NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
484575 | 2ipa | 15028 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ipa 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 5024 _Distance_constraint_stats_list.Viol_count 13156 _Distance_constraint_stats_list.Viol_total 26558.916 _Distance_constraint_stats_list.Viol_max 1.818 _Distance_constraint_stats_list.Viol_rms 0.0605 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0120 _Distance_constraint_stats_list.Viol_average_violations_only 0.0961 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ALA 1.202 0.188 1 0 "[ . 1 . 2 ]" 1 3 ILE 20.907 0.704 1 1 "[+ . 1 . 2 ]" 1 4 VAL 10.784 0.404 8 0 "[ . 1 . 2 ]" 1 5 LYS 7.365 0.329 1 0 "[ . 1 . 2 ]" 1 6 ALA 9.727 1.024 1 1 "[+ . 1 . 2 ]" 1 7 THR 2.322 0.251 1 0 "[ . 1 . 2 ]" 1 8 ASP 2.261 0.884 15 1 "[ . 1 + 2 ]" 1 9 GLN 7.589 0.884 15 2 "[- . 1 + 2 ]" 1 10 SER 1.107 0.160 1 0 "[ . 1 . 2 ]" 1 11 PHE 6.436 0.564 1 1 "[+ . 1 . 2 ]" 1 12 SER 10.583 0.447 1 0 "[ . 1 . 2 ]" 1 13 ALA 3.614 0.280 1 0 "[ . 1 . 2 ]" 1 14 GLU 4.764 0.553 6 1 "[ .+ 1 . 2 ]" 1 15 THR 12.227 1.024 1 1 "[+ . 1 . 2 ]" 1 16 SER 2.614 0.359 1 0 "[ . 1 . 2 ]" 1 17 GLU 6.746 0.359 1 0 "[ . 1 . 2 ]" 1 18 GLY 4.466 0.491 1 0 "[ . 1 . 2 ]" 1 19 VAL 14.370 0.510 19 1 "[ . 1 . +2 ]" 1 20 VAL 2.649 0.359 1 0 "[ . 1 . 2 ]" 1 21 LEU 16.247 0.446 1 0 "[ . 1 . 2 ]" 1 22 ALA 10.534 0.564 1 1 "[+ . 1 . 2 ]" 1 23 ASP 1.295 0.148 1 0 "[ . 1 . 2 ]" 1 24 PHE 3.260 0.344 1 0 "[ . 1 . 2 ]" 1 25 TRP 7.928 0.613 1 2 "[+ . 1 - . 2 ]" 1 26 ALA 1.181 0.087 11 0 "[ . 1 . 2 ]" 1 27 PRO 2.826 0.613 1 1 "[+ . 1 . 2 ]" 1 28 TRP 28.935 1.336 1 21 [+***-****************] 1 29 CYS 2.077 0.248 1 0 "[ . 1 . 2 ]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 PRO 3.342 0.621 1 1 "[+ . 1 . 2 ]" 1 32 SER 3.585 0.482 1 0 "[ . 1 . 2 ]" 1 33 LYS 28.204 0.653 1 21 [+**********-*********] 1 34 MET 11.957 0.623 1 21 [+**************-*****] 1 35 ILE 12.398 0.621 1 1 "[+ . 1 . 2 ]" 1 36 ALA 15.353 0.653 1 13 "[+ * ** *1*-*** * *2*]" 1 37 PRO 8.266 0.482 1 0 "[ . 1 . 2 ]" 1 38 VAL 15.068 0.437 1 0 "[ . 1 . 2 ]" 1 39 LEU 11.720 0.386 16 0 "[ . 1 . 2 ]" 1 40 GLU 15.598 0.704 1 1 "[+ . 1 . 2 ]" 1 41 GLU 5.277 0.387 1 0 "[ . 1 . 2 ]" 1 42 LEU 12.029 0.396 1 0 "[ . 1 . 2 ]" 1 43 ASP 22.689 0.694 1 1 "[+ . 1 . 2 ]" 1 44 GLN 25.482 1.623 10 5 "[- . *+* .* 2 ]" 1 45 GLU 51.045 1.623 10 21 [*********+********-**] 1 46 MET 36.504 0.694 1 2 "[+ . 1 . -2 ]" 1 47 GLY 21.707 0.510 19 1 "[ . 1 . +2 ]" 1 48 ASP 11.236 0.606 1 1 "[+ . 1 . 2 ]" 1 49 LYS 39.881 0.828 1 20 "[+***************** **]" 1 50 LEU 30.982 0.507 1 1 "[+ . 1 . 2 ]" 1 51 LYS 21.580 0.442 9 0 "[ . 1 . 2 ]" 1 52 ILE 13.111 0.386 16 0 "[ . 1 . 2 ]" 1 53 VAL 8.791 0.913 1 2 "[+ .- 1 . 2 ]" 1 54 LYS 11.585 0.589 1 1 "[+ . 1 . 2 ]" 1 55 ILE 15.683 0.323 1 0 "[ . 1 . 2 ]" 1 56 ASP 0.004 0.004 10 0 "[ . 1 . 2 ]" 1 57 VAL 14.751 0.736 1 1 "[+ . 1 . 2 ]" 1 58 ASP 21.094 1.135 1 21 [+***************-****] 1 59 GLU 7.912 1.154 1 1 "[+ . 1 . 2 ]" 1 60 ASN 8.276 1.154 1 1 "[+ . 1 . 2 ]" 1 61 GLN 16.431 0.736 1 1 "[+ . 1 . 2 ]" 1 62 GLU 5.597 0.552 1 1 "[+ . 1 . 2 ]" 1 63 THR 5.021 1.172 1 1 "[+ . 1 . 2 ]" 1 64 ALA 6.873 0.338 12 0 "[ . 1 . 2 ]" 1 65 GLY 3.030 0.389 1 0 "[ . 1 . 2 ]" 1 66 LYS 1.688 0.082 1 0 "[ . 1 . 2 ]" 1 67 TYR 4.924 0.145 1 0 "[ . 1 . 2 ]" 1 68 GLY 0.551 0.106 1 0 "[ . 1 . 2 ]" 1 69 VAL 24.716 1.818 1 1 "[+ . 1 . 2 ]" 1 70 MET 6.300 0.674 1 1 "[+ . 1 . 2 ]" 1 71 SER 11.686 0.484 1 0 "[ . 1 . 2 ]" 1 72 ILE 23.397 1.230 1 9 "[+****** *1 - . 2 ]" 1 73 PRO 0.332 0.181 1 0 "[ . 1 . 2 ]" 1 74 THR 5.928 0.825 1 1 "[+ . 1 . 2 ]" 1 75 LEU 18.889 0.628 1 1 "[+ . 1 . 2 ]" 1 76 LEU 28.521 1.172 1 1 "[+ . 1 . 2 ]" 1 77 VAL 9.671 0.274 3 0 "[ . 1 . 2 ]" 1 78 LEU 3.855 0.196 6 0 "[ . 1 . 2 ]" 1 79 LYS 9.122 0.467 11 0 "[ . 1 . 2 ]" 1 80 ASP 4.534 0.491 1 0 "[ . 1 . 2 ]" 1 81 GLY 5.794 0.397 1 0 "[ . 1 . 2 ]" 1 82 GLU 13.649 0.467 11 0 "[ . 1 . 2 ]" 1 83 VAL 14.351 0.442 1 0 "[ . 1 . 2 ]" 1 84 VAL 6.734 0.467 11 0 "[ . 1 . 2 ]" 1 85 GLU 14.283 0.624 17 1 "[ . 1 . + 2 ]" 1 86 THR 21.574 0.507 1 1 "[+ . 1 . 2 ]" 1 87 SER 0.003 0.003 8 0 "[ . 1 . 2 ]" 1 88 VAL 4.229 0.482 1 0 "[ . 1 . 2 ]" 1 89 GLY 2.594 0.370 1 0 "[ . 1 . 2 ]" 1 90 PHE 1.115 0.077 2 0 "[ . 1 . 2 ]" 1 91 LYS 3.303 0.144 1 0 "[ . 1 . 2 ]" 1 92 PRO 1.287 0.232 1 0 "[ . 1 . 2 ]" 1 93 LYS 2.789 0.424 1 0 "[ . 1 . 2 ]" 1 94 GLU 5.747 0.301 1 0 "[ . 1 . 2 ]" 1 95 ALA 14.970 0.977 1 3 "[+ . 1* . - 2 ]" 1 96 LEU 27.796 0.977 1 3 "[+ . 1* . - 2 ]" 1 97 GLN 11.286 0.424 1 0 "[ . 1 . 2 ]" 1 98 GLU 7.820 0.396 1 0 "[ . 1 . 2 ]" 1 99 LEU 18.928 0.628 1 1 "[+ . 1 . 2 ]" 1 100 VAL 13.844 0.567 1 1 "[+ . 1 . 2 ]" 1 101 ASN 14.455 0.668 1 1 "[+ . 1 . 2 ]" 1 102 LYS 13.197 0.496 13 0 "[ . 1 . 2 ]" 1 103 HIS 3.802 0.326 1 0 "[ . 1 . 2 ]" 1 104 LEU 31.373 0.828 1 20 "[+***************** *-]" 2 2 GLU 18.196 0.887 12 16 "[ ** *****+**.***-**]" 2 3 ASN 17.215 0.569 21 2 "[- . 1 . 2+]" 2 4 LYS 27.056 0.934 21 10 "[- * .* *** .* **+]" 2 5 ILE 21.758 0.647 1 1 "[+ . 1 . 2 ]" 2 6 ILE 6.461 0.647 1 1 "[+ . 1 . 2 ]" 2 7 TYR 1.646 0.383 1 0 "[ . 1 . 2 ]" 2 8 PHE 1.740 0.383 1 0 "[ . 1 . 2 ]" 2 9 LEU 7.131 0.297 1 0 "[ . 1 . 2 ]" 2 10 SER 1.679 0.282 1 0 "[ . 1 . 2 ]" 2 11 THR 2.649 0.340 1 0 "[ . 1 . 2 ]" 2 12 GLY 1.946 0.485 1 0 "[ . 1 . 2 ]" 2 13 ASN 8.534 0.754 1 2 "[+ - . 1 . 2 ]" 2 14 SER 0.226 0.045 12 0 "[ . 1 . 2 ]" 2 15 ALA 8.259 0.512 3 1 "[ + . 1 . 2 ]" 2 16 ARG 0.821 0.097 7 0 "[ . 1 . 2 ]" 2 17 SER 0.451 0.076 19 0 "[ . 1 . 2 ]" 2 18 GLN 11.719 0.567 1 1 "[+ . 1 . 2 ]" 2 19 MET 20.280 0.730 9 3 "[- . +* . 2 ]" 2 20 ALA 4.494 0.384 1 0 "[ . 1 . 2 ]" 2 21 GLU 8.769 0.918 1 1 "[+ . 1 . 2 ]" 2 22 GLY 1.749 0.351 2 0 "[ . 1 . 2 ]" 2 23 TRP 4.280 0.509 1 1 "[+ . 1 . 2 ]" 2 24 ALA 7.278 0.578 1 1 "[+ . 1 . 2 ]" 2 25 LYS 49.367 0.904 1 21 [+************-*******] 2 26 GLN 21.136 0.904 1 16 "[+ * * * ****-*******]" 2 27 TYR 7.932 0.335 9 0 "[ . 1 . 2 ]" 2 28 LEU 14.276 0.494 1 0 "[ . 1 . 2 ]" 2 29 GLY 16.038 0.745 2 6 "[ + *. ** 1 * - 2 ]" 2 30 ASP 6.580 0.227 20 0 "[ . 