65 LEU H 1 65 LEU HG . . 5.500 3.837 2.181 4.474 . 0 0 "[ . 1]" 1 968 1 65 LEU H 1 66 ASP H . . 2.800 2.684 2.614 2.875 0.075 2 0 "[ . 1]" 1 969 1 65 LEU H 1 66 ASP HB2 . . 5.500 4.580 4.397 4.893 . 0 0 "[ . 1]" 1 970 1 65 LEU H 1 68 LEU H . . 5.500 4.758 4.652 4.846 . 0 0 "[ . 1]" 1 971 1 65 LEU HA 1 66 ASP H . . 5.500 3.578 3.551 3.624 . 0 0 "[ . 1]" 1 972 1 65 LEU HA 1 67 ALA H . . 5.500 4.346 4.268 4.427 . 0 0 "[ . 1]" 1 973 1 65 LEU HA 1 68 LEU H . . 3.400 3.219 3.102 3.341 . 0 0 "[ . 1]" 1 974 1 65 LEU HA 1 69 LEU H . . 5.500 3.709 3.547 4.025 . 0 0 "[ . 1]" 1 975 1 65 LEU HB2 1 66 ASP H . . 5.500 3.109 2.478 3.595 . 0 0 "[ . 1]" 1 976 1 65 LEU HB3 1 66 ASP H . . 5.500 3.020 2.649 3.601 . 0 0 "[ . 1]" 1 977 1 65 LEU HB3 1 67 ALA H . . 5.500 5.354 5.176 5.729 0.229 4 0 "[ . 1]" 1 978 1 65 LEU MD1 1 66 ASP H . . 5.500 4.370 3.898 4.614 . 0 0 "[ . 1]" 1 979 1 65 LEU MD2 1 66 ASP H . . 5.500 4.690 4.575 4.797 . 0 0 "[ . 1]" 1 980 1 65 LEU MD2 1 68 LEU H . . 5.500 4.834 4.674 4.994 . 0 0 "[ . 1]" 1 981 1 65 LEU MD2 1 68 LEU HB3 . . 5.500 3.615 3.081 4.155 . 0 0 "[ . 1]" 1 982 1 65 LEU MD2 1 68 LEU MD1 . . 3.400 3.066 2.655 3.624 0.224 8 0 "[ . 1]" 1 983 1 65 LEU MD2 1 69 LEU H . . 5.500 4.864 4.065 5.267 . 0 0 "[ . 1]" 1 984 1 65 LEU MD2 1 69 LEU HG . . 5.500 4.125 2.876 4.610 . 0 0 "[ . 1]" 1 985 1 65 LEU HG 1 66 ASP H . . 5.500 4.924 4.206 5.195 . 0 0 "[ . 1]" 1 986 1 66 ASP H 1 66 ASP HA . . 2.800 2.803 2.785 2.824 0.024 2 0 "[ . 1]" 1 987 1 66 ASP H 1 66 ASP HB2 . . 3.400 2.206 2.053 2.494 . 0 0 "[ . 1]" 1 988 1 66 ASP H 1 67 ALA H . . 2.800 2.932 2.850 2.990 0.190 4 0 "[ . 1]" 1 989 1 66 ASP H 1 67 ALA MB . . 5.500 4.567 4.474 4.638 . 0 0 "[ . 1]" 1 990 1 66 ASP HA 1 67 ALA H . . 5.500 3.595 3.579 3.635 . 0 0 "[ . 1]" 1 991 1 66 ASP HA 1 68 LEU H . . 5.500 4.611 4.427 4.668 . 0 0 "[ . 1]" 1 992 1 66 ASP HA 1 69 LEU H . . 5.500 3.887 3.624 4.020 . 0 0 "[ . 1]" 1 993 1 66 ASP HA 1 69 LEU HB2 . . 5.500 3.054 2.838 3.256 . 0 0 "[ . 1]" 1 994 1 66 ASP HA 1 69 LEU HG . . 5.500 4.033 3.490 4.231 . 0 0 "[ . 1]" 1 995 1 66 ASP HA 1 70 ALA H . . 5.500 4.135 3.815 4.357 . 0 0 "[ . 1]" 1 996 1 66 ASP HB2 1 67 ALA H . . 3.400 3.325 2.773 3.719 0.319 3 0 "[ . 1]" 1 997 1 67 ALA H 1 67 ALA HA . . 2.800 2.900 2.886 2.919 0.119 6 0 "[ . 1]" 1 998 1 67 ALA H 1 67 ALA MB . . 3.400 2.211 2.195 2.226 . 0 0 "[ . 1]" 1 999 1 67 ALA H 1 68 LEU H . . 2.800 2.646 2.578 2.737 . 0 0 "[ . 1]" 1 1000 1 67 ALA H 1 69 LEU H . . 5.500 4.342 4.302 4.383 . 0 0 "[ . 1]" 1 1001 1 67 ALA HA 1 68 LEU H . . 3.400 3.603 3.586 3.620 0.220 4 0 "[ . 1]" 1 1002 1 67 ALA HA 1 70 ALA H . . 3.400 3.566 3.432 3.676 0.276 3 0 "[ . 1]" 1 1003 1 67 ALA HA 1 70 ALA MB . . 2.800 2.566 2.486 2.635 . 0 0 "[ . 1]" 1 1004 1 67 ALA HA 1 71 ALA H . . 5.500 4.045 3.833 4.227 . 0 0 "[ . 1]" 1 1005 1 67 ALA MB 1 68 LEU H . . 3.400 2.646 2.591 2.716 . 0 0 "[ . 1]" 1 1006 1 67 ALA MB 1 68 LEU MD2 . . 5.500 5.286 5.035 5.415 . 0 0 "[ . 1]" 1 1007 1 68 LEU H 1 68 LEU HA . . 2.800 2.858 2.842 2.877 0.077 9 0 "[ . 1]" 1 1008 1 68 LEU H 1 68 LEU HB2 . . 3.400 2.209 2.123 2.459 . 0 0 "[ . 1]" 1 1009 1 68 LEU H 1 68 LEU HB3 . . 3.400 2.899 2.449 3.094 . 0 0 "[ . 1]" 1 1010 1 68 LEU H 1 68 LEU MD1 . . 5.500 4.183 4.129 4.218 . 0 0 "[ . 1]" 1 1011 1 68 LEU H 1 68 LEU MD2 . . 5.500 4.304 4.183 4.349 . 0 0 "[ . 1]" 1 1012 1 68 LEU H 1 68 LEU HG . . 5.500 4.137 3.965 4.519 . 0 0 "[ . 1]" 1 1013 1 68 LEU H 1 69 LEU H . . 2.800 2.751 2.672 2.832 0.032 3 0 "[ . 1]" 1 1014 1 68 LEU H 1 69 LEU MD2 . . 5.500 5.579 5.482 5.668 0.168 6 0 "[ . 1]" 1 1015 1 68 LEU H 1 69 LEU HG . . 5.500 4.458 4.390 4.551 . 0 0 "[ . 1]" 1 1016 1 68 LEU H 1 70 ALA H . . 5.500 4.208 4.162 4.258 . 0 0 "[ . 1]" 1 1017 1 68 LEU H 1 71 ALA MB . . 5.500 4.863 4.685 4.987 . 0 0 "[ . 1]" 1 1018 1 68 LEU HA 1 71 ALA H . . 3.400 3.615 3.557 3.670 0.270 4 0 "[ . 1]" 1 1019 1 68 LEU HA 1 71 ALA MB . . 3.400 2.838 2.724 2.942 . 0 0 "[ . 1]" 1 1020 1 68 LEU HB3 1 69 LEU H . . 5.000 2.504 2.413 2.567 . 0 0 "[ . 1]" 1 1021 1 68 LEU MD1 1 68 LEU MD2 . . 2.800 2.055 2.023 2.126 . 0 0 "[ . 1]" 1 1022 1 68 LEU MD1 1 69 LEU H . . 5.500 4.177 2.970 4.515 . 0 0 "[ . 1]" 1 1023 1 68 LEU MD1 1 71 ALA MB . . 5.500 5.204 4.661 5.400 . 0 0 "[ . 1]" 1 1024 1 68 LEU MD2 1 69 LEU H . . 5.500 4.004 3.846 4.193 . 0 0 "[ . 1]" 1 1025 1 68 LEU MD2 1 71 ALA MB . . 5.500 3.188 3.053 3.302 . 0 0 "[ . 1]" 1 1026 1 68 LEU MD2 1 72 LEU H . . 5.500 3.567 3.468 3.641 . 0 0 "[ . 1]" 1 1027 1 68 LEU HG 1 69 LEU H . . 5.500 4.977 4.762 5.073 . 0 0 "[ . 1]" 1 1028 1 69 LEU H 1 69 LEU HA . . 2.800 2.848 2.829 2.864 0.064 8 0 "[ . 1]" 1 1029 1 69 LEU H 1 69 LEU HB2 . . 3.400 2.488 2.444 2.546 . 0 0 "[ . 1]" 1 1030 1 69 LEU H 1 69 LEU MD1 . . 3.400 3.426 3.297 3.517 0.117 9 0 "[ . 1]" 1 1031 1 69 LEU H 1 69 LEU MD2 . . 5.500 3.479 3.414 3.539 . 0 0 "[ . 1]" 1 1032 1 69 LEU H 1 69 LEU HG . . 3.400 2.191 2.150 2.225 . 0 0 "[ . 1]" 1 1033 1 69 LEU H 1 70 ALA H . . 2.800 2.808 2.759 2.863 0.063 9 0 "[ . 1]" 1 1034 1 69 LEU H 1 71 ALA H . . 5.500 4.354 4.312 4.412 . 0 0 "[ . 1]" 1 1035 1 69 LEU H 1 81 VAL MG1 . . 5.500 5.320 4.939 5.524 0.024 6 0 "[ . 1]" 1 1036 1 69 LEU HA 1 70 ALA H . . 3.400 3.602 3.586 3.629 0.229 4 0 "[ . 1]" 1 1037 1 69 LEU HA 1 72 LEU H . . 3.400 3.574 3.480 3.888 0.488 2 0 "[ . 1]" 1 1038 1 69 LEU HA 1 72 LEU HB2 . . 5.500 2.582 2.476 2.859 . 0 0 "[ . 1]" 1 1039 1 69 LEU HA 1 72 LEU HB3 . . 5.500 4.116 4.038 4.226 . 0 0 "[ . 1]" 1 1040 1 69 LEU HA 1 73 ARG H . . 5.500 4.274 4.067 4.864 . 0 0 "[ . 1]" 1 1041 1 69 LEU HB2 1 70 ALA H . . 3.400 2.541 2.441 2.677 . 0 0 "[ . 1]" 1 1042 1 69 LEU HB2 1 81 VAL MG1 . . 5.500 4.405 3.738 4.653 . 0 0 "[ . 1]" 1 1043 1 69 LEU HB3 1 81 VAL MG1 . . 5.500 2.949 2.199 3.232 . 0 0 "[ . 1]" 1 1044 1 69 LEU MD1 1 70 ALA H . . 5.500 4.355 4.271 4.495 . 0 0 "[ . 1]" 1 1045 1 69 LEU MD2 1 70 ALA H . . 5.500 4.835 4.750 4.916 . 0 0 "[ . 1]" 1 1046 1 69 LEU MD2 1 81 VAL HA . . 3.400 3.213 2.487 3.652 0.252 2 0 "[ . 1]" 1 1047 1 69 LEU MD2 1 81 VAL MG2 . . 5.500 2.347 2.066 2.683 . 0 0 "[ . 1]" 1 1048 1 69 LEU MD2 1 84 LEU HB2 . . 5.500 4.112 3.056 4.664 . 0 0 "[ . 1]" 1 1049 1 69 LEU MD2 1 84 LEU HB3 . . 5.500 4.839 3.866 5.555 0.055 2 0 "[ . 1]" 1 1050 1 69 LEU MD2 1 85 CYS H . . 5.500 4.060 3.315 4.536 . 0 0 "[ . 1]" 1 1051 1 69 LEU HG 1 70 ALA H . . 5.500 4.390 4.338 4.449 . 0 0 "[ . 1]" 1 1052 1 70 ALA H 1 70 ALA HA . . 2.800 2.839 2.815 2.867 0.067 8 0 "[ . 1]" 1 1053 1 70 ALA H 1 70 ALA MB . . 3.400 2.211 2.199 2.228 . 0 0 "[ . 1]" 1 1054 1 70 ALA H 1 71 ALA H . . 2.800 2.875 2.809 2.943 0.143 1 0 "[ . 1]" 1 1055 1 70 ALA H 1 71 ALA MB . . 5.500 4.485 4.425 4.556 . 0 0 "[ . 1]" 1 1056 1 70 ALA HA 1 71 ALA H . . 5.500 3.624 3.598 3.644 . 0 0 "[ . 1]" 1 1057 1 70 ALA HA 1 73 ARG H . . 5.500 3.570 3.461 3.653 . 0 0 "[ . 1]" 1 1058 1 70 ALA HA 1 73 ARG HB2 . . 3.400 3.101 2.622 3.510 0.110 2 0 "[ . 1]" 1 1059 1 70 ALA HA 1 74 ARG H . . 5.500 4.710 4.439 4.843 . 0 0 "[ . 1]" 1 1060 1 70 ALA MB 1 71 ALA H . . 2.800 2.506 2.446 2.598 . 0 0 "[ . 1]" 1 1061 1 70 ALA MB 1 72 LEU H . . 5.500 4.670 4.586 4.731 . 0 0 "[ . 1]" 1 1062 1 70 ALA MB 1 74 ARG H . . 5.500 5.089 4.902 5.247 . 0 0 "[ . 1]" 1 1063 1 71 ALA H 1 71 ALA HA . . 2.800 2.851 2.820 2.882 0.082 5 0 "[ . 1]" 1 1064 1 71 ALA H 1 71 ALA MB . . 3.400 2.198 2.187 2.210 . 0 0 "[ . 1]" 1 1065 1 71 ALA H 1 72 LEU H . . 2.800 2.825 2.756 2.880 0.080 6 0 "[ . 1]" 1 1066 1 71 ALA HA 1 72 LEU H . . 5.500 3.607 3.563 3.618 . 0 0 "[ . 1]" 1 1067 1 71 ALA HA 1 73 ARG H . . 5.500 4.274 4.108 4.401 . 0 0 "[ . 1]" 1 1068 1 71 ALA HA 1 74 ARG H . . 3.400 3.403 3.341 3.479 0.079 6 0 "[ . 1]" 1 1069 1 71 ALA HA 1 74 ARG HB2 . . 5.500 3.241 2.947 3.404 . 0 0 "[ . 1]" 1 1070 1 71 ALA HA 1 74 ARG HB3 . . 5.500 4.662 4.505 4.779 . 0 0 "[ . 1]" 1 1071 1 71 ALA HA 1 75 ILE H . . 5.500 4.749 4.594 4.828 . 0 0 "[ . 1]" 1 1072 1 71 ALA MB 1 72 LEU H . . 3.400 2.580 2.529 2.637 . 0 0 "[ . 1]" 1 1073 1 71 ALA MB 1 72 LEU MD2 . . 5.500 4.631 2.662 4.976 . 0 0 "[ . 1]" 1 1074 1 71 ALA MB 1 72 LEU HG . . 5.500 3.932 3.687 4.633 . 0 0 "[ . 1]" 1 1075 1 71 ALA MB 1 73 ARG H . . 5.500 4.564 4.467 4.674 . 0 0 "[ . 1]" 1 1076 1 71 ALA MB 1 75 ILE H . . 5.500 5.084 4.844 5.181 . 0 0 "[ . 1]" 1 1077 1 71 ALA MB 1 75 ILE MD . . 5.500 4.228 3.981 4.354 . 0 0 "[ . 1]" 1 1078 1 71 ALA MB 1 75 ILE MG . . 5.500 4.041 3.966 4.162 . 0 0 "[ . 1]" 1 1079 1 72 LEU H 1 72 LEU HA . . 2.800 2.844 2.833 2.857 0.057 3 0 "[ . 1]" 1 1080 1 72 LEU H 1 72 LEU HB2 . . 3.400 2.271 2.122 2.309 . 0 0 "[ . 1]" 1 1081 1 72 LEU H 1 72 LEU HB3 . . 3.400 3.541 3.445 3.562 0.162 1 0 "[ . 1]" 1 1082 1 72 LEU H 1 72 LEU MD1 . . 5.500 3.407 3.170 4.156 . 0 0 "[ . 1]" 1 1083 1 72 LEU H 1 72 LEU MD2 . . 5.500 3.898 2.384 4.170 . 0 0 "[ . 1]" 1 1084 1 72 LEU H 1 72 LEU HG . . 3.400 2.849 2.653 3.400 . 0 0 "[ . 1]" 1 1085 1 72 LEU H 1 73 ARG H . . 5.500 2.842 2.801 2.867 . 0 0 "[ . 1]" 1 1086 1 72 LEU H 1 81 VAL MG2 . . 5.500 4.076 3.894 4.187 . 0 0 "[ . 1]" 1 1087 1 72 LEU HA 1 73 ARG H . . 5.500 3.582 3.520 3.613 . 0 0 "[ . 1]" 1 1088 1 72 LEU HA 1 74 ARG H . . 5.500 4.347 4.279 4.464 . 0 0 "[ . 1]" 1 1089 1 72 LEU HA 1 75 ILE H . . 3.400 3.540 3.465 3.612 0.212 2 0 "[ . 1]" 1 1090 1 72 LEU HA 1 75 ILE HB . . 5.500 4.946 4.906 5.001 . 0 0 "[ . 1]" 1 1091 1 72 LEU HA 1 75 ILE MD . . 3.400 2.447 2.273 2.567 . 0 0 "[ . 1]" 1 1092 1 72 LEU HA 1 75 ILE HG12 . . 2.800 2.105 2.058 2.156 . 0 0 "[ . 1]" 1 1093 1 72 LEU HA 1 75 ILE HG13 . . 3.400 2.926 2.842 3.021 . 0 0 "[ . 1]" 1 1094 1 72 LEU HB2 1 73 ARG H . . 3.400 2.921 2.791 3.122 . 0 0 "[ . 1]" 1 1095 1 72 LEU HB2 1 81 VAL MG1 . . 5.500 4.141 3.940 4.314 . 0 0 "[ . 1]" 1 1096 1 72 LEU HB2 1 81 VAL MG2 . . 5.500 2.268 2.124 2.352 . 0 0 "[ . 1]" 1 1097 1 72 LEU HB3 1 73 ARG H . . 5.500 3.526 3.417 3.624 . 0 0 "[ . 1]" 1 1098 1 72 LEU HB3 1 81 VAL MG2 . . 5.500 2.079 2.002 2.595 . 0 0 "[ . 1]" 1 1099 1 72 LEU MD1 1 73 ARG H . . 5.500 4.708 4.581 5.017 . 0 0 "[ . 1]" 1 1100 1 72 LEU MD1 1 81 VAL H . . 5.500 3.896 3.004 4.309 . 0 0 "[ . 1]" 1 1101 1 72 LEU MD1 1 81 VAL MG1 . . 5.500 3.822 3.689 4.290 . 0 0 "[ . 1]" 1 1102 1 72 LEU MD1 1 81 VAL MG2 . . 5.500 2.050 1.941 2.228 . 0 0 "[ . 1]" 1 1103 1 72 LEU MD2 1 73 ARG H . . 5.500 4.883 4.494 4.990 . 0 0 "[ . 1]" 1 1104 1 72 LEU MD2 1 75 ILE MD . . 5.500 2.110 2.042 2.140 . 0 0 "[ . 1]" 1 1105 1 72 LEU MD2 1 77 ARG H . . 5.500 4.422 4.182 5.319 . 0 0 "[ . 1]" 1 1106 1 72 LEU MD2 1 80 LEU HB3 . . 5.500 3.257 2.459 5.096 . 0 0 "[ . 1]" 1 1107 1 72 LEU MD2 1 81 VAL MG2 . . 5.500 2.757 2.467 3.389 . 0 0 "[ . 1]" 1 1108 1 73 ARG H 1 73 ARG HA . . 2.800 2.878 2.847 2.933 0.133 2 0 "[ . 1]" 1 1109 1 73 ARG H 1 73 ARG HD2 . . 5.500 4.776 3.962 5.628 0.128 8 0 "[ . 1]" 1 1110 1 73 ARG H 1 73 ARG HG3 . . 5.500 3.694 2.783 4.574 . 0 0 "[ . 1]" 1 1111 1 73 ARG H 1 74 ARG H . . 5.500 2.749 2.523 2.814 . 0 0 "[ . 1]" 1 1112 1 73 ARG H 1 75 ILE H . . 5.500 4.300 4.244 4.352 . 0 0 "[ . 1]" 1 1113 1 73 ARG H 1 78 ALA MB . . 5.500 5.159 3.458 5.636 0.136 6 0 "[ . 1]" 1 1114 1 73 ARG H 1 81 VAL MG2 . . 5.500 3.689 3.104 4.716 . 0 0 "[ . 1]" 1 1115 1 73 ARG HA 1 74 ARG H . . 5.500 3.548 3.539 3.559 . 0 0 "[ . 1]" 1 1116 1 73 ARG HA 1 75 ILE H . . 5.500 4.280 4.158 4.546 . 0 0 "[ . 1]" 1 1117 1 73 ARG HA 1 76 GLN H . . 5.500 3.894 3.702 4.027 . 0 0 "[ . 1]" 1 1118 1 73 ARG HA 1 77 ARG H . . 3.400 3.336 3.153 3.650 0.250 2 0 "[ . 1]" 1 1119 1 73 ARG HA 1 78 ALA H . . 5.500 3.563 3.251 3.872 . 0 0 "[ . 1]" 1 1120 1 73 ARG HG2 1 81 VAL MG2 . . 5.500 4.173 2.992 5.394 . 0 0 "[ . 1]" 1 1121 1 73 ARG HG3 1 74 ARG HD2 . . 5.000 5.141 4.946 5.450 0.450 1 0 "[ . 1]" 1 1122 1 73 ARG HG3 1 81 VAL MG2 . . 5.500 4.950 4.304 5.494 . 0 0 "[ . 1]" 1 1123 1 74 ARG H 1 74 ARG HA . . 2.800 2.887 2.869 2.893 0.093 7 0 "[ . 1]" 1 1124 1 74 ARG H 1 74 ARG HB2 . . 3.400 2.637 2.469 2.710 . 0 0 "[ . 1]" 1 1125 1 74 ARG H 1 74 ARG HD2 . . 5.500 2.963 2.761 3.445 . 0 0 "[ . 1]" 1 1126 1 74 ARG H 1 74 ARG HG2 . . 3.400 2.272 2.196 2.406 . 0 0 "[ . 1]" 1 1127 1 74 ARG H 1 74 ARG HG3 . . 5.500 3.740 3.690 3.805 . 0 0 "[ . 1]" 1 1128 1 74 ARG H 1 75 ILE H . . 2.800 2.703 2.654 2.767 . 0 0 "[ . 1]" 1 1129 1 74 ARG H 1 75 ILE HG12 . . 5.500 4.089 3.907 4.264 . 0 0 "[ . 1]" 1 1130 1 74 ARG H 1 75 ILE MG . . 5.500 4.214 4.076 4.452 . 0 0 "[ . 1]" 1 1131 1 74 ARG HA 1 75 ILE H . . 5.500 3.504 3.480 3.528 . 0 0 "[ . 1]" 1 1132 1 74 ARG HA 1 76 GLN H . . 5.500 3.764 3.689 3.823 . 0 0 "[ . 1]" 1 1133 1 74 ARG HB2 1 75 ILE H . . 5.500 2.809 2.529 2.973 . 0 0 "[ . 1]" 1 1134 1 74 ARG HB3 1 75 ILE H . . 5.500 3.859 3.700 3.948 . 0 0 "[ . 1]" 1 1135 1 75 ILE H 1 75 ILE HB . . 3.400 3.699 3.659 3.722 0.322 10 0 "[ . 1]" 1 1136 1 75 ILE H 1 75 ILE MD . . 5.500 3.770 3.583 3.857 . 0 0 "[ . 1]" 1 1137 1 75 ILE H 1 75 ILE HG12 . . 5.500 2.092 1.920 2.196 . 0 0 "[ . 1]" 1 1138 1 75 ILE H 1 75 ILE MG . . 3.400 2.450 2.399 2.515 . 0 0 "[ . 1]" 1 1139 1 75 ILE H 1 76 GLN H . . 2.800 2.780 2.716 2.854 0.054 2 0 "[ . 1]" 1 1140 1 75 ILE H 1 76 GLN HG2 . . 5.500 5.245 5.183 5.323 . 0 0 "[ . 1]" 1 1141 1 75 ILE H 1 77 ARG H . . 5.500 3.835 3.613 4.095 . 0 0 "[ . 1]" 1 1142 1 75 ILE HA 1 77 ARG H . . 5.500 4.957 4.881 5.095 . 0 0 "[ . 1]" 1 1143 1 75 ILE HB 1 76 GLN H . . 5.500 4.503 4.432 4.538 . 0 0 "[ . 1]" 1 1144 1 75 ILE HB 1 77 ARG H . . 5.500 4.958 4.454 5.242 . 0 0 "[ . 1]" 1 1145 1 75 ILE MD 1 77 ARG H . . 5.500 4.397 3.950 4.622 . 0 0 "[ . 1]" 1 1146 1 75 ILE MD 1 77 ARG HG2 . . 5.500 2.979 2.388 3.436 . 0 0 "[ . 1]" 1 1147 1 75 ILE HG12 1 76 GLN H . . 5.500 4.179 3.835 4.345 . 0 0 "[ . 1]" 1 1148 1 75 ILE HG13 1 77 ARG H . . 3.400 2.937 2.455 3.207 . 0 0 "[ . 1]" 1 1149 1 75 ILE HG13 1 77 ARG HG2 . . 5.500 2.343 2.174 2.709 . 0 0 "[ . 1]" 1 1150 1 75 ILE MG 1 76 GLN H . . 5.500 4.338 4.300 4.391 . 0 0 "[ . 1]" 1 1151 1 75 ILE MG 1 77 ARG H . . 5.500 5.168 5.001 5.326 . 0 0 "[ . 1]" 1 1152 1 76 GLN H 1 76 GLN HA . . 2.800 2.257 2.247 2.274 . 0 0 "[ . 1]" 1 1153 1 76 GLN H 1 76 GLN HB2 . . 3.400 3.444 3.391 3.481 0.081 8 0 "[ . 1]" 1 1154 1 76 GLN H 1 76 GLN HG2 . . 5.500 2.682 2.591 2.753 . 0 0 "[ . 1]" 1 1155 1 76 GLN H 1 77 ARG H . . 2.800 2.881 2.773 2.937 0.137 2 0 "[ . 1]" 1 1156 1 76 GLN H 1 77 ARG HG2 . . 5.500 4.846 4.649 5.469 . 0 0 "[ . 1]" 1 1157 1 76 GLN HA 1 77 ARG H . . 2.800 2.704 2.581 2.828 0.028 2 0 "[ . 1]" 1 1158 1 76 GLN HA 1 78 ALA H . . 5.500 3.290 3.076 3.699 . 0 0 "[ . 1]" 1 1159 1 76 GLN HB2 1 77 ARG H . . 5.500 4.436 4.405 4.481 . 0 0 "[ . 1]" 1 1160 1 77 ARG H 1 77 ARG HB3 . . 3.400 3.674 3.349 3.755 0.355 6 0 "[ . 1]" 1 1161 1 77 ARG H 1 77 ARG HD2 . . 5.500 5.083 4.923 5.214 . 0 0 "[ . 1]" 1 1162 1 77 ARG H 1 77 ARG HG2 . . 3.400 3.192 3.101 3.514 0.114 2 0 "[ . 1]" 1 1163 1 77 ARG H 1 78 ALA H . . 3.400 2.613 2.502 2.733 . 0 0 "[ . 1]" 1 1164 1 77 ARG H 1 78 ALA MB . . 5.500 4.102 3.899 4.214 . 0 0 "[ . 1]" 1 1165 1 77 ARG HA 1 78 ALA H . . 2.800 2.976 2.804 3.102 0.302 9 0 "[ . 1]" 1 1166 1 77 ARG HA 1 79 ASP H . . 3.400 3.225 2.798 3.366 . 0 0 "[ . 1]" 1 1167 1 77 ARG HA 1 80 LEU H . . 5.500 3.483 3.278 4.286 . 0 0 "[ . 1]" 1 1168 1 77 ARG HB2 1 78 ALA H . . 5.500 4.157 4.013 4.525 . 0 0 "[ . 1]" 1 1169 1 77 ARG HB2 1 79 ASP H . . 5.500 5.393 4.101 5.619 0.119 3 0 "[ . 1]" 1 1170 1 77 ARG HB2 1 80 LEU H . . 5.500 4.989 3.822 5.357 . 0 0 "[ . 1]" 1 1171 1 77 ARG HB2 1 80 LEU MD1 . . 5.500 4.819 3.768 5.465 . 0 0 "[ . 1]" 1 1172 1 77 ARG HB3 1 79 ASP H . . 5.500 4.904 4.552 5.057 . 0 0 "[ . 1]" 1 1173 1 77 ARG HD2 1 78 ALA H . . 5.500 5.773 5.467 5.955 0.455 6 0 "[ . 1]" 1 1174 1 77 ARG HD2 1 79 ASP H . . 5.500 5.539 4.938 5.802 0.302 1 0 "[ . 1]" 1 1175 1 77 ARG HG2 1 80 LEU MD1 . . 5.500 5.007 4.694 5.211 . 0 0 "[ . 1]" 1 1176 1 78 ALA H 1 78 ALA MB . . 3.400 2.196 2.166 2.221 . 0 0 "[ . 1]" 1 1177 1 78 ALA H 1 79 ASP H . . 2.800 2.837 2.807 2.880 0.080 4 0 "[ . 1]" 1 1178 1 78 ALA H 1 80 LEU H . . 5.500 4.787 4.582 4.993 . 0 0 "[ . 1]" 1 1179 1 78 ALA HA 1 79 ASP H . . 3.400 3.508 3.373 3.568 0.168 3 0 "[ . 1]" 1 1180 1 78 ALA HA 1 80 LEU H . . 5.500 4.724 4.018 4.967 . 0 0 "[ . 1]" 1 1181 1 78 ALA HA 1 81 VAL H . . 3.400 3.376 2.843 3.519 0.119 10 0 "[ . 1]" 1 1182 1 78 ALA HA 1 81 VAL HB . . 2.800 2.182 2.082 2.363 . 0 0 "[ . 1]" 1 1183 1 78 ALA HA 1 81 VAL MG2 . . 5.500 2.736 2.418 3.137 . 0 0 "[ . 1]" 1 1184 1 78 ALA HA 1 82 GLU H . . 5.500 4.139 3.875 4.596 . 0 0 "[ . 1]" 1 1185 1 78 ALA MB 1 79 ASP H . . 3.400 2.860 2.712 3.309 . 0 0 "[ . 1]" 1 1186 1 78 ALA MB 1 80 LEU H . . 5.500 5.018 4.854 5.183 . 0 0 "[ . 1]" 1 1187 1 78 ALA MB 1 81 VAL HB . . 5.500 3.621 2.881 3.839 . 0 0 "[ . 1]" 1 1188 1 78 ALA MB 1 81 VAL MG1 . . 5.500 3.933 2.914 4.244 . 0 0 "[ . 1]" 1 1189 1 78 ALA MB 1 82 GLU H . . 5.500 4.627 4.401 4.869 . 0 0 "[ . 1]" 1 1190 1 79 ASP H 1 79 ASP HA . . 2.800 2.865 2.826 2.909 0.109 8 0 "[ . 1]" 1 1191 1 79 ASP H 1 80 LEU H . . 2.800 2.917 2.641 3.033 0.233 9 0 "[ . 1]" 1 1192 1 79 ASP H 1 80 LEU HA . . 6.000 5.474 5.262 5.545 . 0 0 "[ . 1]" 1 1193 1 79 ASP H 1 80 LEU HG . . 6.000 6.396 6.210 6.559 0.559 4 2 "[ +. -1]" 1 1194 1 79 ASP HA 1 80 LEU H . . 5.500 3.614 3.594 3.634 . 0 0 "[ . 1]" 1 1195 1 79 ASP HA 1 81 VAL H . . 5.500 4.496 4.240 4.600 . 0 0 "[ . 1]" 1 1196 1 79 ASP HA 1 82 GLU H . . 5.500 3.790 3.553 3.958 . 0 0 "[ . 1]" 1 1197 1 79 ASP HA 1 82 GLU HB3 . . 3.400 3.482 3.224 3.700 0.300 2 0 "[ . 1]" 1 1198 1 79 ASP HA 1 83 SER H . . 5.500 4.778 4.527 5.034 . 0 0 "[ . 1]" 1 1199 1 79 ASP HB2 1 80 LEU H . . 5.500 3.188 2.928 3.490 . 0 0 "[ . 1]" 1 1200 1 79 ASP HB3 1 80 LEU H . . 5.500 3.933 3.818 4.054 . 0 0 "[ . 1]" 1 1201 1 79 ASP HB3 2 139 MET ME . . 5.500 5.447 5.319 5.565 0.065 8 0 "[ . 1]" 1 1202 1 79 ASP HB3 2 139 MET HG2 . . 5.500 5.525 5.417 5.658 0.158 8 0 "[ . 1]" 1 1203 1 80 LEU H 1 80 LEU HB3 . . 3.400 3.278 3.219 3.358 . 0 0 "[ . 1]" 1 1204 1 80 LEU H 1 80 LEU MD2 . . 5.500 4.217 4.093 4.326 . 0 0 "[ . 1]" 1 1205 1 80 LEU H 1 80 LEU HG . . 5.000 3.562 3.312 3.782 . 0 0 "[ . 1]" 1 1206 1 80 LEU H 1 81 VAL H . . 2.800 2.747 2.661 2.906 0.106 6 0 "[ . 1]" 1 1207 1 80 LEU H 1 81 VAL MG2 . . 5.500 4.530 4.218 4.997 . 0 0 "[ . 1]" 1 1208 1 80 LEU H 1 82 GLU H . . 5.500 4.576 4.411 4.688 . 0 0 "[ . 1]" 1 1209 1 80 LEU HA 1 81 VAL H . . 5.500 3.524 3.485 3.557 . 0 0 "[ . 1]" 1 1210 1 80 LEU HA 1 82 GLU H . . 5.500 4.532 4.297 4.640 . 0 0 "[ . 1]" 1 1211 1 80 LEU HA 1 83 SER H . . 3.400 3.486 3.193 3.638 0.238 2 0 "[ . 1]" 1 1212 1 80 LEU HA 1 83 SER HB2 . . 5.500 3.434 2.978 3.979 . 0 0 "[ . 1]" 1 1213 1 80 LEU HB2 1 80 LEU MD1 . . 3.400 2.341 2.207 2.399 . 0 0 "[ . 1]" 1 1214 1 80 LEU HB2 1 81 VAL H . . 5.500 3.292 3.177 3.525 . 0 0 "[ . 1]" 1 1215 1 80 LEU HB2 1 84 LEU MD1 . . 5.500 5.114 4.915 5.481 . 0 0 "[ . 1]" 1 1216 1 80 LEU HB2 2 169 LYS HB2 . . 5.500 5.533 5.302 5.729 0.229 3 0 "[ . 1]" 1 1217 1 80 LEU HB3 1 80 LEU MD1 . . 3.400 2.392 2.282 2.638 . 0 0 "[ . 1]" 1 1218 1 80 LEU HB3 1 81 VAL H . . 3.400 3.060 2.925 3.240 . 0 0 "[ . 1]" 1 1219 1 80 LEU MD1 1 81 VAL H . . 5.500 4.837 4.701 5.023 . 0 0 "[ . 1]" 1 1220 1 80 LEU MD1 1 83 SER HB2 . . 5.500 5.560 5.174 5.956 0.456 5 0 "[ . 1]" 1 1221 1 80 LEU MD2 1 81 VAL H . . 5.500 4.449 4.361 4.563 . 0 0 "[ . 1]" 1 1222 1 80 LEU MD2 1 83 SER H . . 5.500 4.373 3.930 4.690 . 0 0 "[ . 1]" 1 1223 1 80 LEU MD2 1 84 LEU H . . 5.500 3.903 3.466 4.119 . 0 0 "[ . 1]" 1 1224 1 81 VAL H 1 81 VAL HB . . 3.400 2.325 2.093 2.458 . 0 0 "[ . 1]" 1 1225 1 81 VAL H 1 81 VAL MG2 . . 3.400 2.409 2.220 2.926 . 0 0 "[ . 1]" 1 1226 1 81 VAL H 1 82 GLU H . . 2.800 2.967 2.781 3.034 0.234 4 0 "[ . 1]" 1 1227 1 81 VAL H 1 82 GLU HA . . 5.500 5.525 5.408 5.572 0.072 6 0 "[ . 1]" 1 1228 1 81 VAL HA 1 82 GLU H . . 5.500 3.625 3.595 3.635 . 0 0 "[ . 1]" 1 1229 1 81 VAL HA 1 83 SER H . . 5.500 4.588 4.328 4.696 . 0 0 "[ . 1]" 1 1230 1 81 VAL HA 1 84 LEU H . . 5.500 3.650 3.375 3.937 . 0 0 "[ . 1]" 1 1231 1 81 VAL HA 1 84 LEU HB2 . . 3.400 3.163 2.994 3.518 0.118 8 0 "[ . 1]" 1 1232 1 81 VAL HA 1 84 LEU HB3 . . 5.500 4.854 4.655 5.257 . 0 0 "[ . 1]" 1 1233 1 81 VAL HA 1 85 CYS H . . 5.500 3.892 3.732 4.260 . 0 0 "[ . 1]" 1 1234 1 81 VAL HB 1 82 GLU H . . 3.400 2.639 2.476 3.141 . 0 0 "[ . 1]" 1 1235 1 81 VAL MG1 1 82 GLU H . . 5.500 2.899 2.711 3.236 . 0 0 "[ . 1]" 1 1236 1 81 VAL MG1 1 82 GLU HA . . 5.500 3.147 3.005 3.346 . 0 0 "[ . 1]" 1 1237 1 81 VAL MG2 1 82 GLU H . . 5.500 4.025 3.943 4.224 . 0 0 "[ . 1]" 1 1238 1 82 GLU H 1 82 GLU HA . . 2.800 2.832 2.809 2.857 0.057 8 0 "[ . 1]" 1 1239 1 82 GLU H 1 82 GLU HG2 . . 5.500 4.474 4.426 4.579 . 0 0 "[ . 1]" 1 1240 1 82 GLU H 1 83 SER H . . 2.800 2.880 2.773 2.932 0.132 1 0 "[ . 1]" 1 1241 1 82 GLU H 1 84 LEU H . . 5.500 4.462 4.299 4.629 . 0 0 "[ . 1]" 1 1242 1 82 GLU HA 1 83 SER H . . 3.400 3.596 3.533 3.648 0.248 8 0 "[ . 1]" 1 1243 1 82 GLU HA 1 84 LEU H . . 5.500 4.553 4.349 4.730 . 0 0 "[ . 1]" 1 1244 1 82 GLU HA 1 85 CYS H . . 3.400 3.602 3.453 3.733 0.333 5 0 "[ . 1]" 1 1245 1 82 GLU HA 1 85 CYS HB2 . . 5.500 3.469 2.339 4.599 . 0 0 "[ . 1]" 1 1246 1 82 GLU HB3 1 83 SER H . . 3.400 2.775 2.620 2.897 . 0 0 "[ . 1]" 1 1247 1 82 GLU HG2 1 83 SER H . . 5.500 3.879 3.660 4.545 . 0 0 "[ . 1]" 1 1248 1 83 SER H 1 83 SER HA . . 2.800 2.820 2.788 2.866 0.066 1 0 "[ . 1]" 1 1249 1 83 SER H 1 83 SER HB2 . . 3.400 2.961 2.733 3.343 . 0 0 "[ . 1]" 1 1250 1 83 SER H 1 84 LEU H . . 2.800 2.847 2.773 2.962 0.162 8 0 "[ . 1]" 1 1251 1 83 SER H 1 84 LEU MD2 . . 5.500 5.374 5.148 5.719 0.219 9 0 "[ . 1]" 1 1252 1 83 SER HA 1 84 LEU H . . 3.400 3.580 3.542 3.607 0.207 1 0 "[ . 1]" 1 1253 1 83 SER HA 1 85 CYS H . . 5.500 4.595 4.039 4.754 . 0 0 "[ . 1]" 1 1254 1 83 SER HA 1 86 SER H . . 5.500 3.809 3.557 4.054 . 0 0 "[ . 1]" 1 1255 1 83 SER HA 1 86 SER HB2 . . 5.500 3.803 2.910 4.290 . 0 0 "[ . 1]" 1 1256 1 83 SER HB2 1 84 LEU H . . 3.400 2.627 2.282 3.364 . 0 0 "[ . 1]" 1 1257 1 83 SER HB2 1 84 LEU MD2 . . 5.500 3.324 2.913 4.057 . 0 0 "[ . 1]" 1 1258 1 83 SER HB2 2 167 THR MG . . 5.500 3.859 3.483 4.384 . 0 0 "[ . 1]" 1 1259 1 83 SER HB3 2 167 THR MG . . 5.500 3.627 2.738 3.923 . 0 0 "[ . 1]" 1 1260 1 84 LEU H 1 84 LEU HA . . 2.800 2.937 2.894 2.977 0.177 9 0 "[ . 1]" 1 1261 1 84 LEU H 1 84 LEU HB2 . . 3.400 2.417 2.357 2.501 . 0 0 "[ . 1]" 1 1262 1 84 LEU H 1 84 LEU HB3 . . 3.400 3.600 3.573 3.635 0.235 3 0 "[ . 1]" 1 1263 1 84 LEU H 1 84 LEU MD1 . . 5.500 3.748 3.642 3.865 . 0 0 "[ . 1]" 1 1264 1 84 LEU H 1 84 LEU HG . . 5.000 2.482 2.238 2.897 . 0 0 "[ . 1]" 1 1265 1 84 LEU H 1 85 CYS H . . 2.800 2.477 2.287 2.648 . 0 0 "[ . 1]" 1 1266 1 84 LEU H 1 86 SER H . . 5.500 4.036 3.922 4.306 . 0 0 "[ . 1]" 1 1267 1 84 LEU HA 1 85 CYS H . . 3.400 3.523 3.394 3.565 0.165 3 0 "[ . 1]" 1 1268 1 84 LEU HA 1 86 SER H . . 5.500 3.975 3.654 4.460 . 0 0 "[ . 1]" 1 1269 1 84 LEU HA 1 87 GLU H . . 5.500 3.892 3.365 4.163 . 0 0 "[ . 1]" 1 1270 1 84 LEU HA 1 87 GLU HB2 . . 5.500 4.692 2.627 5.415 . 0 0 "[ . 1]" 1 1271 1 84 LEU HB2 1 85 CYS H . . 3.400 2.854 2.689 3.276 . 0 0 "[ . 1]" 1 1272 1 84 LEU HB3 1 85 CYS H . . 3.400 3.805 3.681 4.016 0.616 9 1 "[ . +1]" 1 1273 1 84 LEU MD1 1 85 CYS H . . 5.500 4.767 4.640 5.051 . 0 0 "[ . 1]" 1 1274 1 84 LEU MD2 1 85 CYS H . . 5.500 4.719 4.650 4.812 . 0 0 "[ . 1]" 1 1275 1 84 LEU MD2 1 88 SER HB2 . . 5.500 5.655 5.407 5.775 0.275 6 0 "[ . 1]" 1 1276 1 84 LEU MD2 2 167 THR MG . . 5.500 5.844 5.660 6.014 0.514 1 1 "[+ . 1]" 1 1277 1 84 LEU HG 1 85 CYS H . . 5.500 4.492 4.351 4.813 . 0 0 "[ . 1]" 1 1278 1 85 CYS H 1 85 CYS HA . . 2.800 2.854 2.828 2.939 0.139 9 0 "[ . 1]" 1 1279 1 85 CYS HA 1 86 SER H . . 3.400 3.545 3.461 3.615 0.215 8 0 "[ . 1]" 1 1280 1 85 CYS HA 1 88 SER H . . 5.500 2.936 2.714 3.146 . 0 0 "[ . 1]" 1 1281 1 85 CYS HA 1 88 SER HB2 . . 5.500 2.772 2.210 3.715 . 0 0 "[ . 1]" 1 1282 1 86 SER H 1 86 SER HB2 . . 3.400 2.499 2.220 2.677 . 0 0 "[ . 1]" 1 1283 1 86 SER H 1 87 GLU H . . 5.500 3.000 2.793 3.125 . 0 0 "[ . 1]" 1 1284 1 86 SER HA 1 87 GLU H . . 3.400 3.577 3.446 3.629 0.229 2 0 "[ . 1]" 1 1285 1 86 SER HA 1 89 THR H . . 5.500 4.787 4.229 5.666 0.166 3 0 "[ . 1]" 1 1286 1 86 SER HB2 1 87 GLU H . . 3.400 2.886 2.619 3.835 0.435 5 0 "[ . 1]" 1 1287 1 87 GLU H 1 87 GLU HG2 . . 5.500 4.311 3.753 4.749 . 0 0 "[ . 1]" 1 1288 1 87 GLU HA 1 88 SER H . . 3.400 3.539 3.502 3.574 0.174 5 0 "[ . 1]" 1 1289 1 87 GLU HB3 2 70 GLN HG2 . . 5.500 5.198 4.660 5.749 0.249 3 0 "[ . 1]" 1 1290 1 87 GLU HG2 2 70 GLN HG2 . . 5.500 5.137 3.403 5.781 0.281 1 0 "[ . 1]" 1 1291 1 87 GLU HG3 2 70 GLN HG2 . . 5.500 5.227 4.405 6.013 0.513 5 2 "[ + -]" 1 1292 1 88 SER H 1 88 SER HB2 . . 3.400 2.236 2.103 2.659 . 0 0 "[ . 1]" 1 1293 1 88 SER HA 1 89 THR H . . 5.500 3.126 2.589 3.506 . 0 0 "[ . 1]" 1 1294 1 89 THR HA 1 90 ALA H . . 3.400 2.420 2.297 2.814 . 0 0 "[ . 1]" 1 1295 1 90 ALA HA 1 91 THR H . . 3.400 2.558 2.202 3.512 0.112 4 0 "[ . 1]" 1 1296 1 90 ALA MB 1 91 THR H . . 5.500 2.925 2.181 3.655 . 0 0 "[ . 1]" 1 1297 1 91 THR HA 1 92 SER H . . 5.500 2.674 2.130 3.591 . 0 0 "[ . 1]" 1 1298 1 92 SER HB2 1 94 VAL H . . 5.500 5.048 3.810 6.102 0.602 5 1 "[ + 1]" 1 1299 2 1 ALA HA 2 2 GLN H . . 3.400 2.519 2.135 2.812 . 0 0 "[ . 1]" 1 1300 2 1 ALA MB 2 2 GLN H . . 5.500 3.002 1.962 3.782 . 0 0 "[ . 1]" 1 1301 2 2 GLN HA 2 3 LYS H . . 3.400 2.799 2.376 3.519 0.119 8 0 "[ . 1]" 1 1302 2 2 GLN HB2 2 3 LYS H . . 3.400 3.156 2.148 3.616 0.216 4 0 "[ . 1]" 1 1303 2 2 GLN HB3 2 3 LYS H . . 5.500 2.965 2.025 3.999 . 0 0 "[ . 1]" 1 1304 2 3 LYS H 2 3 LYS HG3 . . 5.500 3.929 2.809 4.818 . 0 0 "[ . 1]" 1 1305 2 3 LYS HA 2 4 SER H . . 3.400 2.426 2.190 2.728 . 0 0 "[ . 1]" 1 1306 2 3 LYS HB2 2 4 SER H . . 5.500 3.780 2.162 4.654 . 0 0 "[ . 1]" 1 1307 2 4 SER H 2 4 SER HB2 . . 3.400 3.029 2.662 3.639 0.239 7 0 "[ . 1]" 1 1308 2 4 SER H 2 7 GLU HB3 . . 5.500 5.381 4.005 6.364 0.864 1 1 "[+ . 1]" 1 1309 2 4 SER HA 2 5 ILE H . . 3.400 2.474 2.103 3.613 0.213 1 0 "[ . 1]" 1 1310 2 4 SER HA 2 6 GLN H . . 5.500 4.091 3.663 4.562 . 0 0 "[ . 1]" 1 1311 2 4 SER HB2 2 5 ILE H . . 3.400 3.393 2.534 3.853 0.453 3 0 "[ . 1]" 1 1312 2 4 SER HB2 2 6 GLN H . . 5.500 3.715 2.998 5.170 . 0 0 "[ . 1]" 1 1313 2 5 ILE H 2 8 ILE MG . . 5.500 5.499 5.013 5.894 0.394 8 0 "[ . 1]" 1 1314 2 5 ILE HA 2 6 GLN H . . 3.400 3.280 2.545 3.509 0.109 7 0 "[ . 1]" 1 1315 2 5 ILE HA 2 7 GLU H . . 5.500 3.559 3.432 3.863 . 0 0 "[ . 1]" 1 1316 2 5 ILE HA 2 8 ILE H . . 5.500 3.959 3.669 4.303 . 0 0 "[ . 1]" 1 1317 2 5 ILE HB 2 6 GLN H . . 5.500 3.716 3.101 4.443 . 0 0 "[ . 1]" 1 1318 2 5 ILE HB 2 9 GLN H . . 5.500 5.285 3.867 6.023 0.523 2 1 "[ + . 1]" 1 1319 2 5 ILE HG12 2 6 GLN H . . 5.500 4.973 3.717 5.604 0.104 1 0 "[ . 1]" 1 1320 2 5 ILE MG 2 6 GLN H . . 5.500 4.140 3.970 4.394 . 0 0 "[ . 1]" 1 1321 2 5 ILE MG 2 9 GLN H . . 5.500 4.126 3.616 5.406 . 0 0 "[ . 1]" 1 1322 2 6 GLN HA 2 7 GLU H . . 3.400 3.484 3.407 3.559 0.159 8 0 "[ . 1]" 1 1323 2 6 GLN HA 2 8 ILE H . . 3.400 3.619 3.406 3.794 0.394 8 0 "[ . 1]" 1 1324 2 6 GLN HA 2 9 GLN H . . 5.500 2.964 2.678 3.544 . 0 0 "[ . 1]" 1 1325 2 6 GLN HA 2 9 GLN HB2 . . 3.400 3.170 2.414 3.848 0.448 10 0 "[ . 1]" 1 1326 2 6 GLN HB2 2 8 ILE H . . 5.500 5.402 5.188 5.602 0.102 1 0 "[ . 1]" 1 1327 2 7 GLU HA 2 8 ILE H . . 3.400 3.427 3.261 3.541 0.141 7 0 "[ . 1]" 1 1328 2 7 GLU HA 2 9 GLN H . . 5.500 4.739 4.357 5.183 . 0 0 "[ . 1]" 1 1329 2 7 GLU HA 2 10 GLU H . . 5.500 4.631 4.151 5.008 . 0 0 "[ . 1]" 1 1330 2 7 GLU HB2 2 8 ILE H . . 5.500 4.249 4.152 4.379 . 0 0 "[ . 1]" 1 1331 2 8 ILE H 2 9 GLN H . . 5.500 2.035 1.999 2.101 . 0 0 "[ . 1]" 1 1332 2 8 ILE HA 2 9 GLN H . . 3.400 3.518 3.402 3.588 0.188 3 0 "[ . 1]" 1 1333 2 8 ILE HA 2 10 GLU H . . 5.500 3.702 3.331 4.030 . 0 0 "[ . 1]" 1 1334 2 8 ILE HA 2 11 LEU H . . 5.500 4.890 4.042 5.538 0.038 9 0 "[ . 1]" 1 1335 2 8 ILE HG12 2 9 GLN H . . 5.500 4.363 3.954 4.782 . 0 0 "[ . 1]" 1 1336 2 8 ILE MG 2 9 GLN H . . 5.500 2.695 2.326 4.051 . 0 0 "[ . 1]" 1 1337 2 8 ILE MG 2 10 GLU H . . 5.500 4.645 4.419 5.289 . 0 0 "[ . 1]" 1 1338 2 9 GLN HA 2 10 GLU H . . 3.400 3.185 2.985 3.406 0.006 4 0 "[ . 1]" 1 1339 2 9 GLN HA 2 11 LEU H . . 5.500 3.449 3.067 3.889 . 0 0 "[ . 1]" 1 1340 2 9 GLN HA 2 12 ASP H . . 5.500 4.334 3.888 5.517 0.017 8 0 "[ . 1]" 1 1341 2 9 GLN HG2 2 10 GLU H . . 5.500 5.134 4.863 5.782 0.282 7 0 "[ . 1]" 1 1342 2 10 GLU H 2 11 LEU MD2 . . 5.500 5.231 4.136 6.137 0.637 7 2 "[ . + -]" 1 1343 2 10 GLU HA 2 11 LEU H . . 3.400 3.402 3.145 3.538 0.138 1 0 "[ . 1]" 1 1344 2 10 GLU HA 2 12 ASP H . . 5.500 3.770 3.514 3.947 . 0 0 "[ . 1]" 1 1345 2 10 GLU HA 2 13 LYS H . . 3.400 3.329 3.195 3.458 0.058 1 0 "[ . 1]" 1 1346 2 10 GLU HB2 2 11 LEU H . . 5.500 4.123 3.499 4.471 . 0 0 "[ . 1]" 1 1347 2 10 GLU HG2 2 11 LEU H . . 5.500 4.081 2.595 5.249 . 0 0 "[ . 1]" 1 1348 2 10 GLU HG2 2 12 ASP H . . 5.500 5.682 5.145 6.018 0.518 5 1 "[ + 1]" 1 1349 2 11 LEU H 2 11 LEU MD1 . . 5.500 3.868 2.783 4.340 . 0 0 "[ . 1]" 1 1350 2 11 LEU H 2 11 LEU MD2 . . 5.500 3.557 2.663 4.268 . 0 0 "[ . 1]" 1 1351 2 11 LEU HA 2 12 ASP H . . 3.400 3.537 3.510 3.564 0.164 9 0 "[ . 1]" 1 1352 2 11 LEU HA 2 13 LYS H . . 5.500 3.963 3.672 4.153 . 0 0 "[ . 1]" 1 1353 2 11 LEU HA 2 14 ASP H . . 3.400 3.434 3.289 3.701 0.301 4 0 "[ . 1]" 1 1354 2 11 LEU HB3 2 12 ASP H . . 3.400 3.153 2.937 3.460 0.060 9 0 "[ . 1]" 1 1355 2 11 LEU MD1 2 12 ASP H . . 5.500 4.572 4.293 4.832 . 0 0 "[ . 1]" 1 1356 2 11 LEU MD2 2 12 ASP H . . 5.500 4.816 4.629 4.928 . 0 0 "[ . 1]" 1 1357 2 11 LEU HG 2 12 ASP H . . 5.500 5.178 4.380 5.557 0.057 3 0 "[ . 1]" 1 1358 2 12 ASP H 2 13 LYS H . . 3.400 2.786 2.624 2.946 . 0 0 "[ . 1]" 1 1359 2 12 ASP HA 2 13 LYS H . . 3.400 3.543 3.485 3.621 0.221 1 0 "[ . 1]" 1 1360 2 12 ASP HA 2 14 ASP H . . 5.500 4.065 3.778 4.512 . 0 0 "[ . 1]" 1 1361 2 12 ASP HA 2 15 ASP H . . 3.400 3.506 3.319 3.602 0.202 7 0 "[ . 1]" 1 1362 2 12 ASP HB2 2 13 LYS H . . 3.400 3.110 2.868 3.326 . 0 0 "[ . 1]" 1 1363 2 13 LYS HA 2 14 ASP H . . 3.400 3.469 3.374 3.543 0.143 5 0 "[ . 1]" 1 1364 2 13 LYS HA 2 15 ASP H . . 5.500 4.301 4.098 4.562 . 0 0 "[ . 1]" 1 1365 2 13 LYS HB2 2 14 ASP H . . 5.500 3.753 3.128 4.316 . 0 0 "[ . 1]" 1 1366 2 13 LYS HD2 2 14 ASP H . . 5.500 4.884 3.741 5.537 0.037 10 0 "[ . 1]" 1 1367 2 13 LYS HG2 2 14 ASP H . . 5.500 4.822 4.054 5.611 0.111 7 0 "[ . 1]" 1 1368 2 14 ASP H 2 15 ASP H . . 3.400 2.504 2.254 2.709 . 0 0 "[ . 1]" 1 1369 2 14 ASP H 2 17 SER HB2 . . 5.500 5.680 5.448 5.895 0.395 9 0 "[ . 1]" 1 1370 2 14 ASP HA 2 15 ASP H . . 3.400 3.243 2.788 3.597 0.197 5 0 "[ . 1]" 1 1371 2 14 ASP HA 2 16 GLU H . . 5.500 4.076 3.138 5.307 . 0 0 "[ . 1]" 1 1372 2 14 ASP HA 2 17 SER H . . 5.500 3.903 3.451 4.215 . 0 0 "[ . 1]" 1 1373 2 15 ASP H 2 16 GLU H . . 2.800 2.667 2.294 3.053 0.253 8 0 "[ . 1]" 1 1374 2 15 ASP H 2 16 GLU HB2 . . 5.500 4.874 4.614 5.301 . 0 0 "[ . 1]" 1 1375 2 15 ASP HA 2 16 GLU H . . 3.400 3.545 3.484 3.645 0.245 8 0 "[ . 1]" 1 1376 2 15 ASP HA 2 17 SER H . . 5.500 3.918 3.641 4.502 . 0 0 "[ . 1]" 1 1377 2 15 ASP HA 2 18 LEU H . . 5.500 3.510 3.163 4.162 . 0 0 "[ . 1]" 1 1378 2 15 ASP HB2 2 17 SER H . . 5.500 5.386 4.697 5.831 0.331 1 0 "[ . 1]" 1 1379 2 15 ASP HB2 2 18 LEU H . . 5.500 5.238 4.809 5.863 0.363 8 0 "[ . 1]" 1 1380 2 15 ASP HB3 2 16 GLU H . . 5.500 3.915 2.949 4.326 . 0 0 "[ . 1]" 1 1381 2 16 GLU H 2 17 SER H . . 2.800 2.799 2.730 2.863 0.063 7 0 "[ . 1]" 1 1382 2 16 GLU HA 2 17 SER H . . 3.400 3.534 3.467 3.595 0.195 1 0 "[ . 1]" 1 1383 2 16 GLU HG2 2 17 SER H . . 5.500 4.821 4.023 5.637 0.137 10 0 "[ . 1]" 1 1384 2 17 SER H 2 18 LEU H . . 2.800 2.747 2.601 2.920 0.120 2 0 "[ . 1]" 1 1385 2 17 SER H 2 18 LEU HA . . 5.500 5.359 5.250 5.474 . 0 0 "[ . 1]" 1 1386 2 17 SER H 2 19 ARG H . . 5.500 4.303 4.093 4.596 . 0 0 "[ . 1]" 1 1387 2 17 SER HA 2 18 LEU H . . 3.400 3.522 3.476 3.566 0.166 9 0 "[ . 1]" 1 1388 2 17 SER HA 2 19 ARG H . . 5.500 3.827 3.555 4.010 . 0 0 "[ . 1]" 1 1389 2 17 SER HA 2 20 LYS H . . 5.500 3.981 3.671 4.178 . 0 0 "[ . 1]" 1 1390 2 17 SER HB2 2 18 LEU H . . 5.500 3.669 3.099 4.336 . 0 0 "[ . 1]" 1 1391 2 17 SER HB2 2 19 ARG H . . 5.500 5.461 5.154 5.605 0.105 8 0 "[ . 1]" 1 1392 2 18 LEU H 2 18 LEU MD1 . . 5.500 4.034 3.705 4.228 . 0 0 "[ . 1]" 1 1393 2 18 LEU H 2 18 LEU MD2 . . 5.500 3.211 2.822 3.390 . 0 0 "[ . 1]" 1 1394 2 18 LEU H 2 19 ARG H . . 2.800 2.610 2.462 2.850 0.050 8 0 "[ . 1]" 1 1395 2 18 LEU HA 2 19 ARG H . . 3.400 3.470 3.443 3.502 0.102 2 0 "[ . 1]" 1 1396 2 18 LEU HA 2 20 LYS H . . 5.500 3.878 3.739 4.041 . 0 0 "[ . 1]" 1 1397 2 18 LEU HA 2 21 TYR H . . 5.500 3.295 3.181 3.392 . 0 0 "[ . 1]" 1 1398 2 18 LEU HA 2 22 LYS H . . 5.500 4.880 4.438 5.049 . 0 0 "[ . 1]" 1 1399 2 18 LEU HB2 2 22 LYS H . . 5.500 5.378 5.001 5.661 0.161 1 0 "[ . 1]" 1 1400 2 19 ARG H 2 19 ARG HD2 . . 5.500 4.569 3.961 5.302 . 0 0 "[ . 1]" 1 1401 2 19 ARG HA 2 20 LYS H . . 3.400 3.511 3.475 3.551 0.151 8 0 "[ . 1]" 1 1402 2 19 ARG HA 2 22 LYS H . . 3.400 3.214 3.113 3.404 0.004 8 0 "[ . 1]" 1 1403 2 19 ARG HB2 2 20 LYS H . . 3.400 3.160 2.871 3.941 0.541 8 1 "[ . + 1]" 1 1404 2 19 ARG HD3 2 20 LYS H . . 5.500 5.424 4.985 5.849 0.349 6 0 "[ . 1]" 1 1405 2 19 ARG HG2 2 20 LYS H . . 5.500 4.616 2.590 5.226 . 0 0 "[ . 1]" 1 1406 2 20 LYS H 2 20 LYS HA . . 2.800 2.875 2.856 2.932 0.132 8 0 "[ . 1]" 1 1407 2 20 LYS H 2 21 TYR H . . 2.800 2.746 2.537 2.803 0.003 9 0 "[ . 1]" 1 1408 2 20 LYS HA 2 21 TYR H . . 3.400 3.560 3.518 3.584 0.184 7 0 "[ . 1]" 1 1409 2 20 LYS HA 2 23 GLU H . . 3.400 3.315 3.128 3.426 0.026 2 0 "[ . 1]" 1 1410 2 20 LYS HB2 2 21 TYR H . . 5.500 3.607 2.672 4.096 . 0 0 "[ . 1]" 1 1411 2 20 LYS HG2 2 21 TYR H . . 5.500 4.392 2.235 5.260 . 0 0 "[ . 1]" 1 1412 2 21 TYR HA 2 22 LYS H . . 3.400 3.579 3.555 3.605 0.205 9 0 "[ . 1]" 1 1413 2 21 TYR HA 2 23 GLU H . . 5.500 4.223 4.133 4.320 . 0 0 "[ . 1]" 1 1414 2 21 TYR HA 2 24 ALA H . . 5.500 3.401 3.280 3.612 . 0 0 "[ . 1]" 1 1415 2 21 TYR HB3 2 22 LYS H . . 3.400 3.237 2.817 3.496 0.096 9 0 "[ . 1]" 1 1416 2 21 TYR HB3 2 24 ALA H . . 5.500 5.401 5.187 5.711 0.211 3 0 "[ . 1]" 1 1417 2 21 TYR QD 2 22 LYS H . . 5.500 4.659 4.315 4.783 . 0 0 "[ . 1]" 1 1418 2 22 LYS HA 2 23 GLU H . . 3.400 3.555 3.540 3.586 0.186 4 0 "[ . 1]" 1 1419 2 22 LYS HA 2 24 ALA H . . 5.500 4.309 4.112 4.544 . 0 0 "[ . 1]" 1 1420 2 22 LYS HA 2 25 LEU H . . 5.500 3.480 3.191 3.607 . 0 0 "[ . 1]" 1 1421 2 22 LYS HB2 2 24 ALA H . . 5.500 5.500 5.368 5.628 0.128 3 0 "[ . 1]" 1 1422 2 22 LYS HB3 2 23 GLU H . . 3.400 3.426 3.054 3.708 0.308 9 0 "[ . 1]" 1 1423 2 23 GLU H 2 24 ALA H . . 