1 . 2 ]" 2 31 GLU 32.257 0.934 21 9 "[ * .* -** .* **+]" 2 32 TRP 24.399 0.887 12 16 "[ ** *****+**.***-**]" 2 33 LYS 19.378 0.877 1 2 "[+ - . 1 . 2 ]" 2 34 VAL 6.911 0.474 10 0 "[ . 1 . 2 ]" 2 35 TYR 0.522 0.057 14 0 "[ . 1 . 2 ]" 2 36 SER 0.141 0.132 20 0 "[ . 1 . 2 ]" 2 37 ALA 2.957 0.383 1 0 "[ . 1 . 2 ]" 2 38 GLY 0.023 0.023 11 0 "[ . 1 . 2 ]" 2 39 ILE 9.284 0.666 11 1 "[ . 1+ . 2 ]" 2 40 GLU 3.076 0.666 11 1 "[ . 1+ . 2 ]" 2 41 ALA 2.646 0.231 1 0 "[ . 1 . 2 ]" 2 42 HIS 8.232 0.769 1 1 "[+ . 1 . 2 ]" 2 43 GLY 1.568 0.160 1 0 "[ . 1 . 2 ]" 2 44 LEU 0.283 0.045 9 0 "[ . 1 . 2 ]" 2 45 ASN 7.419 0.621 1 1 "[+ . 1 . 2 ]" 2 46 PRO 0.459 0.035 9 0 "[ . 1 . 2 ]" 2 47 ASN 12.650 0.672 1 1 "[+ . 1 . 2 ]" 2 48 ALA 13.257 0.730 9 3 "[- . +* . 2 ]" 2 49 VAL 8.410 0.337 19 0 "[ . 1 . 2 ]" 2 50 LYS 25.987 0.562 12 5 "[ .* * 1 + *. -2 ]" 2 51 ALA 5.458 0.409 7 0 "[ . 1 . 2 ]" 2 52 MET 15.543 0.504 1 1 "[+ . 1 . 2 ]" 2 53 LYS 49.235 1.012 4 21 [***+**************-**] 2 54 GLU 10.590 0.551 6 1 "[ .+ 1 . 2 ]" 2 55 VAL 2.818 0.509 1 1 "[+ . 1 . 2 ]" 2 56 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 57 ILE 22.728 0.781 13 15 "[ * ****-*** +*.* *** ]" 2 58 ASP 0.080 0.021 3 0 "[ . 1 . 2 ]" 2 59 ILE 24.063 0.960 1 6 "[+ .* 1 * .** 2*]" 2 60 SER 2.992 0.186 2 0 "[ . 1 . 2 ]" 2 61 ASN 4.066 0.492 1 0 "[ . 1 . 2 ]" 2 62 GLN 15.392 0.960 1 1 "[+ . 1 . 2 ]" 2 63 THR 2.701 0.359 1 0 "[ . 1 . 2 ]" 2 64 SER 0.310 0.104 20 0 "[ . 1 . 2 ]" 2 65 ASP 3.334 0.769 1 1 "[+ . 1 . 2 ]" 2 66 ILE 5.911 0.312 1 0 "[ . 1 . 2 ]" 2 67 ILE 23.958 1.818 1 2 "[+ . 1 - . 2 ]" 2 68 ASP 5.926 0.769 1 1 "[+ . 1 . 2 ]" 2 69 SER 8.618 0.560 1 1 "[+ . 1 . 2 ]" 2 70 ASP 8.069 0.449 1 0 "[ . 1 . 2 ]" 2 71 ILE 8.745 0.627 1 1 "[+ . 1 . 2 ]" 2 72 LEU 14.834 0.529 13 1 "[ . 1 + . 2 ]" 2 73 ASN 4.184 0.674 1 1 "[+ . 1 . 2 ]" 2 74 ASN 5.318 0.317 1 0 "[ . 1 . 2 ]" 2 75 ALA 6.194 0.627 1 1 "[+ . 1 . 2 ]" 2 76 ASP 10.550 0.547 1 1 "[+ . 1 . 2 ]" 2 77 LEU 11.331 0.928 1 1 "[+ . 1 . 2 ]" 2 78 VAL 8.152 0.475 1 0 "[ . 1 . 2 ]" 2 79 VAL 1.489 0.203 1 0 "[ . 1 . 2 ]" 2 80 THR 13.997 0.502 9 1 "[ . +1 . 2 ]" 2 81 LEU 0.126 0.066 18 0 "[ . 1 . 2 ]" 2 82 SER 14.778 1.027 1 2 "[+ . *1 . 2 ]" 2 83 GLY 1.856 0.236 14 0 "[ . 1 . 2 ]" 2 84 ASP 6.535 0.389 1 0 "[ . 1 . 2 ]" 2 85 ALA 0.992 0.340 1 0 "[ . 1 . 2 ]" 2 86 ALA 3.720 0.385 1 0 "[ . 1 . 2 ]" 2 87 ASP 7.521 0.754 1 1 "[+ . 1 . 2 ]" 2 88 LYS 2.685 0.458 1 0 "[ . 1 . 2 ]" 2 89 CYS 24.129 1.336 1 21 [+***-****************] 2 90 PRO 2.872 0.380 1 0 "[ . 1 . 2 ]" 2 91 MET 55.367 1.230 1 21 [+**********-*********] 2 92 THR 18.254 0.620 19 21 [******************+-*] 2 93 PRO 6.550 1.397 1 1 "[+ . 1 . 2 ]" 2 94 PRO 26.752 1.135 1 21 [+******************-*] 2 95 HIS 12.121 0.620 19 21 [******************+-*] 2 96 VAL 2.322 0.400 10 0 "[ . 1 . 2 ]" 2 97 LYS 23.154 0.928 1 1 "[+ . 1 . 2 ]" 2 98 ARG 4.128 0.387 1 0 "[ . 1 . 2 ]" 2 99 GLU 1.054 0.099 1 0 "[ . 1 . 2 ]" 2 100 HIS 3.750 0.271 1 0 "[ . 1 . 2 ]" 2 101 TRP 8.066 1.020 1 1 "[+ . 1 . 2 ]" 2 102 GLY 0.447 0.101 10 0 "[ . 1 . 2 ]" 2 103 PHE 12.747 1.027 1 8 "[+ *** 1 * . - ** ]" 2 104 ASP 13.282 0.732 5 11 "[** *+** 1 * .*- ** ]" 2 105 ASP 1.178 0.500 1 1 "[+ . 1 . 2 ]" 2 106 PRO 7.542 0.491 5 0 "[ . 1 . 2 ]" 2 107 ALA 5.558 0.621 1 1 "[+ . 1 . 2 ]" 2 108 ARG 14.496 0.672 1 1 "[+ . 1 . 2 ]" 2 109 ALA 5.250 0.273 1 0 "[ . 1 . 2 ]" 2 110 GLN 16.583 0.549 1 1 "[+ . 1 . 2 ]" 2 111 GLY 8.607 0.549 1 1 "[+ . 1 . 2 ]" 2 112 THR 10.892 0.490 1 0 "[ . 1 . 2 ]" 2 113 GLU 13.553 0.598 1 1 "[+ . 1 . 2 ]" 2 114 GLU 12.005 0.598 1 1 "[+ . 1 . 2 ]" 2 115 GLU 13.960 0.563 1 1 "[+ . 1 . 2 ]" 2 116 LYS 24.255 0.982 5 11 "[***-+* * 1 * .** *2 ]" 2 117 TRP 15.139 0.993 7 6 "[ * -**+ 1 .* 2 ]" 2 118 ALA 14.368 0.548 1 1 "[+ . 1 . 2 ]" 2 119 PHE 7.267 0.304 1 0 "[ . 1 . 2 ]" 2 120 PHE 10.153 0.993 7 6 "[ * -**+ 1 .* 2 ]" 2 121 GLN 6.500 0.330 1 0 "[ . 1 . 2 ]" 2 122 ARG 3.442 0.330 1 0 "[ . 1 . 2 ]" 2 123 VAL 9.772 0.698 2 5 "[ + *** 1 .- 2 ]" 2 124 ARG 8.312 0.925 1 1 "[+ . 1 . 2 ]" 2 125 ASP 1.800 0.113 9 0 "[ . 1 . 2 ]" 2 126 GLU 0.718 0.096 18 0 "[ . 1 . 2 ]" 2 127 ILE 8.506 0.925 1 1 "[+ . 1 . 2 ]" 2 128 GLY 2.417 0.578 1 1 "[+ . 1 . 2 ]" 2 129 ASN 4.134 0.111 1 0 "[ . 1 . 2 ]" 2 130 ARG 1.899 0.111 1 0 "[ . 1 . 2 ]" 2 131 LEU 3.769 0.384 1 0 "[ . 1 . 2 ]" 2 132 LYS 7.536 0.747 1 1 "[+ . 1 . 2 ]" 2 133 GLU 18.038 1.504 1 2 "[+* . 1 . 2 ]" 2 134 PHE 32.875 0.772 12 20 "[***********+*-**** **]" 2 135 ALA 19.041 0.772 12 7 "[* *. * 1 + -. * 2*]" 2 136 GLU 10.074 0.970 1 1 "[+ . 1 . 2 ]" 2 137 THR 24.854 1.504 1 17 "[+*- ** ****** **** **]" 2 138 GLY 2.836 0.226 1 0 "[ . 1 . 2 ]" 2 139 LYS 22.123 1.020 1 1 "[+ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 58 ASP H 1 58 ASP QB 2.800 . 2.800 2.715 2.202 2.817 0.017 18 0 "[ . 1 . 2 ]" 1 2 1 8 ASP H 1 8 ASP QB 2.800 . 2.800 2.166 2.082 2.239 . 0 0 "[ . 1 . 2 ]" 1 3 1 3 ILE H 1 4 VAL H 4.500 . 4.500 4.116 3.966 4.282 . 0 0 "[ . 1 . 2 ]" 1 4 1 3 ILE H 1 3 ILE HA 2.800 . 2.800 2.941 2.928 2.968 0.168 1 0 "[ . 1 . 2 ]" 1 5 1 2 ALA HA 1 3 ILE H 2.800 . 2.800 2.410 2.275 2.512 . 0 0 "[ . 1 . 2 ]" 1 6 1 3 ILE H 1 52 ILE HB 5.500 . 5.500 4.919 4.537 5.490 . 0 0 "[ . 1 . 2 ]" 1 7 1 3 ILE H 1 3 ILE HB 2.800 . 2.800 2.324 2.248 2.446 . 0 0 "[ . 1 . 2 ]" 1 8 1 2 ALA MB 1 3 ILE H 2.800 . 2.800 2.395 2.259 2.718 . 0 0 "[ . 1 . 2 ]" 1 9 1 3 ILE H 1 3 ILE MD 2.800 . 2.800 2.692 2.556 2.828 0.028 5 0 "[ . 1 . 2 ]" 1 10 1 4 VAL H 1 53 VAL HA 2.800 . 2.800 2.780 2.596 2.923 0.123 17 0 "[ . 1 . 2 ]" 1 11 1 3 ILE HA 1 4 VAL H 2.800 . 2.800 2.150 2.109 2.186 . 0 0 "[ . 1 . 2 ]" 1 12 1 4 VAL H 1 4 VAL HB 3.500 . 3.500 2.409 2.373 2.457 . 0 0 "[ . 1 . 2 ]" 1 13 1 4 VAL H 1 5 LYS QD 4.500 . 4.500 3.801 3.528 4.115 . 0 0 "[ . 1 . 2 ]" 1 14 1 3 ILE HB 1 4 VAL H 4.500 . 4.500 4.215 4.012 4.354 . 0 0 "[ . 1 . 2 ]" 1 15 1 3 ILE QG 1 4 VAL H 5.500 . 5.500 4.100 3.714 4.270 . 0 0 "[ . 1 . 2 ]" 1 16 1 4 VAL H 1 4 VAL QG 2.800 . 2.800 2.170 2.121 2.266 . 0 0 "[ . 1 . 2 ]" 1 17 1 3 ILE MG 1 4 VAL H 3.500 . 3.500 3.435 3.192 3.530 0.030 1 0 "[ . 1 . 2 ]" 1 18 1 4 VAL H 1 5 LYS H 4.500 . 4.500 4.564 4.534 4.626 0.126 1 0 "[ . 1 . 2 ]" 1 19 1 5 LYS H 1 6 ALA H 4.500 . 4.500 3.829 3.756 3.918 . 0 0 "[ . 1 . 2 ]" 1 20 1 5 LYS H 1 53 VAL HA 5.500 . 5.500 4.473 4.388 4.557 . 0 0 "[ . 1 . 2 ]" 1 21 1 5 LYS H 1 5 LYS HA 2.800 . 2.800 2.937 2.911 2.980 0.180 1 0 "[ . 1 . 2 ]" 1 22 1 4 VAL HA 1 5 LYS H 2.800 . 2.800 2.494 2.441 2.553 . 0 0 "[ . 1 . 2 ]" 1 23 1 4 VAL HB 1 5 LYS H . . 3.500 3.534 3.470 3.603 0.103 1 0 "[ . 1 . 2 ]" 1 24 1 5 LYS H 1 5 LYS QB 3.500 . 3.500 2.760 2.428 3.200 . 0 0 "[ . 1 . 2 ]" 1 25 1 5 LYS H 1 5 LYS QG 4.500 . 4.500 3.668 2.174 4.209 . 0 0 "[ . 1 . 2 ]" 1 26 1 4 VAL QG 1 5 LYS H . . 2.800 1.987 1.929 2.049 . 0 0 "[ . 1 . 2 ]" 1 27 1 5 LYS H 1 6 ALA H 4.500 . 4.500 4.188 4.019 4.379 . 0 0 "[ . 1 . 2 ]" 1 28 1 6 ALA H 1 7 THR H 5.500 . 5.500 4.515 4.414 4.575 . 0 0 "[ . 1 . 2 ]" 1 29 1 6 ALA H 1 53 VAL HA 5.500 . 5.500 4.146 3.641 4.523 . 0 0 "[ . 1 . 2 ]" 1 30 1 5 LYS HA 1 6 ALA H 2.800 . 2.800 2.132 2.064 2.253 . 0 0 "[ . 1 . 2 ]" 1 31 1 4 VAL HA 1 6 ALA H 5.500 . 5.500 5.091 4.728 5.388 . 0 0 "[ . 1 . 2 ]" 1 32 1 5 LYS QB 1 6 ALA H 4.500 . 4.500 3.579 2.752 3.931 . 0 0 "[ . 1 . 2 ]" 1 33 1 5 LYS QG 1 6 ALA H 4.500 . 4.500 3.394 2.458 4.309 . 0 0 "[ . 1 . 2 ]" 1 34 1 6 ALA H 1 6 ALA MB 2.800 . 2.800 2.178 2.110 2.405 . 0 0 "[ . 1 . 2 ]" 1 35 1 6 ALA H 1 53 VAL QG 4.500 . 4.500 2.527 2.299 3.645 . 0 0 "[ . 1 . 2 ]" 1 36 1 7 THR H 1 7 THR MG 2.800 . 2.800 2.810 2.712 2.898 0.098 15 0 "[ . 1 . 2 ]" 1 37 1 7 THR H 1 14 GLU QG 5.500 . 5.500 5.085 4.696 5.411 . 0 0 "[ . 1 . 2 ]" 1 38 1 7 THR H 1 10 SER QB 4.500 . 4.500 2.449 1.831 2.848 . 0 0 "[ . 1 . 2 ]" 1 39 1 6 ALA HA 1 7 THR H 2.800 . 2.800 2.354 2.315 2.407 . 0 0 "[ . 1 . 2 ]" 1 40 1 7 THR H 1 9 GLN H 5.500 . 5.500 4.059 3.607 4.305 . 0 0 "[ . 1 . 2 ]" 1 41 1 7 THR H 1 11 PHE H 4.500 . 4.500 2.459 2.305 2.749 . 0 0 "[ . 1 . 2 ]" 1 42 1 7 THR H 1 8 ASP H 5.500 . 5.500 4.196 4.161 4.219 . 0 0 "[ . 1 . 2 ]" 1 43 1 8 ASP H 1 55 ILE MD 5.500 . 5.500 4.433 4.295 4.589 . 0 0 "[ . 1 . 2 ]" 1 44 1 7 THR MG 1 8 ASP H 3.500 . 3.500 3.153 2.862 3.579 0.079 14 0 "[ . 1 . 2 ]" 1 45 1 8 ASP H 1 9 GLN QB 5.500 . 5.500 4.578 4.129 4.961 . 0 0 "[ . 1 . 2 ]" 1 46 1 8 ASP H 1 9 GLN QG 5.500 . 5.500 5.198 4.553 5.500 0.000 10 0 "[ . 1 . 2 ]" 1 47 1 8 ASP H 1 60 ASN QB 5.500 . 5.500 4.007 2.981 5.354 . 0 0 "[ . 1 . 2 ]" 1 48 1 7 THR HA 1 8 ASP H 2.800 . 2.800 2.431 1.845 2.662 . 0 0 "[ . 1 . 2 ]" 1 49 1 8 ASP H 1 60 ASN HA 5.500 . 5.500 4.781 4.469 5.335 . 0 0 "[ . 1 . 2 ]" 1 50 1 8 ASP H 1 60 ASN QD 5.500 . 5.500 5.070 4.283 5.524 0.024 16 0 "[ . 1 . 2 ]" 1 51 1 8 ASP H 1 9 GLN H . . 3.500 3.137 2.810 3.332 . 0 0 "[ . 1 . 2 ]" 1 52 1 8 ASP H 1 63 THR H 5.500 . 5.500 4.414 4.044 4.890 . 0 0 "[ . 1 . 2 ]" 1 53 1 7 THR MG 1 9 GLN H 4.500 . 4.500 3.120 2.710 4.205 . 0 0 "[ . 1 . 2 ]" 1 54 1 9 GLN H 1 9 GLN QB 2.800 . 2.800 2.574 2.496 2.672 . 0 0 "[ . 1 . 2 ]" 1 55 1 9 GLN H 1 9 GLN QG 4.500 . 4.500 3.226 2.750 3.431 . 0 0 "[ . 1 . 2 ]" 1 56 1 8 ASP QB 1 9 GLN H 2.800 . 2.800 2.867 2.646 3.684 0.884 15 1 "[ . 1 + 2 ]" 1 57 1 9 GLN H 1 9 GLN HA 2.800 . 2.800 2.956 2.937 2.993 0.193 1 0 "[ . 1 . 2 ]" 1 58 1 8 ASP HA 1 9 GLN H 4.500 . 4.500 3.554 3.488 3.587 . 0 0 "[ . 1 . 2 ]" 1 59 1 9 GLN H 1 10 SER H . . 2.800 1.901 1.816 2.011 . 0 0 "[ . 1 . 2 ]" 1 60 1 9 GLN H 1 11 PHE H 5.500 . 5.500 3.427 3.326 3.637 . 0 0 "[ . 1 . 2 ]" 1 61 1 8 ASP H 1 10 SER H 5.500 . 5.500 4.410 4.134 4.623 . 0 0 "[ . 1 . 2 ]" 1 62 1 10 SER H 1 11 PHE H 3.500 . 3.500 2.879 2.807 2.951 . 0 0 "[ . 1 . 2 ]" 1 63 1 10 SER H 1 10 SER HA 2.800 . 2.800 2.797 2.766 2.835 0.035 6 0 "[ . 1 . 2 ]" 1 64 1 10 SER H 1 10 SER QB 3.500 . 3.500 2.631 2.549 2.689 . 0 0 "[ . 1 . 2 ]" 1 65 1 9 GLN HA 1 10 SER H 4.500 . 4.500 3.586 3.546 3.601 . 0 0 "[ . 1 . 2 ]" 1 66 1 10 SER H 1 11 PHE HA 5.500 . 5.500 5.449 5.379 5.498 . 0 0 "[ . 1 . 2 ]" 1 67 1 10 SER H 1 11 PHE QB 5.500 . 5.500 4.599 4.506 4.776 . 0 0 "[ . 1 . 2 ]" 1 68 1 8 ASP QB 1 10 SER H 5.500 . 5.500 4.478 4.247 5.316 . 0 0 "[ . 1 . 2 ]" 1 69 1 9 GLN QG 1 10 SER H 4.500 . 4.500 4.258 3.986 4.348 . 0 0 "[ . 1 . 2 ]" 1 70 1 9 GLN QB 1 10 SER H 2.800 . 2.800 2.847 2.810 2.960 0.160 1 0 "[ . 1 . 2 ]" 1 71 1 6 ALA MB 1 10 SER H 4.500 . 4.500 2.721 2.202 3.537 . 0 0 "[ . 1 . 2 ]" 1 72 1 11 PHE H 1 12 SER H 4.500 . 4.500 3.117 2.846 4.343 . 0 0 "[ . 1 . 2 ]" 1 73 1 11 PHE H 1 11 PHE QD 4.500 . 4.500 4.187 4.140 4.279 . 0 0 "[ . 1 . 2 ]" 1 74 1 7 THR HA 1 11 PHE H 4.500 . 4.500 4.507 4.407 4.751 0.251 1 0 "[ . 1 . 2 ]" 1 75 1 10 SER QB 1 11 PHE H 4.500 . 4.500 3.089 2.833 3.190 . 0 0 "[ . 1 . 2 ]" 1 76 1 11 PHE H 1 11 PHE HA 2.800 . 2.800 2.841 2.808 2.922 0.122 5 0 "[ . 1 . 2 ]" 1 77 1 11 PHE H 1 11 PHE QB 2.800 . 2.800 2.214 2.175 2.348 . 0 0 "[ . 1 . 2 ]" 1 78 1 9 GLN QB 1 11 PHE H 5.500 . 5.500 4.302 4.182 4.362 . 0 0 "[ . 1 . 2 ]" 1 79 1 6 ALA MB 1 11 PHE H 4.500 . 4.500 3.108 2.690 3.322 . 0 0 "[ . 1 . 2 ]" 1 80 1 11 PHE H 1 55 ILE MD 4.500 . 4.500 4.158 3.862 4.451 . 0 0 "[ . 1 . 2 ]" 1 81 1 12 SER H 1 13 ALA H 3.500 . 3.500 2.791 2.671 3.193 . 0 0 "[ . 1 . 2 ]" 1 82 1 11 PHE QD 1 12 SER H 3.500 . 3.500 2.870 2.697 3.376 . 0 0 "[ . 1 . 2 ]" 1 83 1 12 SER H 1 12 SER HA 2.800 . 2.800 2.383 2.337 2.410 . 0 0 "[ . 1 . 2 ]" 1 84 1 11 PHE HA 1 12 SER H 4.500 . 4.500 3.411 1.993 3.653 . 0 0 "[ . 1 . 2 ]" 1 85 1 12 SER H 1 13 ALA HA 5.500 . 5.500 4.934 3.974 5.178 . 0 0 "[ . 1 . 2 ]" 1 86 1 11 PHE QB 1 12 SER H 3.500 . 3.500 2.608 2.298 3.617 0.117 13 0 "[ . 1 . 2 ]" 1 87 1 12 SER H 1 13 ALA MB 4.500 . 4.500 4.367 4.285 4.537 0.037 5 0 "[ . 1 . 2 ]" 1 88 1 13 ALA H 1 15 THR H 5.500 . 5.500 4.061 3.915 4.233 . 0 0 "[ . 1 . 2 ]" 1 89 1 11 PHE QD 1 13 ALA H 5.500 . 5.500 5.223 5.101 5.333 . 0 0 "[ . 1 . 2 ]" 1 90 1 13 ALA H 1 14 GLU HA 5.500 . 5.500 5.200 5.107 5.275 . 0 0 "[ . 1 . 2 ]" 1 91 1 13 ALA H 1 13 ALA HA 2.800 . 2.800 2.797 2.786 2.822 0.022 1 0 "[ . 1 . 2 ]" 1 92 1 12 SER HA 1 13 ALA H 2.800 . 2.800 2.371 2.205 2.499 . 0 0 "[ . 1 . 