2.800 2.779 2.613 2.955 0.155 4 0 "[ . 1]" 1 1424 2 23 GLU HA 2 24 ALA H . . 3.400 3.574 3.555 3.602 0.202 2 0 "[ . 1]" 1 1425 2 23 GLU HA 2 25 LEU H . . 5.500 3.959 3.838 4.056 . 0 0 "[ . 1]" 1 1426 2 23 GLU HA 2 26 LEU H . . 5.500 3.828 3.578 4.398 . 0 0 "[ . 1]" 1 1427 2 23 GLU HA 2 27 GLY H . . 5.500 5.171 3.896 5.591 0.091 1 0 "[ . 1]" 1 1428 2 23 GLU HB2 2 25 LEU H . . 5.500 5.475 5.012 5.648 0.148 2 0 "[ . 1]" 1 1429 2 23 GLU HG2 2 25 LEU H . . 5.500 5.743 5.557 5.971 0.471 6 0 "[ . 1]" 1 1430 2 23 GLU HG3 2 24 ALA H . . 5.500 5.149 4.491 5.462 . 0 0 "[ . 1]" 1 1431 2 24 ALA H 2 25 LEU H . . 2.800 2.816 2.745 2.880 0.080 2 0 "[ . 1]" 1 1432 2 24 ALA HA 2 25 LEU H . . 3.400 3.513 3.431 3.539 0.139 6 0 "[ . 1]" 1 1433 2 24 ALA HA 2 26 LEU H . . 5.500 3.753 3.184 4.080 . 0 0 "[ . 1]" 1 1434 2 24 ALA HA 2 27 GLY H . . 5.500 3.346 2.804 5.492 . 0 0 "[ . 1]" 1 1435 2 24 ALA MB 2 25 LEU H . . 3.400 2.971 2.842 3.228 . 0 0 "[ . 1]" 1 1436 2 25 LEU H 2 25 LEU MD1 . . 5.500 3.709 3.048 4.359 . 0 0 "[ . 1]" 1 1437 2 25 LEU H 2 25 LEU MD2 . . 5.500 3.957 3.203 4.343 . 0 0 "[ . 1]" 1 1438 2 25 LEU H 2 25 LEU HG . . 5.500 4.022 2.150 4.556 . 0 0 "[ . 1]" 1 1439 2 25 LEU HA 2 26 LEU H . . 3.400 3.472 3.248 3.539 0.139 5 0 "[ . 1]" 1 1440 2 25 LEU HA 2 27 GLY H . . 5.500 4.213 3.863 4.881 . 0 0 "[ . 1]" 1 1441 2 25 LEU HA 2 28 ARG H . . 5.500 5.025 3.872 5.759 0.259 9 0 "[ . 1]" 1 1442 2 26 LEU H 2 26 LEU MD1 . . 5.500 3.607 2.391 4.421 . 0 0 "[ . 1]" 1 1443 2 26 LEU H 2 26 LEU MD2 . . 5.500 3.513 2.300 4.496 . 0 0 "[ . 1]" 1 1444 2 26 LEU H 2 27 GLY H . . 2.800 2.360 1.988 2.709 . 0 0 "[ . 1]" 1 1445 2 26 LEU HA 2 27 GLY H . . 3.400 3.183 2.851 3.478 0.078 1 0 "[ . 1]" 1 1446 2 26 LEU HA 2 28 ARG H . . 5.500 3.718 3.197 4.413 . 0 0 "[ . 1]" 1 1447 2 26 LEU HA 2 29 VAL H . . 5.500 5.014 4.056 5.879 0.379 2 0 "[ . 1]" 1 1448 2 26 LEU HB2 2 27 GLY H . . 5.500 3.881 3.151 4.509 . 0 0 "[ . 1]" 1 1449 2 26 LEU HB2 2 28 ARG H . . 5.500 5.203 3.805 5.662 0.162 8 0 "[ . 1]" 1 1450 2 26 LEU HB3 2 27 GLY H . . 5.500 4.395 3.918 4.644 . 0 0 "[ . 1]" 1 1451 2 26 LEU HG 2 27 GLY H . . 5.500 4.642 3.588 5.186 . 0 0 "[ . 1]" 1 1452 2 27 GLY H 2 28 ARG H . . 2.800 2.577 2.030 2.775 . 0 0 "[ . 1]" 1 1453 2 27 GLY HA2 2 28 ARG H . . 3.400 3.333 3.050 3.511 0.111 4 0 "[ . 1]" 1 1454 2 27 GLY HA2 2 29 VAL H . . 5.500 4.330 3.443 5.441 . 0 0 "[ . 1]" 1 1455 2 28 ARG H 2 28 ARG HD3 . . 5.500 4.744 3.569 5.282 . 0 0 "[ . 1]" 1 1456 2 28 ARG H 2 29 VAL H . . 3.400 2.908 2.473 3.361 . 0 0 "[ . 1]" 1 1457 2 28 ARG H 2 29 VAL MG2 . . 5.500 3.938 2.959 4.835 . 0 0 "[ . 1]" 1 1458 2 28 ARG HA 2 29 VAL H . . 3.400 2.940 2.263 3.551 0.151 7 0 "[ . 1]" 1 1459 2 28 ARG HA 2 30 ALA H . . 5.500 3.616 3.128 4.737 . 0 0 "[ . 1]" 1 1460 2 28 ARG HA 2 31 VAL H . . 5.500 5.436 4.792 5.791 0.291 10 0 "[ . 1]" 1 1461 2 28 ARG HB2 2 29 VAL H . . 5.000 3.936 2.301 4.670 . 0 0 "[ . 1]" 1 1462 2 28 ARG HG3 2 29 VAL H . . 5.500 4.592 4.208 4.865 . 0 0 "[ . 1]" 1 1463 2 29 VAL H 2 30 ALA H . . 2.800 2.721 2.257 3.126 0.326 1 0 "[ . 1]" 1 1464 2 29 VAL HA 2 31 VAL H . . 5.500 4.407 3.419 5.774 0.274 2 0 "[ . 1]" 1 1465 2 29 VAL HB 2 30 ALA H . . 5.500 4.057 2.958 4.477 . 0 0 "[ . 1]" 1 1466 2 29 VAL MG1 2 30 ALA H . . 5.500 4.245 3.860 4.431 . 0 0 "[ . 1]" 1 1467 2 29 VAL MG2 2 30 ALA H . . 5.500 3.461 2.540 4.417 . 0 0 "[ . 1]" 1 1468 2 30 ALA H 2 31 VAL H . . 5.500 3.032 2.280 4.064 . 0 0 "[ . 1]" 1 1469 2 30 ALA HA 2 32 SER H . . 5.500 4.714 3.444 5.569 0.069 7 0 "[ . 1]" 1 1470 2 30 ALA MB 2 32 SER H . . 5.500 4.489 2.619 5.273 . 0 0 "[ . 1]" 1 1471 2 31 VAL HA 2 32 SER H . . 3.400 2.536 2.085 3.515 0.115 5 0 "[ . 1]" 1 1472 2 31 VAL HA 2 33 ALA H . . 5.500 4.151 3.283 5.232 . 0 0 "[ . 1]" 1 1473 2 31 VAL HB 2 32 SER H . . 5.500 4.287 2.924 4.545 . 0 0 "[ . 1]" 1 1474 2 31 VAL MG1 2 32 SER H . . 5.500 3.771 3.105 4.408 . 0 0 "[ . 1]" 1 1475 2 31 VAL MG1 2 33 ALA H . . 5.500 3.585 2.330 5.296 . 0 0 "[ . 1]" 1 1476 2 31 VAL MG1 2 34 ASP H . . 5.500 5.199 4.509 5.941 0.441 1 0 "[ . 1]" 1 1477 2 31 VAL MG2 2 32 SER H . . 5.500 4.181 3.619 4.440 . 0 0 "[ . 1]" 1 1478 2 31 VAL MG2 2 33 ALA H . . 5.500 5.059 3.530 5.600 0.100 4 0 "[ . 1]" 1 1479 2 32 SER H 2 33 ALA H . . 3.400 3.070 2.133 3.575 0.175 2 0 "[ . 1]" 1 1480 2 32 SER H 2 33 ALA HA . . 5.500 4.923 4.409 5.532 0.032 1 0 "[ . 1]" 1 1481 2 32 SER HA 2 33 ALA H . . 3.400 2.691 2.318 3.070 . 0 0 "[ . 1]" 1 1482 2 32 SER HA 2 34 ASP H . . 5.500 3.485 3.000 4.237 . 0 0 "[ . 1]" 1 1483 2 32 SER HB2 2 33 ALA H . . 5.500 4.359 3.992 4.524 . 0 0 "[ . 1]" 1 1484 2 32 SER HB2 2 34 ASP H . . 5.500 5.255 4.171 5.949 0.449 5 0 "[ . 1]" 1 1485 2 33 ALA H 2 34 ASP H . . 2.800 2.496 1.934 2.833 0.033 8 0 "[ . 1]" 1 1486 2 33 ALA HA 2 34 ASP H . . 3.400 3.298 3.092 3.533 0.133 5 0 "[ . 1]" 1 1487 2 33 ALA MB 2 34 ASP H . . 3.400 3.305 2.810 3.615 0.215 8 0 "[ . 1]" 1 1488 2 34 ASP H 2 34 ASP HB3 . . 3.400 2.941 2.574 3.427 0.027 2 0 "[ . 1]" 1 1489 2 34 ASP H 2 35 PRO HD2 . . 5.500 4.895 4.853 4.956 . 0 0 "[ . 1]" 1 1490 2 34 ASP H 2 37 VAL MG2 . . 5.500 3.661 3.136 4.335 . 0 0 "[ . 1]" 1 1491 2 34 ASP HA 2 34 ASP QB . . 2.800 2.330 2.176 2.557 . 0 0 "[ . 1]" 1 1492 2 34 ASP HA 2 35 PRO QD . . 2.800 2.221 2.177 2.274 . 0 0 "[ . 1]" 1 1493 2 34 ASP QB 2 35 PRO QD . . 5.000 2.240 2.086 2.426 . 0 0 "[ . 1]" 1 1494 2 34 ASP HB2 2 37 VAL H . . 5.500 4.582 4.291 4.763 . 0 0 "[ . 1]" 1 1495 2 35 PRO HA 2 36 ASN H . . 3.400 3.401 3.361 3.431 0.031 4 0 "[ . 1]" 1 1496 2 35 PRO HA 2 37 VAL H . . 5.500 3.646 3.485 3.747 . 0 0 "[ . 1]" 1 1497 2 35 PRO QB 2 36 ASN QD . . 6.000 5.393 4.908 6.036 0.036 10 0 "[ . 1]" 1 1498 2 35 PRO HB2 2 36 ASN H . . 5.500 4.018 3.923 4.081 . 0 0 "[ . 1]" 1 1499 2 35 PRO HB3 2 36 ASN H . . 5.500 4.525 4.448 4.572 . 0 0 "[ . 1]" 1 1500 2 35 PRO HD2 2 36 ASN H . . 3.400 3.025 2.854 3.160 . 0 0 "[ . 1]" 1 1501 2 35 PRO HG2 2 36 ASN H . . 5.500 3.144 2.974 3.256 . 0 0 "[ . 1]" 1 1502 2 36 ASN H 2 36 ASN QD . . 5.500 3.879 3.655 4.082 . 0 0 "[ . 1]" 1 1503 2 36 ASN H 2 36 ASN HD22 . . 5.500 5.365 5.224 5.563 0.063 1 0 "[ . 1]" 1 1504 2 36 ASN H 2 37 VAL H . . 2.800 2.653 2.605 2.707 . 0 0 "[ . 1]" 1 1505 2 36 ASN H 2 37 VAL MG2 . . 5.500 4.024 3.861 4.285 . 0 0 "[ . 1]" 1 1506 2 36 ASN HA 2 37 VAL H . . 3.400 3.472 3.409 3.518 0.118 8 0 "[ . 1]" 1 1507 2 36 ASN HB3 2 37 VAL H . . 3.400 3.385 3.269 3.532 0.132 3 0 "[ . 1]" 1 1508 2 37 VAL H 2 37 VAL MG2 . . 3.400 2.250 2.105 2.336 . 0 0 "[ . 1]" 1 1509 2 37 VAL H 2 38 PRO HD2 . . 5.500 4.913 4.883 4.956 . 0 0 "[ . 1]" 1 1510 2 37 VAL H 2 38 PRO HD3 . . 5.500 5.136 5.026 5.212 . 0 0 "[ . 1]" 1 1511 2 37 VAL HA 2 38 PRO QD . . 2.800 2.135 2.057 2.191 . 0 0 "[ . 1]" 1 1512 2 37 VAL MG2 2 90 ARG HE . . 5.500 4.275 2.301 5.449 . 0 0 "[ . 1]" 1 1513 2 38 PRO HA 2 39 ASN H . . 3.400 2.474 2.337 2.658 . 0 0 "[ . 1]" 1 1514 2 38 PRO HA 2 40 VAL H . . 5.500 4.519 4.299 4.882 . 0 0 "[ . 1]" 1 1515 2 38 PRO QB 2 41 VAL MG2 . . 3.800 2.440 2.158 2.767 . 0 0 "[ . 1]" 1 1516 2 38 PRO HB2 2 39 ASN H . . 3.400 2.565 2.342 2.859 . 0 0 "[ . 1]" 1 1517 2 38 PRO HB2 2 40 VAL H . . 5.500 2.902 2.721 3.466 . 0 0 "[ . 1]" 1 1518 2 38 PRO HB3 2 39 ASN H . . 5.500 3.493 3.425 3.639 . 0 0 "[ . 1]" 1 1519 2 38 PRO HB3 2 40 VAL H . . 5.500 4.531 4.367 5.022 . 0 0 "[ . 1]" 1 1520 2 38 PRO HG2 2 39 ASN H . . 5.500 4.336 4.151 4.575 . 0 0 "[ . 1]" 1 1521 2 39 ASN H 2 40 VAL H . . 2.800 2.393 2.214 2.700 . 0 0 "[ . 1]" 1 1522 2 39 ASN HA 2 40 VAL H . . 5.500 3.512 3.491 3.565 . 0 0 "[ . 1]" 1 1523 2 39 ASN HA 2 89 ASN QB . . 5.000 3.652 2.181 5.200 0.200 9 0 "[ . 1]" 1 1524 2 39 ASN HA 2 90 ARG H . . 5.500 3.643 2.804 4.623 . 0 0 "[ . 1]" 1 1525 2 39 ASN HA 2 90 ARG QB . . 5.000 3.666 1.968 5.356 0.356 7 0 "[ . 1]" 1 1526 2 39 ASN HA 2 90 ARG QG . . 5.000 3.158 2.359 3.587 . 0 0 "[ . 1]" 1 1527 2 39 ASN HA 2 91 GLU H . . 5.500 4.467 4.123 4.738 . 0 0 "[ . 1]" 1 1528 2 39 ASN HB3 2 40 VAL H . . 5.500 3.650 2.246 4.048 . 0 0 "[ . 1]" 1 1529 2 39 ASN QD 2 40 VAL MG1 . . 5.500 4.165 3.915 4.668 . 0 0 "[ . 1]" 1 1530 2 39 ASN QD 2 40 VAL MG2 . . 3.200 2.561 2.404 2.953 . 0 0 "[ . 1]" 1 1531 2 39 ASN QD 2 88 VAL MG1 . . 5.500 3.575 3.103 4.233 . 0 0 "[ . 1]" 1 1532 2 39 ASN QD 2 88 VAL MG2 . . 5.500 5.000 4.730 5.603 0.103 1 0 "[ . 1]" 1 1533 2 39 ASN QD 2 91 GLU H . . 5.500 3.832 3.523 4.225 . 0 0 "[ . 1]" 1 1534 2 39 ASN QD 2 91 GLU HB2 . . 5.500 4.146 3.343 5.778 0.278 3 0 "[ . 1]" 1 1535 2 39 ASN QD 2 93 VAL MG1 . . 5.500 2.025 1.881 2.176 . 0 0 "[ . 1]" 1 1536 2 39 ASN HD21 2 40 VAL MG2 . . 3.800 2.890 2.628 3.353 . 0 0 "[ . 1]" 1 1537 2 39 ASN HD21 2 88 VAL MG1 . . 5.500 3.960 3.530 4.478 . 0 0 "[ . 1]" 1 1538 2 39 ASN HD21 2 91 GLU QG . . 6.000 4.178 3.047 5.982 . 0 0 "[ . 1]" 1 1539 2 39 ASN HD21 2 93 VAL MG2 . . 3.200 3.281 3.051 3.573 0.373 7 0 "[ . 1]" 1 1540 2 39 ASN HD22 2 40 VAL MG1 . . 5.500 4.464 4.118 5.248 . 0 0 "[ . 1]" 1 1541 2 39 ASN HD22 2 40 VAL MG2 . . 5.500 2.912 2.672 3.483 . 0 0 "[ . 1]" 1 1542 2 39 ASN HD22 2 88 VAL MG1 . . 5.500 4.476 3.173 5.259 . 0 0 "[ . 1]" 1 1543 2 39 ASN HD22 2 91 GLU H . . 5.500 5.293 3.645 6.018 0.518 1 1 "[+ . 1]" 1 1544 2 39 ASN HD22 2 91 GLU QG . . 6.000 4.976 3.274 6.516 0.516 9 1 "[ . +1]" 1 1545 2 39 ASN HD22 2 93 VAL MG1 . . 5.500 2.139 1.918 2.381 . 0 0 "[ . 1]" 1 1546 2 39 ASN HD22 2 93 VAL MG2 . . 3.200 3.034 2.003 3.649 0.449 7 0 "[ . 1]" 1 1547 2 40 VAL H 2 40 VAL MG1 . . 3.400 3.750 3.691 3.826 0.426 9 0 "[ . 1]" 1 1548 2 40 VAL H 2 41 VAL H . . 5.500 4.212 4.124 4.391 . 0 0 "[ . 1]" 1 1549 2 40 VAL HA 2 40 VAL MG1 . . 3.200 2.726 2.618 2.806 . 0 0 "[ . 1]" 1 1550 2 40 VAL HA 2 40 VAL MG2 . . 3.200 2.214 2.172 2.229 . 0 0 "[ . 1]" 1 1551 2 40 VAL HA 2 41 VAL H . . 2.800 2.125 2.064 2.156 . 0 0 "[ . 1]" 1 1552 2 40 VAL HA 2 41 VAL HA . . 5.000 4.455 4.412 4.504 . 0 0 "[ . 1]" 1 1553 2 40 VAL HA 2 41 VAL MG2 . . 5.500 3.855 3.692 3.995 . 0 0 "[ . 1]" 1 1554 2 40 VAL HA 2 88 VAL HA . . 3.300 2.763 2.499 2.988 . 0 0 "[ . 1]" 1 1555 2 40 VAL HA 2 88 VAL MG1 . . 6.500 3.916 3.581 4.157 . 0 0 "[ . 1]" 1 1556 2 40 VAL HA 2 88 VAL MG2 . . 5.500 3.924 3.475 4.088 . 0 0 "[ . 1]" 1 1557 2 40 VAL HA 2 96 MET ME . . 6.500 5.367 5.049 5.665 . 0 0 "[ . 1]" 1 1558 2 40 VAL HB 2 159 HIS HA . . 5.000 4.775 4.333 5.124 0.124 4 0 "[ . 1]" 1 1559 2 40 VAL MG1 2 41 VAL H . . 5.500 2.839 2.667 2.970 . 0 0 "[ . 1]" 1 1560 2 40 VAL MG1 2 41 VAL HA . . 5.500 3.342 3.220 3.419 . 0 0 "[ . 1]" 1 1561 2 40 VAL MG1 2 86 PHE QD . . 3.800 2.964 2.378 3.265 . 0 0 "[ . 1]" 1 1562 2 40 VAL MG1 2 88 VAL HA . . 5.500 4.227 3.925 4.725 . 0 0 "[ . 1]" 1 1563 2 40 VAL MG1 2 88 VAL MG2 . . 6.000 3.592 2.929 4.130 . 0 0 "[ . 1]" 1 1564 2 40 VAL MG1 2 93 VAL MG2 . . 3.700 3.538 3.240 3.804 0.104 5 0 "[ . 1]" 1 1565 2 40 VAL MG1 2 96 MET ME . . 4.300 2.256 2.098 2.469 . 0 0 "[ . 1]" 1 1566 2 40 VAL MG1 2 151 PHE QE . . 5.500 4.612 4.419 4.863 . 0 0 "[ . 1]" 1 1567 2 40 VAL MG1 2 159 HIS HA . . 5.500 4.724 4.597 4.825 . 0 0 "[ . 1]" 1 1568 2 40 VAL MG1 2 159 HIS QB . . 5.500 2.444 2.322 2.641 . 0 0 "[ . 1]" 1 1569 2 40 VAL MG1 2 159 HIS HD2 . . 6.500 3.705 3.405 4.338 . 0 0 "[ . 1]" 1 1570 2 40 VAL MG2 2 41 VAL H . . 3.400 3.616 3.550 3.673 0.273 9 0 "[ . 1]" 1 1571 2 40 VAL MG2 2 87 ARG H . . 5.500 5.179 4.933 5.402 . 0 0 "[ . 1]" 1 1572 2 40 VAL MG2 2 88 VAL HA . . 3.800 2.431 2.120 3.012 . 0 0 "[ . 1]" 1 1573 2 40 VAL MG2 2 93 VAL HB . . 5.500 4.228 3.661 4.433 . 0 0 "[ . 1]" 1 1574 2 40 VAL MG2 2 93 VAL MG1 . . 6.000 3.199 2.320 3.625 . 0 0 "[ . 1]" 1 1575 2 40 VAL MG2 2 93 VAL MG2 . . 3.700 2.149 2.047 2.215 . 0 0 "[ . 1]" 1 1576 2 40 VAL MG2 2 96 MET ME . . 4.300 3.017 2.663 3.371 . 0 0 "[ . 1]" 1 1577 2 41 VAL H 2 41 VAL MG2 . . 3.400 3.162 3.039 3.289 . 0 0 "[ . 1]" 1 1578 2 41 VAL H 2 87 ARG H . . 5.500 3.320 3.098 3.539 . 0 0 "[ . 1]" 1 1579 2 41 VAL H 2 87 ARG HB3 . . 5.500 4.233 3.631 4.669 . 0 0 "[ . 1]" 1 1580 2 41 VAL HA 2 41 VAL MG1 . . 3.200 2.456 2.302 2.599 . 0 0 "[ . 1]" 1 1581 2 41 VAL HA 2 42 VAL H . . 2.800 2.110 2.081 2.159 . 0 0 "[ . 1]" 1 1582 2 41 VAL HA 2 42 VAL MG2 . . 3.800 3.488 3.399 3.579 . 0 0 "[ . 1]" 1 1583 2 41 VAL MG1 2 42 VAL H . . 5.500 2.701 2.389 2.831 . 0 0 "[ . 1]" 1 1584 2 41 VAL MG1 2 60 LEU HA . . 5.500 5.522 5.437 5.595 0.095 1 0 "[ . 1]" 1 1585 2 41 VAL MG1 2 61 THR H . . 5.500 5.079 3.359 5.381 . 0 0 "[ . 1]" 1 1586 2 41 VAL MG1 2 61 THR HA . . 5.500 3.456 2.598 3.680 . 0 0 "[ . 1]" 1 1587 2 41 VAL MG1 2 87 ARG H . . 5.500 4.654 4.469 5.119 . 0 0 "[ . 1]" 1 1588 2 41 VAL MG1 2 160 LEU QB . . 3.800 3.345 2.471 3.748 . 0 0 "[ . 1]" 1 1589 2 41 VAL MG2 2 42 VAL H . . 5.500 3.948 3.760 4.052 . 0 0 "[ . 1]" 1 1590 2 41 VAL MG2 2 159 HIS QB . . 3.800 4.201 3.963 4.292 0.492 3 0 "[ . 1]" 1 1591 2 42 VAL H 2 42 VAL HB . . 3.400 3.592 3.562 3.625 0.225 5 0 "[ . 1]" 1 1592 2 42 VAL H 2 42 VAL MG1 . . 3.400 2.597 2.444 2.684 . 0 0 "[ . 1]" 1 1593 2 42 VAL H 2 160 LEU MD2 . . 5.500 2.910 2.477 3.351 . 0 0 "[ . 1]" 1 1594 2 42 VAL HA 2 42 VAL MG2 . . 3.200 3.243 3.232 3.258 0.058 9 0 "[ . 1]" 1 1595 2 42 VAL HA 2 43 THR MG . . 3.800 3.850 3.766 4.079 0.279 4 0 "[ . 1]" 1 1596 2 42 VAL HA 2 84 ILE MG . . 5.500 4.013 3.609 4.207 . 0 0 "[ . 1]" 1 1597 2 42 VAL HA 2 86 PHE HA . . 3.300 2.128 2.039 2.211 . 0 0 "[ . 1]" 1 1598 2 42 VAL HA 2 86 PHE HB2 . . 5.000 3.079 2.877 3.238 . 0 0 "[ . 1]" 1 1599 2 42 VAL HA 2 86 PHE HB3 . . 3.300 2.225 2.106 2.356 . 0 0 "[ . 1]" 1 1600 2 42 VAL HA 2 86 PHE QD . . 6.000 4.107 3.967 4.348 . 0 0 "[ . 1]" 1 1601 2 42 VAL HA 2 87 ARG H . . 5.500 3.686 3.544 3.839 . 0 0 "[ . 1]" 1 1602 2 42 VAL HB 2 60 LEU MD1 . . 5.500 2.232 2.079 2.346 . 0 0 "[ . 1]" 1 1603 2 42 VAL MG1 2 86 PHE HA . . 6.500 3.584 3.455 3.664 . 0 0 "[ . 1]" 1 1604 2 42 VAL MG1 2 86 PHE QB . . 3.800 2.138 2.075 2.212 . 0 0 "[ . 1]" 1 1605 2 42 VAL MG1 2 86 PHE QD . . 5.500 2.965 2.635 3.443 . 0 0 "[ . 1]" 1 1606 2 42 VAL MG1 2 87 ARG H . . 5.500 5.025 4.945 5.096 . 0 0 "[ . 1]" 1 1607 2 42 VAL MG1 2 151 PHE QB . . 3.800 3.714 3.522 3.932 0.132 3 0 "[ . 1]" 1 1608 2 42 VAL MG1 2 151 PHE QE . . 3.800 2.234 2.088 2.417 . 0 0 "[ . 1]" 1 1609 2 42 VAL MG1 2 160 LEU H . . 5.500 5.627 5.285 5.918 0.418 8 0 "[ . 1]" 1 1610 2 42 VAL MG1 2 160 LEU QB . . 3.800 3.906 3.683 4.050 0.250 10 0 "[ . 1]" 1 1611 2 42 VAL MG1 2 160 LEU MD1 . . 6.000 5.669 5.383 5.945 . 0 0 "[ . 1]" 1 1612 2 42 VAL MG1 2 160 LEU MD2 . . 6.000 3.931 3.615 4.321 . 0 0 "[ . 1]" 1 1613 2 42 VAL MG1 2 162 TRP HZ2 . . 6.500 4.611 4.210 4.941 . 0 0 "[ . 1]" 1 1614 2 42 VAL MG2 2 60 LEU MD1 . . 3.700 2.087 2.052 2.127 . 0 0 "[ . 1]" 1 1615 2 42 VAL MG2 2 84 ILE MG . . 4.300 3.898 3.477 4.339 0.039 9 0 "[ . 1]" 1 1616 2 42 VAL MG2 2 86 PHE QB . . 3.800 4.103 4.047 4.166 0.366 2 0 "[ . 1]" 1 1617 2 42 VAL MG2 2 162 TRP HH2 . . 5.500 3.507 3.289 3.888 . 0 0 "[ . 1]" 1 1618 2 42 VAL MG2 2 162 TRP HZ3 . . 5.500 2.642 2.496 2.775 . 0 0 "[ . 1]" 1 1619 2 43 THR HA 2 43 THR MG . . 3.200 2.369 2.267 2.438 . 0 0 "[ . 1]" 1 1620 2 43 THR HA 2 61 THR MG . . 3.200 2.375 2.223 2.568 . 0 0 "[ . 1]" 1 1621 2 43 THR HB 2 61 THR MG . . 3.800 3.886 3.719 4.068 0.268 1 0 "[ . 1]" 1 1622 2 43 THR MG 2 61 THR MG . . 4.300 3.342 2.927 3.616 . 0 0 "[ . 1]" 1 1623 2 43 THR MG 2 86 PHE HA . . 3.800 2.728 2.564 3.246 . 0 0 "[ . 1]" 1 1624 2 43 THR MG 2 87 ARG HA . . 5.500 3.913 3.742 4.010 . 0 0 "[ . 1]" 1 1625 2 43 THR MG 2 87 ARG QD . . 3.800 3.419 2.900 4.142 0.342 4 0 "[ . 1]" 1 1626 2 45 LEU HA 2 45 LEU MD1 . . 3.800 3.727 3.630 3.828 0.028 9 0 "[ . 1]" 1 1627 2 45 LEU HA 2 46 THR H . . 2.800 2.158 2.115 2.271 . 0 0 "[ . 1]" 1 1628 2 45 LEU HA 2 84 ILE HA . . 5.000 2.568 2.325 2.745 . 0 0 "[ . 1]" 1 1629 2 45 LEU HA 2 84 ILE MD . . 3.800 3.296 2.933 4.150 0.350 6 0 "[ . 1]" 1 1630 2 45 LEU HA 2 84 ILE QG . . 5.000 4.642 3.409 5.115 0.115 5 0 "[ . 1]" 1 1631 2 45 LEU HA 2 84 ILE MG . . 5.500 3.830 3.109 4.614 . 0 0 "[ . 1]" 1 1632 2 45 LEU QB 2 84 ILE HA . . 5.000 3.737 3.448 3.980 . 0 0 "[ . 1]" 1 1633 2 45 LEU QB 2 162 TRP HZ2 . . 5.000 2.478 2.220 2.674 . 0 0 "[ . 1]" 1 1634 2 45 LEU HB2 2 46 THR H . . 5.500 4.225 3.877 4.364 . 0 0 "[ . 1]" 1 1635 2 45 LEU MD1 2 46 THR H . . 5.500 4.539 4.118 4.782 . 0 0 "[ . 1]" 1 1636 2 45 LEU MD1 2 58 LEU QB . . 5.000 4.232 4.067 4.412 . 0 0 "[ . 1]" 1 1637 2 45 LEU MD1 2 58 LEU MD1 . . 4.300 4.080 3.958 4.264 . 0 0 "[ . 1]" 1 1638 2 45 LEU MD1 2 98 TYR QE . . 3.800 3.710 3.512 3.925 0.125 4 0 "[ . 1]" 1 1639 2 45 LEU MD1 2 162 TRP HH2 . . 3.800 3.424 3.191 3.796 . 0 0 "[ . 1]" 1 1640 2 45 LEU MD1 2 164 TRP HE1 . . 5.500 3.076 2.797 3.283 . 0 0 "[ . 1]" 1 1641 2 45 LEU MD1 2 164 TRP HH2 . . 5.500 3.679 3.388 4.043 . 0 0 "[ . 1]" 1 1642 2 45 LEU MD2 2 46 THR H . . 5.500 2.908 2.630 3.215 . 0 0 "[ . 1]" 1 1643 2 45 LEU MD2 2 46 THR HA . . 5.500 3.276 2.926 3.444 . 0 0 "[ . 1]" 1 1644 2 45 LEU MD2 2 57 GLU HA . . 5.500 3.812 3.254 4.118 . 0 0 "[ . 1]" 1 1645 2 45 LEU MD2 2 60 LEU MD1 . . 5.500 4.589 4.190 4.751 . 0 0 "[ . 1]" 1 1646 2 45 LEU MD2 2 72 PHE QD . . 5.500 3.798 3.371 4.598 . 0 0 "[ . 1]" 1 1647 2 45 LEU MD2 2 72 PHE QE . . 3.800 2.652 1.892 3.349 . 0 0 "[ . 1]" 1 1648 2 45 LEU MD2 2 72 PHE HZ . . 5.500 4.162 3.008 5.287 . 0 0 "[ . 1]" 1 1649 2 45 LEU MD2 2 82 ILE MD . . 6.000 3.791 3.433 3.970 . 0 0 "[ . 