2 ]" 1 93 1 11 PHE QB 1 13 ALA H 5.500 . 5.500 4.762 4.639 5.126 . 0 0 "[ . 1 . 2 ]" 1 94 1 13 ALA H 1 14 GLU QG 5.500 . 5.500 4.554 4.290 4.715 . 0 0 "[ . 1 . 2 ]" 1 95 1 9 GLN QB 1 13 ALA H 5.500 . 5.500 4.149 4.025 4.278 . 0 0 "[ . 1 . 2 ]" 1 96 1 13 ALA H 1 14 GLU QB 5.500 . 5.500 4.693 4.581 4.781 . 0 0 "[ . 1 . 2 ]" 1 97 1 13 ALA H 1 13 ALA MB 2.800 . 2.800 2.211 2.202 2.232 . 0 0 "[ . 1 . 2 ]" 1 98 1 11 PHE H 1 13 ALA H 5.500 . 5.500 4.246 4.123 4.556 . 0 0 "[ . 1 . 2 ]" 1 99 1 12 SER H 1 14 GLU H 5.500 . 5.500 4.151 3.135 4.384 . 0 0 "[ . 1 . 2 ]" 1 100 1 14 GLU H 1 15 THR H 2.800 . 2.800 2.652 2.335 2.726 . 0 0 "[ . 1 . 2 ]" 1 101 1 14 GLU H 1 16 SER H 5.500 . 5.500 4.372 4.097 4.511 . 0 0 "[ . 1 . 2 ]" 1 102 1 10 SER HA 1 14 GLU H 4.500 . 4.500 3.794 3.580 4.202 . 0 0 "[ . 1 . 2 ]" 1 103 1 10 SER QB 1 14 GLU H 5.500 . 5.500 4.205 3.998 4.697 . 0 0 "[ . 1 . 2 ]" 1 104 1 14 GLU H 1 14 GLU HA 2.800 . 2.800 2.862 2.840 2.961 0.161 1 0 "[ . 1 . 2 ]" 1 105 1 13 ALA HA 1 14 GLU H 3.500 . 3.500 3.556 3.528 3.568 0.068 8 0 "[ . 1 . 2 ]" 1 106 1 12 SER HA 1 14 GLU H 4.500 . 4.500 4.046 3.725 4.139 . 0 0 "[ . 1 . 2 ]" 1 107 1 11 PHE HA 1 14 GLU H 4.500 . 4.500 3.754 3.379 3.883 . 0 0 "[ . 1 . 2 ]" 1 108 1 14 GLU H 1 14 GLU QG 2.800 . 2.800 2.493 2.319 2.782 . 0 0 "[ . 1 . 2 ]" 1 109 1 14 GLU H 1 14 GLU QB 2.800 . 2.800 2.315 2.273 2.361 . 0 0 "[ . 1 . 2 ]" 1 110 1 13 ALA MB 1 14 GLU H 2.800 . 2.800 2.629 2.470 2.972 0.172 1 0 "[ . 1 . 2 ]" 1 111 1 14 GLU H 1 53 VAL QG 5.500 . 5.500 4.423 4.188 4.996 . 0 0 "[ . 1 . 2 ]" 1 112 1 14 GLU H 1 15 THR MG 4.500 . 4.500 3.821 3.436 4.052 . 0 0 "[ . 1 . 2 ]" 1 113 1 13 ALA H 1 15 THR H 2.800 . 2.800 2.618 2.324 2.684 . 0 0 "[ . 1 . 2 ]" 1 114 1 15 THR H 1 17 GLU H . . 4.500 4.532 4.465 4.602 0.102 1 0 "[ . 1 . 2 ]" 1 115 1 15 THR H 1 16 SER H 2.800 . 2.800 2.277 2.207 2.349 . 0 0 "[ . 1 . 2 ]" 1 116 1 11 PHE QD 1 15 THR H 5.500 . 5.500 5.465 4.941 5.614 0.114 5 0 "[ . 1 . 2 ]" 1 117 1 14 GLU HA 1 15 THR H 2.800 . 2.800 2.813 2.806 2.818 0.018 12 0 "[ . 1 . 2 ]" 1 118 1 13 ALA HA 1 15 THR H 3.500 . 3.500 3.409 3.374 3.476 . 0 0 "[ . 1 . 2 ]" 1 119 1 12 SER HA 1 15 THR H 3.500 . 3.500 3.324 3.118 3.420 . 0 0 "[ . 1 . 2 ]" 1 120 1 11 PHE HA 1 15 THR H 5.500 . 5.500 4.629 4.038 4.850 . 0 0 "[ . 1 . 2 ]" 1 121 1 14 GLU QB 1 15 THR H 5.500 . 5.500 3.238 3.110 3.330 . 0 0 "[ . 1 . 2 ]" 1 122 1 13 ALA MB 1 15 THR H 5.500 . 5.500 4.435 4.324 4.679 . 0 0 "[ . 1 . 2 ]" 1 123 1 15 THR H 1 20 VAL QG 5.500 . 5.500 4.059 3.892 4.217 . 0 0 "[ . 1 . 2 ]" 1 124 1 15 THR H 1 20 VAL QG 5.500 . 5.500 3.825 3.708 3.935 . 0 0 "[ . 1 . 2 ]" 1 125 1 15 THR H 1 53 VAL QG 5.500 . 5.500 4.499 4.244 4.865 . 0 0 "[ . 1 . 2 ]" 1 126 1 15 THR H 1 15 THR MG 2.800 . 2.800 2.721 2.579 2.807 0.007 2 0 "[ . 1 . 2 ]" 1 127 1 13 ALA H 1 16 SER H 4.500 . 4.500 4.152 3.949 4.248 . 0 0 "[ . 1 . 2 ]" 1 128 1 16 SER H 1 17 GLU H 2.800 . 2.800 2.834 2.810 3.076 0.276 1 0 "[ . 1 . 2 ]" 1 129 1 16 SER H 1 17 GLU HA 5.500 . 5.500 5.389 5.351 5.618 0.118 1 0 "[ . 1 . 2 ]" 1 130 1 15 THR HA 1 16 SER H 3.500 . 3.500 3.372 3.295 3.483 . 0 0 "[ . 1 . 2 ]" 1 131 1 16 SER H 1 16 SER HA 2.800 . 2.800 2.272 2.242 2.306 . 0 0 "[ . 1 . 2 ]" 1 132 1 16 SER H 1 17 GLU QG 5.500 . 5.500 4.455 4.228 4.645 . 0 0 "[ . 1 . 2 ]" 1 133 1 16 SER H 1 17 GLU QB 4.500 . 4.500 4.536 4.495 4.859 0.359 1 0 "[ . 1 . 2 ]" 1 134 1 16 SER H 1 20 VAL QG 5.500 . 5.500 4.398 4.217 4.805 . 0 0 "[ . 1 . 2 ]" 1 135 1 16 SER H 1 20 VAL QG 5.500 . 5.500 4.153 3.945 4.492 . 0 0 "[ . 1 . 2 ]" 1 136 1 15 THR MG 1 16 SER H 4.500 . 4.500 4.323 4.238 4.371 . 0 0 "[ . 1 . 2 ]" 1 137 1 13 ALA MB 1 16 SER H 5.500 . 5.500 4.995 4.827 5.245 . 0 0 "[ . 1 . 2 ]" 1 138 1 17 GLU H 1 18 GLY H 4.500 . 4.500 4.369 4.309 4.420 . 0 0 "[ . 1 . 2 ]" 1 139 1 17 GLU H 1 17 GLU HA 2.800 . 2.800 2.927 2.892 2.959 0.159 1 0 "[ . 1 . 2 ]" 1 140 1 15 THR HA 1 17 GLU H 3.500 . 3.500 3.495 3.353 3.579 0.079 13 0 "[ . 1 . 2 ]" 1 141 1 16 SER QB 1 17 GLU H 3.500 . 3.500 3.442 3.357 3.527 0.027 13 0 "[ . 1 . 2 ]" 1 142 1 16 SER HA 1 17 GLU H 3.500 . 3.500 3.031 3.013 3.048 . 0 0 "[ . 1 . 2 ]" 1 143 1 17 GLU H 1 17 GLU QG 3.500 . 3.500 3.291 3.222 3.403 . 0 0 "[ . 1 . 2 ]" 1 144 1 17 GLU H 1 17 GLU QB 2.800 . 2.800 2.714 2.690 2.751 . 0 0 "[ . 1 . 2 ]" 1 145 1 17 GLU H 1 20 VAL QG 4.500 . 4.500 3.531 3.240 4.388 . 0 0 "[ . 1 . 2 ]" 1 146 1 15 THR MG 1 17 GLU H 5.500 . 5.500 5.326 5.223 5.379 . 0 0 "[ . 1 . 2 ]" 1 147 1 18 GLY H 1 80 ASP H 4.500 . 4.500 3.689 3.535 3.839 . 0 0 "[ . 1 . 2 ]" 1 148 1 18 GLY H 1 19 VAL H 4.500 . 4.500 4.565 4.540 4.633 0.133 1 0 "[ . 1 . 2 ]" 1 149 1 18 GLY H 1 19 VAL HA 5.500 . 5.500 4.848 4.776 4.923 . 0 0 "[ . 1 . 2 ]" 1 150 1 17 GLU HA 1 18 GLY H 2.800 . 2.800 2.315 2.243 2.362 . 0 0 "[ . 1 . 2 ]" 1 151 1 18 GLY H 1 80 ASP HA 3.500 . 3.500 3.316 3.111 3.763 0.263 1 0 "[ . 1 . 2 ]" 1 152 1 18 GLY H 1 18 GLY QA 2.800 . 2.800 2.176 2.150 2.214 . 0 0 "[ . 1 . 2 ]" 1 153 1 18 GLY H 1 80 ASP QB 5.500 . 5.500 3.934 3.246 4.268 . 0 0 "[ . 1 . 2 ]" 1 154 1 17 GLU QG 1 18 GLY H 4.500 . 4.500 3.925 3.860 4.005 . 0 0 "[ . 1 . 2 ]" 1 155 1 17 GLU QB 1 18 GLY H 3.500 . 3.500 2.731 2.613 2.876 . 0 0 "[ . 1 . 2 ]" 1 156 1 18 GLY H 1 19 VAL QG 5.500 . 5.500 4.276 4.097 4.551 . 0 0 "[ . 1 . 2 ]" 1 157 1 19 VAL H 1 20 VAL H 4.500 . 4.500 4.350 4.251 4.479 . 0 0 "[ . 1 . 2 ]" 1 158 1 18 GLY QA 1 19 VAL H 2.800 . 2.800 2.221 2.166 2.267 . 0 0 "[ . 1 . 2 ]" 1 159 1 19 VAL H 1 19 VAL HB 2.800 . 2.800 2.780 2.670 2.834 0.034 17 0 "[ . 1 . 2 ]" 1 160 1 19 VAL H 1 20 VAL HB 4.500 . 4.500 4.151 3.671 4.482 . 0 0 "[ . 1 . 2 ]" 1 161 1 19 VAL H 1 19 VAL QG 2.800 . 2.800 2.705 2.536 2.808 0.008 20 0 "[ . 1 . 2 ]" 1 162 1 20 VAL H 1 78 LEU H 4.500 . 4.500 3.264 3.129 3.388 . 0 0 "[ . 1 . 2 ]" 1 163 1 20 VAL H 1 21 LEU H 5.500 . 5.500 3.908 3.823 4.034 . 0 0 "[ . 1 . 2 ]" 1 164 1 20 VAL H 1 21 LEU HA 5.500 . 5.500 4.731 4.627 4.855 . 0 0 "[ . 1 . 2 ]" 1 165 1 19 VAL HA 1 20 VAL H 2.800 . 2.800 2.060 1.994 2.193 . 0 0 "[ . 1 . 2 ]" 1 166 1 19 VAL HB 1 20 VAL H 5.500 . 5.500 4.166 4.030 4.329 . 0 0 "[ . 1 . 2 ]" 1 167 1 20 VAL H 1 20 VAL HB 3.500 . 3.500 2.890 2.737 3.242 . 0 0 "[ . 1 . 2 ]" 1 168 1 20 VAL H 1 79 LYS QB 5.500 . 5.500 3.861 3.477 4.203 . 0 0 "[ . 1 . 2 ]" 1 169 1 19 VAL QG 1 20 VAL H . . 3.500 2.574 2.412 2.819 . 0 0 "[ . 1 . 2 ]" 1 170 1 19 VAL QG 1 20 VAL H 2.800 . 2.800 2.321 2.051 2.474 . 0 0 "[ . 1 . 2 ]" 1 171 1 20 VAL H 1 20 VAL QG . . 3.500 2.673 2.189 2.854 . 0 0 "[ . 1 . 2 ]" 1 172 1 21 LEU H 1 22 ALA H 5.500 . 5.500 4.372 3.990 4.627 . 0 0 "[ . 1 . 2 ]" 1 173 1 20 VAL H 1 21 LEU H 5.500 . 5.500 4.122 4.041 4.305 . 0 0 "[ . 1 . 2 ]" 1 174 1 21 LEU H 1 51 LYS H 4.500 . 4.500 3.519 3.372 3.822 . 0 0 "[ . 1 . 2 ]" 1 175 1 20 VAL HA 1 21 LEU H 2.800 . 2.800 2.028 1.965 2.082 . 0 0 "[ . 1 . 2 ]" 1 176 1 19 VAL HA 1 21 LEU H 5.500 . 5.500 5.635 5.540 5.946 0.446 1 0 "[ . 1 . 2 ]" 1 177 1 51 LYS HA 1 52 ILE H 2.800 . 2.800 2.351 2.287 2.415 . 0 0 "[ . 1 . 2 ]" 1 178 1 51 LYS QB 1 52 ILE H 2.800 . 2.800 2.552 2.446 2.660 . 0 0 "[ . 1 . 2 ]" 1 179 1 21 LEU H 1 52 ILE QG 3.500 . 3.500 2.914 2.729 3.310 . 0 0 "[ . 1 . 2 ]" 1 180 1 51 LYS QG 1 52 ILE H 4.500 . 4.500 2.359 2.249 2.511 . 0 0 "[ . 1 . 2 ]" 1 181 1 21 LEU H 1 21 LEU QB . . 2.800 2.262 2.131 2.463 . 0 0 "[ . 1 . 2 ]" 1 182 1 19 VAL QG 1 21 LEU H 2.800 . 2.800 2.416 2.192 2.734 . 0 0 "[ . 1 . 2 ]" 1 183 1 20 VAL QG 1 21 LEU H 2.800 . 2.800 2.731 2.198 2.844 0.044 5 0 "[ . 1 . 2 ]" 1 184 1 22 ALA H 1 23 ASP H 5.500 . 5.500 4.463 4.149 4.582 . 0 0 "[ . 1 . 2 ]" 1 185 1 22 ALA H 1 53 VAL H 3.500 . 3.500 3.212 2.968 3.506 0.006 19 0 "[ . 1 . 2 ]" 1 186 1 22 ALA H 1 75 LEU HA 5.500 . 5.500 4.785 4.401 5.114 . 0 0 "[ . 1 . 2 ]" 1 187 1 21 LEU HA 1 22 ALA H 2.800 . 2.800 2.216 2.156 2.258 . 0 0 "[ . 1 . 2 ]" 1 188 1 22 ALA H 1 23 ASP HA 4.500 . 4.500 4.528 4.337 4.648 0.148 1 0 "[ . 1 . 2 ]" 1 189 1 22 ALA H 1 77 VAL HA 3.500 . 3.500 2.950 2.590 3.271 . 0 0 "[ . 1 . 2 ]" 1 190 1 21 LEU QB 1 22 ALA H 5.500 . 5.500 3.976 3.763 4.104 . 0 0 "[ . 1 . 2 ]" 1 191 1 22 ALA H 1 76 LEU QB 4.500 . 4.500 3.807 3.613 4.017 . 0 0 "[ . 1 . 2 ]" 1 192 1 21 LEU HG 1 22 ALA H 4.500 . 4.500 3.431 2.498 4.373 . 0 0 "[ . 1 . 2 ]" 1 193 1 22 ALA H 1 22 ALA MB 2.800 . 2.800 2.452 2.299 2.599 . 0 0 "[ . 1 . 2 ]" 1 194 1 22 ALA H 1 52 ILE QG 4.500 . 4.500 3.917 3.120 4.188 . 0 0 "[ . 1 . 2 ]" 1 195 1 21 LEU QD 1 22 ALA H 4.500 . 4.500 2.637 2.283 3.022 . 0 0 "[ . 1 . 2 ]" 1 196 1 23 ASP H 1 53 VAL H 4.500 . 4.500 3.754 3.564 3.909 . 0 0 "[ . 1 . 2 ]" 1 197 1 22 ALA HA 1 23 ASP H 2.800 . 2.800 2.234 2.128 2.312 . 0 0 "[ . 1 . 2 ]" 1 198 1 23 ASP H 1 23 ASP HA 2.800 . 2.800 2.461 2.387 2.644 . 0 0 "[ . 1 . 2 ]" 1 199 1 23 ASP H 1 23 ASP QB 3.500 . 3.500 2.494 2.307 2.596 . 0 0 "[ . 1 . 2 ]" 1 200 1 22 ALA MB 1 23 ASP H 3.500 . 3.500 2.819 2.653 3.277 . 0 0 "[ . 1 . 2 ]" 1 201 1 23 ASP H 1 52 ILE QG 5.500 . 5.500 4.288 3.868 4.837 . 0 0 "[ . 1 . 2 ]" 1 202 1 23 ASP H 1 39 LEU QD 5.500 . 5.500 4.232 3.724 4.652 . 0 0 "[ . 1 . 2 ]" 1 203 1 23 ASP H 1 53 VAL QG 4.500 . 4.500 4.237 3.267 4.467 . 0 0 "[ . 1 . 2 ]" 1 204 1 3 ILE MG 1 23 ASP H 4.500 . 4.500 4.146 3.677 4.459 . 0 0 "[ . 1 . 2 ]" 1 205 1 24 PHE H 1 74 THR H 5.500 . 5.500 3.008 2.839 3.242 . 0 0 "[ . 1 . 2 ]" 1 206 1 24 PHE H 1 24 PHE QD 3.500 . 3.500 2.698 2.589 2.817 . 0 0 "[ . 1 . 2 ]" 1 207 1 24 PHE H 1 75 LEU HA 4.500 . 4.500 3.802 3.485 3.949 . 0 0 "[ . 1 . 2 ]" 1 208 1 23 ASP HA 1 24 PHE H 2.800 . 2.800 2.268 2.188 2.356 . 0 0 "[ . 1 . 2 ]" 1 209 1 24 PHE H 1 74 THR HB 5.500 . 5.500 4.134 4.003 4.254 . 0 0 "[ . 1 . 2 ]" 1 210 1 23 ASP QB 1 24 PHE H 5.500 . 5.500 3.467 3.424 3.549 . 0 0 "[ . 1 . 2 ]" 1 211 1 24 PHE H 1 55 ILE HB 5.500 . 5.500 5.056 4.923 5.305 . 0 0 "[ . 1 . 2 ]" 1 212 1 24 PHE H 1 35 ILE MD 4.500 . 4.500 3.476 3.094 4.048 . 0 0 "[ . 1 . 2 ]" 1 213 1 24 PHE H 1 75 LEU QD 5.500 . 5.500 3.717 3.162 4.727 . 0 0 "[ . 1 . 2 ]" 1 214 1 25 TRP H 1 25 TRP HE1 5.500 . 5.500 4.414 4.323 4.508 . 0 0 "[ . 1 . 2 ]" 1 215 1 25 TRP H 1 55 ILE H 4.500 . 4.500 3.482 3.333 3.849 . 0 0 "[ . 1 . 2 ]" 1 216 1 25 TRP H 1 57 VAL H 5.500 . 5.500 3.255 3.087 3.666 . 0 0 "[ . 1 . 2 ]" 1 217 1 25 TRP H 1 25 TRP HD1 2.800 . 2.800 2.275 2.126 2.398 . 0 0 "[ . 1 . 2 ]" 1 218 1 24 PHE HA 1 25 TRP H 2.800 . 2.800 2.152 2.114 2.186 . 0 0 "[ . 1 . 2 ]" 1 219 1 23 ASP HA 1 25 TRP H 5.500 . 5.500 4.848 4.725 5.062 . 0 0 "[ . 1 . 2 ]" 1 220 1 25 TRP H 1 56 ASP HA 4.500 . 4.500 3.508 3.269 3.965 . 0 0 "[ . 1 . 2 ]" 1 221 1 24 PHE QB 1 25 TRP H . . 4.500 3.487 3.386 3.622 . 0 0 "[ . 1 . 2 ]" 1 222 1 25 TRP H 1 57 VAL QG 3.500 . 3.500 2.697 2.076 3.066 . 0 0 "[ . 1 . 2 ]" 1 223 1 25 TRP H 1 55 ILE MG 4.500 . 4.500 3.912 3.796 4.233 . 0 0 "[ . 1 . 2 ]" 1 224 1 25 TRP H 1 56 ASP H 5.500 . 5.500 4.660 4.583 4.794 . 0 0 "[ . 1 . 2 ]" 1 225 1 25 TRP HE3 1 26 ALA H 3.500 . 3.500 3.381 3.184 3.505 0.005 12 0 "[ . 1 . 2 ]" 1 226 1 25 TRP HA 1 26 ALA H 3.500 . 3.500 2.414 2.365 2.463 . 0 0 "[ . 1 . 2 ]" 1 227 1 26 ALA H 1 27 PRO HA 5.500 . 5.500 4.857 4.715 5.024 . 0 0 "[ . 1 . 2 ]" 1 228 1 25 TRP QB 1 26 ALA H 3.500 . 3.500 2.912 2.693 3.031 . 0 0 "[ . 1 . 2 ]" 1 229 1 26 ALA H 1 27 PRO QG 5.500 . 5.500 4.839 4.552 5.155 . 0 0 "[ . 1 . 2 ]" 1 230 1 26 ALA H 1 72 ILE MD 4.500 . 4.500 3.662 2.839 4.502 0.002 12 0 "[ . 1 . 2 ]" 1 231 1 28 TRP H 1 28 TRP HD1 2.800 . 2.800 2.764 2.239 3.092 0.292 1 0 "[ . 1 . 2 ]" 1 232 1 28 TRP H 1 28 TRP HA 2.800 . 2.800 2.785 2.724 2.829 0.029 14 0 "[ . 1 . 2 ]" 1 233 1 27 PRO HA 1 28 TRP H 5.500 . 5.500 3.514 3.441 3.595 . 0 0 "[ . 1 . 2 ]" 1 234 1 26 ALA HA 1 28 TRP H 5.500 . 5.500 4.293 4.041 4.460 . 0 0 "[ . 1 . 2 ]" 1 235 1 27 PRO QD 1 28 TRP H 3.500 . 3.500 2.502 2.402 2.610 . 0 0 "[ . 1 . 2 ]" 1 236 1 28 TRP H 1 28 TRP QB 3.500 . 3.500 2.623 2.517 2.762 . 0 0 "[ . 1 . 2 ]" 1 237 1 27 PRO QD 1 28 TRP H 5.500 . 5.500 3.168 2.877 3.277 . 0 0 "[ . 1 . 2 ]" 1 238 1 27 PRO QB 1 28 TRP H 4.500 . 4.500 3.138 2.916 3.295 . 0 0 "[ . 1 . 2 ]" 1 239 1 26 ALA MB 1 28 TRP H 3.500 . 3.500 2.632 2.222 2.882 . 0 0 "[ . 1 . 