1]" 1 1650 2 45 LEU MD2 2 82 ILE MG . . 6.000 2.339 1.999 3.258 . 0 0 "[ . 1]" 1 1651 2 45 LEU MD2 2 84 ILE MD . . 4.300 3.508 3.214 3.854 . 0 0 "[ . 1]" 1 1652 2 45 LEU MD2 2 162 TRP HE1 . . 5.500 4.904 4.026 5.407 . 0 0 "[ . 1]" 1 1653 2 45 LEU MD2 2 162 TRP HZ2 . . 5.500 4.383 3.960 4.540 . 0 0 "[ . 1]" 1 1654 2 45 LEU HG 2 46 THR H . . 5.500 3.033 2.462 3.484 . 0 0 "[ . 1]" 1 1655 2 46 THR H 2 82 ILE MG . . 5.500 4.411 3.931 4.830 . 0 0 "[ . 1]" 1 1656 2 46 THR HA 2 46 THR MG . . 3.200 2.525 2.388 3.035 . 0 0 "[ . 1]" 1 1657 2 46 THR HA 2 57 GLU HA . . 2.800 2.103 1.946 2.240 . 0 0 "[ . 1]" 1 1658 2 46 THR HA 2 57 GLU HG2 . . 5.000 5.163 4.991 5.360 0.360 10 0 "[ . 1]" 1 1659 2 46 THR HA 2 57 GLU HG3 . . 5.000 5.289 5.127 5.516 0.516 10 1 "[ . +]" 1 1660 2 46 THR HA 2 58 LEU QB . . 5.000 5.193 4.977 5.329 0.329 4 0 "[ . 1]" 1 1661 2 46 THR MG 2 48 VAL H . . 5.500 4.561 4.151 5.715 0.215 1 0 "[ . 1]" 1 1662 2 46 THR MG 2 57 GLU HA . . 3.800 3.650 3.478 4.064 0.264 10 0 "[ . 1]" 1 1663 2 46 THR MG 2 83 LYS QE . . 3.800 3.509 2.659 3.938 0.138 5 0 "[ . 1]" 1 1664 2 47 LEU HA 2 47 LEU MD2 . . 3.200 2.588 2.070 3.275 0.075 6 0 "[ . 1]" 1 1665 2 47 LEU HA 2 48 VAL MG2 . . 5.500 4.002 3.902 4.139 . 0 0 "[ . 1]" 1 1666 2 47 LEU HA 2 82 ILE HA . . 3.300 2.681 2.415 3.163 . 0 0 "[ . 1]" 1 1667 2 47 LEU HA 2 82 ILE MD . . 5.500 5.178 3.470 5.713 0.213 6 0 "[ . 1]" 1 1668 2 47 LEU HB2 2 48 VAL H . . 5.500 4.296 4.151 4.569 . 0 0 "[ . 1]" 1 1669 2 47 LEU HB2 2 56 LEU MD1 . . 3.800 3.051 2.278 3.496 . 0 0 "[ . 1]" 1 1670 2 47 LEU HB3 2 48 VAL H . . 5.500 3.411 3.184 3.925 . 0 0 "[ . 1]" 1 1671 2 47 LEU HB3 2 56 LEU MD1 . . 3.800 3.277 2.608 3.959 0.159 9 0 "[ . 1]" 1 1672 2 47 LEU MD1 2 72 PHE QB . . 3.800 2.836 2.220 3.324 . 0 0 "[ . 1]" 1 1673 2 47 LEU MD1 2 72 PHE QD . . 5.500 2.381 2.146 2.720 . 0 0 "[ . 1]" 1 1674 2 47 LEU MD1 2 82 ILE HA . . 6.500 4.629 4.112 5.203 . 0 0 "[ . 1]" 1 1675 2 47 LEU MD1 2 82 ILE QG . . 5.500 4.192 3.544 5.595 0.095 4 0 "[ . 1]" 1 1676 2 47 LEU MD1 2 164 TRP HE3 . . 5.500 4.513 4.282 4.886 . 0 0 "[ . 1]" 1 1677 2 47 LEU MD1 2 164 TRP HZ3 . . 6.500 3.154 2.829 3.466 . 0 0 "[ . 1]" 1 1678 2 47 LEU MD2 2 72 PHE QB . . 5.500 4.224 3.506 5.094 . 0 0 "[ . 1]" 1 1679 2 47 LEU MD2 2 80 TYR QB . . 5.500 3.551 2.486 4.284 . 0 0 "[ . 1]" 1 1680 2 47 LEU MD2 2 80 TYR QD . . 3.800 2.443 2.122 2.874 . 0 0 "[ . 1]" 1 1681 2 47 LEU MD2 2 80 TYR QE . . 3.800 3.092 2.436 3.986 0.186 4 0 "[ . 1]" 1 1682 2 47 LEU MD2 2 82 ILE HA . . 3.800 2.673 2.063 3.759 . 0 0 "[ . 1]" 1 1683 2 47 LEU MD2 2 82 ILE QG . . 3.800 2.457 2.052 3.784 . 0 0 "[ . 1]" 1 1684 2 47 LEU MD2 2 83 LYS H . . 5.500 3.955 3.066 5.180 . 0 0 "[ . 1]" 1 1685 2 47 LEU MD2 2 164 TRP HH2 . . 3.200 2.904 2.709 3.077 . 0 0 "[ . 1]" 1 1686 2 47 LEU MD2 2 164 TRP HZ2 . . 5.500 4.452 3.838 4.876 . 0 0 "[ . 1]" 1 1687 2 47 LEU HG 2 82 ILE HA . . 5.000 3.761 2.495 4.670 . 0 0 "[ . 1]" 1 1688 2 48 VAL H 2 48 VAL MG1 . . 3.400 3.803 3.778 3.829 0.429 3 0 "[ . 1]" 1 1689 2 48 VAL H 2 49 CYS H . . 5.500 4.410 4.297 4.518 . 0 0 "[ . 1]" 1 1690 2 48 VAL H 2 81 ARG H . . 5.500 3.651 3.422 4.017 . 0 0 "[ . 1]" 1 1691 2 48 VAL H 2 82 ILE MG . . 5.500 5.304 5.108 5.406 . 0 0 "[ . 1]" 1 1692 2 48 VAL HA 2 48 VAL MG1 . . 3.200 2.530 2.450 2.591 . 0 0 "[ . 1]" 1 1693 2 48 VAL HA 2 48 VAL MG2 . . 3.200 2.285 2.240 2.335 . 0 0 "[ . 1]" 1 1694 2 48 VAL HA 2 49 CYS H . . 2.800 2.124 2.098 2.156 . 0 0 "[ . 1]" 1 1695 2 48 VAL HA 2 49 CYS QB . . 5.000 4.385 4.064 4.611 . 0 0 "[ . 1]" 1 1696 2 48 VAL HA 2 52 ALA MB . . 5.500 5.306 5.150 5.465 . 0 0 "[ . 1]" 1 1697 2 48 VAL HB 2 81 ARG H . . 5.500 4.547 4.230 4.930 . 0 0 "[ . 1]" 1 1698 2 48 VAL MG1 2 49 CYS H . . 5.000 2.718 2.576 2.908 . 0 0 "[ . 1]" 1 1699 2 48 VAL MG1 2 49 CYS HA . . 3.800 3.472 3.290 3.773 . 0 0 "[ . 1]" 1 1700 2 48 VAL MG1 2 51 SER H . . 5.500 5.732 5.557 5.882 0.382 1 0 "[ . 1]" 1 1701 2 48 VAL MG1 2 81 ARG H . . 5.500 4.617 4.318 4.841 . 0 0 "[ . 1]" 1 1702 2 48 VAL MG2 2 81 ARG QD . . 5.500 4.702 3.236 5.700 0.200 5 0 "[ . 1]" 1 1703 2 48 VAL MG2 2 83 LYS QE . . 3.800 2.162 1.930 3.338 . 0 0 "[ . 1]" 1 1704 2 49 CYS HA 2 49 CYS QB . . 2.800 2.263 2.151 2.375 . 0 0 "[ . 1]" 1 1705 2 49 CYS HA 2 52 ALA MB . . 5.500 4.341 4.139 4.578 . 0 0 "[ . 1]" 1 1706 2 49 CYS HA 2 80 TYR HA . . 3.300 3.211 2.794 3.349 0.049 4 0 "[ . 1]" 1 1707 2 49 CYS QB 2 52 ALA MB . . 3.200 2.249 1.928 2.782 . 0 0 "[ . 1]" 1 1708 2 49 CYS QB 2 80 TYR HA . . 5.000 3.068 2.173 4.087 . 0 0 "[ . 1]" 1 1709 2 49 CYS HB3 2 52 ALA H . . 5.500 3.946 2.830 4.949 . 0 0 "[ . 1]" 1 1710 2 50 SER HA 2 50 SER HB2 . . 2.800 2.799 2.500 2.984 0.184 2 0 "[ . 1]" 1 1711 2 50 SER HA 2 50 SER HB3 . . 2.800 2.588 2.285 2.766 . 0 0 "[ . 1]" 1 1712 2 50 SER HA 2 51 SER H . . 5.500 3.500 3.467 3.520 . 0 0 "[ . 1]" 1 1713 2 50 SER HA 2 52 ALA H . . 5.500 3.657 3.395 4.033 . 0 0 "[ . 1]" 1 1714 2 50 SER HB2 2 51 SER H . . 5.500 3.550 3.282 3.960 . 0 0 "[ . 1]" 1 1715 2 51 SER H 2 52 ALA H . . 2.800 2.746 2.486 2.894 0.094 5 0 "[ . 1]" 1 1716 2 51 SER H 2 52 ALA MB . . 5.500 4.182 4.091 4.279 . 0 0 "[ . 1]" 1 1717 2 51 SER HA 2 52 ALA H . . 3.400 3.394 3.289 3.517 0.117 1 0 "[ . 1]" 1 1718 2 51 SER HB2 2 52 ALA H . . 5.500 3.762 3.331 4.251 . 0 0 "[ . 1]" 1 1719 2 51 SER HB2 2 172 TRP HE1 . . 5.500 4.117 3.043 4.943 . 0 0 "[ . 1]" 1 1720 2 51 SER HB3 2 52 ALA H . . 5.500 4.182 3.162 4.585 . 0 0 "[ . 1]" 1 1721 2 51 SER HB3 2 172 TRP HE1 . . 5.500 3.735 2.852 4.872 . 0 0 "[ . 1]" 1 1722 2 52 ALA H 2 52 ALA MB . . 3.400 2.286 2.189 2.403 . 0 0 "[ . 1]" 1 1723 2 52 ALA HA 2 172 TRP HE1 . . 6.000 3.716 3.145 4.512 . 0 0 "[ . 1]" 1 1724 2 52 ALA HA 2 173 LYS QB . . 3.300 3.316 3.040 3.573 0.273 6 0 "[ . 1]" 1 1725 2 52 ALA MB 2 53 PRO HA . . 5.500 4.438 4.392 4.503 . 0 0 "[ . 1]" 1 1726 2 52 ALA MB 2 53 PRO QG . . 5.500 3.586 3.399 3.683 . 0 0 "[ . 1]" 1 1727 2 52 ALA MB 2 54 GLY H . . 3.400 2.690 2.556 2.923 . 0 0 "[ . 1]" 1 1728 2 52 ALA MB 2 172 TRP HH2 . . 3.800 2.793 2.650 2.912 . 0 0 "[ . 1]" 1 1729 2 52 ALA MB 2 172 TRP HZ3 . . 5.000 3.039 2.742 3.367 . 0 0 "[ . 1]" 1 1730 2 53 PRO HA 2 54 GLY H . . 5.500 3.533 3.492 3.555 . 0 0 "[ . 1]" 1 1731 2 53 PRO HB3 2 54 GLY H . . 5.500 4.292 4.207 4.399 . 0 0 "[ . 1]" 1 1732 2 53 PRO QD 2 172 TRP HH2 . . 5.000 5.529 5.282 5.729 0.729 1 7 "[+** ** -*1]" 1 1733 2 53 PRO QD 2 172 TRP HZ2 . . 5.000 5.254 4.945 5.449 0.449 5 0 "[ . 1]" 1 1734 2 53 PRO HG2 2 54 GLY H . . 5.500 2.525 2.273 2.779 . 0 0 "[ . 1]" 1 1735 2 54 GLY QA 2 55 PRO QD . . 2.800 2.088 2.059 2.101 . 0 0 "[ . 1]" 1 1736 2 56 LEU HA 2 72 PHE QE . . 5.000 3.552 2.999 4.031 . 0 0 "[ . 1]" 1 1737 2 56 LEU MD1 2 72 PHE QB . . 5.500 4.687 3.319 5.152 . 0 0 "[ . 1]" 1 1738 2 56 LEU MD2 2 72 PHE HA . . 3.800 3.722 3.070 4.061 0.261 8 0 "[ . 1]" 1 1739 2 56 LEU MD2 2 72 PHE QB . . 5.500 2.882 2.259 3.425 . 0 0 "[ . 1]" 1 1740 2 58 LEU HA 2 58 LEU MD2 . . 3.200 2.091 1.999 2.197 . 0 0 "[ . 1]" 1 1741 2 58 LEU QB 2 59 ASP HA . . 5.000 4.659 4.524 4.867 . 0 0 "[ . 1]" 1 1742 2 58 LEU MD1 2 60 LEU MD1 . . 6.000 4.942 4.596 5.178 . 0 0 "[ . 1]" 1 1743 2 58 LEU MD1 2 67 PHE QB . . 5.500 3.979 3.086 4.812 . 0 0 "[ . 1]" 1 1744 2 58 LEU MD1 2 67 PHE QD . . 3.800 3.159 2.377 3.807 0.007 6 0 "[ . 1]" 1 1745 2 58 LEU MD1 2 72 PHE QD . . 5.500 2.939 2.650 3.510 . 0 0 "[ . 1]" 1 1746 2 58 LEU MD1 2 72 PHE QE . . 5.500 2.370 2.285 2.456 . 0 0 "[ . 1]" 1 1747 2 58 LEU MD1 2 72 PHE HZ . . 5.500 3.505 2.912 3.881 . 0 0 "[ . 1]" 1 1748 2 58 LEU MD1 2 162 TRP HD1 . . 5.500 4.931 4.587 5.227 . 0 0 "[ . 1]" 1 1749 2 58 LEU MD1 2 164 TRP HA . . 5.500 4.712 4.329 5.126 . 0 0 "[ . 1]" 1 1750 2 58 LEU MD1 2 164 TRP QB . . 5.500 2.819 2.553 3.133 . 0 0 "[ . 1]" 1 1751 2 58 LEU MD2 2 60 LEU MD2 . . 5.500 4.502 3.958 4.975 . 0 0 "[ . 1]" 1 1752 2 58 LEU MD2 2 67 PHE HA . . 5.500 4.287 3.417 5.091 . 0 0 "[ . 1]" 1 1753 2 58 LEU MD2 2 67 PHE QE . . 3.800 2.543 2.142 3.002 . 0 0 "[ . 1]" 1 1754 2 58 LEU MD2 2 67 PHE HZ . . 5.500 3.986 2.414 4.649 . 0 0 "[ . 1]" 1 1755 2 58 LEU MD2 2 70 GLN QE . . 6.000 4.123 2.192 6.234 0.234 7 0 "[ . 1]" 1 1756 2 58 LEU MD2 2 72 PHE HZ . . 3.800 4.008 3.782 4.186 0.386 2 0 "[ . 1]" 1 1757 2 58 LEU MD2 2 162 TRP HE1 . . 5.500 5.770 5.491 6.216 0.716 1 1 "[+ . 1]" 1 1758 2 58 LEU HG 2 72 PHE QE . . 5.000 2.748 2.384 3.041 . 0 0 "[ . 1]" 1 1759 2 58 LEU HG 2 72 PHE HZ . . 5.000 2.511 2.305 2.673 . 0 0 "[ . 1]" 1 1760 2 59 ASP HA 2 59 ASP HB2 . . 2.800 2.640 2.339 2.850 0.050 3 0 "[ . 1]" 1 1761 2 59 ASP HA 2 60 LEU HG . . 5.000 3.883 3.816 3.967 . 0 0 "[ . 1]" 1 1762 2 60 LEU HA 2 60 LEU MD1 . . 3.800 3.867 3.856 3.894 0.094 1 0 "[ . 1]" 1 1763 2 60 LEU HA 2 60 LEU MD2 . . 3.200 2.075 2.043 2.143 . 0 0 "[ . 1]" 1 1764 2 60 LEU HA 2 64 LEU MD1 . . 6.500 5.134 3.127 5.554 . 0 0 "[ . 1]" 1 1765 2 60 LEU HA 2 64 LEU MD2 . . 3.200 3.145 3.084 3.201 0.001 2 0 "[ . 1]" 1 1766 2 60 LEU HA 2 67 PHE QE . . 5.000 3.482 2.441 4.410 . 0 0 "[ . 1]" 1 1767 2 60 LEU HA 2 160 LEU MD2 . . 5.500 4.662 4.415 4.824 . 0 0 "[ . 1]" 1 1768 2 60 LEU MD1 2 160 LEU MD2 . . 5.500 3.683 3.352 4.048 . 0 0 "[ . 1]" 1 1769 2 60 LEU MD1 2 162 TRP HE1 . . 4.000 3.263 3.030 3.587 . 0 0 "[ . 1]" 1 1770 2 60 LEU MD1 2 162 TRP HZ2 . . 6.500 2.694 2.606 2.811 . 0 0 "[ . 1]" 1 1771 2 60 LEU MD2 2 64 LEU MD1 . . 6.000 3.903 2.050 4.764 . 0 0 "[ . 1]" 1 1772 2 60 LEU MD2 2 64 LEU MD2 . . 3.700 2.634 2.325 3.290 . 0 0 "[ . 1]" 1 1773 2 60 LEU MD2 2 67 PHE QE . . 5.500 3.049 2.430 3.658 . 0 0 "[ . 1]" 1 1774 2 60 LEU MD2 2 67 PHE HZ . . 3.800 4.040 3.727 4.377 0.577 3 1 "[ + . 1]" 1 1775 2 60 LEU MD2 2 160 LEU MD2 . . 3.700 3.605 3.232 3.750 0.050 8 0 "[ . 1]" 1 1776 2 60 LEU MD2 2 162 TRP HD1 . . 3.800 2.893 2.733 3.072 . 0 0 "[ . 1]" 1 1777 2 61 THR H 2 62 GLY H . . 5.500 2.608 2.410 2.856 . 0 0 "[ . 1]" 1 1778 2 61 THR HA 2 61 THR MG . . 3.200 2.361 2.285 2.604 . 0 0 "[ . 1]" 1 1779 2 61 THR HA 2 62 GLY H . . 5.500 2.981 2.826 3.191 . 0 0 "[ . 1]" 1 1780 2 61 THR HB 2 62 GLY H . . 5.500 4.486 4.445 4.566 . 0 0 "[ . 1]" 1 1781 2 61 THR MG 2 62 GLY H . . 5.500 4.384 4.200 4.454 . 0 0 "[ . 1]" 1 1782 2 62 GLY H 2 63 ASP H . . 5.500 4.168 3.970 4.312 . 0 0 "[ . 1]" 1 1783 2 62 GLY H 2 64 LEU MD2 . . 5.500 3.351 2.682 3.846 . 0 0 "[ . 1]" 1 1784 2 62 GLY HA2 2 63 ASP H . . 3.400 2.922 2.811 3.087 . 0 0 "[ . 1]" 1 1785 2 62 GLY HA3 2 63 ASP H . . 3.400 2.274 2.169 2.400 . 0 0 "[ . 1]" 1 1786 2 63 ASP H 2 64 LEU H . . 5.500 4.180 3.822 4.380 . 0 0 "[ . 1]" 1 1787 2 63 ASP HA 2 64 LEU H . . 2.800 2.275 2.186 2.452 . 0 0 "[ . 1]" 1 1788 2 63 ASP HA 2 65 GLU H . . 5.500 3.399 3.300 3.626 . 0 0 "[ . 1]" 1 1789 2 63 ASP HA 2 66 SER H . . 5.500 4.586 4.270 5.026 . 0 0 "[ . 1]" 1 1790 2 63 ASP QB 2 66 SER QB . . 5.000 3.238 2.224 4.132 . 0 0 "[ . 1]" 1 1791 2 63 ASP HB2 2 64 LEU H . . 5.500 4.572 4.337 4.708 . 0 0 "[ . 1]" 1 1792 2 64 LEU H 2 64 LEU HB2 . . 3.400 2.549 2.285 2.720 . 0 0 "[ . 1]" 1 1793 2 64 LEU H 2 64 LEU MD1 . . 5.500 3.700 3.593 3.778 . 0 0 "[ . 1]" 1 1794 2 64 LEU H 2 64 LEU HG . . 5.500 2.402 2.040 4.063 . 0 0 "[ . 1]" 1 1795 2 64 LEU H 2 65 GLU H . . 2.800 2.882 2.723 3.019 0.219 1 0 "[ . 1]" 1 1796 2 64 LEU HA 2 64 LEU MD1 . . 3.800 3.666 2.082 3.878 0.078 4 0 "[ . 1]" 1 1797 2 64 LEU HA 2 64 LEU MD2 . . 3.200 2.245 2.123 2.692 . 0 0 "[ . 1]" 1 1798 2 64 LEU HB2 2 65 GLU H . . 5.500 3.170 2.815 3.353 . 0 0 "[ . 1]" 1 1799 2 64 LEU MD1 2 65 GLU H . . 5.500 4.977 4.742 5.097 . 0 0 "[ . 1]" 1 1800 2 64 LEU MD1 2 160 LEU MD2 . . 4.300 2.813 2.205 3.536 . 0 0 "[ . 1]" 1 1801 2 64 LEU MD1 2 162 TRP HA . . 3.800 3.041 2.450 3.812 0.012 5 0 "[ . 1]" 1 1802 2 64 LEU MD2 2 67 PHE QE . . 5.500 3.154 2.086 4.499 . 0 0 "[ . 1]" 1 1803 2 64 LEU MD2 2 162 TRP HA . . 5.500 4.126 3.683 5.538 0.038 5 0 "[ . 1]" 1 1804 2 64 LEU MD2 2 162 TRP HD1 . . 6.500 3.969 3.234 5.502 . 0 0 "[ . 1]" 1 1805 2 64 LEU HG 2 65 GLU H . . 5.500 4.726 4.499 5.596 0.096 5 0 "[ . 1]" 1 1806 2 65 GLU H 2 65 GLU HA . . 2.800 2.852 2.820 2.888 0.088 1 0 "[ . 1]" 1 1807 2 65 GLU H 2 66 SER H . . 2.800 2.819 2.678 2.960 0.160 8 0 "[ . 1]" 1 1808 2 65 GLU HA 2 66 SER H . . 5.500 3.563 3.494 3.626 . 0 0 "[ . 1]" 1 1809 2 65 GLU HA 2 67 PHE H . . 5.500 4.473 4.321 4.591 . 0 0 "[ . 1]" 1 1810 2 65 GLU HA 2 68 LYS H . . 5.500 3.658 3.509 3.831 . 0 0 "[ . 1]" 1 1811 2 65 GLU HA 2 68 LYS QB . . 5.000 3.614 3.370 3.850 . 0 0 "[ . 1]" 1 1812 2 65 GLU HA 2 68 LYS QD . . 5.000 3.354 2.008 4.212 . 0 0 "[ . 1]" 1 1813 2 65 GLU HA 2 68 LYS QE . . 3.300 3.027 2.056 3.908 0.608 2 1 "[ + . 1]" 1 1814 2 65 GLU HA 2 68 LYS QG . . 3.300 2.589 2.046 3.699 0.399 1 0 "[ . 1]" 1 1815 2 65 GLU HB3 2 66 SER H . . 3.400 3.639 3.430 3.849 0.449 10 0 "[ . 1]" 1 1816 2 66 SER H 2 66 SER HA . . 2.800 2.910 2.851 2.942 0.142 9 0 "[ . 1]" 1 1817 2 66 SER H 2 66 SER HB2 . . 3.400 2.462 2.098 3.415 0.015 8 0 "[ . 1]" 1 1818 2 66 SER H 2 67 PHE H . . 3.400 2.565 2.450 2.738 . 0 0 "[ . 1]" 1 1819 2 66 SER HA 2 67 PHE H . . 5.500 3.575 3.546 3.610 . 0 0 "[ . 1]" 1 1820 2 66 SER HA 2 68 LYS H . . 5.500 4.218 3.995 4.609 . 0 0 "[ . 1]" 1 1821 2 66 SER HA 2 69 LYS H . . 5.500 3.903 3.657 4.073 . 0 0 "[ . 1]" 1 1822 2 66 SER HA 2 69 LYS HB2 . . 5.000 3.552 3.145 3.795 . 0 0 "[ . 1]" 1 1823 2 66 SER HA 2 69 LYS HB3 . . 5.000 5.133 4.738 5.456 0.456 4 0 "[ . 1]" 1 1824 2 66 SER HA 2 69 LYS QD . . 5.000 4.510 3.701 5.412 0.412 2 0 "[ . 1]" 1 1825 2 66 SER HA 2 69 LYS QG . . 5.000 4.014 2.849 5.110 0.110 4 0 "[ . 1]" 1 1826 2 66 SER QB 2 70 GLN QE . . 5.000 2.852 2.087 4.652 . 0 0 "[ . 1]" 1 1827 2 66 SER HB3 2 67 PHE H . . 5.500 3.380 2.676 4.341 . 0 0 "[ . 1]" 1 1828 2 67 PHE H 2 68 LYS H . . 3.400 2.814 2.666 2.932 . 0 0 "[ . 1]" 1 1829 2 67 PHE HA 2 67 PHE HB3 . . 2.800 2.487 2.402 2.580 . 0 0 "[ . 1]" 1 1830 2 67 PHE HA 2 67 PHE QD . . 3.300 2.638 2.195 3.162 . 0 0 "[ . 1]" 1 1831 2 67 PHE HA 2 68 LYS H . . 5.500 3.534 3.489 3.595 . 0 0 "[ . 1]" 1 1832 2 67 PHE HA 2 70 GLN QB . . 5.000 2.396 2.073 2.806 . 0 0 "[ . 1]" 1 1833 2 67 PHE HA 2 70 GLN QG . . 5.000 3.949 2.984 4.661 . 0 0 "[ . 1]" 1 1834 2 67 PHE HB2 2 68 LYS HA . . 5.000 4.639 4.409 4.993 . 0 0 "[ . 1]" 1 1835 2 67 PHE HB3 2 68 LYS H . . 5.500 3.844 3.560 4.086 . 0 0 "[ . 1]" 1 1836 2 67 PHE HB3 2 164 TRP HA . . 5.000 3.468 2.521 4.430 . 0 0 "[ . 1]" 1 1837 2 68 LYS H 2 68 LYS HD3 . . 3.400 3.036 2.128 3.778 0.378 10 0 "[ . 1]" 1 1838 2 68 LYS H 2 68 LYS HE2 . . 5.500 4.716 3.943 5.505 0.005 8 0 "[ . 1]" 1 1839 2 68 LYS H 2 69 LYS H . . 5.500 2.825 2.742 2.903 . 0 0 "[ . 1]" 1 1840 2 68 LYS HA 2 68 LYS HB2 . . 2.800 2.893 2.293 3.049 0.249 1 0 "[ . 1]" 1 1841 2 68 LYS HA 2 68 LYS HB3 . . 2.800 2.463 2.363 2.607 . 0 0 "[ . 1]" 1 1842 2 68 LYS HA 2 69 LYS H . . 5.500 3.401 3.305 3.486 . 0 0 "[ . 1]" 1 1843 2 68 LYS HA 2 70 GLN H . . 5.500 5.072 4.823 5.353 . 0 0 "[ . 1]" 1 1844 2 68 LYS HA 2 164 TRP HA . . 5.000 3.296 2.240 3.985 . 0 0 "[ . 1]" 1 1845 2 69 LYS H 2 70 GLN H . . 3.400 2.166 2.045 2.336 . 0 0 "[ . 1]" 1 1846 2 69 LYS HA 2 70 GLN H . . 5.500 3.572 3.526 3.618 . 0 0 "[ . 1]" 1 1847 2 69 LYS HB2 2 70 GLN H . . 5.500 2.527 2.303 2.910 . 0 0 "[ . 1]" 1 1848 2 69 LYS HG2 2 70 GLN H . . 5.500 4.639 4.019 5.105 . 0 0 "[ . 1]" 1 1849 2 71 SER HA 2 71 SER HB2 . . 2.800 2.396 2.301 2.448 . 0 0 "[ . 1]" 1 1850 2 71 SER HA 2 71 SER HB3 . . 2.800 2.551 2.487 2.612 . 0 0 "[ . 1]" 1 1851 2 71 SER HA 2 165 ASN QB . . 3.300 2.894 2.249 3.324 0.024 10 0 "[ . 1]" 1 1852 2 71 SER HB2 2 165 ASN HB2 . . 3.300 3.226 2.861 3.505 0.205 7 0 "[ . 1]" 1 1853 2 71 SER HB2 2 165 ASN HB3 . . 3.300 3.250 2.836 3.512 0.212 2 0 "[ . 1]" 1 1854 2 71 SER HB2 2 166 LEU HA . . 5.000 2.654 2.303 3.085 . 0 0 "[ . 1]" 1 1855 2 71 SER HB2 2 167 THR HB . . 5.000 4.121 3.865 4.540 . 0 0 "[ . 1]" 1 1856 2 71 SER HB3 2 165 ASN HB2 . . 3.300 2.275 2.168 2.350 . 0 0 "[ . 1]" 1 1857 2 71 SER HB3 2 165 ASN HB3 . . 3.300 2.853 2.689 3.132 . 0 0 "[ . 1]" 1 1858 2 71 SER HB3 2 166 LEU HA . . 5.000 4.315 3.966 4.658 . 0 0 "[ . 1]" 1 1859 2 71 SER HB3 2 167 THR HB . . 5.000 5.120 4.802 5.835 0.835 1 2 "[+ . -1]" 1 1860 2 72 PHE HA 2 72 PHE QD . . 3.300 2.154 2.072 2.262 . 0 0 "[ . 1]" 1 1861 2 72 PHE HA 2 73 VAL MG2 . . 5.500 3.620 3.469 4.042 . 0 0 "[ . 1]" 1 1862 2 72 PHE QB 2 74 LEU MD1 . . 5.500 4.718 4.341 5.447 . 0 0 "[ . 1]" 1 1863 2 72 PHE QB 2 166 LEU HA . . 5.000 3.071 2.527 3.655 . 0 0 "[ . 1]" 1 1864 2 72 PHE HB2 2 166 LEU MD1 . . 3.800 2.353 2.177 2.684 . 0 0 "[ . 1]" 1 1865 2 72 PHE HB2 2 166 LEU MD2 . . 5.500 4.564 4.248 4.820 . 0 0 "[ . 1]" 1 1866 2 72 PHE HB3 2 166 LEU MD1 . . 3.800 2.699 2.261 3.233 . 0 0 "[ . 1]" 1 1867 2 72 PHE HB3 2 166 LEU MD2 . . 6.500 5.062 4.536 5.647 . 0 0 "[ . 1]" 1 1868 2 72 PHE QD 2 166 LEU MD2 . . 5.500 5.179 4.659 5.564 0.064 10 0 "[ . 1]" 1 1869 2 73 VAL HA 2 73 VAL MG1 . . 3.200 2.457 2.324 2.707 . 0 0 "[ . 1]" 1 1870 2 73 VAL HA 2 73 VAL MG2 . . 3.200 2.320 2.200 2.379 . 0 0 "[ . 1]" 1 1871 2 73 VAL HA 2 74 LEU H . . 2.800 2.060 2.024 2.094 . 0 0 "[ . 1]" 1 1872 2 73 VAL HA 2 167 THR HB . . 2.800 3.034 2.776 3.411 0.611 5 2 "[ + - 1]" 1 1873 2 73 VAL HB 2 74 LEU H . . 5.500 4.220 4.030 4.331 . 0 0 "[ . 1]" 1 1874 2 73 VAL MG1 2 169 LYS QE . . 3.800 2.953 2.079 4.012 0.212 6 0 "[ . 1]" 1 1875 2 73 VAL MG1 2 172 TRP HA . . 