2 ]" 1 240 1 28 TRP HD1 1 29 CYS H 5.500 . 5.500 4.660 4.027 5.044 . 0 0 "[ . 1 . 2 ]" 1 241 1 28 TRP H 1 29 CYS H 3.500 . 3.500 3.003 2.899 3.224 . 0 0 "[ . 1 . 2 ]" 1 242 1 28 TRP HA 1 29 CYS H 4.500 . 4.500 3.564 3.511 3.643 . 0 0 "[ . 1 . 2 ]" 1 243 1 29 CYS H 1 29 CYS QB 3.500 . 3.500 2.717 2.489 3.365 . 0 0 "[ . 1 . 2 ]" 1 244 1 26 ALA MB 1 29 CYS H 4.500 . 4.500 4.324 3.296 4.549 0.049 7 0 "[ . 1 . 2 ]" 1 245 1 32 SER H 1 34 MET H 4.500 . 4.500 4.187 4.101 4.237 . 0 0 "[ . 1 . 2 ]" 1 246 1 32 SER H 1 33 LYS H 2.800 . 2.800 2.800 2.741 2.897 0.097 1 0 "[ . 1 . 2 ]" 1 247 1 25 TRP HA 1 32 SER H 5.500 . 5.500 5.031 4.896 5.170 . 0 0 "[ . 1 . 2 ]" 1 248 1 25 TRP QB 1 32 SER H 5.500 . 5.500 4.781 4.693 4.902 . 0 0 "[ . 1 . 2 ]" 1 249 1 32 SER H 1 33 LYS QB 3.500 . 3.500 3.395 3.143 3.615 0.115 5 0 "[ . 1 . 2 ]" 1 250 1 31 PRO QB 1 32 SER H 4.500 . 4.500 2.871 2.796 2.971 . 0 0 "[ . 1 . 2 ]" 1 251 1 33 LYS H 1 34 MET H . . 3.500 2.398 2.264 2.600 . 0 0 "[ . 1 . 2 ]" 1 252 1 31 PRO HA 1 33 LYS H 5.500 . 5.500 2.716 2.594 2.771 . 0 0 "[ . 1 . 2 ]" 1 253 1 30 GLY QA 1 33 LYS H 5.500 . 5.500 3.570 3.419 3.633 . 0 0 "[ . 1 . 2 ]" 1 254 1 33 LYS H 1 33 LYS QB 3.500 . 3.500 2.734 2.574 3.202 . 0 0 "[ . 1 . 2 ]" 1 255 1 33 LYS H 1 33 LYS QG 4.500 . 4.500 3.311 2.721 3.641 . 0 0 "[ . 1 . 2 ]" 1 256 1 34 MET H 1 35 ILE H 4.500 . 4.500 2.031 1.949 2.068 . 0 0 "[ . 1 . 2 ]" 1 257 1 31 PRO HA 1 34 MET H 4.500 . 4.500 2.995 2.923 3.072 . 0 0 "[ . 1 . 2 ]" 1 258 1 34 MET H 1 34 MET QG 3.500 . 3.500 2.924 2.732 3.247 . 0 0 "[ . 1 . 2 ]" 1 259 1 34 MET H 1 37 PRO QG 4.500 . 4.500 4.429 4.327 4.649 0.149 1 0 "[ . 1 . 2 ]" 1 260 1 34 MET H 1 34 MET QB 2.800 . 2.800 2.655 2.612 2.682 . 0 0 "[ . 1 . 2 ]" 1 261 1 31 PRO QB 1 34 MET H 5.500 . 5.500 4.046 3.847 4.106 . 0 0 "[ . 1 . 2 ]" 1 262 1 33 LYS H 1 35 ILE H 5.500 . 5.500 4.116 3.995 4.342 . 0 0 "[ . 1 . 2 ]" 1 263 1 35 ILE H 1 36 ALA H 2.800 . 2.800 2.626 2.572 2.671 . 0 0 "[ . 1 . 2 ]" 1 264 1 35 ILE H 1 35 ILE HA 2.800 . 2.800 2.829 2.818 2.838 0.038 21 0 "[ . 1 . 2 ]" 1 265 1 34 MET HA 1 35 ILE H 4.500 . 4.500 3.627 3.613 3.645 . 0 0 "[ . 1 . 2 ]" 1 266 1 35 ILE H 1 37 PRO QD 5.500 . 5.500 3.751 3.704 3.807 . 0 0 "[ . 1 . 2 ]" 1 267 1 30 GLY QA 1 35 ILE H 5.500 . 5.500 4.999 4.945 5.052 . 0 0 "[ . 1 . 2 ]" 1 268 1 34 MET QB 1 35 ILE H 2.800 . 2.800 2.560 2.510 2.719 . 0 0 "[ . 1 . 2 ]" 1 269 1 35 ILE H 1 35 ILE HB 2.800 . 2.800 2.171 2.117 2.252 . 0 0 "[ . 1 . 2 ]" 1 270 1 31 PRO QB 1 35 ILE H 4.500 . 4.500 3.450 3.359 3.537 . 0 0 "[ . 1 . 2 ]" 1 271 1 35 ILE H 1 36 ALA MB 4.500 . 4.500 4.254 4.173 4.313 . 0 0 "[ . 1 . 2 ]" 1 272 1 35 ILE H 1 35 ILE MG 2.800 . 2.800 2.676 2.473 2.798 . 0 0 "[ . 1 . 2 ]" 1 273 1 34 MET H 1 36 ALA H 5.500 . 5.500 2.904 2.804 3.046 . 0 0 "[ . 1 . 2 ]" 1 274 1 36 ALA H 1 38 VAL H 4.500 . 4.500 4.147 4.095 4.192 . 0 0 "[ . 1 . 2 ]" 1 275 1 35 ILE HA 1 36 ALA H 4.500 . 4.500 3.564 3.546 3.584 . 0 0 "[ . 1 . 2 ]" 1 276 1 36 ALA H 1 37 PRO QD 2.800 . 2.800 2.418 2.368 2.494 . 0 0 "[ . 1 . 2 ]" 1 277 1 36 ALA H 1 36 ALA HA 2.800 . 2.800 2.784 2.756 2.816 0.016 7 0 "[ . 1 . 2 ]" 1 278 1 35 ILE HB 1 36 ALA H 3.500 . 3.500 3.462 3.427 3.560 0.060 1 0 "[ . 1 . 2 ]" 1 279 1 36 ALA H 1 36 ALA MB 2.800 . 2.800 2.236 2.216 2.271 . 0 0 "[ . 1 . 2 ]" 1 280 1 35 ILE MG 1 36 ALA H 3.500 . 3.500 2.322 2.245 2.424 . 0 0 "[ . 1 . 2 ]" 1 281 1 36 ALA H 1 39 LEU QD 5.500 . 5.500 4.398 4.027 4.763 . 0 0 "[ . 1 . 2 ]" 1 282 1 33 LYS H 1 36 ALA H 5.500 . 5.500 4.129 4.068 4.206 . 0 0 "[ . 1 . 2 ]" 1 283 1 38 VAL H 1 39 LEU H 2.800 . 2.800 2.828 2.817 2.836 0.036 15 0 "[ . 1 . 2 ]" 1 284 1 38 VAL H 1 40 GLU H 4.500 . 4.500 4.026 3.966 4.070 . 0 0 "[ . 1 . 2 ]" 1 285 1 35 ILE HA 1 38 VAL H 3.500 . 3.500 3.151 3.125 3.191 . 0 0 "[ . 1 . 2 ]" 1 286 1 37 PRO QD 1 38 VAL H 4.500 . 4.500 3.042 2.966 3.062 . 0 0 "[ . 1 . 2 ]" 1 287 1 38 VAL H 1 38 VAL HA 2.800 . 2.800 2.815 2.805 2.836 0.036 1 0 "[ . 1 . 2 ]" 1 288 1 38 VAL H 1 38 VAL HB 2.800 . 2.800 2.127 2.054 2.214 . 0 0 "[ . 1 . 2 ]" 1 289 1 37 PRO QG 1 38 VAL H 2.800 . 2.800 2.775 2.536 2.806 0.006 6 0 "[ . 1 . 2 ]" 1 290 1 38 VAL H 1 38 VAL QG 2.800 . 2.800 2.441 2.407 2.486 . 0 0 "[ . 1 . 2 ]" 1 291 1 38 VAL H 1 39 LEU QD 5.500 . 5.500 4.807 4.299 5.123 . 0 0 "[ . 1 . 2 ]" 1 292 1 39 LEU H 1 40 GLU H . . 2.800 2.715 2.642 2.771 . 0 0 "[ . 1 . 2 ]" 1 293 1 35 ILE HA 1 39 LEU H 4.500 . 4.500 3.709 3.655 3.763 . 0 0 "[ . 1 . 2 ]" 1 294 1 36 ALA HA 1 39 LEU H 2.800 . 2.800 2.671 2.637 2.687 . 0 0 "[ . 1 . 2 ]" 1 295 1 38 VAL HB 1 39 LEU H 3.500 . 3.500 2.987 2.862 3.082 . 0 0 "[ . 1 . 2 ]" 1 296 1 39 LEU H 1 39 LEU QB 2.800 . 2.800 2.302 2.144 2.557 . 0 0 "[ . 1 . 2 ]" 1 297 1 35 ILE MG 1 39 LEU H 3.500 . 3.500 2.964 2.793 3.097 . 0 0 "[ . 1 . 2 ]" 1 298 1 39 LEU H 1 39 LEU QD 3.500 . 3.500 3.024 2.516 3.298 . 0 0 "[ . 1 . 2 ]" 1 299 1 40 GLU H 1 42 LEU H 5.500 . 5.500 3.928 3.851 4.084 . 0 0 "[ . 1 . 2 ]" 1 300 1 38 VAL H 1 40 GLU H 5.500 . 5.500 4.356 4.273 4.430 . 0 0 "[ . 1 . 2 ]" 1 301 1 37 PRO HA 1 40 GLU H 3.500 . 3.500 3.298 3.137 3.402 . 0 0 "[ . 1 . 2 ]" 1 302 1 40 GLU H 1 41 GLU HA 5.500 . 5.500 5.293 5.260 5.329 . 0 0 "[ . 1 . 2 ]" 1 303 1 40 GLU H 1 40 GLU HA 2.800 . 2.800 2.852 2.842 2.894 0.094 1 0 "[ . 1 . 2 ]" 1 304 1 40 GLU H 1 40 GLU QG 3.500 . 3.500 2.251 2.181 2.398 . 0 0 "[ . 1 . 2 ]" 1 305 1 40 GLU H 1 41 GLU QG 4.500 . 4.500 4.514 4.462 4.529 0.029 1 0 "[ . 1 . 2 ]" 1 306 1 39 LEU QB 1 40 GLU H 2.800 . 2.800 2.277 2.181 2.347 . 0 0 "[ . 1 . 2 ]" 1 307 1 39 LEU QB 1 40 GLU H 4.500 . 4.500 2.673 2.416 2.887 . 0 0 "[ . 1 . 2 ]" 1 308 1 38 VAL QG 1 40 GLU H 5.500 . 5.500 4.719 4.629 4.805 . 0 0 "[ . 1 . 2 ]" 1 309 1 39 LEU QD 1 40 GLU H 4.500 . 4.500 4.162 4.031 4.259 . 0 0 "[ . 1 . 2 ]" 1 310 1 41 GLU H 1 43 ASP H 5.500 . 5.500 4.259 4.123 4.345 . 0 0 "[ . 1 . 2 ]" 1 311 1 41 GLU H 1 42 LEU H 2.800 . 2.800 2.619 2.531 2.683 . 0 0 "[ . 1 . 2 ]" 1 312 1 39 LEU H 1 41 GLU H 5.500 . 5.500 4.073 3.931 4.197 . 0 0 "[ . 1 . 2 ]" 1 313 1 37 PRO HA 1 41 GLU H 5.500 . 5.500 3.982 3.869 4.059 . 