3.800 3.797 3.597 3.972 0.172 3 0 "[ . 1]" 1 1876 2 73 VAL MG2 2 74 LEU H . . 5.500 3.822 3.503 4.033 . 0 0 "[ . 1]" 1 1877 2 74 LEU H 2 74 LEU MD2 . . 5.500 3.737 3.081 4.296 . 0 0 "[ . 1]" 1 1878 2 74 LEU H 2 166 LEU MD1 . . 5.500 3.890 3.405 4.186 . 0 0 "[ . 1]" 1 1879 2 74 LEU H 2 167 THR H . . 5.500 4.624 4.217 4.913 . 0 0 "[ . 1]" 1 1880 2 74 LEU H 2 167 THR MG . . 5.500 4.371 4.025 4.658 . 0 0 "[ . 1]" 1 1881 2 74 LEU H 2 168 ILE HA . . 5.500 2.914 2.662 3.143 . 0 0 "[ . 1]" 1 1882 2 74 LEU H 2 168 ILE MD . . 5.500 3.659 3.423 3.849 . 0 0 "[ . 1]" 1 1883 2 74 LEU HA 2 74 LEU MD2 . . 3.200 2.193 2.028 2.356 . 0 0 "[ . 1]" 1 1884 2 74 LEU HA 2 172 TRP HH2 . . 5.000 4.167 3.844 4.639 . 0 0 "[ . 1]" 1 1885 2 74 LEU HA 2 172 TRP HZ3 . . 5.000 2.963 2.540 3.659 . 0 0 "[ . 1]" 1 1886 2 74 LEU QB 2 168 ILE HA . . 3.300 2.720 2.225 3.047 . 0 0 "[ . 1]" 1 1887 2 74 LEU MD1 2 78 VAL HB . . 6.500 4.845 4.119 5.486 . 0 0 "[ . 1]" 1 1888 2 74 LEU MD1 2 78 VAL QG . . 4.300 2.473 1.906 2.990 . 0 0 "[ . 1]" 1 1889 2 74 LEU MD1 2 80 TYR HB2 . . 5.500 3.256 2.828 3.921 . 0 0 "[ . 1]" 1 1890 2 74 LEU MD1 2 80 TYR HB3 . . 5.500 2.709 2.109 3.383 . 0 0 "[ . 1]" 1 1891 2 74 LEU MD1 2 80 TYR QD . . 3.800 2.562 2.315 2.753 . 0 0 "[ . 1]" 1 1892 2 74 LEU MD1 2 80 TYR QE . . 5.500 3.138 2.733 3.490 . 0 0 "[ . 1]" 1 1893 2 74 LEU MD1 2 135 ALA MB . . 3.200 2.717 2.408 3.026 . 0 0 "[ . 1]" 1 1894 2 74 LEU MD1 2 166 LEU MD1 . . 3.200 2.896 2.156 3.629 0.429 9 0 "[ . 1]" 1 1895 2 74 LEU MD1 2 166 LEU MD2 . . 3.700 2.990 2.111 3.977 0.277 9 0 "[ . 1]" 1 1896 2 74 LEU MD1 2 168 ILE MD . . 4.300 2.937 2.185 3.602 . 0 0 "[ . 1]" 1 1897 2 74 LEU MD1 2 172 TRP HH2 . . 5.500 3.634 2.356 4.879 . 0 0 "[ . 1]" 1 1898 2 74 LEU MD1 2 172 TRP HZ3 . . 6.500 3.840 2.618 5.007 . 0 0 "[ . 1]" 1 1899 2 74 LEU MD2 2 172 TRP HH2 . . 3.800 3.071 2.445 3.718 . 0 0 "[ . 1]" 1 1900 2 74 LEU MD2 2 172 TRP HZ3 . . 3.800 2.236 2.080 2.396 . 0 0 "[ . 1]" 1 1901 2 75 LYS HA 2 75 LYS QE . . 5.000 4.782 4.309 5.172 0.172 1 0 "[ . 1]" 1 1902 2 75 LYS HA 2 76 GLU H . . 2.800 2.185 2.106 2.219 . 0 0 "[ . 1]" 1 1903 2 75 LYS HA 2 171 ASP HA . . 5.000 4.342 3.499 5.427 0.427 4 0 "[ . 1]" 1 1904 2 75 LYS QB 2 78 VAL QG . . 3.800 2.142 2.064 2.260 . 0 0 "[ . 1]" 1 1905 2 75 LYS QB 2 172 TRP HE1 . . 5.000 3.068 2.762 3.313 . 0 0 "[ . 1]" 1 1906 2 75 LYS HB2 2 78 VAL QG . . 3.800 3.418 3.300 3.568 . 0 0 "[ . 1]" 1 1907 2 75 LYS HB3 2 78 VAL QG . . 3.800 2.164 2.086 2.285 . 0 0 "[ . 1]" 1 1908 2 75 LYS QD 2 78 VAL QG . . 3.800 2.369 2.192 2.596 . 0 0 "[ . 1]" 1 1909 2 75 LYS QD 2 172 TRP HE1 . . 2.900 2.503 2.264 2.687 . 0 0 "[ . 1]" 1 1910 2 75 LYS HD2 2 76 GLU H . . 5.500 5.243 4.989 5.515 0.015 10 0 "[ . 1]" 1 1911 2 75 LYS QE 2 78 VAL QG . . 5.500 3.334 2.462 4.181 . 0 0 "[ . 1]" 1 1912 2 75 LYS QG 2 172 TRP HE1 . . 5.000 4.477 4.164 4.713 . 0 0 "[ . 1]" 1 1913 2 75 LYS HG2 2 76 GLU H . . 5.500 3.182 3.080 3.259 . 0 0 "[ . 1]" 1 1914 2 76 GLU H 2 76 GLU HG2 . . 5.500 3.369 2.329 4.133 . 0 0 "[ . 1]" 1 1915 2 76 GLU H 2 168 ILE MG . . 5.500 3.049 2.679 3.309 . 0 0 "[ . 1]" 1 1916 2 76 GLU H 2 170 LYS H . . 5.500 4.915 4.809 5.058 . 0 0 "[ . 1]" 1 1917 2 76 GLU H 2 170 LYS HA . . 5.500 3.164 2.945 3.292 . 0 0 "[ . 1]" 1 1918 2 76 GLU H 2 170 LYS HB2 . . 5.500 5.432 5.144 5.549 0.049 7 0 "[ . 1]" 1 1919 2 76 GLU HA 2 78 VAL H . . 5.500 3.824 3.679 3.995 . 0 0 "[ . 1]" 1 1920 2 76 GLU HA 2 135 ALA MB . . 5.500 3.551 3.333 4.024 . 0 0 "[ . 1]" 1 1921 2 76 GLU HA 2 137 LYS HA . . 3.300 3.294 3.086 3.470 0.170 4 0 "[ . 1]" 1 1922 2 76 GLU HA 2 168 ILE MD . . 5.500 4.344 3.653 4.823 . 0 0 "[ . 1]" 1 1923 2 76 GLU HA 2 168 ILE MG . . 3.200 2.257 2.052 2.428 . 0 0 "[ . 1]" 1 1924 2 76 GLU QB 2 137 LYS HA . . 5.000 2.639 2.149 4.037 . 0 0 "[ . 1]" 1 1925 2 76 GLU QG 2 137 LYS HA . . 3.300 2.716 2.227 3.710 0.410 4 0 "[ . 1]" 1 1926 2 76 GLU QG 2 170 LYS HA . . 3.300 2.537 2.181 3.121 . 0 0 "[ . 1]" 1 1927 2 77 GLY QA 2 135 ALA MB . . 3.200 3.171 2.953 3.350 0.150 8 0 "[ . 1]" 1 1928 2 77 GLY HA2 2 78 VAL H . . 5.500 3.131 2.878 3.261 . 0 0 "[ . 1]" 1 1929 2 77 GLY HA2 2 134 GLU QG . . 6.000 5.028 4.788 5.202 . 0 0 "[ . 1]" 1 1930 2 77 GLY HA2 2 137 LYS QE . . 5.000 4.159 3.214 4.829 . 0 0 "[ . 1]" 1 1931 2 77 GLY HA3 2 134 GLU QG . . 6.000 6.437 6.147 6.685 0.685 4 3 "[ +. *-1]" 1 1932 2 77 GLY HA3 2 137 LYS QE . . 5.000 3.860 2.227 4.839 . 0 0 "[ . 1]" 1 1933 2 78 VAL H 2 79 GLU H . . 5.500 4.630 4.543 4.662 . 0 0 "[ . 1]" 1 1934 2 78 VAL H 2 135 ALA MB . . 3.400 2.162 1.913 2.423 . 0 0 "[ . 1]" 1 1935 2 78 VAL HA 2 78 VAL HB . . 2.800 2.598 2.568 2.620 . 0 0 "[ . 1]" 1 1936 2 78 VAL HA 2 78 VAL QG . . 3.200 2.145 2.116 2.182 . 0 0 "[ . 1]" 1 1937 2 78 VAL HA 2 79 GLU H . . 2.800 2.322 2.218 2.391 . 0 0 "[ . 1]" 1 1938 2 78 VAL HB 2 79 GLU H . . 5.500 4.048 3.963 4.206 . 0 0 "[ . 1]" 1 1939 2 78 VAL QG 2 79 GLU H . . 5.500 2.101 1.991 2.334 . 0 0 "[ . 1]" 1 1940 2 78 VAL QG 2 79 GLU QG . . 6.500 4.243 3.136 4.678 . 0 0 "[ . 1]" 1 1941 2 78 VAL QG 2 168 ILE MD . . 6.000 3.998 3.895 4.085 . 0 0 "[ . 1]" 1 1942 2 78 VAL QG 2 172 TRP HE1 . . 4.000 2.616 2.297 2.889 . 0 0 "[ . 1]" 1 1943 2 78 VAL QG 2 172 TRP HH2 . . 3.800 3.082 2.910 3.296 . 0 0 "[ . 1]" 1 1944 2 78 VAL QG 2 172 TRP HZ2 . . 3.200 2.157 2.100 2.253 . 0 0 "[ . 1]" 1 1945 2 79 GLU H 2 79 GLU HG2 . . 5.500 4.094 2.112 4.481 . 0 0 "[ . 1]" 1 1946 2 79 GLU HA 2 79 GLU QG . . 3.300 2.420 2.201 3.361 0.061 2 0 "[ . 1]" 1 1947 2 79 GLU HA 2 80 TYR H . . 5.500 2.167 2.132 2.234 . 0 0 "[ . 1]" 1 1948 2 79 GLU HA 2 80 TYR QD . . 5.000 3.195 2.996 3.582 . 0 0 "[ . 1]" 1 1949 2 79 GLU HA 2 134 GLU HA . . 2.800 2.579 2.216 2.842 0.042 3 0 "[ . 1]" 1 1950 2 79 GLU HA 2 134 GLU HB2 . . 5.000 4.786 4.579 5.027 0.027 3 0 "[ . 1]" 1 1951 2 79 GLU HA 2 134 GLU HB3 . . 5.000 4.686 4.554 4.905 . 0 0 "[ . 1]" 1 1952 2 80 TYR H 2 132 VAL MG1 . . 5.500 3.681 2.624 4.930 . 0 0 "[ . 1]" 1 1953 2 80 TYR H 2 133 GLU H . . 5.500 2.891 2.803 3.036 . 0 0 "[ . 1]" 1 1954 2 80 TYR HA 2 80 TYR QE . . 6.000 5.732 5.718 5.764 . 0 0 "[ . 1]" 1 1955 2 80 TYR HA 2 81 ARG H . . 2.800 2.470 2.362 2.572 . 0 0 "[ . 1]" 1 1956 2 80 TYR QD 2 81 ARG H . . 5.500 3.124 2.861 3.324 . 0 0 "[ . 1]" 1 1957 2 80 TYR QD 2 81 ARG HA . . 5.000 3.933 3.355 4.128 . 0 0 "[ . 1]" 1 1958 2 80 TYR QD 2 82 ILE MD . . 5.500 3.603 2.303 4.095 . 0 0 "[ . 1]" 1 1959 2 80 TYR QD 2 133 GLU H . . 5.500 4.688 4.429 4.852 . 0 0 "[ . 1]" 1 1960 2 80 TYR QD 2 135 ALA HA . . 5.000 4.725 4.470 4.889 . 0 0 "[ . 1]" 1 1961 2 80 TYR QE 2 82 ILE MD . . 3.200 2.301 2.113 2.469 . 0 0 "[ . 1]" 1 1962 2 80 TYR QE 2 82 ILE QG . . 3.300 2.619 2.409 3.000 . 0 0 "[ . 1]" 1 1963 2 80 TYR QE 2 133 GLU QB . . 5.000 3.262 2.938 3.651 . 0 0 "[ . 1]" 1 1964 2 80 TYR QE 2 133 GLU QG . . 6.000 4.696 3.952 5.360 . 0 0 "[ . 1]" 1 1965 2 80 TYR QE 2 135 ALA HA . . 3.300 2.960 2.546 3.218 . 0 0 "[ . 1]" 1 1966 2 80 TYR QE 2 136 PRO QD . . 6.000 4.266 3.907 4.534 . 0 0 "[ . 1]" 1 1967 2 80 TYR QE 2 168 ILE MD . . 5.500 4.217 3.847 4.583 . 0 0 "[ . 1]" 1 1968 2 81 ARG H 2 81 ARG HG2 . . 5.500 4.520 3.705 4.768 . 0 0 "[ . 1]" 1 1969 2 81 ARG H 2 133 GLU H . . 5.500 5.340 5.207 5.422 . 0 0 "[ . 1]" 1 1970 2 81 ARG HA 2 82 ILE H . . 3.400 2.230 2.186 2.283 . 0 0 "[ . 1]" 1 1971 2 81 ARG HD2 2 129 LEU MD2 . . 3.200 3.005 2.146 3.544 0.344 2 0 "[ . 1]" 1 1972 2 81 ARG HD3 2 129 LEU MD2 . . 3.200 2.508 2.028 3.775 0.575 1 1 "[+ . 1]" 1 1973 2 81 ARG HE 2 129 LEU HB2 . . 5.500 5.554 4.882 5.959 0.459 1 0 "[ . 1]" 1 1974 2 81 ARG HE 2 129 LEU MD1 . . 5.500 3.315 2.718 4.636 . 0 0 "[ . 1]" 1 1975 2 81 ARG HE 2 132 VAL MG2 . . 5.500 4.958 4.576 5.676 0.176 2 0 "[ . 1]" 1 1976 2 82 ILE H 2 82 ILE MD . . 5.500 3.979 3.549 4.180 . 0 0 "[ . 1]" 1 1977 2 82 ILE H 2 129 LEU MD1 . . 5.500 5.505 4.835 5.801 0.301 8 0 "[ . 1]" 1 1978 2 82 ILE H 2 129 LEU MD2 . . 5.500 3.629 3.049 5.750 0.250 8 0 "[ . 1]" 1 1979 2 82 ILE H 2 130 THR H . . 5.500 3.242 3.051 3.743 . 0 0 "[ . 1]" 1 1980 2 82 ILE HA 2 82 ILE MD . . 3.800 3.595 2.405 3.948 0.148 7 0 "[ . 1]" 1 1981 2 82 ILE HA 2 82 ILE QG . . 3.300 2.642 2.394 3.193 . 0 0 "[ . 1]" 1 1982 2 82 ILE HA 2 83 LYS H . . 3.400 2.163 2.085 2.233 . 0 0 "[ . 1]" 1 1983 2 82 ILE HB 2 130 THR H . . 5.500 3.819 3.367 4.262 . 0 0 "[ . 1]" 1 1984 2 82 ILE HB 2 130 THR MG . . 3.200 2.698 2.225 3.269 0.069 5 0 "[ . 1]" 1 1985 2 82 ILE MD 2 100 GLN HE21 . . 4.000 3.135 2.696 3.895 . 0 0 "[ . 1]" 1 1986 2 82 ILE MD 2 100 GLN HE22 . . 3.400 2.987 1.699 3.498 0.098 7 0 "[ . 1]" 1 1987 2 82 ILE MD 2 164 TRP HH2 . . 3.800 2.669 2.289 3.264 . 0 0 "[ . 1]" 1 1988 2 82 ILE MD 2 164 TRP HZ2 . . 3.800 3.036 2.631 3.456 . 0 0 "[ . 1]" 1 1989 2 82 ILE MG 2 83 LYS H . . 5.500 2.831 2.447 3.074 . 0 0 "[ . 1]" 1 1990 2 82 ILE MG 2 83 LYS HA . . 6.500 3.864 3.624 4.022 . 0 0 "[ . 1]" 1 1991 2 83 LYS H 2 83 LYS HD2 . . 5.500 5.281 4.769 5.951 0.451 5 0 "[ . 1]" 1 1992 2 83 LYS HA 2 84 ILE H . . 2.800 2.138 2.090 2.217 . 0 0 "[ . 1]" 1 1993 2 83 LYS HA 2 129 LEU HA . . 3.300 2.598 2.186 3.259 . 0 0 "[ . 1]" 1 1994 2 83 LYS HA 2 129 LEU MD2 . . 3.800 3.213 2.766 4.093 0.293 8 0 "[ . 1]" 1 1995 2 83 LYS HB3 2 84 ILE H . . 5.500 4.115 3.887 4.205 . 0 0 "[ . 1]" 1 1996 2 83 LYS QE 2 129 LEU MD1 . . 6.500 3.548 2.391 5.995 . 0 0 "[ . 1]" 1 1997 2 83 LYS QE 2 129 LEU MD2 . . 3.800 3.008 2.593 3.710 . 0 0 "[ . 1]" 1 1998 2 84 ILE H 2 84 ILE MD . . 5.500 3.432 2.560 3.913 . 0 0 "[ . 1]" 1 1999 2 84 ILE H 2 84 ILE HG12 . . 5.500 2.954 2.470 4.425 . 0 0 "[ . 1]" 1 2000 2 84 ILE H 2 128 PHE H . . 5.500 2.830 2.619 3.087 . 0 0 "[ . 1]" 1 2001 2 84 ILE HA 2 84 ILE MD . . 3.800 2.409 2.203 3.092 . 0 0 "[ . 1]" 1 2002 2 84 ILE HA 2 84 ILE MG . . 3.200 2.335 2.172 2.765 . 0 0 "[ . 1]" 1 2003 2 84 ILE HA 2 85 SER H . . 2.800 2.181 2.147 2.236 . 0 0 "[ . 1]" 1 2004 2 84 ILE HB 2 128 PHE H . . 5.500 3.489 3.050 4.006 . 0 0 "[ . 1]" 1 2005 2 84 ILE MD 2 85 SER H . . 5.500 4.186 3.927 4.876 . 0 0 "[ . 1]" 1 2006 2 84 ILE MD 2 98 TYR QD . . 3.800 3.720 3.605 3.910 0.110 4 0 "[ . 1]" 1 2007 2 84 ILE MD 2 98 TYR QE . . 3.800 2.670 2.448 2.899 . 0 0 "[ . 1]" 1 2008 2 84 ILE MD 2 162 TRP HH2 . . 3.800 2.669 2.261 3.780 . 0 0 "[ . 1]" 1 2009 2 84 ILE MD 2 162 TRP HZ2 . . 3.800 3.241 2.735 4.019 0.219 6 0 "[ . 1]" 1 2010 2 84 ILE MG 2 85 SER H . . 5.500 2.794 2.415 3.180 . 0 0 "[ . 1]" 1 2011 2 84 ILE MG 2 85 SER HA . . 5.500 3.971 3.400 4.266 . 0 0 "[ . 1]" 1 2012 2 84 ILE MG 2 86 PHE QB . . 6.500 3.343 3.133 3.503 . 0 0 "[ . 1]" 1 2013 2 84 ILE MG 2 86 PHE QE . . 5.500 3.634 2.618 4.279 . 0 0 "[ . 1]" 1 2014 2 84 ILE MG 2 128 PHE QB . . 6.500 3.985 2.939 4.824 . 0 0 "[ . 1]" 1 2015 2 84 ILE MG 2 151 PHE QE . . 5.500 2.004 1.962 2.072 . 0 0 "[ . 1]" 1 2016 2 84 ILE MG 2 151 PHE HZ . . 5.500 3.010 2.113 3.724 . 0 0 "[ . 1]" 1 2017 2 84 ILE MG 2 162 TRP HH2 . . 5.500 2.733 2.235 3.794 . 0 0 "[ . 1]" 1 2018 2 85 SER H 2 86 PHE H . . 5.500 4.449 4.366 4.551 . 0 0 "[ . 1]" 1 2019 2 85 SER HA 2 86 PHE H . . 2.800 2.202 2.139 2.243 . 0 0 "[ . 1]" 1 2020 2 85 SER HA 2 86 PHE QD . . 6.000 3.571 3.293 4.111 . 0 0 "[ . 1]" 1 2021 2 85 SER HA 2 127 GLU HA . . 3.300 2.585 2.264 2.883 . 0 0 "[ . 1]" 1 2022 2 85 SER HA 2 127 GLU QG . . 5.000 3.985 2.622 5.142 0.142 7 0 "[ . 1]" 1 2023 2 85 SER HA 2 128 PHE H . . 5.500 3.951 3.730 4.181 . 0 0 "[ . 1]" 1 2024 2 85 SER QB 2 125 GLU QB . . 5.000 3.683 3.134 4.238 . 0 0 "[ . 1]" 1 2025 2 85 SER HB2 2 86 PHE H . . 5.500 4.253 3.983 4.522 . 0 0 "[ . 1]" 1 2026 2 86 PHE H 2 86 PHE QD . . 5.500 3.032 2.891 3.390 . 0 0 "[ . 1]" 1 2027 2 86 PHE H 2 126 TYR H . . 5.500 3.274 3.034 3.698 . 0 0 "[ . 1]" 1 2028 2 86 PHE H 2 127 GLU HA . . 5.500 3.600 3.204 4.003 . 0 0 "[ . 1]" 1 2029 2 86 PHE HA 2 87 ARG H . . 2.800 2.116 2.090 2.149 . 0 0 "[ . 1]" 1 2030 2 86 PHE HB2 2 87 ARG H . . 5.500 3.035 2.864 3.140 . 0 0 "[ . 1]" 1 2031 2 86 PHE QD 2 87 ARG H . . 5.500 4.270 3.995 4.467 . 0 0 "[ . 1]" 1 2032 2 86 PHE QD 2 88 VAL MG1 . . 6.500 4.920 4.383 5.575 . 0 0 "[ . 1]" 1 2033 2 86 PHE QD 2 88 VAL MG2 . . 3.800 2.831 2.327 3.418 . 0 0 "[ . 1]" 1 2034 2 86 PHE QD 2 127 GLU HA . . 6.000 4.059 3.241 5.076 . 0 0 "[ . 1]" 1 2035 2 86 PHE QE 2 88 VAL MG2 . . 3.800 3.321 2.345 3.951 0.151 7 0 "[ . 1]" 1 2036 2 86 PHE QE 2 128 PHE HB2 . . 5.000 3.096 2.520 3.411 . 0 0 "[ . 1]" 1 2037 2 86 PHE QE 2 128 PHE HB3 . . 5.000 3.255 2.528 3.856 . 0 0 "[ . 1]" 1 2038 2 86 PHE HE2 2 88 VAL MG2 . . 5.500 3.970 2.347 6.248 0.748 1 2 "[+ . -1]" 1 2039 2 86 PHE HZ 2 88 VAL MG2 . . 6.500 5.313 4.238 5.974 . 0 0 "[ . 1]" 1 2040 2 86 PHE HZ 2 96 MET ME . . 3.800 3.349 2.800 3.940 0.140 8 0 "[ . 1]" 1 2041 2 86 PHE HZ 2 116 VAL MG1 . . 3.800 3.586 3.276 4.056 0.256 6 0 "[ . 1]" 1 2042 2 86 PHE HZ 2 151 PHE HZ . . 5.000 4.411 3.880 5.053 0.053 5 0 "[ . 1]" 1 2043 2 87 ARG H 2 87 ARG HG2 . . 5.500 4.480 3.736 4.745 . 0 0 "[ . 1]" 1 2044 2 87 ARG HA 2 87 ARG QD . . 3.300 3.200 2.779 3.466 0.166 3 0 "[ . 1]" 1 2045 2 87 ARG HA 2 88 VAL H . . 2.800 2.181 2.096 2.278 . 0 0 "[ . 1]" 1 2046 2 87 ARG HA 2 125 GLU HA . . 3.300 2.157 2.109 2.211 . 0 0 "[ . 1]" 1 2047 2 87 ARG HA 2 126 TYR QE . . 6.000 5.738 5.459 6.177 0.177 8 0 "[ . 1]" 1 2048 2 87 ARG QB 2 125 GLU HA . . 5.000 3.907 3.684 4.272 . 0 0 "[ . 1]" 1 2049 2 87 ARG HB2 2 88 VAL H . . 5.500 4.164 4.001 4.301 . 0 0 "[ . 1]" 1 2050 2 87 ARG QG 2 125 GLU HA . . 3.300 3.359 2.721 3.870 0.570 9 1 "[ . +1]" 1 2051 2 87 ARG HG2 2 88 VAL H . . 5.500 3.602 2.955 3.971 . 0 0 "[ . 1]" 1 2052 2 88 VAL HA 2 88 VAL MG1 . . 3.200 2.307 2.242 2.372 . 0 0 "[ . 1]" 1 2053 2 88 VAL HA 2 88 VAL MG2 . . 3.200 2.567 2.409 2.690 . 0 0 "[ . 1]" 1 2054 2 88 VAL HA 2 89 ASN H . . 3.400 2.268 2.158 2.353 . 0 0 "[ . 1]" 1 2055 2 88 VAL HB 2 89 ASN H . . 5.500 4.261 3.884 4.486 . 0 0 "[ . 1]" 1 2056 2 88 VAL HB 2 122 ARG H . . 5.500 2.570 2.198 2.889 . 0 0 "[ . 1]" 1 2057 2 88 VAL HB 2 126 TYR QE . . 3.300 3.325 2.853 3.763 0.463 8 0 "[ . 1]" 1 2058 2 88 VAL MG1 2 89 ASN HA . . 5.500 4.168 4.021 4.275 . 0 0 "[ . 1]" 1 2059 2 88 VAL MG1 2 121 PRO HA . . 3.200 2.152 2.108 2.180 . 0 0 "[ . 1]" 1 2060 2 88 VAL MG1 2 121 PRO QD . . 3.800 3.827 3.691 4.065 0.265 8 0 "[ . 1]" 1 2061 2 88 VAL MG1 2 126 TYR QE . . 5.500 3.836 3.579 4.029 . 0 0 "[ . 1]" 1 2062 2 88 VAL MG2 2 89 ASN H . . 5.500 4.336 4.049 4.589 . 0 0 "[ . 1]" 1 2063 2 88 VAL MG2 2 90 ARG H . . 5.500 5.370 5.273 5.444 . 0 0 "[ . 1]" 1 2064 2 88 VAL MG2 2 91 GLU H . . 5.500 5.377 4.775 5.938 0.438 6 0 "[ . 1]" 1 2065 2 88 VAL MG2 2 119 TYR HA . . 5.500 4.810 4.617 5.149 . 0 0 "[ . 1]" 1 2066 2 88 VAL MG2 2 119 TYR HB2 . . 3.800 3.117 2.790 3.481 . 0 0 "[ . 1]" 1 2067 2 88 VAL MG2 2 119 TYR HB3 . . 3.800 2.784 2.446 3.335 . 0 0 "[ . 1]" 1 2068 2 88 VAL MG2 2 119 TYR QE . . 6.500 5.430 5.291 5.540 . 0 0 "[ . 1]" 1 2069 2 88 VAL MG2 2 122 ARG H . . 5.500 3.710 3.343 4.184 . 0 0 "[ . 1]" 1 2070 2 88 VAL MG2 2 126 TYR QD . . 3.800 2.178 2.145 2.224 . 0 0 "[ . 1]" 1 2071 2 88 VAL MG2 2 126 TYR QE . . 3.800 2.392 2.208 2.685 . 0 0 "[ . 1]" 1 2072 2 89 ASN H 2 90 ARG H . . 3.400 2.771 2.550 3.101 . 0 0 "[ . 1]" 1 2073 2 89 ASN HA 2 89 ASN HB2 . . 2.800 2.728 2.588 2.906 0.106 2 0 "[ . 1]" 1 2074 2 89 ASN HA 2 89 ASN HB3 . . 2.800 2.958 2.855 3.014 0.214 9 0 "[ . 1]" 1 2075 2 89 ASN HA 2 90 ARG H . . 5.500 3.167 2.596 3.620 . 0 0 "[ . 1]" 1 2076 2 90 ARG H 2 91 GLU H . . 2.800 2.481 2.290 2.663 . 0 0 "[ . 1]" 1 2077 2 90 ARG HA 2 91 GLU H . . 5.500 3.222 2.759 3.635 . 0 0 "[ . 1]" 1 2078 2 90 ARG HA 2 121 PRO QG . . 5.000 4.824 4.117 5.431 0.431 1 0 "[ . 1]" 1 2079 2 90 ARG HB2 2 91 GLU H . . 5.500 3.887 2.779 4.569 . 0 0 "[ . 1]" 1 2080 2 91 GLU H 2 92 ILE H . . 5.500 4.446 4.405 4.468 . 0 0 "[ . 1]" 1 2081 2 91 GLU H 2 93 VAL MG2 . . 5.500 4.709 4.278 5.187 . 0 0 "[ . 1]" 1 2082 2 91 GLU HA 2 92 ILE H . . 2.800 2.413 2.327 2.487 . 0 0 "[ . 1]" 1 2083 2 91 GLU HA 2 92 ILE MD . . 5.500 5.200 5.071 5.831 0.331 8 0 "[ . 1]" 1 2084 2 91 GLU HA 2 92 ILE MG . . 5.500 5.464 4.185 5.657 0.157 9 0 "[ . 1]" 1 2085 2 91 GLU HA 2 121 PRO QD . . 3.300 3.335 3.039 3.651 0.351 8 0 "[ . 1]" 1 2086 2 91 GLU HB3 2 92 ILE H . . 3.400 3.267 2.304 3.697 0.297 1 0 "[ . 1]" 1 2087 2 91 GLU HG2 2 92 ILE H . . 5.500 3.598 1.926 4.862 . 0 0 "[ . 1]" 1 2088 2 92 ILE H 2 92 ILE MD . . 5.500 3.794 3.626 4.443 . 0 0 "[ . 1]" 1 2089 2 92 ILE HA 2 92 ILE MD . . 3.800 3.883 3.354 3.973 0.173 9 0 "[ . 1]" 1 2090 2 92 ILE HA 2 92 ILE MG . . 3.200 2.471 2.361 3.283 0.083 8 0 "[ . 1]" 1 2091 2 92 ILE HA 2 93 VAL H . . 2.800 2.169 2.135 2.238 . 0 0 "[ . 1]" 1 2092 2 92 ILE HA 2 93 VAL MG1 . . 5.500 4.341 4.192 4.454 . 0 0 "[ . 1]" 1 2093 2 92 ILE HA 2 93 VAL MG2 . . 3.800 3.378 3.140 3.508 . 0 0 "[ . 1]" 1 2094 2 92 ILE HA 2 120 GLY QA . . 3.300 2.090 2.064 2.164 . 0 0 "[ . 1]" 1 2095 2 92 ILE HA 2 121 PRO QD . . 3.300 2.779 2.630 2.966 . 0 0 "[ . 1]" 1 2096 2 92 ILE HB 2 93 VAL H . . 5.500 4.056 4.003 4.123 . 0 0 "[ . 1]" 1 2097 2 92 ILE MD 2 120 GLY QA . . 3.800 3.358 2.192 3.783 . 0 0 "[ . 1]" 1 2098 2 92 ILE MD 2 121 PRO QD . . 3.800 3.085 2.423 3.260 . 0 0 "[ . 1]" 1 2099 2 92 ILE QG 2 121 PRO QD . . 3.300 2.124 1.924 3.428 0.128 8 0 "[ . 1]" 1 2100 2 92 ILE MG 2 93 VAL H . . 3.400 2.605 2.383 3.629 0.229 8 0 "[ . 1]" 1 2101 2 92 ILE MG 2 93 VAL HA . . 