0 0 "[ . 1 . 2 ]" 1 314 1 41 GLU H 1 41 GLU HA 2.800 . 2.800 2.853 2.841 2.874 0.074 1 0 "[ . 1 . 2 ]" 1 315 1 39 LEU HA 1 41 GLU H 3.500 . 3.500 3.422 3.392 3.461 . 0 0 "[ . 1 . 2 ]" 1 316 1 41 GLU H 1 41 GLU QG 2.800 . 2.800 2.464 2.381 2.506 . 0 0 "[ . 1 . 2 ]" 1 317 1 41 GLU H 1 41 GLU QB 2.800 . 2.800 2.296 2.261 2.331 . 0 0 "[ . 1 . 2 ]" 1 318 1 40 GLU QB 1 41 GLU H 3.500 . 3.500 2.775 2.716 2.824 . 0 0 "[ . 1 . 2 ]" 1 319 1 41 GLU H 1 93 LYS QD 4.500 . 4.500 4.481 4.343 4.564 0.064 19 0 "[ . 1 . 2 ]" 1 320 1 42 LEU H 1 43 ASP H . . 2.800 2.473 2.294 2.752 . 0 0 "[ . 1 . 2 ]" 1 321 1 41 GLU HA 1 42 LEU H 4.500 . 4.500 3.499 3.434 3.564 . 0 0 "[ . 1 . 2 ]" 1 322 1 39 LEU HA 1 42 LEU H 2.800 . 2.800 2.683 2.609 2.790 . 0 0 "[ . 1 . 2 ]" 1 323 1 42 LEU H 1 43 ASP QB 5.500 . 5.500 4.245 4.072 4.496 . 0 0 "[ . 1 . 2 ]" 1 324 1 41 GLU QG 1 42 LEU H 4.500 . 4.500 4.246 4.103 4.321 . 0 0 "[ . 1 . 2 ]" 1 325 1 41 GLU QB 1 42 LEU H 3.500 . 3.500 2.988 2.614 3.159 . 0 0 "[ . 1 . 2 ]" 1 326 1 42 LEU H 1 42 LEU QB 2.800 . 2.800 2.205 1.971 2.326 . 0 0 "[ . 1 . 2 ]" 1 327 1 39 LEU QB 1 42 LEU H 5.500 . 5.500 4.545 4.409 4.821 . 0 0 "[ . 1 . 2 ]" 1 328 1 3 ILE MD 1 42 LEU H 4.500 . 4.500 3.559 3.525 3.593 . 0 0 "[ . 1 . 2 ]" 1 329 1 43 ASP H 1 44 GLN H 2.800 . 2.800 2.673 2.609 2.877 0.077 1 0 "[ . 1 . 2 ]" 1 330 1 43 ASP H 1 43 ASP HA 2.800 . 2.800 2.849 2.826 2.864 0.064 4 0 "[ . 1 . 2 ]" 1 331 1 41 GLU HA 1 43 ASP H 4.500 . 4.500 4.549 4.514 4.674 0.174 1 0 "[ . 1 . 2 ]" 1 332 1 40 GLU HA 1 43 ASP H 3.500 . 3.500 3.056 2.999 3.113 . 0 0 "[ . 1 . 2 ]" 1 333 1 43 ASP H 1 43 ASP QB 2.800 . 2.800 2.231 2.201 2.259 . 0 0 "[ . 1 . 2 ]" 1 334 1 41 GLU QB 1 43 ASP H 4.500 . 4.500 4.225 4.053 4.451 . 0 0 "[ . 1 . 2 ]" 1 335 1 39 LEU QB 1 43 ASP H 4.500 . 4.500 3.932 3.835 4.023 . 0 0 "[ . 1 . 2 ]" 1 336 1 42 LEU HG 1 43 ASP H 4.500 . 4.500 3.666 3.096 4.499 . 0 0 "[ . 1 . 2 ]" 1 337 1 3 ILE MD 1 43 ASP H 4.500 . 4.500 3.181 3.091 3.297 . 0 0 "[ . 1 . 2 ]" 1 338 1 43 ASP H 1 52 ILE MD 3.500 . 3.500 2.998 2.692 3.537 0.037 13 0 "[ . 1 . 2 ]" 1 339 1 42 LEU H 1 44 GLN H 4.500 . 4.500 4.032 3.846 4.317 . 0 0 "[ . 1 . 2 ]" 1 340 1 43 ASP HA 1 44 GLN H 3.500 . 3.500 3.566 3.545 3.628 0.128 1 0 "[ . 1 . 2 ]" 1 341 1 40 GLU HA 1 44 GLN H 4.500 . 4.500 3.746 3.666 3.831 . 0 0 "[ . 1 . 2 ]" 1 342 1 41 GLU HA 1 44 GLN H 2.800 . 2.800 2.763 2.723 2.788 . 0 0 "[ . 1 . 2 ]" 1 343 1 44 GLN H 1 44 GLN QG 3.500 . 3.500 2.355 2.194 2.520 . 0 0 "[ . 1 . 2 ]" 1 344 1 43 ASP QB 1 44 GLN H 2.800 . 2.800 2.655 2.572 2.794 . 0 0 "[ . 1 . 2 ]" 1 345 1 44 GLN H 1 44 GLN QB 2.800 . 2.800 2.361 2.211 2.490 . 0 0 "[ . 1 . 2 ]" 1 346 1 40 GLU QB 1 44 GLN H 4.500 . 4.500 3.961 3.846 4.138 . 0 0 "[ . 1 . 2 ]" 1 347 1 45 GLU H 1 46 MET H 2.800 . 2.800 2.249 2.065 2.436 . 0 0 "[ . 1 . 2 ]" 1 348 1 45 GLU H 1 47 GLY H 4.500 . 4.500 3.343 3.132 3.615 . 0 0 "[ . 1 . 2 ]" 1 349 1 45 GLU H 1 46 MET HA 5.500 . 5.500 4.898 4.757 5.101 . 0 0 "[ . 1 . 2 ]" 1 350 1 45 GLU H 1 45 GLU HA 2.800 . 2.800 2.897 2.874 2.983 0.183 1 0 "[ . 1 . 2 ]" 1 351 1 41 GLU HA 1 45 GLU H 3.500 . 3.500 3.373 3.332 3.429 . 0 0 "[ . 1 . 2 ]" 1 352 1 42 LEU HA 1 45 GLU H 4.500 . 4.500 3.602 3.434 3.680 . 0 0 "[ . 1 . 2 ]" 1 353 1 43 ASP QB 1 45 GLU H 4.500 . 4.500 4.541 4.503 4.590 0.090 1 0 "[ . 1 . 2 ]" 1 354 1 44 GLN QG 1 45 GLU H 3.500 . 3.500 3.043 2.814 3.563 0.063 11 0 "[ . 1 . 2 ]" 1 355 1 45 GLU H 1 45 GLU QG 3.500 . 3.500 3.575 3.535 3.954 0.454 1 0 "[ . 1 . 2 ]" 1 356 1 44 GLN QB 1 45 GLU H 3.500 . 3.500 3.231 2.802 3.517 0.017 1 0 "[ . 1 . 2 ]" 1 357 1 45 GLU H 1 45 GLU QB 2.800 . 2.800 2.141 1.953 2.332 . 0 0 "[ . 1 . 2 ]" 1 358 1 46 MET H 1 47 GLY H 2.800 . 2.800 2.240 2.164 2.314 . 0 0 "[ . 1 . 2 ]" 1 359 1 46 MET H 1 47 GLY QA 4.500 . 4.500 3.935 3.860 4.102 . 0 0 "[ . 1 . 2 ]" 1 360 1 43 ASP HA 1 46 MET H 3.500 . 3.500 3.068 2.907 3.224 . 0 0 "[ . 1 . 2 ]" 1 361 1 42 LEU HA 1 46 MET H 4.500 . 4.500 3.996 3.876 4.151 . 0 0 "[ . 1 . 2 ]" 1 362 1 46 MET H 1 46 MET QG . . 2.800 2.132 2.002 2.252 . 0 0 "[ . 1 . 2 ]" 1 363 1 44 GLN QB 1 46 MET H 2.800 . 2.800 2.838 2.773 3.312 0.512 1 1 "[+ . 1 . 2 ]" 1 364 1 45 GLU QB 1 46 MET H 3.500 . 3.500 2.820 2.593 2.968 . 0 0 "[ . 1 . 2 ]" 1 365 1 42 LEU QB 1 46 MET H 5.500 . 5.500 4.076 3.580 4.939 . 0 0 "[ . 1 . 2 ]" 1 366 1 46 MET H 1 50 LEU QD 4.500 . 4.500 4.439 4.227 4.527 0.027 3 0 "[ . 1 . 2 ]" 1 367 1 47 GLY H 1 49 LYS H 5.500 . 5.500 4.398 4.352 4.450 . 0 0 "[ . 1 . 2 ]" 1 368 1 45 GLU H 1 47 GLY H 3.500 . 3.500 3.276 3.076 3.508 0.008 9 0 "[ . 1 . 2 ]" 1 369 1 46 MET HA 1 47 GLY H 3.500 . 3.500 3.161 3.112 3.383 . 0 0 "[ . 1 . 2 ]" 1 370 1 43 ASP HA 1 47 GLY H 3.500 . 3.500 2.853 2.659 3.045 . 0 0 "[ . 1 . 2 ]" 1 371 1 47 GLY H 1 47 GLY QA 2.800 . 2.800 2.198 2.163 2.239 . 0 0 "[ . 1 . 2 ]" 1 372 1 46 MET QG 1 47 GLY H . . 3.500 3.517 3.260 3.797 0.297 19 0 "[ . 1 . 2 ]" 1 373 1 45 GLU QB 1 47 GLY H 4.500 . 4.500 3.748 2.862 3.828 . 0 0 "[ . 1 . 2 ]" 1 374 1 42 LEU QB 1 47 GLY H 5.500 . 5.500 4.293 3.982 4.572 . 0 0 "[ . 1 . 2 ]" 1 375 1 47 GLY H 1 50 LEU QD 4.500 . 4.500 4.462 4.291 4.543 0.043 21 0 "[ . 1 . 2 ]" 1 376 1 47 GLY H 1 48 ASP H 2.800 . 2.800 2.750 2.661 2.847 0.047 19 0 "[ . 1 . 2 ]" 1 377 1 48 ASP H 1 49 LYS H 2.800 . 2.800 2.466 2.220 2.797 . 0 0 "[ . 1 . 2 ]" 1 378 1 45 GLU H 1 48 ASP H 3.500 . 3.500 3.498 3.364 3.651 0.151 1 0 "[ . 1 . 2 ]" 1 379 1 48 ASP H 1 48 ASP HA 2.800 . 2.800 2.877 2.828 2.907 0.107 8 0 "[ . 1 . 2 ]" 1 380 1 48 ASP H 1 49 LYS HA 5.500 . 5.500 5.129 4.910 5.436 . 0 0 "[ . 1 . 2 ]" 1 381 1 47 GLY QA 1 48 ASP H 2.800 . 2.800 2.892 2.846 2.929 0.129 1 0 "[ . 1 . 2 ]" 1 382 1 48 ASP H 1 48 ASP QB 2.800 . 2.800 2.227 2.060 2.260 . 0 0 "[ . 1 . 2 ]" 1 383 1 85 GLU QB 1 86 THR H 2.800 . 2.800 2.655 2.505 3.069 0.269 17 0 "[ . 1 . 2 ]" 1 384 1 75 LEU QB 1 86 THR H 3.500 . 3.500 2.650 2.501 3.058 . 0 0 "[ . 1 . 2 ]" 1 385 1 48 ASP H 1 49 LYS QG 4.500 . 4.500 4.315 4.141 4.945 0.445 1 0 "[ . 1 . 2 ]" 1 386 1 86 THR H 1 86 THR MG 4.500 . 4.500 3.958 3.862 4.011 . 