5.500 3.671 3.576 3.818 . 0 0 "[ . 1]" 1 2102 2 92 ILE MG 2 94 SER HA . . 5.500 4.701 4.472 5.916 0.416 8 0 "[ . 1]" 1 2103 2 92 ILE MG 2 94 SER QB . . 5.500 3.518 3.204 4.422 . 0 0 "[ . 1]" 1 2104 2 92 ILE MG 2 120 GLY QA . . 3.800 2.691 2.321 4.098 0.298 8 0 "[ . 1]" 1 2105 2 92 ILE MG 2 121 PRO QD . . 3.800 3.657 3.611 3.730 . 0 0 "[ . 1]" 1 2106 2 93 VAL H 2 93 VAL HB . . 3.400 3.710 3.644 3.766 0.366 4 0 "[ . 1]" 1 2107 2 93 VAL HA 2 93 VAL MG1 . . 3.200 2.197 2.150 2.245 . 0 0 "[ . 1]" 1 2108 2 93 VAL HA 2 93 VAL MG2 . . 3.200 3.233 3.215 3.248 0.048 10 0 "[ . 1]" 1 2109 2 93 VAL HA 2 94 SER H . . 2.800 2.150 2.110 2.181 . 0 0 "[ . 1]" 1 2110 2 93 VAL HB 2 94 SER H . . 3.400 3.149 2.965 3.454 0.054 7 0 "[ . 1]" 1 2111 2 93 VAL MG1 2 94 SER H . . 3.400 3.393 3.206 3.669 0.269 7 0 "[ . 1]" 1 2112 2 93 VAL MG1 2 94 SER HA . . 5.500 5.380 5.316 5.467 . 0 0 "[ . 1]" 1 2113 2 93 VAL MG1 2 96 MET HA . . 5.500 5.595 5.003 5.960 0.460 1 0 "[ . 1]" 1 2114 2 93 VAL MG1 2 96 MET QG . . 3.800 3.577 3.104 3.961 0.161 1 0 "[ . 1]" 1 2115 2 93 VAL MG1 2 153 ASP QB . . 3.800 3.564 3.052 4.359 0.559 7 1 "[ . + 1]" 1 2116 2 93 VAL MG2 2 94 SER H . . 5.500 4.273 4.170 4.399 . 0 0 "[ . 1]" 1 2117 2 93 VAL MG2 2 119 TYR QD . . 6.500 3.653 3.085 4.150 . 0 0 "[ . 1]" 1 2118 2 94 SER HA 2 94 SER HB2 . . 2.800 2.503 2.439 2.593 . 0 0 "[ . 1]" 1 2119 2 94 SER HA 2 94 SER HB3 . . 2.800 2.388 2.286 2.443 . 0 0 "[ . 1]" 1 2120 2 94 SER HA 2 95 GLY H . . 5.500 2.209 2.085 2.350 . 0 0 "[ . 1]" 1 2121 2 94 SER HA 2 118 SER HA . . 2.800 2.419 2.232 2.801 0.001 8 0 "[ . 1]" 1 2122 2 94 SER HA 2 118 SER HB2 . . 3.300 2.609 2.308 2.731 . 0 0 "[ . 1]" 1 2123 2 94 SER HA 2 118 SER HB3 . . 3.300 2.203 2.134 2.250 . 0 0 "[ . 1]" 1 2124 2 94 SER HB2 2 95 GLY H . . 5.500 2.997 2.502 3.878 . 0 0 "[ . 1]" 1 2125 2 94 SER HB2 2 118 SER HA . . 5.000 4.623 4.253 5.159 0.159 8 0 "[ . 1]" 1 2126 2 94 SER HB3 2 118 SER HA . . 5.000 4.187 3.872 4.692 . 0 0 "[ . 1]" 1 2127 2 95 GLY H 2 96 MET H . . 5.500 2.451 2.028 2.811 . 0 0 "[ . 1]" 1 2128 2 95 GLY H 2 118 SER HA . . 5.500 3.430 2.941 3.867 . 0 0 "[ . 1]" 1 2129 2 95 GLY QA 2 154 ASP HA . . 5.000 3.885 3.704 4.073 . 0 0 "[ . 1]" 1 2130 2 95 GLY HA2 2 96 MET H . . 5.500 3.022 2.931 3.104 . 0 0 "[ . 1]" 1 2131 2 95 GLY HA2 2 115 MET ME . . 5.500 3.204 2.267 3.925 . 0 0 "[ . 1]" 1 2132 2 95 GLY HA2 2 154 ASP HB2 . . 6.000 4.370 3.965 5.423 . 0 0 "[ . 1]" 1 2133 2 95 GLY HA2 2 154 ASP HB3 . . 6.000 5.219 3.625 5.709 . 0 0 "[ . 1]" 1 2134 2 95 GLY HA3 2 96 MET H . . 5.500 3.543 3.502 3.595 . 0 0 "[ . 1]" 1 2135 2 95 GLY HA3 2 115 MET ME . . 5.500 4.341 2.789 5.297 . 0 0 "[ . 1]" 1 2136 2 95 GLY HA3 2 154 ASP HB2 . . 6.000 2.688 2.254 3.881 . 0 0 "[ . 1]" 1 2137 2 95 GLY HA3 2 154 ASP HB3 . . 6.000 3.594 2.149 4.060 . 0 0 "[ . 1]" 1 2138 2 96 MET H 2 96 MET HG2 . . 5.500 3.325 2.844 3.888 . 0 0 "[ . 1]" 1 2139 2 96 MET H 2 117 GLY H . . 5.500 3.743 3.635 3.854 . 0 0 "[ . 1]" 1 2140 2 96 MET HA 2 96 MET ME . . 5.500 4.148 3.988 4.294 . 0 0 "[ . 1]" 1 2141 2 96 MET HA 2 97 LYS H . . 5.500 2.138 2.118 2.160 . 0 0 "[ . 1]" 1 2142 2 96 MET HA 2 153 ASP HA . . 2.800 2.196 2.076 2.349 . 0 0 "[ . 1]" 1 2143 2 96 MET HA 2 153 ASP HB2 . . 5.000 3.940 3.344 4.800 . 0 0 "[ . 1]" 1 2144 2 96 MET HA 2 153 ASP HB3 . . 5.000 4.281 2.998 5.075 0.075 3 0 "[ . 1]" 1 2145 2 96 MET QB 2 116 VAL MG1 . . 3.800 3.956 3.806 4.059 0.259 2 0 "[ . 1]" 1 2146 2 96 MET QB 2 116 VAL MG2 . . 5.500 1.887 1.855 1.912 . 0 0 "[ . 1]" 1 2147 2 96 MET HB2 2 117 GLY H . . 5.500 3.270 3.036 3.458 . 0 0 "[ . 1]" 1 2148 2 96 MET HB3 2 116 VAL MG2 . . 5.500 2.170 2.075 2.236 . 0 0 "[ . 1]" 1 2149 2 96 MET ME 2 116 VAL MG2 . . 7.000 2.196 2.070 2.321 . 0 0 "[ . 1]" 1 2150 2 96 MET ME 2 119 TYR QD . . 3.200 2.852 2.188 3.326 0.126 3 0 "[ . 1]" 1 2151 2 96 MET ME 2 151 PHE QD . . 3.800 3.217 2.776 3.617 . 0 0 "[ . 1]" 1 2152 2 96 MET ME 2 151 PHE HZ . . 3.800 3.649 3.423 3.938 0.138 5 0 "[ . 1]" 1 2153 2 96 MET ME 2 153 ASP HA . . 5.500 5.669 5.353 5.945 0.445 6 0 "[ . 1]" 1 2154 2 96 MET QG 2 119 TYR QE . . 5.000 4.701 3.946 5.148 0.148 2 0 "[ . 1]" 1 2155 2 96 MET QG 2 151 PHE QE . . 6.000 4.694 4.394 4.918 . 0 0 "[ . 1]" 1 2156 2 96 MET QG 2 153 ASP HA . . 5.000 3.446 3.197 3.843 . 0 0 "[ . 1]" 1 2157 2 97 LYS H 2 152 THR H . . 5.500 3.091 2.984 3.207 . 0 0 "[ . 1]" 1 2158 2 97 LYS HA 2 98 TYR H . . 3.400 2.091 2.071 2.113 . 0 0 "[ . 1]" 1 2159 2 97 LYS HA 2 115 MET HA . . 3.300 2.370 2.076 2.614 . 0 0 "[ . 1]" 1 2160 2 97 LYS HA 2 116 VAL MG1 . . 5.500 3.767 3.298 4.192 . 0 0 "[ . 1]" 1 2161 2 97 LYS HA 2 116 VAL MG2 . . 3.800 3.056 2.852 3.279 . 0 0 "[ . 1]" 1 2162 2 97 LYS HB2 2 98 TYR H . . 5.500 4.336 4.161 4.455 . 0 0 "[ . 1]" 1 2163 2 97 LYS HB2 2 115 MET ME . . 5.500 4.671 2.546 5.887 0.387 3 0 "[ . 1]" 1 2164 2 97 LYS QE 2 99 ILE MG . . 5.500 5.236 4.193 5.792 0.292 1 0 "[ . 1]" 1 2165 2 97 LYS HG2 2 98 TYR H . . 5.500 3.183 2.600 4.233 . 0 0 "[ . 1]" 1 2166 2 97 LYS HG2 2 115 MET HA . . 5.000 3.189 2.117 4.183 . 0 0 "[ . 1]" 1 2167 2 97 LYS HG2 2 115 MET ME . . 5.500 4.915 3.256 5.912 0.412 6 0 "[ . 1]" 1 2168 2 97 LYS HG3 2 115 MET HA . . 5.000 2.682 2.219 3.288 . 0 0 "[ . 1]" 1 2169 2 98 TYR H 2 116 VAL MG1 . . 5.500 3.227 2.771 3.512 . 0 0 "[ . 1]" 1 2170 2 98 TYR HA 2 99 ILE H . . 2.800 2.134 2.090 2.155 . 0 0 "[ . 1]" 1 2171 2 98 TYR HA 2 99 ILE MD . . 5.500 3.609 2.897 3.963 . 0 0 "[ . 1]" 1 2172 2 98 TYR HA 2 99 ILE MG . . 5.500 5.479 5.382 5.514 0.014 3 0 "[ . 1]" 1 2173 2 98 TYR HA 2 151 PHE HA . . 3.300 2.858 2.801 2.972 . 0 0 "[ . 1]" 1 2174 2 98 TYR HA 2 151 PHE QE . . 6.000 4.037 3.880 4.269 . 0 0 "[ . 1]" 1 2175 2 98 TYR HA 2 152 THR H . . 5.500 3.965 3.822 4.099 . 0 0 "[ . 1]" 1 2176 2 98 TYR QB 2 114 TYR QD . . 6.000 4.420 4.131 5.031 . 0 0 "[ . 1]" 1 2177 2 98 TYR HB2 2 116 VAL MG2 . . 3.800 3.929 3.704 4.262 0.462 4 0 "[ . 1]" 1 2178 2 98 TYR HB3 2 116 VAL MG1 . . 5.500 2.798 2.464 3.025 . 0 0 "[ . 1]" 1 2179 2 98 TYR QD 2 99 ILE H . . 5.500 3.565 3.008 3.792 . 0 0 "[ . 1]" 1 2180 2 98 TYR QD 2 114 TYR HB2 . . 5.000 2.536 2.197 3.553 . 0 0 "[ . 1]" 1 2181 2 98 TYR HD2 2 114 TYR QD . . 3.300 2.633 2.236 3.345 0.045 4 0 "[ . 1]" 1 2182 2 98 TYR QE 2 100 GLN QG . . 5.000 3.531 2.942 4.171 . 0 0 "[ . 1]" 1 2183 2 98 TYR QE 2 149 SER HA . . 5.000 3.828 3.586 4.102 . 0 0 "[ . 1]" 1 2184 2 98 TYR QE 2 149 SER HB2 . . 3.300 3.225 2.218 3.922 0.622 9 4 "[ * *- +1]" 1 2185 2 98 TYR QE 2 149 SER HB3 . . 3.300 2.371 2.146 2.904 . 0 0 "[ . 1]" 1 2186 2 99 ILE H 2 99 ILE MD . . 5.500 2.881 2.405 3.198 . 0 0 "[ . 1]" 1 2187 2 99 ILE H 2 99 ILE HG12 . . 5.500 3.143 2.249 4.530 . 0 0 "[ . 1]" 1 2188 2 99 ILE H 2 99 ILE HG13 . . 5.500 3.819 3.715 3.897 . 0 0 "[ . 1]" 1 2189 2 99 ILE H 2 150 ARG H . . 5.500 2.898 2.764 3.020 . 0 0 "[ . 1]" 1 2190 2 99 ILE H 2 151 PHE HA . . 5.500 3.742 3.524 3.924 . 0 0 "[ . 1]" 1 2191 2 99 ILE HA 2 99 ILE MD . . 3.800 2.836 2.528 3.482 . 0 0 "[ . 1]" 1 2192 2 99 ILE HA 2 99 ILE QG . . 3.300 2.947 2.334 3.311 0.011 10 0 "[ . 1]" 1 2193 2 99 ILE HA 2 99 ILE MG . . 3.200 2.329 2.238 2.493 . 0 0 "[ . 1]" 1 2194 2 99 ILE HA 2 100 GLN H . . 2.800 2.203 2.151 2.235 . 0 0 "[ . 1]" 1 2195 2 99 ILE HA 2 100 GLN QB . . 5.000 4.008 3.921 4.080 . 0 0 "[ . 1]" 1 2196 2 99 ILE HA 2 113 ASP HA . . 2.800 2.319 2.232 2.372 . 0 0 "[ . 1]" 1 2197 2 99 ILE HA 2 113 ASP QB . . 5.000 2.835 2.426 3.812 . 0 0 "[ . 1]" 1 2198 2 99 ILE HA 2 114 TYR H . . 5.500 3.566 3.292 3.655 . 0 0 "[ . 1]" 1 2199 2 99 ILE HB 2 150 ARG H . . 5.500 3.031 2.361 3.604 . 0 0 "[ . 1]" 1 2200 2 99 ILE MD 2 113 ASP HA . . 3.800 3.735 3.419 4.252 0.452 4 0 "[ . 1]" 1 2201 2 99 ILE MD 2 113 ASP QB . . 5.500 2.583 2.039 3.512 . 0 0 "[ . 1]" 1 2202 2 99 ILE MD 2 150 ARG QB . . 3.800 3.695 2.763 3.909 0.109 10 0 "[ . 1]" 1 2203 2 99 ILE MD 2 152 THR H . . 5.500 4.031 3.037 4.503 . 0 0 "[ . 1]" 1 2204 2 99 ILE MD 2 152 THR MG . . 3.700 2.514 2.229 2.806 . 0 0 "[ . 1]" 1 2205 2 99 ILE QG 2 113 ASP HA . . 5.000 4.235 2.680 5.128 0.128 2 0 "[ . 1]" 1 2206 2 99 ILE HG12 2 100 GLN H . . 5.500 5.273 5.061 5.416 . 0 0 "[ . 1]" 1 2207 2 99 ILE HG13 2 100 GLN H . . 5.500 5.043 4.177 5.598 0.098 1 0 "[ . 1]" 1 2208 2 99 ILE MG 2 100 GLN H . . 3.400 2.545 2.454 2.627 . 0 0 "[ . 1]" 1 2209 2 99 ILE MG 2 100 GLN HA . . 5.500 3.739 3.247 3.958 . 0 0 "[ . 1]" 1 2210 2 99 ILE MG 2 101 HIS HD2 . . 3.800 2.906 2.561 4.052 0.252 7 0 "[ . 1]" 1 2211 2 99 ILE MG 2 113 ASP HA . . 3.800 3.553 3.166 3.952 0.152 7 0 "[ . 1]" 1 2212 2 99 ILE MG 2 113 ASP HB2 . . 5.500 3.832 3.477 5.122 . 0 0 "[ . 1]" 1 2213 2 99 ILE MG 2 113 ASP HB3 . . 5.500 2.674 2.292 4.336 . 0 0 "[ . 1]" 1 2214 2 99 ILE MG 2 150 ARG H . . 5.500 4.159 3.060 4.397 . 0 0 "[ . 1]" 1 2215 2 99 ILE MG 2 150 ARG QD . . 5.500 4.125 3.876 4.730 . 0 0 "[ . 1]" 1 2216 2 100 GLN H 2 112 THR H . . 3.400 3.310 3.106 3.682 0.282 7 0 "[ . 1]" 1 2217 2 100 GLN H 2 113 ASP HA . . 5.500 3.179 2.989 3.607 . 0 0 "[ . 1]" 1 2218 2 100 GLN HA 2 101 HIS H . . 2.800 2.144 2.093 2.203 . 0 0 "[ . 1]" 1 2219 2 100 GLN HA 2 147 ILE MG . . 5.500 3.432 3.250 3.642 . 0 0 "[ . 1]" 1 2220 2 100 GLN QB 2 114 TYR QE . . 5.000 3.624 2.610 5.176 0.176 4 0 "[ . 1]" 1 2221 2 100 GLN QB 2 149 SER HA . . 5.000 3.979 3.604 4.344 . 0 0 "[ . 1]" 1 2222 2 100 GLN HB2 2 101 HIS H . . 5.500 4.346 4.224 4.452 . 0 0 "[ . 1]" 1 2223 2 100 GLN HB3 2 101 HIS H . . 5.500 4.358 4.279 4.466 . 0 0 "[ . 1]" 1 2224 2 100 GLN HE21 2 147 ILE MD . . 4.000 3.932 3.651 4.325 0.325 4 0 "[ . 1]" 1 2225 2 100 GLN HE21 2 147 ILE MG . . 3.800 2.320 2.133 2.563 . 0 0 "[ . 1]" 1 2226 2 100 GLN HE22 2 147 ILE MD . . 4.000 4.295 4.094 4.681 0.681 1 1 "[+ . 1]" 1 2227 2 100 GLN QG 2 147 ILE MG . . 3.200 2.094 1.988 2.267 . 0 0 "[ . 1]" 1 2228 2 100 GLN QG 2 149 SER HA . . 5.000 4.020 3.546 4.400 . 0 0 "[ . 1]" 1 2229 2 100 GLN HG2 2 147 ILE MD . . 5.500 5.388 5.107 5.579 0.079 2 0 "[ . 1]" 1 2230 2 100 GLN HG3 2 147 ILE MD . . 5.500 5.578 5.057 5.891 0.391 7 0 "[ . 1]" 1 2231 2 101 HIS H 2 103 TYR QD . . 5.500 5.420 5.243 5.492 . 0 0 "[ . 1]" 1 2232 2 101 HIS H 2 147 ILE MG . . 5.500 3.020 2.560 3.309 . 0 0 "[ . 1]" 1 2233 2 101 HIS H 2 148 LYS H . . 5.500 2.811 2.671 2.978 . 0 0 "[ . 1]" 1 2234 2 101 HIS H 2 149 SER HA . . 5.500 3.948 3.724 4.104 . 0 0 "[ . 1]" 1 2235 2 101 HIS HA 2 102 THR H . . 2.800 2.338 2.292 2.410 . 0 0 "[ . 1]" 1 2236 2 101 HIS HA 2 111 LYS HA . . 2.800 2.239 2.139 2.308 . 0 0 "[ . 1]" 1 2237 2 101 HIS HA 2 111 LYS QB . . 3.300 2.240 2.010 3.548 0.248 7 0 "[ . 1]" 1 2238 2 101 HIS HA 2 112 THR H . . 5.500 3.377 2.675 3.509 . 0 0 "[ . 1]" 1 2239 2 101 HIS QB 2 103 TYR QE . . 3.300 2.160 2.082 2.227 . 0 0 "[ . 1]" 1 2240 2 101 HIS HB2 2 148 LYS QB . . 5.000 2.155 2.095 2.283 . 0 0 "[ . 1]" 1 2241 2 101 HIS HB3 2 148 LYS QB . . 5.000 3.628 3.522 3.806 . 0 0 "[ . 1]" 1 2242 2 101 HIS HD2 2 111 LYS QB . . 3.300 3.737 3.465 3.958 0.658 8 3 "[ *-. + 1]" 1 2243 2 101 HIS HD2 2 148 LYS HA . . 5.000 5.159 4.991 5.738 0.738 7 1 "[ . + 1]" 1 2244 2 102 THR H 2 102 THR HB . . 3.400 2.898 2.778 2.997 . 0 0 "[ . 1]" 1 2245 2 102 THR H 2 110 ASP H . . 5.500 3.421 3.306 3.558 . 0 0 "[ . 1]" 1 2246 2 102 THR H 2 110 ASP HB3 . . 5.500 4.870 3.967 5.065 . 0 0 "[ . 1]" 1 2247 2 102 THR HA 2 102 THR MG . . 3.200 2.286 2.234 2.378 . 0 0 "[ . 1]" 1 2248 2 102 THR HA 2 103 TYR H . . 3.400 2.106 2.096 2.123 . 0 0 "[ . 1]" 1 2249 2 102 THR HA 2 147 ILE MD . . 3.800 3.892 3.855 3.959 0.159 5 0 "[ . 1]" 1 2250 2 102 THR HA 2 147 ILE HG12 . . 5.000 4.042 3.810 4.381 . 0 0 "[ . 1]" 1 2251 2 102 THR HA 2 147 ILE HG13 . . 6.000 2.538 2.424 2.717 . 0 0 "[ . 1]" 1 2252 2 102 THR HA 2 147 ILE MG . . 5.500 4.086 3.915 4.187 . 0 0 "[ . 1]" 1 2253 2 102 THR HB 2 109 ILE MD . . 5.500 2.692 2.450 2.962 . 0 0 "[ . 1]" 1 2254 2 102 THR HB 2 109 ILE MG . . 6.500 5.145 4.982 5.407 . 0 0 "[ . 1]" 1 2255 2 102 THR MG 2 103 TYR H . . 5.500 2.685 2.540 2.910 . 0 0 "[ . 1]" 1 2256 2 102 THR MG 2 103 TYR HA . . 5.500 4.073 3.876 4.281 . 0 0 "[ . 1]" 1 2257 2 102 THR MG 2 103 TYR QD . . 5.500 4.584 4.440 4.723 . 0 0 "[ . 1]" 1 2258 2 102 THR MG 2 104 ARG H . . 5.500 4.582 4.240 4.926 . 0 0 "[ . 1]" 1 2259 2 102 THR MG 2 109 ILE H . . 5.500 4.656 4.516 4.826 . 0 0 "[ . 1]" 1 2260 2 102 THR MG 2 110 ASP H . . 5.500 4.756 4.626 4.921 . 0 0 "[ . 1]" 1 2261 2 102 THR MG 2 110 ASP QB . . 5.500 5.125 4.364 5.374 . 0 0 "[ . 1]" 1 2262 2 102 THR MG 2 145 TYR HA . . 5.500 4.708 4.635 4.824 . 0 0 "[ . 1]" 1 2263 2 102 THR MG 2 145 TYR HB2 . . 5.500 3.932 3.711 4.104 . 0 0 "[ . 1]" 1 2264 2 102 THR MG 2 145 TYR HB3 . . 3.800 2.884 2.750 3.013 . 0 0 "[ . 1]" 1 2265 2 102 THR MG 2 145 TYR QD . . 3.200 2.404 2.270 2.491 . 0 0 "[ . 1]" 1 2266 2 102 THR MG 2 145 TYR QE . . 5.500 3.882 3.601 4.026 . 0 0 "[ . 1]" 1 2267 2 102 THR MG 2 146 SER H . . 5.500 4.768 4.516 5.027 . 0 0 "[ . 1]" 1 2268 2 102 THR MG 2 147 ILE HA . . 5.500 4.310 4.180 4.454 . 0 0 "[ . 1]" 1 2269 2 102 THR MG 2 147 ILE MD . . 3.700 3.018 2.915 3.107 . 0 0 "[ . 1]" 1 2270 2 102 THR MG 2 147 ILE HG12 . . 5.500 3.651 3.274 4.083 . 0 0 "[ . 1]" 1 2271 2 102 THR MG 2 147 ILE HG13 . . 5.500 2.794 2.628 2.987 . 0 0 "[ . 1]" 1 2272 2 103 TYR H 2 103 TYR QD . . 5.500 2.697 2.582 2.764 . 0 0 "[ . 1]" 1 2273 2 103 TYR H 2 146 SER H . . 5.500 3.450 3.196 3.772 . 0 0 "[ . 1]" 1 2274 2 103 TYR HA 2 104 ARG H . . 2.800 2.152 2.104 2.175 . 0 0 "[ . 1]" 1 2275 2 103 TYR HA 2 108 LYS HA . . 2.800 2.251 2.034 2.675 . 0 0 "[ . 1]" 1 2276 2 103 TYR HA 2 109 ILE H . . 5.500 2.971 2.571 3.173 . 0 0 "[ . 1]" 1 2277 2 103 TYR HA 2 109 ILE MD . . 5.500 2.982 2.358 4.273 . 0 0 "[ . 1]" 1 2278 2 103 TYR HA 2 109 ILE MG . . 5.500 4.008 3.098 4.397 . 0 0 "[ . 1]" 1 2279 2 103 TYR HB3 2 104 ARG H . . 5.500 3.282 3.141 3.378 . 0 0 "[ . 1]" 1 2280 2 103 TYR QD 2 104 ARG H . . 5.500 4.515 4.413 4.583 . 0 0 "[ . 1]" 1 2281 2 103 TYR QD 2 106 GLY QA . . 6.000 3.509 3.345 3.858 . 0 0 "[ . 1]" 1 2282 2 103 TYR QD 2 107 VAL H . . 5.500 3.790 3.629 3.932 . 0 0 "[ . 1]" 1 2283 2 103 TYR QD 2 108 LYS H . . 5.500 3.005 2.908 3.099 . 0 0 "[ . 1]" 1 2284 2 103 TYR QE 2 107 VAL HA . . 6.000 4.750 4.446 4.997 . 0 0 "[ . 1]" 1 2285 2 103 TYR QE 2 108 LYS HA . . 6.000 4.145 3.579 4.557 . 0 0 "[ . 1]" 1 2286 2 103 TYR QE 2 148 LYS QB . . 3.300 2.817 2.404 3.274 . 0 0 "[ . 1]" 1 2287 2 103 TYR QE 2 148 LYS QE . . 6.000 5.190 2.225 5.861 . 0 0 "[ . 1]" 1 2288 2 104 ARG H 2 104 ARG HG2 . . 5.500 4.540 4.368 4.681 . 0 0 "[ . 1]" 1 2289 2 104 ARG H 2 107 VAL H . . 3.400 2.934 2.767 3.119 . 0 0 "[ . 1]" 1 2290 2 104 ARG H 2 107 VAL HB . . 5.500 3.558 3.449 3.722 . 0 0 "[ . 1]" 1 2291 2 104 ARG H 2 107 VAL MG2 . . 5.500 4.741 4.631 4.898 . 0 0 "[ . 1]" 1 2292 2 104 ARG H 2 108 LYS HA . . 5.500 3.792 3.519 4.159 . 0 0 "[ . 1]" 1 2293 2 104 ARG H 2 109 ILE MD . . 5.500 2.837 2.332 4.030 . 0 0 "[ . 1]" 1 2294 2 104 ARG H 2 109 ILE MG . . 5.500 3.204 2.174 3.545 . 0 0 "[ . 1]" 1 2295 2 104 ARG HA 2 145 TYR HA . . 3.300 3.072 2.977 3.210 . 0 0 "[ . 1]" 1 2296 2 104 ARG QB 2 109 ILE MD . . 3.800 2.151 1.974 2.563 . 0 0 "[ . 1]" 1 2297 2 104 ARG QB 2 109 ILE MG . . 5.500 2.618 1.992 2.838 . 0 0 "[ . 1]" 1 2298 2 104 ARG QB 2 145 TYR QE . . 5.000 2.221 2.149 2.309 . 0 0 "[ . 1]" 1 2299 2 104 ARG QD 2 109 ILE MD . . 5.500 3.873 2.966 5.025 . 0 0 "[ . 1]" 1 2300 2 104 ARG HD2 2 145 TYR QD . . 6.000 5.744 4.531 6.203 0.203 5 0 "[ . 1]" 1 2301 2 104 ARG HD2 2 145 TYR QE . . 5.000 4.190 2.273 5.059 0.059 9 0 "[ . 1]" 1 2302 2 104 ARG HD3 2 145 TYR QD . . 6.000 5.699 4.471 6.305 0.305 4 0 "[ . 1]" 1 2303 2 104 ARG HD3 2 145 TYR QE . . 5.000 4.361 2.328 5.051 0.051 10 0 "[ . 1]" 1 2304 2 104 ARG QG 2 145 TYR HA . . 5.000 4.831 4.766 4.892 . 0 0 "[ . 1]" 1 2305 2 105 LYS HA 2 106 GLY H . . 2.800 2.827 2.795 2.857 0.057 5 0 "[ . 1]" 1 2306 2 105 LYS HA 2 107 VAL H . . 5.500 4.627 4.543 4.729 . 0 0 "[ . 1]" 1 2307 2 105 LYS HB2 2 106 GLY H . . 5.500 4.539 4.298 4.636 . 0 0 "[ . 1]" 1 2308 2 105 LYS HG2 2 106 GLY H . . 5.500 4.819 4.580 5.056 . 0 0 "[ . 1]" 1 2309 2 106 GLY H 2 107 VAL H . . 3.400 2.604 2.542 2.678 . 0 0 "[ . 1]" 1 2310 2 106 GLY HA2 2 107 VAL H . . 5.500 3.128 3.027 3.208 . 0 0 "[ . 1]" 1 2311 2 106 GLY HA3 2 107 VAL H . . 5.500 3.496 3.443 3.564 . 0 0 "[ . 1]" 1 2312 2 107 VAL H 2 109 ILE MG . . 5.500 5.020 4.434 5.239 . 0 0 "[ . 1]" 1 2313 2 107 VAL HA 2 108 LYS H . . 2.800 2.171 2.135 2.221 . 0 0 "[ . 1]" 1 2314 2 107 VAL HB 2 108 LYS H . . 5.500 4.341 4.143 4.419 . 0 0 "[ . 1]" 1 2315 2 107 VAL MG2 2 108 LYS H . . 5.000 4.218 4.071 4.299 . 0 0 "[ . 1]" 1 2316 2 108 LYS H 2 108 LYS HB3 . . 3.400 2.637 2.411 2.896 . 0 0 "[ . 1]" 1 2317 2 108 LYS HA 2 108 LYS QG . . 3.300 3.047 2.196 3.425 0.125 4 0 "[ . 1]" 1 2318 2 108 LYS HA 2 109 ILE H . . 2.800 2.151 2.129 2.169 . 0 0 "[ . 1]" 1 2319 2 108 LYS HA 2 109 ILE MD . . 5.500 3.819 3.106 5.663 0.163 7 0 "[ . 1]" 1 2320 2 108 LYS HA 2 109 ILE MG . . 5.500 4.154 4.011 4.241 . 0 0 "[ . 1]" 1 2321 2 108 LYS HB3 2 109 ILE H . . 5.500 4.170 3.961 4.334 . 0 0 "[ . 1]" 1 2322 2 109 ILE H 2 109 ILE MD . . 5.500 2.675 2.023 4.076 . 0 0 "[ . 1]" 1 2323 2 109 ILE H 2 109 ILE HG12 . . 5.500 2.459 2.352 2.692 . 0 0 "[ . 1]" 1 2324 2 109 ILE H 2 110 ASP H . . 2.800 2.172 2.026 2.293 . 0 0 "[ . 1]" 1 2325 2 109 ILE HA 2 109 ILE HB . . 2.800 2.504 2.421 2.528 . 0 0 "[ . 1]" 1 2326 2 109 ILE HA 2 109 ILE MD . . 3.800 3.856 3.698 4.215 0.415 4 0 "[ . 1]" 1 2327 2 109 ILE HA 2 109 ILE MG . . 3.200 2.204 2.172 2.261 . 0 0 "[ . 1]" 1 2328 2 109 ILE HA 2 110 ASP H . . 5.500 3.565 3.540 3.589 . 0 0 "[ . 1]" 1 2329 2 109 ILE HB 2 110 ASP H . . 5.500 3.618 3.524 3.854 . 0 0 "[ . 1]" 1 2330 2 109 ILE MD 2 110 ASP H . . 5.500 3.559 3.376 3.906 . 0 0 "[ . 1]" 1 2331 2 109 ILE MD 2 145 TYR QD . . 3.800 3.091 2.820 3.361 . 0 0 "[ . 1]" 1 2332 2 109 ILE MD 2 145 TYR QE . . 3.200 3.134 3.005 3.306 0.106 8 0 "[ . 1]" 1 2333 2 109 ILE HG12 2 110 ASP H . . 5.500 2.473 2.057 3.420 . 0 0 "[ . 1]" 1 2334 2 109 ILE MG 2 110 ASP H . . 5.500 4.192 4.128 4.234 . 0 0 "[ . 1]" 1 2335 2 110 ASP H 2 111 LYS H . . 5.500 4.353 4.330 4.377 . 0 0 "[ . 1]" 1 2336 2 110 ASP HA 2 111 LYS H . . 2.800 2.528 2.376 2.588 . 0 0 "[ . 1]" 1 2337 2 111 LYS H 2 112 THR H . . 5.500 4.325 4.172 4.407 . 0 0 "[ . 1]" 1 2338 2 111 LYS HA 2 112 THR H . . 2.800 2.234 2.093 2.290 . 0 0 "[ . 1]" 1 2339 2 111 LYS HG2 2 112 THR H . . 5.500 4.415 3.695 5.385 . 0 0 "[ . 1]" 1 2340 2 112 THR HA 2 112 THR MG . . 3.200 2.236 2.139 2.363 . 0 0 "[ . 1]" 1 2341 2 112 THR HA 2 113 ASP H . . 2.800 2.204 2.120 2.318 . 0 0 "[ . 1]" 1 2342 2 112 THR HB 2 113 ASP H . . 5.500 3.537 2.718 3.978 . 0 0 "[ . 1]" 1 2343 2 112 THR HB 2 114 TYR QD . . 6.000 4.034 3.231 4.361 . 0 0 "[ . 1]" 1 2344 2 112 THR HB 2 114 TYR QE . . 3.300 2.833 2.192 3.250 . 0 0 "[ . 1]" 1 2345 2 112 THR MG 2 113 ASP H . . 3.400 2.618 2.311 3.195 . 0 0 "[ . 1]" 1 2346 2 112 THR MG 2 113 ASP HA . . 5.500 4.407 3.729 5.200 . 0 0 "[ . 1]" 1 2347 2 112 THR MG 2 114 TYR H . . 5.500 5.139 4.445 6.048 0.548 4 2 "[ +. - 1]" 1 2348 2 112 THR MG 2 114 TYR QD . . 6.500 3.937 3.431 4.395 . 0 0 "[ . 1]" 1 2349 2 112 THR MG 2 114 TYR QE . . 3.800 2.980 2.544 3.458 . 0 0 "[ . 1]" 1 2350 2 113 ASP H 2 114 TYR H . . 5.500 4.325 4.109 4.418 . 0 0 "[ . 1]" 1 2351 2 113 ASP HA 2 114 TYR H . . 2.800 2.112 2.083 2.140 . 0 0 "[ . 1]" 1 2352 2 113 ASP HA 2 114 TYR QD . . 6.000 3.901 3.244 4.407 . 0 0 "[ . 1]" 1 2353 2 113 ASP HB2 2 114 TYR H . . 5.500 3.245 2.940 4.166 . 0 0 "[ . 1]" 1 2354 2 114 TYR H 2 114 TYR QD . . 5.500 3.229 2.788 3.662 . 0 0 "[ . 1]" 1 2355 2 114 TYR H 2 116 VAL MG1 . . 5.500 5.214 5.088 5.443 . 0 0 "[ . 1]" 1 2356 2 114 TYR HA 2 115 MET H . . 2.800 2.131 2.092 2.187 . 0 0 "[ . 1]" 1 2357 2 114 TYR HB2 2 115 MET H . . 5.500 4.280 3.988 4.445 . 0 0 "[ . 1]" 1 2358 2 114 TYR HB3 2 115 MET H . . 5.500 3.468 3.152 3.835 . 0 0 "[ . 1]" 1 2359 2 114 TYR HB3 2 116 VAL MG1 . . 5.500 4.449 4.112 5.096 . 0 0 "[ . 1]" 1 2360 2 114 TYR HB3 2 128 PHE QE . . 5.000 2.698 2.295 3.697 . 0 0 "[ . 1]" 1 2361 2 114 TYR HB3 2 128 PHE HZ . . 5.000 2.559 2.282 3.255 . 0 0 "[ . 1]" 1 2362 2 114 TYR QD 2 115 MET H . . 5.500 4.233 3.909 4.574 . 0 0 "[ . 1]" 1 2363 2 114 TYR QD 2 130 THR MG . . 5.500 2.879 2.519 3.093 . 0 0 "[ . 1]" 1 2364 2 114 TYR QE 2 130 THR HA . . 5.000 4.583 4.315 4.781 . 0 0 "[ . 1]" 1 2365 2 114 TYR QE 2 130 THR HB . . 5.000 3.693 2.925 3.951 . 0 0 "[ . 1]" 1 2366 2 114 TYR QE 2 130 THR MG . . 3.800 3.052 2.499 3.611 . 0 0 "[ . 1]" 1 2367 2 114 TYR QE 2 131 PRO HD2 . . 5.000 2.881 2.589 3.348 . 0 0 "[ . 1]" 1 2368 2 114 TYR QE 2 131 PRO HD3 . . 5.000 3.699 2.910 4.452 . 0 0 "[ . 1]" 1 2369 2 114 TYR QE 2 131 PRO QG . . 5.000 2.905 2.317 3.891 . 0 0 "[ . 1]" 1 2370 2 115 MET H 2 115 MET HB2 . . 3.400 2.914 2.416 3.654 0.254 3 0 "[ . 1]" 1 2371 2 115 MET H 2 115 MET HG2 . . 3.400 3.380 2.367 3.839 0.439 8 0 "[ . 1]" 1 2372 2 115 MET H 2 116 VAL H . . 5.500 4.572 4.517 4.640 . 0 0 "[ . 1]" 1 2373 2 115 MET HA 2 116 VAL H . . 2.800 2.152 2.113 2.193 . 0 0 "[ . 1]" 1 2374 2 115 MET HA 2 116 VAL MG1 . . 5.500 3.935 3.823 4.023 . 0 0 "[ . 1]" 1 2375 2 115 MET HA 2 116 VAL MG2 . . 3.800 3.752 3.647 3.929 0.129 4 0 "[ . 1]" 1 2376 2 115 MET HA 2 117 GLY H . . 5.500 3.823 3.613 3.961 . 0 0 "[ . 1]" 1 2377 2 115 MET HB2 2 115 MET ME . . 3.400 2.815 2.175 3.566 0.166 7 0 "[ . 1]" 1 2378 2 115 MET HB2 2 116 VAL H . . 5.500 3.907 3.063 4.357 . 0 0 "[ . 1]" 1 2379 2 115 MET HB2 2 117 GLY H . . 5.500 4.457 3.469 5.096 . 0 0 "[ . 1]" 1 2380 2 115 MET HG2 2 117 GLY H . . 5.500 4.990 3.925 5.673 0.173 3 0 "[ . 1]" 1 2381 2 115 MET HG3 2 116 VAL H . . 5.500 4.415 3.034 5.272 . 0 0 "[ . 1]" 1 2382 2 116 VAL H 2 117 GLY H . . 3.400 2.270 2.109 2.415 . 0 0 "[ . 1]" 1 2383 2 116 VAL HA 2 116 VAL MG1 . . 3.200 2.306 2.283 2.342 . 0 0 "[ . 1]" 1 2384 2 116 VAL HA 2 116 VAL MG2 . . 3.200 3.237 3.218 3.260 0.060 8 0 "[ . 1]" 1 2385 2 116 VAL HA 2 117 GLY H . . 5.500 3.561 3.511 3.597 . 0 0 "[ . 1]" 1 2386 2 116 VAL HA 2 128 PHE QD . . 5.000 3.235 2.630 3.796 . 0 0 "[ . 1]" 1 2387 2 116 VAL HA 2 128 PHE QE . . 5.000 3.434 3.072 3.944 . 0 0 "[ . 1]" 1 2388 2 116 VAL HB 2 117 GLY H . . 5.500 3.882 3.704 4.098 . 0 0 "[ . 1]" 1 2389 2 116 VAL MG1 2 116 VAL MG2 . . 2.800 2.041 2.019 2.055 . 0 0 "[ . 1]" 1 2390 2 116 VAL MG1 2 117 GLY H . . 5.500 4.161 4.030 4.264 . 0 0 "[ . 1]" 1 2391 2 116 VAL MG1 2 119 TYR QD . . 5.500 5.425 5.232 5.713 0.213 8 0 "[ . 1]" 1 2392 2 116 VAL MG1 2 119 TYR QE . . 3.800 3.896 3.758 4.049 0.249 4 0 "[ . 1]" 1 2393 2 116 VAL MG1 2 128 PHE HA . . 5.500 4.376 4.048 4.636 . 0 0 "[ . 1]" 1 2394 2 116 VAL MG1 2 128 PHE QB . . 3.800 2.343 2.120 2.643 . 0 0 "[ . 1]" 1 2395 2 116 VAL MG1 2 151 PHE HZ . . 3.800 2.452 2.208 2.751 . 0 0 "[ . 1]" 1 2396 2 116 VAL MG2 2 117 GLY H . . 5.500 2.319 2.101 2.566 . 0 0 "[ . 1]" 1 2397 2 116 VAL MG2 2 128 PHE QD . . 5.000 4.846 4.703 4.927 . 0 0 "[ . 1]" 1 2398 2 116 VAL MG2 2 128 PHE QE . . 5.500 5.449 5.125 5.698 0.198 4 0 "[ . 1]" 1 2399 2 116 VAL MG2 2 151 PHE QE . . 3.800 2.116 2.033 2.189 . 0 0 "[ . 1]" 1 2400 2 116 VAL MG2 2 151 PHE HZ . . 5.500 3.276 2.993 3.702 . 0 0 "[ . 1]" 1 2401 2 117 GLY QA 2 119 TYR QE . . 3.300 3.705 3.586 3.869 0.569 8 1 "[ . + 1]" 1 2402 2 117 GLY HA2 2 118 SER H . . 3.400 3.142 2.969 3.272 . 0 0 "[ . 1]" 1 2403 2 117 GLY HA3 2 118 SER H . . 3.400 2.161 2.141 2.215 . 0 0 "[ . 1]" 1 2404 2 118 SER HA 2 119 TYR QD . . 6.000 3.417 3.138 4.303 . 0 0 "[ . 1]" 1 2405 2 118 SER HA 2 119 TYR QE . . 5.000 4.585 4.429 5.042 0.042 8 0 "[ . 1]" 1 2406 2 119 TYR HA 2 119 TYR HB3 . . 2.800 2.466 2.379 2.497 . 0 0 "[ . 1]" 1 2407 2 119 TYR HA 2 120 GLY H . . 3.400 2.264 2.207 2.407 . 0 0 "[ . 1]" 1 2408 2 119 TYR HB2 2 120 GLY H . . 5.500 3.862 3.366 4.020 . 0 0 "[ . 1]" 1 2409 2 119 TYR HB3 2 120 GLY H . . 5.500 2.791 2.436 2.921 . 0 0 "[ . 1]" 1 2410 2 119 TYR HB3 2 126 TYR QE . . 5.000 2.826 2.558 3.134 . 0 0 "[ . 1]" 1 2411 2 119 TYR QD 2 126 TYR QB . . 6.000 3.515 3.353 3.919 . 0 0 "[ . 1]" 1 2412 2 119 TYR QD 2 126 TYR QD . . 5.000 3.256 3.120 3.753 . 0 0 "[ . 1]" 1 2413 2 119 TYR QD 2 126 TYR QE . . 5.000 3.218 3.071 3.978 . 0 0 "[ . 1]" 1 2414 2 119 TYR QE 2 126 TYR HA . . 6.000 5.130 4.757 5.973 . 0 0 "[ . 1]" 1 2415 2 119 TYR QE 2 126 TYR QB . . 5.000 2.996 2.658 3.685 . 0 0 "[ . 1]" 1 2416 2 119 TYR QE 2 126 TYR QE . . 6.000 4.172 3.862 4.983 . 0 0 "[ . 1]" 1 2417 2 120 GLY QA 2 121 PRO QD . . 5.000 2.073 2.056 2.084 . 0 0 "[ . 1]" 1 2418 2 121 PRO HA 2 122 ARG H . . 3.400 2.383 2.133 2.645 . 0 0 "[ . 1]" 1 2419 2 121 PRO HA 2 126 TYR QE . . 5.000 5.090 4.884 5.434 0.434 8 0 "[ . 1]" 1 2420 2 121 PRO HB2 2 122 ARG H . . 5.500 4.253 3.972 4.487 . 0 0 "[ . 1]" 1 2421 2 121 PRO HB3 2 122 ARG H . . 5.500 4.451 4.241 4.625 . 0 0 "[ . 1]" 1 2422 2 122 ARG HA 2 123 ALA H . . 3.400 2.203 2.172 2.227 . 0 0 "[ . 1]" 1 2423 2 122 ARG HB2 2 123 ALA H . . 5.500 4.373 4.116 4.514 . 0 0 "[ . 1]" 1 2424 2 122 ARG HG2 2 123 ALA H . . 5.500 4.264 3.928 4.718 . 0 0 "[ . 1]" 1 2425 2 123 ALA H 2 124 GLU H . . 3.400 2.739 2.617 2.849 . 0 0 "[ . 1]" 1 2426 2 123 ALA HA 2 124 GLU H . . 5.500 3.436 3.381 3.515 . 0 0 "[ . 1]" 1 2427 2 123 ALA MB 2 124 GLU H . . 5.500 3.042 2.837 3.198 . 0 0 "[ . 1]" 1 2428 2 123 ALA MB 2 124 GLU QG . . 6.500 4.203 3.123 5.316 . 0 0 "[ . 1]" 1 2429 2 124 GLU H 2 124 GLU HG2 . . 5.500 3.914 2.549 4.705 . 0 0 "[ . 1]" 1 2430 2 124 GLU H 2 124 GLU HG3 . . 5.500 3.602 2.189 4.541 . 0 0 "[ . 1]" 1 2431 2 124 GLU H 2 125 GLU H . . 5.500 4.468 4.384 4.612 . 0 0 "[ . 1]" 1 2432 2 124 GLU HA 2 125 GLU H . . 2.800 2.647 2.427 2.773 . 0 0 "[ . 1]" 1 2433 2 124 GLU HG2 2 125 GLU H . . 5.500 3.471 1.819 4.722 . 0 0 "[ . 1]" 1 2434 2 125 GLU HA 2 126 TYR H . . 2.800 2.174 2.143 2.223 . 0 0 "[ . 1]" 1 2435 2 125 GLU HG2 2 126 TYR H . . 5.500 5.051 4.524 5.274 . 0 0 "[ . 1]" 1 2436 2 126 TYR H 2 127 GLU H . . 5.500 4.527 4.468 4.574 . 0 0 "[ . 1]" 1 2437 2 126 TYR HA 2 127 GLU H . . 2.800 2.332 2.193 2.443 . 0 0 "[ . 1]" 1 2438 2 126 TYR HB2 2 127 GLU H . . 5.500 3.750 3.578 4.092 . 0 0 "[ . 1]" 1 2439 2 127 GLU H 2 127 GLU HG2 . . 5.500 3.414 2.537 4.751 . 0 0 "[ . 1]" 1 2440 2 127 GLU HA 2 128 PHE H . . 2.800 2.237 2.152 2.378 . 0 0 "[ . 1]" 1 2441 2 127 GLU HB3 2 128 PHE H . . 5.500 3.531 3.024 3.877 . 0 0 "[ . 1]" 1 2442 2 128 PHE HA 2 129 LEU H . . 2.800 2.139 2.080 2.208 . 0 0 "[ . 1]" 1 2443 2 128 PHE HA 2 129 LEU MD2 . . 6.500 5.635 5.141 5.779 . 0 0 "[ . 1]" 1 2444 2 128 PHE QD 2 129 LEU H . . 5.500 3.299 2.677 3.584 . 0 0 "[ . 1]" 1 2445 2 128 PHE QD 2 130 THR MG . . 3.800 3.214 2.714 3.797 . 0 0 "[ . 1]" 1 2446 2 128 PHE QE 2 130 THR MG . . 3.800 2.398 2.264 2.613 . 0 0 "[ . 1]" 1 2447 2 128 PHE HZ 2 130 THR MG . . 3.800 3.883 3.546 4.265 0.465 4 0 "[ . 1]" 1 2448 2 129 LEU H 2 129 LEU MD1 . . 5.500 4.147 2.388 4.504 . 0 0 "[ . 1]" 1 2449 2 129 LEU H 2 129 LEU HG . . 5.500 4.098 2.543 4.649 . 0 0 "[ . 1]" 1 2450 2 129 LEU HA 2 129 LEU MD1 . . 3.800 3.676 2.827 3.850 0.050 4 0 "[ . 1]" 1 2451 2 129 LEU HA 2 130 THR H . . 2.800 2.186 2.114 2.231 . 0 0 "[ . 1]" 1 2452 2 129 LEU HB2 2 130 THR H . . 5.500 4.395 2.892 4.635 . 0 0 "[ . 1]" 1 2453 2 129 LEU MD1 2 130 THR H . . 5.500 4.342 2.971 4.732 . 0 0 "[ . 1]" 1 2454 2 129 LEU HG 2 130 THR H . . 5.500 4.706 4.429 5.307 . 0 0 "[ . 1]" 1 2455 2 130 THR H 2 130 THR MG . . 3.400 2.506 2.189 2.822 . 0 0 "[ . 1]" 1 2456 2 130 THR HA 2 130 THR MG . . 3.200 2.301 2.230 2.559 . 0 0 "[ . 1]" 1 2457 2 130 THR HA 2 131 PRO HD2 . . 3.300 2.462 2.403 2.513 . 0 0 "[ . 1]" 1 2458 2 130 THR HA 2 131 PRO HD3 . . 3.300 2.637 2.551 2.706 . 0 0 "[ . 1]" 1 2459 2 130 THR MG 2 131 PRO QD . . 3.800 2.815 2.569 3.439 . 0 0 "[ . 1]" 1 2460 2 131 PRO HA 2 132 VAL H . . 2.800 2.513 2.258 2.746 . 0 0 "[ . 1]" 1 2461 2 131 PRO HB2 2 132 VAL H . . 5.500 2.412 2.032 3.060 . 0 0 "[ . 1]" 1 2462 2 131 PRO HG2 2 132 VAL H . . 5.500 4.190 3.863 4.729 . 0 0 "[ . 1]" 1 2463 2 132 VAL HA 2 133 GLU H . . 2.800 2.188 2.159 2.229 . 0 0 "[ . 1]" 1 2464 2 132 VAL HB 2 133 GLU H . . 5.500 4.089 3.173 4.329 . 0 0 "[ . 1]" 1 2465 2 133 GLU H 2 133 GLU HG2 . . 5.500 4.411 3.530 4.779 . 0 0 "[ . 1]" 1 2466 2 133 GLU H 2 134 GLU H . . 5.500 4.356 4.255 4.448 . 0 0 "[ . 1]" 1 2467 2 133 GLU HA 2 134 GLU H . . 2.800 2.144 2.087 2.224 . 0 0 "[ . 1]" 1 2468 2 133 GLU HB2 2 134 GLU H . . 5.500 4.344 3.930 4.537 . 0 0 "[ . 1]" 1 2469 2 133 GLU HB3 2 134 GLU H . . 5.500 3.360 2.730 3.867 . 0 0 "[ . 1]" 1 2470 2 133 GLU HG3 2 134 GLU H . . 5.500 4.565 3.894 5.460 . 0 0 "[ . 1]" 1 2471 2 134 GLU H 2 134 GLU HG2 . . 3.400 2.379 2.185 3.186 . 0 0 "[ . 1]" 1 2472 2 134 GLU HA 2 135 ALA MB . . 3.800 3.900 3.847 3.987 0.187 4 0 "[ . 1]" 1 2473 2 135 ALA HA 2 136 PRO HD2 . . 3.300 2.467 2.394 2.535 . 0 0 "[ . 1]" 1 2474 2 135 ALA HA 2 136 PRO HD3 . . 3.300 2.441 2.380 2.473 . 0 0 "[ . 1]" 1 2475 2 135 ALA HA 2 168 ILE MD . . 5.500 3.843 3.579 4.512 . 0 0 "[ . 1]" 1 2476 2 135 ALA MB 2 136 PRO HA . . 5.000 4.480 4.438 4.516 . 0 0 "[ . 1]" 1 2477 2 135 ALA MB 2 136 PRO QD . . 3.200 2.141 2.125 2.165 . 0 0 "[ . 1]" 1 2478 2 135 ALA MB 2 168 ILE MD . . 3.700 2.308 2.176 2.804 . 0 0 "[ . 1]" 1 2479 2 136 PRO HA 2 137 LYS H . . 2.800 2.507 2.333 2.564 . 0 0 "[ . 1]" 1 2480 2 136 PRO HB2 2 137 LYS H . . 3.400 2.515 2.372 2.830 . 0 0 "[ . 1]" 1 2481 2 136 PRO HB3 2 137 LYS H . . 5.500 3.502 3.376 3.590 . 0 0 "[ . 1]" 1 2482 2 136 PRO HD2 2 168 ILE MD . . 3.800 2.614 2.270 3.441 . 0 0 "[ . 1]" 1 2483 2 136 PRO HD2 2 168 ILE QG . . 5.000 2.601 2.213 3.235 . 0 0 "[ . 1]" 1 2484 2 136 PRO HD3 2 168 ILE MD . . 5.500 3.873 3.531 4.787 . 0 0 "[ . 1]" 1 2485 2 136 PRO HD3 2 168 ILE QG . . 5.000 3.879 3.472 4.698 . 0 0 "[ . 1]" 1 2486 2 136 PRO QG 2 168 ILE MD . . 6.500 3.371 2.928 3.956 . 0 0 "[ . 1]" 1 2487 2 136 PRO HG2 2 137 LYS H . . 5.500 4.257 4.098 4.550 . 0 0 "[ . 1]" 1 2488 2 136 PRO HG3 2 137 LYS H . . 5.500 5.041 4.937 5.272 . 0 0 "[ . 1]" 1 2489 2 137 LYS H 2 137 LYS HD2 . . 5.500 4.595 3.090 5.392 . 0 0 "[ . 1]" 1 2490 2 137 LYS H 2 137 LYS HG2 . . 5.500 3.675 2.383 4.871 . 0 0 "[ . 1]" 1 2491 2 137 LYS H 2 137 LYS HG3 . . 5.500 3.868 2.516 4.682 . 0 0 "[ . 1]" 1 2492 2 137 LYS H 2 138 GLY H . . 5.500 4.442 4.393 4.521 . 0 0 "[ . 1]" 1 2493 2 137 LYS H 2 141 ALA MB . . 5.500 3.123 2.917 3.481 . 0 0 "[ . 1]" 1 2494 2 137 LYS HA 2 138 GLY H . . 3.400 2.251 2.182 2.316 . 0 0 "[ . 1]" 1 2495 2 137 LYS HA 2 141 ALA MB . . 3.800 3.664 3.462 3.815 0.015 10 0 "[ . 1]" 1 2496 2 137 LYS HA 2 168 ILE MG . . 5.500 3.820 3.493 4.332 . 0 0 "[ . 1]" 1 2497 2 137 LYS HB3 2 138 GLY H . . 5.500 3.456 2.499 4.028 . 0 0 "[ . 1]" 1 2498 2 138 GLY H 2 139 MET H . . 5.500 4.098 3.944 4.256 . 0 0 "[ . 1]" 1 2499 2 138 GLY HA2 2 139 MET H . . 5.500 2.297 2.244 2.340 . 0 0 "[ . 1]" 1 2500 2 138 GLY HA3 2 139 MET H . . 5.500 3.035 2.948 3.111 . 0 0 "[ . 1]" 1 2501 2 139 MET H 2 139 MET HB2 . . 3.400 2.244 2.193 2.320 . 0 0 "[ . 1]" 1 2502 2 139 MET HA 2 140 LEU H . . 5.500 3.517 3.492 3.544 . 0 0 "[ . 1]" 1 2503 2 139 MET HA 2 142 ARG HD2 . . 5.000 3.991 3.688 4.454 . 0 0 "[ . 1]" 1 2504 2 139 MET HA 2 142 ARG HD3 . . 3.400 2.500 2.080 3.301 . 0 0 "[ . 1]" 1 2505 2 139 MET HB3 2 140 LEU H . . 3.400 2.994 2.892 3.096 . 0 0 "[ . 1]" 1 2506 2 139 MET ME 2 140 LEU MD1 . . 5.500 4.906 4.453 5.455 . 0 0 "[ . 1]" 1 2507 2 139 MET ME 2 140 LEU MD2 . . 5.500 3.818 3.146 4.847 . 0 0 "[ . 1]" 1 2508 2 139 MET ME 2 140 LEU HG . . 5.500 5.142 4.205 5.724 0.224 9 0 "[ . 1]" 1 2509 2 139 MET QG 2 140 LEU MD1 . . 6.500 6.505 6.411 6.584 0.084 9 0 "[ . 1]" 1 2510 2 139 MET HG2 2 140 LEU H . . 5.500 4.630 4.519 4.761 . 0 0 "[ . 1]" 1 2511 2 140 LEU H 2 140 LEU HA . . 2.800 2.888 2.860 2.922 0.122 3 0 "[ . 1]" 1 2512 2 140 LEU H 2 140 LEU MD1 . . 5.500 4.194 3.866 4.373 . 0 0 "[ . 1]" 1 2513 2 140 LEU H 2 140 LEU MD2 . . 5.500 3.822 3.486 4.279 . 0 0 "[ . 1]" 1 2514 2 140 LEU H 2 141 ALA H . . 3.400 2.607 2.494 2.692 . 0 0 "[ . 1]" 1 2515 2 140 LEU H 2 141 ALA MB . . 5.500 4.289 4.178 4.388 . 0 0 "[ . 1]" 1 2516 2 140 LEU HA 2 140 LEU MD1 . . 3.800 3.026 2.469 3.809 0.009 10 0 "[ . 1]" 1 2517 2 140 LEU HA 2 140 LEU MD2 . . 3.200 2.122 2.108 2.136 . 0 0 "[ . 1]" 1 2518 2 140 LEU MD1 2 141 ALA HA . . 5.500 4.872 4.124 5.850 0.350 3 0 "[ . 1]" 1 2519 2 140 LEU MD2 2 141 ALA HA . . 5.500 5.473 4.792 5.914 0.414 6 0 "[ . 1]" 1 2520 2 141 ALA H 2 142 ARG H . . 5.500 2.517 2.286 2.675 . 0 0 "[ . 1]" 1 2521 2 141 ALA MB 2 142 ARG H . . 5.500 3.413 3.273 3.491 . 0 0 "[ . 1]" 1 2522 2 141 ALA MB 2 145 TYR QE . . 5.500 3.628 3.356 3.855 . 0 0 "[ . 1]" 1 2523 2 142 ARG HA 2 142 ARG QD . . 5.000 4.050 3.811 4.267 . 0 0 "[ . 1]" 1 2524 2 142 ARG HA 2 143 GLY H . . 5.500 3.227 3.026 3.367 . 0 0 "[ . 1]" 1 2525 2 142 ARG HA 2 145 TYR QE . . 6.000 4.133 3.839 4.331 . 0 0 "[ . 1]" 1 2526 2 142 ARG HA 2 168 ILE MG . . 3.800 3.078 2.686 3.415 . 0 0 "[ . 1]" 1 2527 2 142 ARG HB2 2 143 GLY QA . . 5.000 4.742 4.436 5.282 0.282 10 0 "[ . 1]" 1 2528 2 142 ARG HB3 2 143 GLY QA . . 5.000 4.670 4.492 5.152 0.152 10 0 "[ . 1]" 1 2529 2 142 ARG QD 2 169 LYS HA . . 5.000 3.188 2.618 3.789 . 0 0 "[ . 1]" 1 2530 2 142 ARG QD 2 170 LYS HA . . 5.000 3.044 2.672 4.079 . 0 0 "[ . 1]" 1 2531 2 142 ARG HD2 2 169 LYS HA . . 5.000 3.269 2.641 3.960 . 0 0 "[ . 1]" 1 2532 2 142 ARG HD3 2 169 LYS HA . . 5.000 4.577 4.303 4.883 . 0 0 "[ . 1]" 1 2533 2 142 ARG QG 2 170 LYS HA . . 5.000 4.177 3.684 5.389 0.389 10 0 "[ . 1]" 1 2534 2 143 GLY H 2 167 THR MG . . 5.500 5.351 5.033 5.530 0.030 3 0 "[ . 1]" 1 2535 2 143 GLY H 2 168 ILE H . . 5.500 4.960 4.813 5.149 . 0 0 "[ . 1]" 1 2536 2 143 GLY QA 2 167 THR MG . . 5.500 3.847 3.635 4.024 . 0 0 "[ . 1]" 1 2537 2 143 GLY HA2 2 144 SER H . . 3.400 2.543 2.357 2.693 . 0 0 "[ . 1]" 1 2538 2 143 GLY HA3 2 144 SER H . . 5.500 2.568 2.421 2.821 . 0 0 "[ . 1]" 1 2539 2 144 SER H 2 144 SER HB2 . . 3.400 3.270 2.825 3.498 0.098 8 0 "[ . 1]" 1 2540 2 144 SER HA 2 144 SER HB2 . . 2.800 2.819 2.694 3.004 0.204 1 0 "[ . 1]" 1 2541 2 144 SER HA 2 144 SER HB3 . . 2.800 2.224 2.188 2.287 . 0 0 "[ . 1]" 1 2542 2 144 SER HA 2 145 TYR H . . 2.800 2.129 2.088 2.218 . 0 0 "[ . 1]" 1 2543 2 144 SER HA 2 145 TYR QD . . 5.000 3.313 3.126 3.549 . 0 0 "[ . 1]" 1 2544 2 144 SER HA 2 167 THR HA . . 2.800 2.440 2.257 2.795 . 0 0 "[ . 1]" 1 2545 2 144 SER HA 2 167 THR MG . . 3.800 3.783 3.354 4.050 0.250 1 0 "[ . 1]" 1 2546 2 144 SER HA 2 168 ILE QG . . 6.000 4.590 4.452 4.731 . 0 0 "[ . 1]" 1 2547 2 144 SER HB2 2 165 ASN HB2 . . 5.000 4.295 3.921 4.763 . 0 0 "[ . 1]" 1 2548 2 144 SER HB2 2 165 ASN HB3 . . 5.000 2.858 2.566 3.262 . 0 0 "[ . 1]" 1 2549 2 144 SER HB2 2 167 THR HA . . 5.000 4.963 4.653 5.571 0.571 1 1 "[+ . 1]" 1 2550 2 144 SER HB2 2 167 THR MG . . 6.500 5.393 4.944 5.908 . 0 0 "[ . 1]" 1 2551 2 144 SER HB3 2 145 TYR H . . 3.400 3.722 3.603 3.850 0.450 8 0 "[ . 1]" 1 2552 2 144 SER HB3 2 165 ASN HB2 . . 5.000 4.148 3.568 4.538 . 0 0 "[ . 1]" 1 2553 2 144 SER HB3 2 165 ASN HB3 . . 5.000 2.907 2.207 3.258 . 0 0 "[ . 1]" 1 2554 2 144 SER HB3 2 167 THR MG . . 5.500 4.135 3.597 5.038 . 0 0 "[ . 1]" 1 2555 2 145 TYR H 2 145 TYR QD . . 5.500 2.211 2.013 2.457 . 0 0 "[ . 1]" 1 2556 2 145 TYR H 2 166 LEU H . . 5.500 2.649 2.487 2.845 . 0 0 "[ . 1]" 1 2557 2 145 TYR HA 2 146 SER H . . 2.800 2.234 2.189 2.287 . 0 0 "[ . 1]" 1 2558 2 145 TYR HB2 2 147 ILE MD . . 3.800 2.867 2.592 3.168 . 0 0 "[ . 1]" 1 2559 2 145 TYR HB2 2 166 LEU MD2 . . 3.800 3.279 2.686 3.629 . 0 0 "[ . 1]" 1 2560 2 145 TYR HB2 2 166 LEU HG . . 5.500 3.885 3.545 4.282 . 0 0 "[ . 1]" 1 2561 2 145 TYR HB3 2 147 ILE MD . . 3.800 2.968 2.703 3.269 . 0 0 "[ . 1]" 1 2562 2 145 TYR QD 2 166 LEU MD2 . . 5.500 4.229 3.865 4.443 . 0 0 "[ . 1]" 1 2563 2 145 TYR QD 2 168 ILE MD . . 6.500 3.865 3.597 4.083 . 0 0 "[ . 1]" 1 2564 2 145 TYR QD 2 168 ILE HG12 . . 6.000 2.707 2.577 2.876 . 0 0 "[ . 1]" 1 2565 2 145 TYR QD 2 168 ILE HG13 . . 6.000 3.685 3.308 4.103 . 0 0 "[ . 1]" 1 2566 2 145 TYR QE 2 167 THR HA . . 6.000 5.189 4.737 5.610 . 0 0 "[ . 1]" 1 2567 2 145 TYR QE 2 168 ILE HB . . 3.300 3.385 3.185 3.514 0.214 5 0 "[ . 1]" 1 2568 2 145 TYR QE 2 168 ILE MD . . 5.500 4.287 4.115 4.454 . 0 0 "[ . 1]" 1 2569 2 145 TYR QE 2 168 ILE HG12 . . 5.000 3.079 2.800 3.279 . 0 0 "[ . 1]" 1 2570 2 145 TYR QE 2 168 ILE HG13 . . 5.000 3.083 2.751 3.342 . 0 0 "[ . 1]" 1 2571 2 145 TYR QE 2 168 ILE MG . . 5.500 4.276 3.958 4.519 . 0 0 "[ . 1]" 1 2572 2 146 SER H 2 146 SER HB2 . . 3.400 2.722 2.216 3.262 . 0 0 "[ . 1]" 1 2573 2 146 SER H 2 147 ILE H . . 5.500 4.556 4.511 4.618 . 0 0 "[ . 1]" 1 2574 2 146 SER HA 2 147 ILE H . . 2.800 2.181 2.152 2.223 . 0 0 "[ . 1]" 1 2575 2 146 SER HB3 2 147 ILE H . . 5.500 3.689 3.098 4.357 . 0 0 "[ . 1]" 1 2576 2 147 ILE H 2 147 ILE MD . . 5.500 2.892 2.740 3.051 . 0 0 "[ . 1]" 1 2577 2 147 ILE H 2 147 ILE HG12 . . 5.500 4.693 4.594 4.790 . 0 0 "[ . 1]" 1 2578 2 147 ILE H 2 147 ILE HG13 . . 5.500 3.906 3.811 4.012 . 0 0 "[ . 1]" 1 2579 2 147 ILE H 2 164 TRP H . . 5.500 3.023 2.850 3.229 . 0 0 "[ . 1]" 1 2580 2 147 ILE H 2 165 ASN HA . . 5.500 3.079 2.840 3.248 . 0 0 "[ . 1]" 1 2581 2 147 ILE HA 2 147 ILE HG12 . . 3.300 3.453 3.378 3.542 0.242 4 0 "[ . 1]" 1 2582 2 147 ILE HA 2 147 ILE MG . . 3.200 2.525 2.458 2.570 . 0 0 "[ . 1]" 1 2583 2 147 ILE HA 2 148 LYS H . . 3.400 2.093 2.048 2.129 . 0 0 "[ . 1]" 1 2584 2 147 ILE HB 2 164 TRP HE1 . . 5.000 4.001 3.667 4.279 . 0 0 "[ . 1]" 1 2585 2 147 ILE MD 2 148 LYS H . . 5.500 4.987 4.919 5.095 . 0 0 "[ . 1]" 1 2586 2 147 ILE MD 2 164 TRP HE1 . . 5.500 5.223 4.942 5.549 0.049 3 0 "[ . 1]" 1 2587 2 147 ILE MD 2 164 TRP HH2 . . 3.800 3.626 3.353 4.091 0.291 3 0 "[ . 1]" 1 2588 2 147 ILE MD 2 164 TRP HZ2 . . 5.500 4.348 4.060 4.823 . 0 0 "[ . 1]" 1 2589 2 147 ILE MD 2 164 TRP HZ3 . . 5.500 3.154 2.941 3.548 . 0 0 "[ . 1]" 1 2590 2 147 ILE MD 2 165 ASN HA . . 5.500 3.206 2.606 3.813 . 0 0 "[ . 1]" 1 2591 2 147 ILE MD 2 166 LEU HA . . 5.500 4.118 3.822 4.412 . 0 0 "[ . 1]" 1 2592 2 147 ILE MD 2 166 LEU MD1 . . 3.700 3.695 3.530 3.886 0.186 8 0 "[ . 1]" 1 2593 2 147 ILE MD 2 166 LEU MD2 . . 3.700 2.459 2.193 2.852 . 0 0 "[ . 1]" 1 2594 2 147 ILE MD 2 166 LEU HG . . 5.500 4.097 3.903 4.192 . 0 0 "[ . 1]" 1 2595 2 147 ILE HG13 2 166 LEU QB . . 5.000 4.481 4.339 4.765 . 0 0 "[ . 1]" 1 2596 2 147 ILE MG 2 148 LYS H . . 5.500 2.559 2.388 2.704 . 0 0 "[ . 1]" 1 2597 2 147 ILE MG 2 149 SER H . . 5.500 3.818 3.695 3.907 . 0 0 "[ . 1]" 1 2598 2 147 ILE MG 2 163 GLU HA . . 6.500 3.977 3.899 4.130 . 0 0 "[ . 1]" 1 2599 2 147 ILE MG 2 164 TRP H . . 5.500 3.735 3.653 3.837 . 0 0 "[ . 1]" 1 2600 2 147 ILE MG 2 164 TRP HD1 . . 6.500 3.634 3.569 3.739 . 0 0 "[ . 1]" 1 2601 2 147 ILE MG 2 164 TRP HE1 . . 3.400 2.494 2.342 2.641 . 0 0 "[ . 1]" 1 2602 2 147 ILE MG 2 164 TRP HZ2 . . 3.200 2.537 2.428 2.619 . 0 0 "[ . 1]" 1 2603 2 148 LYS HA 2 149 SER H . . 2.800 2.155 2.111 2.200 . 0 0 "[ . 1]" 1 2604 2 148 LYS HA 2 163 GLU HA . . 3.300 2.600 2.384 2.969 . 0 0 "[ . 1]" 1 2605 2 149 SER H 2 162 TRP H . . 5.500 3.382 3.234 3.555 . 0 0 "[ . 1]" 1 2606 2 149 SER H 2 163 GLU HA . . 5.500 2.899 2.779 3.106 . 0 0 "[ . 1]" 1 2607 2 149 SER H 2 163 GLU HG2 . . 5.500 4.459 2.942 5.559 0.059 7 0 "[ . 1]" 1 2608 2 149 SER H 2 164 TRP H . . 5.500 4.747 4.628 4.818 . 0 0 "[ . 1]" 1 2609 2 149 SER HA 2 150 ARG H . . 2.800 2.176 2.095 2.236 . 0 0 "[ . 1]" 1 2610 2 150 ARG H 2 150 ARG HG2 . . 5.500 4.660 4.565 4.718 . 0 0 "[ . 1]" 1 2611 2 150 ARG H 2 151 PHE H . . 5.500 4.381 4.303 4.446 . 0 0 "[ . 1]" 1 2612 2 150 ARG HA 2 151 PHE H . . 2.800 2.160 2.077 2.215 . 0 0 "[ . 1]" 1 2613 2 150 ARG HA 2 161 SER HA . . 2.800 2.447 2.355 2.542 . 0 0 "[ . 1]" 1 2614 2 150 ARG HA 2 161 SER QB . . 5.000 2.316 2.246 2.379 . 0 0 "[ . 1]" 1 2615 2 150 ARG HA 2 162 TRP H . . 5.500 3.625 3.452 3.710 . 0 0 "[ . 1]" 1 2616 2 150 ARG QB 2 161 SER HA . . 5.000 4.330 3.855 4.627 . 0 0 "[ . 1]" 1 2617 2 150 ARG HB2 2 151 PHE H . . 5.500 4.318 4.131 4.454 . 0 0 "[ . 1]" 1 2618 2 150 ARG QD 2 158 ASP HA . . 5.000 4.606 3.548 5.222 0.222 10 0 "[ . 1]" 1 2619 2 150 ARG HG2 2 151 PHE H . . 5.500 2.572 2.395 2.773 . 0 0 "[ . 1]" 1 2620 2 151 PHE H 2 159 HIS H . . 5.500 4.442 4.200 4.886 . 0 0 "[ . 1]" 1 2621 2 151 PHE H 2 160 LEU H . . 5.500 3.484 3.335 3.779 . 0 0 "[ . 1]" 1 2622 2 151 PHE H 2 161 SER HA . . 5.500 3.248 3.083 3.369 . 0 0 "[ . 1]" 1 2623 2 151 PHE HA 2 152 THR H . . 2.800 2.080 2.043 2.109 . 0 0 "[ . 1]" 1 2624 2 151 PHE HA 2 152 THR MG . . 5.500 3.801 3.625 3.921 . 0 0 "[ . 1]" 1 2625 2 151 PHE QB 2 162 TRP HE3 . . 5.000 4.797 4.532 5.107 0.107 4 0 "[ . 1]" 1 2626 2 151 PHE QB 2 162 TRP HZ3 . . 5.000 3.704 3.290 4.031 . 0 0 "[ . 1]" 1 2627 2 151 PHE HB3 2 160 LEU H . . 5.500 3.121 2.967 3.340 . 0 0 "[ . 1]" 1 2628 2 152 THR HA 2 152 THR HB . . 2.800 2.465 2.388 2.494 . 0 0 "[ . 1]" 1 2629 2 152 THR HA 2 153 ASP H . . 3.400 2.521 2.446 2.572 . 0 0 "[ . 1]" 1 2630 2 152 THR HA 2 153 ASP QB . . 5.000 3.940 3.672 4.148 . 0 0 "[ . 1]" 1 2631 2 152 THR HA 2 158 ASP HA . . 5.000 2.534 2.335 2.762 . 0 0 "[ . 1]" 1 2632 2 152 THR HA 2 159 HIS QB . . 5.000 4.585 4.065 4.896 . 0 0 "[ . 1]" 1 2633 2 152 THR HA 2 159 HIS HD2 . . 3.300 3.301 2.665 3.784 0.484 3 0 "[ . 1]" 1 2634 2 152 THR HB 2 153 ASP H . . 5.500 3.563 2.242 3.763 . 0 0 "[ . 1]" 1 2635 2 152 THR HB 2 158 ASP HA . . 3.300 3.337 3.171 3.728 0.428 7 0 "[ . 1]" 1 2636 2 152 THR MG 2 153 ASP H . . 5.000 3.114 2.849 3.747 . 0 0 "[ . 1]" 1 2637 2 152 THR MG 2 153 ASP HA . . 5.500 4.049 3.736 5.624 0.124 7 0 "[ . 1]" 1 2638 2 152 THR MG 2 158 ASP HA . . 5.500 4.469 2.277 4.816 . 0 0 "[ . 1]" 1 2639 2 153 ASP H 2 155 ASP H . . 5.500 4.509 4.223 4.697 . 0 0 "[ . 1]" 1 2640 2 153 ASP H 2 156 LYS H . . 5.500 3.562 3.468 3.653 . 0 0 "[ . 1]" 1 2641 2 153 ASP H 2 156 LYS HA . . 5.500 3.414 3.157 3.612 . 0 0 "[ . 1]" 1 2642 2 153 ASP H 2 157 THR H . . 3.400 3.157 2.964 3.327 . 0 0 "[ . 1]" 1 2643 2 154 ASP HA 2 154 ASP HB2 . . 2.800 2.846 2.455 2.981 0.181 1 0 "[ . 1]" 1 2644 2 154 ASP HA 2 154 ASP HB3 . . 2.800 2.729 2.338 2.866 0.066 2 0 "[ . 1]" 1 2645 2 154 ASP HA 2 155 ASP H . . 5.500 3.478 3.401 3.531 . 0 0 "[ . 1]" 1 2646 2 154 ASP HB2 2 155 ASP H . . 3.400 3.510 3.323 3.784 0.384 6 0 "[ . 1]" 1 2647 2 154 ASP HB3 2 155 ASP H . . 5.500 3.602 3.296 4.150 . 0 0 "[ . 1]" 1 2648 2 155 ASP H 2 156 LYS H . . 2.800 2.737 2.468 2.936 0.136 6 0 "[ . 1]" 1 2649 2 155 ASP H 2 156 LYS HA . . 5.500 4.879 4.681 5.036 . 0 0 "[ . 1]" 1 2650 2 155 ASP HA 2 155 ASP QB . . 2.800 2.487 2.357 2.579 . 0 0 "[ . 1]" 1 2651 2 155 ASP HA 2 156 LYS H . . 5.500 3.232 3.189 3.326 . 0 0 "[ . 1]" 1 2652 2 155 ASP HB2 2 156 LYS H . . 5.500 3.993 3.745 4.291 . 0 0 "[ . 1]" 1 2653 2 155 ASP HB3 2 156 LYS H . . 5.500 4.113 3.681 4.414 . 0 0 "[ . 1]" 1 2654 2 156 LYS H 2 156 LYS HA . . 2.800 2.249 2.230 2.268 . 0 0 "[ . 1]" 1 2655 2 156 LYS H 2 157 THR H . . 3.400 2.713 2.620 2.818 . 0 0 "[ . 1]" 1 2656 2 156 LYS HA 2 157 THR H . . 3.400 3.095 3.024 3.188 . 0 0 "[ . 1]" 1 2657 2 157 THR H 2 157 THR HB . . 3.400 2.563 2.460 2.685 . 0 0 "[ . 1]" 1 2658 2 157 THR H 2 158 ASP H . . 5.500 4.352 4.277 4.423 . 0 0 "[ . 1]" 1 2659 2 157 THR HA 2 157 THR HB . . 2.800 3.043 3.038 3.048 0.248 8 0 "[ . 1]" 1 2660 2 157 THR HA 2 157 THR MG . . 3.200 2.366 2.307 2.423 . 0 0 "[ . 1]" 1 2661 2 157 THR HA 2 158 ASP H . . 2.800 2.211 2.167 2.256 . 0 0 "[ . 1]" 1 2662 2 157 THR HA 2 158 ASP QB . . 5.000 4.231 4.065 4.507 . 0 0 "[ . 1]" 1 2663 2 157 THR MG 2 158 ASP H . . 5.000 3.331 3.177 3.484 . 0 0 "[ . 1]" 1 2664 2 157 THR MG 2 159 HIS H . . 5.500 4.269 4.046 4.393 . 0 0 "[ . 1]" 1 2665 2 157 THR MG 2 159 HIS HA . . 3.800 3.655 3.490 3.846 0.046 6 0 "[ . 1]" 1 2666 2 158 ASP H 2 158 ASP HB2 . . 3.400 2.401 2.076 2.715 . 0 0 "[ . 1]" 1 2667 2 158 ASP H 2 159 HIS H . . 5.500 4.495 4.372 4.559 . 0 0 "[ . 1]" 1 2668 2 158 ASP HA 2 159 HIS H . . 2.800 2.179 2.154 2.218 . 0 0 "[ . 1]" 1 2669 2 158 ASP HB2 2 159 HIS H . . 5.500 4.461 4.276 4.632 . 0 0 "[ . 1]" 1 2670 2 158 ASP HB3 2 159 HIS H . . 5.500 3.882 3.480 4.570 . 0 0 "[ . 1]" 1 2671 2 159 HIS H 2 160 LEU H . . 2.800 2.479 2.323 2.558 . 0 0 "[ . 1]" 1 2672 2 159 HIS HA 2 160 LEU H . . 5.500 3.560 3.541 3.576 . 0 0 "[ . 1]" 1 2673 2 159 HIS HB2 2 160 LEU H . . 5.500 2.395 2.204 2.564 . 0 0 "[ . 1]" 1 2674 2 159 HIS HB3 2 160 LEU H . . 5.500 3.414 3.213 3.690 . 0 0 "[ . 1]" 1 2675 2 160 LEU H 2 160 LEU MD1 . . 5.500 4.426 4.288 4.629 . 0 0 "[ . 1]" 1 2676 2 160 LEU H 2 160 LEU MD2 . . 5.500 4.858 4.710 4.936 . 0 0 "[ . 1]" 1 2677 2 160 LEU H 2 161 SER H . . 5.500 4.254 4.169 4.295 . 0 0 "[ . 1]" 1 2678 2 160 LEU HA 2 160 LEU MD1 . . 3.200 2.267 2.116 2.567 . 0 0 "[ . 1]" 1 2679 2 160 LEU HA 2 160 LEU HG . . 3.300 2.679 2.602 2.790 . 0 0 "[ . 1]" 1 2680 2 160 LEU HA 2 161 SER H . . 2.800 2.313 2.249 2.359 . 0 0 "[ . 1]" 1 2681 2 160 LEU QB 2 162 TRP HE3 . . 5.000 3.801 3.577 4.195 . 0 0 "[ . 1]" 1 2682 2 160 LEU QB 2 162 TRP HZ3 . . 5.000 4.198 3.983 4.567 . 0 0 "[ . 1]" 1 2683 2 160 LEU HB2 2 161 SER H . . 5.500 4.196 4.139 4.321 . 0 0 "[ . 1]" 1 2684 2 160 LEU MD1 2 161 SER H . . 3.400 3.233 3.077 3.369 . 0 0 "[ . 1]" 1 2685 2 160 LEU MD2 2 161 SER H . . 5.500 3.819 3.612 4.053 . 0 0 "[ . 1]" 1 2686 2 160 LEU MD2 2 162 TRP HE3 . . 5.500 3.207 2.598 3.726 . 0 0 "[ . 1]" 1 2687 2 160 LEU MD2 2 162 TRP HZ3 . . 6.500 4.227 3.769 4.652 . 0 0 "[ . 1]" 1 2688 2 160 LEU HG 2 161 SER H . . 5.500 2.202 2.060 2.391 . 0 0 "[ . 1]" 1 2689 2 160 LEU HG 2 162 TRP HE3 . . 5.000 4.047 3.820 4.330 . 0 0 "[ . 1]" 1 2690 2 161 SER HA 2 162 TRP H . . 2.800 2.207 2.192 2.221 . 0 0 "[ . 1]" 1 2691 2 161 SER HA 2 162 TRP HE3 . . 3.300 2.708 2.626 2.782 . 0 0 "[ . 1]" 1 2692 2 161 SER HA 2 162 TRP HZ3 . . 5.000 4.082 3.968 4.185 . 0 0 "[ . 1]" 1 2693 2 161 SER HB2 2 162 TRP H . . 3.400 2.834 2.788 2.883 . 0 0 "[ . 1]" 1 2694 2 162 TRP H 2 162 TRP HE1 . . 5.500 6.027 5.967 6.101 0.601 5 7 "[* * +-***1]" 1 2695 2 162 TRP HA 2 162 TRP HB2 . . 2.800 2.316 2.300 2.346 . 0 0 "[ . 1]" 1 2696 2 162 TRP HA 2 162 TRP HB3 . . 2.800 2.572 2.547 2.587 . 0 0 "[ . 1]" 1 2697 2 162 TRP HA 2 162 TRP HD1 . . 5.000 4.373 4.330 4.428 . 0 0 "[ . 1]" 1 2698 2 162 TRP HA 2 163 GLU H . . 5.500 2.562 2.447 2.633 . 0 0 "[ . 1]" 1 2699 2 162 TRP HD1 2 164 TRP QB . . 3.300 3.021 2.892 3.232 . 0 0 "[ . 1]" 1 2700 2 162 TRP HD1 2 164 TRP HD1 . . 3.300 2.837 2.748 2.948 . 0 0 "[ . 1]" 1 2701 2 162 TRP HD1 2 164 TRP HE1 . . 5.000 5.006 4.943 5.123 0.123 5 0 "[ . 1]" 1 2702 2 162 TRP HE1 2 164 TRP HE1 . . 5.000 3.425 3.301 3.581 . 0 0 "[ . 1]" 1 2703 2 162 TRP HZ2 2 164 TRP HE1 . . 3.500 3.581 3.358 3.766 0.266 2 0 "[ . 1]" 1 2704 2 163 GLU HA 2 164 TRP H . . 2.800 2.240 2.164 2.315 . 0 0 "[ . 1]" 1 2705 2 163 GLU HA 2 164 TRP HD1 . . 5.000 2.726 2.511 2.911 . 0 0 "[ . 1]" 1 2706 2 163 GLU HA 2 164 TRP HE1 . . 5.000 4.404 4.241 4.638 . 0 0 "[ . 1]" 1 2707 2 163 GLU HB2 2 164 TRP H . . 3.400 3.087 2.674 3.795 0.395 4 0 "[ . 1]" 1 2708 2 163 GLU HG3 2 164 TRP H . . 5.500 4.638 4.094 5.264 . 0 0 "[ . 1]" 1 2709 2 164 TRP H 2 164 TRP HD1 . . 5.500 2.861 2.729 2.938 . 0 0 "[ . 1]" 1 2710 2 164 TRP HE3 2 166 LEU QB . . 6.000 3.384 3.118 3.860 . 0 0 "[ . 1]" 1 2711 2 164 TRP HE3 2 166 LEU MD2 . . 5.500 4.820 4.496 5.302 . 0 0 "[ . 1]" 1 2712 2 164 TRP HH2 2 166 LEU MD2 . . 3.800 3.495 3.176 3.762 . 0 0 "[ . 1]" 1 2713 2 164 TRP HZ3 2 166 LEU MD2 . . 6.500 3.045 2.670 3.530 . 0 0 "[ . 1]" 1 2714 2 165 ASN HA 2 166 LEU H . . 2.800 2.391 2.366 2.425 . 0 0 "[ . 1]" 1 2715 2 165 ASN HB3 2 166 LEU H . . 5.500 2.507 2.396 2.578 . 0 0 "[ . 1]" 1 2716 2 166 LEU HA 2 166 LEU MD1 . . 3.200 2.195 2.156 2.262 . 0 0 "[ . 1]" 1 2717 2 166 LEU HA 2 166 LEU MD2 . . 3.800 3.891 3.856 3.937 0.137 9 0 "[ . 1]" 1 2718 2 166 LEU HA 2 167 THR H . . 2.800 2.158 2.117 2.235 . 0 0 "[ . 1]" 1 2719 2 166 LEU HA 2 167 THR HB . . 5.000 4.657 4.505 5.046 0.046 9 0 "[ . 1]" 1 2720 2 166 LEU HB2 2 167 THR H . . 5.500 4.409 4.277 4.513 . 0 0 "[ . 1]" 1 2721 2 166 LEU MD1 2 167 THR H . . 5.500 2.714 2.444 2.989 . 0 0 "[ . 1]" 1 2722 2 167 THR H 2 167 THR HB . . 3.400 2.553 2.417 2.855 . 0 0 "[ . 1]" 1 2723 2 167 THR HA 2 168 ILE H . . 2.800 2.113 2.089 2.150 . 0 0 "[ . 1]" 1 2724 2 167 THR MG 2 168 ILE H . . 5.500 2.803 2.573 3.183 . 0 0 "[ . 1]" 1 2725 2 167 THR MG 2 169 LYS HA . . 5.500 3.789 3.342 4.247 . 0 0 "[ . 1]" 1 2726 2 168 ILE H 2 168 ILE MD . . 5.500 3.477 3.311 3.639 . 0 0 "[ . 1]" 1 2727 2 168 ILE H 2 168 ILE HG12 . . 5.500 2.506 2.242 2.668 . 0 0 "[ . 1]" 1 2728 2 168 ILE H 2 168 ILE HG13 . . 5.500 3.854 3.638 4.046 . 0 0 "[ . 1]" 1 2729 2 168 ILE HA 2 168 ILE MD . . 3.200 2.300 2.152 2.402 . 0 0 "[ . 1]" 1 2730 2 168 ILE HA 2 168 ILE MG . . 3.200 2.379 2.286 2.465 . 0 0 "[ . 1]" 1 2731 2 168 ILE HA 2 169 LYS H . . 2.800 2.249 2.151 2.416 . 0 0 "[ . 1]" 1 2732 2 168 ILE MD 2 169 LYS H . . 5.500 4.097 3.882 4.331 . 0 0 "[ . 1]" 1 2733 2 168 ILE MG 2 169 LYS H . . 5.500 3.222 2.732 3.800 . 0 0 "[ . 1]" 1 2734 2 169 LYS H 2 169 LYS HG2 . . 5.500 4.296 2.251 4.631 . 0 0 "[ . 1]" 1 2735 2 169 LYS H 2 170 LYS H . . 5.500 4.591 4.497 4.701 . 0 0 "[ . 1]" 1 2736 2 169 LYS HA 2 170 LYS H . . 3.400 2.413 2.301 2.613 . 0 0 "[ . 1]" 1 2737 2 169 LYS HA 2 171 ASP H . . 5.500 4.381 4.157 4.788 . 0 0 "[ . 1]" 1 2738 2 169 LYS HB2 2 170 LYS H . . 5.000 3.822 2.124 4.087 . 0 0 "[ . 1]" 1 2739 2 169 LYS HB2 2 171 ASP H . . 5.500 4.531 3.245 4.895 . 0 0 "[ . 1]" 1 2740 2 169 LYS HB3 2 170 LYS H . . 5.500 3.655 3.295 3.979 . 0 0 "[ . 1]" 1 2741 2 169 LYS HB3 2 171 ASP H . . 5.500 3.580 2.911 4.938 . 0 0 "[ . 1]" 1 2742 2 169 LYS QD 2 172 TRP HA . . 5.000 4.260 2.848 5.293 0.293 1 0 "[ . 1]" 1 2743 2 169 LYS HG2 2 170 LYS H . . 5.500 2.537 2.109 4.572 . 0 0 "[ . 1]" 1 2744 2 169 LYS HG2 2 171 ASP H . . 5.500 2.492 1.820 5.060 . 0 0 "[ . 1]" 1 2745 2 170 LYS H 2 170 LYS HG3 . . 5.500 4.076 2.126 4.727 . 0 0 "[ . 1]" 1 2746 2 170 LYS H 2 171 ASP H . . 2.800 2.633 2.410 2.907 0.107 6 0 "[ . 1]" 1 2747 2 170 LYS HA 2 171 ASP H . . 5.500 3.502 3.446 3.565 . 0 0 "[ . 1]" 1 2748 2 170 LYS HD3 2 171 ASP H . . 3.400 3.229 2.923 3.615 0.215 6 0 "[ . 1]" 1 2749 2 170 LYS HG3 2 171 ASP H . . 5.500 4.392 2.354 5.124 . 0 0 "[ . 1]" 1 2750 2 171 ASP HB2 2 172 TRP H . . 5.500 2.628 2.434 3.250 . 0 0 "[ . 1]" 1 2751 2 171 ASP HB2 2 173 LYS H . . 3.400 3.003 2.780 3.371 . 0 0 "[ . 1]" 1 2752 2 171 ASP HB3 2 172 TRP H . . 5.500 3.896 3.733 4.194 . 0 0 "[ . 1]" 1 2753 2 171 ASP HB3 2 173 LYS H . . 5.500 4.701 4.506 4.921 . 0 0 "[ . 1]" 1 2754 2 172 TRP H 2 172 TRP HD1 . . 5.500 2.242 2.083 2.376 . 0 0 "[ . 1]" 1 2755 2 172 TRP H 2 172 TRP HE1 . . 5.500 4.738 4.489 4.908 . 0 0 "[ . 1]" 1 2756 2 172 TRP H 2 173 LYS H . . 3.400 1.970 1.888 2.103 . 0 0 "[ . 1]" 1 2757 2 172 TRP HA 2 172 TRP QB . . 2.800 2.152 2.140 2.161 . 0 0 "[ . 1]" 1 2758 2 172 TRP HA 2 172 TRP HD1 . . 5.000 4.046 3.994 4.161 . 0 0 "[ . 1]" 1 2759 2 172 TRP HA 2 172 TRP HE3 . . 5.000 4.906 4.701 5.040 0.040 7 0 "[ . 1]" 1 2760 2 173 LYS H 2 173 LYS HA . . 2.800 2.889 2.832 2.938 0.138 5 0 "[ . 1]" 1 2761 2 173 LYS H 2 173 LYS HD2 . . 5.500 5.080 4.157 5.614 0.114 2 0 "[ . 1]" 1 2762 2 173 LYS H 2 173 LYS HG2 . . 5.500 4.191 2.643 4.757 . 0 0 "[ . 1]" 1 2763 2 173 LYS H 2 174 ASP H . . 3.400 2.335 1.740 3.649 0.249 7 0 "[ . 1]" 1 2764 2 173 LYS HA 2 174 ASP H . . 3.400 3.051 2.126 3.557 0.157 3 0 "[ . 1]" 1 2765 2 173 LYS HB2 2 174 ASP H . . 5.500 4.304 3.780 4.726 . 0 0 "[ . 1]" 1 2766 2 173 LYS HB3 2 174 ASP H . . 5.500 3.950 2.713 4.577 . 0 0 "[ . 1]" 1 2767 2 173 LYS HD3 2 174 ASP H . . 5.500 4.593 2.974 5.797 0.297 5 0 "[ . 1]" 1 2768 2 173 LYS HG2 2 174 ASP H . . 5.500 4.083 2.546 4.878 . 0 0 "[ . 1]" 1 2769 2 174 ASP H 2 174 ASP HB2 . . 3.400 2.677 2.062 3.518 0.118 1 0 "[ . 1]" 1 stop_ save_
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