0 0 "[ . 1 . 2 ]" 1 387 1 49 LYS H 1 50 LEU H 2.800 . 2.800 2.039 1.898 2.115 . 0 0 "[ . 1 . 2 ]" 1 388 1 46 MET HA 1 49 LYS H 4.500 . 4.500 3.817 3.681 3.888 . 0 0 "[ . 1 . 2 ]" 1 389 1 48 ASP HA 1 49 LYS H 3.500 . 3.500 3.501 3.451 3.554 0.054 1 0 "[ . 1 . 2 ]" 1 390 1 49 LYS H 1 49 LYS HA 2.800 . 2.800 2.933 2.921 2.993 0.193 1 0 "[ . 1 . 2 ]" 1 391 1 47 GLY QA 1 49 LYS H 4.500 . 4.500 3.317 3.291 3.428 . 0 0 "[ . 1 . 2 ]" 1 392 1 48 ASP QB 1 49 LYS H . . 3.500 2.968 2.848 2.999 . 0 0 "[ . 1 . 2 ]" 1 393 1 19 VAL HB 1 49 LYS H 4.500 . 4.500 4.566 4.504 4.847 0.347 1 0 "[ . 1 . 2 ]" 1 394 1 49 LYS H 1 49 LYS QB 3.500 . 3.500 2.704 2.600 2.831 . 0 0 "[ . 1 . 2 ]" 1 395 1 49 LYS H 1 49 LYS QB 2.800 . 2.800 2.094 2.019 2.162 . 0 0 "[ . 1 . 2 ]" 1 396 1 49 LYS H 1 49 LYS QG 2.800 . 2.800 2.872 2.814 3.197 0.397 1 0 "[ . 1 . 2 ]" 1 397 1 49 LYS H 1 50 LEU QB 5.500 . 5.500 3.604 3.418 3.690 . 0 0 "[ . 1 . 2 ]" 1 398 1 49 LYS H 1 50 LEU QD 4.500 . 4.500 3.895 3.767 4.000 . 0 0 "[ . 1 . 2 ]" 1 399 1 48 ASP H 1 50 LEU H 4.500 . 4.500 3.742 3.535 4.022 . 0 0 "[ . 1 . 2 ]" 1 400 1 46 MET HA 1 50 LEU H 5.500 . 5.500 4.513 4.232 4.588 . 0 0 "[ . 1 . 2 ]" 1 401 1 50 LEU H 1 50 LEU HA 2.800 . 2.800 2.954 2.930 2.989 0.189 1 0 "[ . 1 . 2 ]" 1 402 1 49 LYS HA 1 50 LEU H 3.500 . 3.500 3.461 3.407 3.507 0.007 17 0 "[ . 1 . 2 ]" 1 403 1 47 GLY QA 1 50 LEU H . . 3.500 2.518 2.371 2.765 . 0 0 "[ . 1 . 2 ]" 1 404 1 19 VAL HB 1 50 LEU H 4.500 . 4.500 4.395 3.508 4.781 0.281 1 0 "[ . 1 . 2 ]" 1 405 1 49 LYS QB 1 50 LEU H . . 3.500 3.103 2.861 3.407 . 0 0 "[ . 1 . 2 ]" 1 406 1 50 LEU H 1 50 LEU QB 2.800 . 2.800 2.293 2.196 2.407 . 0 0 "[ . 1 . 2 ]" 1 407 1 49 LYS QG 1 50 LEU H 4.500 . 4.500 4.378 4.216 4.684 0.184 1 0 "[ . 1 . 2 ]" 1 408 1 50 LEU H 1 50 LEU HG 4.500 . 4.500 4.379 4.305 4.647 0.147 3 0 "[ . 1 . 2 ]" 1 409 1 50 LEU H 1 50 LEU QD 3.500 . 3.500 3.834 3.606 3.937 0.437 1 0 "[ . 1 . 2 ]" 1 410 1 20 VAL HA 1 51 LYS H 3.500 . 3.500 2.745 2.509 2.924 . 0 0 "[ . 1 . 2 ]" 1 411 1 50 LEU HA 1 51 LYS H 2.800 . 2.800 2.244 2.168 2.304 . 0 0 "[ . 1 . 2 ]" 1 412 1 19 VAL HB 1 51 LYS H 5.500 . 5.500 4.834 4.562 5.174 . 0 0 "[ . 1 . 2 ]" 1 413 1 50 LEU QB 1 51 LYS H 3.500 . 3.500 3.583 3.525 3.764 0.264 1 0 "[ . 1 . 2 ]" 1 414 1 51 LYS H 1 51 LYS QB 2.800 . 2.800 2.458 2.339 2.538 . 0 0 "[ . 1 . 2 ]" 1 415 1 50 LEU HG 1 51 LYS H 4.500 . 4.500 2.966 2.489 4.344 . 0 0 "[ . 1 . 2 ]" 1 416 1 50 LEU QD 1 51 LYS H 2.800 . 2.800 1.954 1.709 2.233 0.091 19 0 "[ . 1 . 2 ]" 1 417 1 20 VAL QG 1 51 LYS H 4.500 . 4.500 3.403 3.114 4.033 . 0 0 "[ . 1 . 2 ]" 1 418 1 83 VAL H 1 84 VAL H 5.500 . 5.500 4.541 4.518 4.602 . 0 0 "[ . 1 . 2 ]" 1 419 1 82 GLU H 1 83 VAL H 4.500 . 4.500 4.354 4.323 4.393 . 0 0 "[ . 1 . 2 ]" 1 420 1 78 LEU HA 1 83 VAL H 4.500 . 4.500 4.453 4.314 4.546 0.046 1 0 "[ . 1 . 2 ]" 1 421 1 82 GLU HA 1 83 VAL H 2.800 . 2.800 2.308 2.261 2.386 . 0 0 "[ . 1 . 2 ]" 1 422 1 82 GLU QG 1 83 VAL H . . 3.500 3.548 3.502 3.756 0.256 1 0 "[ . 1 . 2 ]" 1 423 1 83 VAL H 1 83 VAL HB 2.800 . 2.800 2.497 2.287 2.607 . 0 0 "[ . 1 . 2 ]" 1 424 1 82 GLU QB 1 83 VAL H . . 4.500 2.795 2.626 3.013 . 0 0 "[ . 1 . 2 ]" 1 425 1 78 LEU QB 1 83 VAL H 5.500 . 5.500 3.702 3.163 4.070 . 0 0 "[ . 1 . 2 ]" 1 426 1 83 VAL H 1 83 VAL QG 2.800 . 2.800 2.196 2.002 2.463 . 0 0 "[ . 1 . 2 ]" 1 427 1 78 LEU QD 1 83 VAL H 3.500 . 3.500 3.324 3.019 3.563 0.063 6 0 "[ . 1 . 2 ]" 1 428 1 23 ASP H 1 54 LYS H 5.500 . 5.500 4.128 4.054 4.177 . 0 0 "[ . 1 . 2 ]" 1 429 1 22 ALA HA 1 54 LYS H 5.500 . 5.500 5.193 5.077 5.344 . 0 0 "[ . 1 . 2 ]" 1 430 1 53 VAL HA 1 54 LYS H 2.800 . 2.800 2.200 2.142 2.259 . 0 0 "[ . 1 . 2 ]" 1 431 1 5 LYS HA 1 54 LYS H 3.500 . 3.500 2.500 2.201 2.984 . 0 0 "[ . 1 . 2 ]" 1 432 1 3 ILE HA 1 54 LYS H 4.500 . 4.500 4.551 4.391 4.635 0.135 1 0 "[ . 1 . 2 ]" 1 433 1 4 VAL HB 1 54 LYS H 5.500 . 5.500 4.197 4.066 4.333 . 0 0 "[ . 1 . 2 ]" 1 434 1 5 LYS QD 1 54 LYS H 5.500 . 5.500 4.984 3.868 5.516 0.016 21 0 "[ . 1 . 2 ]" 1 435 1 53 VAL HB 1 54 LYS H 4.500 . 4.500 4.079 3.739 4.373 . 0 0 "[ . 1 . 2 ]" 1 436 1 54 LYS H 1 54 LYS QG 4.500 . 4.500 2.917 2.331 4.072 . 0 0 "[ . 1 . 2 ]" 1 437 1 6 ALA MB 1 54 LYS H 4.500 . 4.500 4.250 3.945 4.535 0.035 5 0 "[ . 1 . 2 ]" 1 438 1 4 VAL QG 1 54 LYS H 4.500 . 4.500 4.307 4.118 4.451 . 0 0 "[ . 1 . 2 ]" 1 439 1 53 VAL QG 1 54 LYS H 4.500 . 4.500 2.765 2.394 3.779 . 0 0 "[ . 1 . 2 ]" 1 440 1 3 ILE MG 1 54 LYS H 4.500 . 4.500 3.508 3.077 3.838 . 0 0 "[ . 1 . 2 ]" 1 441 1 22 ALA HA 1 53 VAL H 2.800 . 2.800 2.510 2.269 2.832 0.032 1 0 "[ . 1 . 2 ]" 1 442 1 52 ILE HA 1 53 VAL H 2.800 . 2.800 2.199 2.129 2.257 . 0 0 "[ . 1 . 2 ]" 1 443 1 51 LYS QD 1 53 VAL H 5.500 . 5.500 3.923 3.672 4.089 . 0 0 "[ . 1 . 2 ]" 1 444 1 53 VAL H 1 53 VAL HB 3.500 . 3.500 2.957 2.787 3.633 0.133 17 0 "[ . 1 . 2 ]" 1 445 1 21 LEU QB 1 53 VAL H 3.500 . 3.500 3.532 3.344 3.614 0.114 1 0 "[ . 1 . 2 ]" 1 446 1 52 ILE MG 1 53 VAL H 3.500 . 3.500 2.523 2.391 2.735 . 0 0 "[ . 1 . 2 ]" 1 447 1 3 ILE MG 1 53 VAL H 4.500 . 4.500 3.305 2.638 3.468 . 0 0 "[ . 1 . 2 ]" 1 448 1 53 VAL H 1 53 VAL QG 2.800 . 2.800 2.663 2.123 2.816 0.016 5 0 "[ . 1 . 2 ]" 1 449 1 25 TRP HE1 1 55 ILE H 4.500 . 4.500 4.563 4.529 4.761 0.261 1 0 "[ . 1 . 2 ]" 1 450 1 54 LYS H 1 55 ILE H 4.500 . 4.500 4.561 4.458 4.610 0.110 17 0 "[ . 1 . 2 ]" 1 451 1 24 PHE QD 1 55 ILE H 4.500 . 4.500 4.560 4.461 4.620 0.120 2 0 "[ . 1 . 2 ]" 1 452 1 24 PHE HA 1 55 ILE H 3.500 . 3.500 2.690 2.581 2.814 . 0 0 "[ . 1 . 2 ]" 1 453 1 54 LYS HA 1 55 ILE H 2.800 . 2.800 2.283 2.188 2.370 . 0 0 "[ . 1 . 2 ]" 1 454 1 23 ASP QB 1 55 ILE H 4.500 . 4.500 4.352 4.185 4.564 0.064 18 0 "[ . 1 . 2 ]" 1 455 1 23 ASP QB 1 55 ILE H 4.500 . 4.500 3.640 3.326 3.760 . 0 0 "[ . 1 . 2 ]" 1 456 1 54 LYS QB 1 55 ILE H 4.500 . 4.500 2.731 2.536 3.525 . 0 0 "[ . 1 . 2 ]" 1 457 1 54 LYS QG 1 55 ILE H 4.500 . 4.500 3.066 2.423 3.316 . 0 0 "[ . 1 . 2 ]" 1 458 1 55 ILE H 1 55 ILE HB 3.500 . 3.500 2.448 2.381 2.551 . 0 0 "[ . 1 . 2 ]" 1 459 1 55 ILE H 1 55 ILE MG 3.500 . 3.500 3.605 3.573 3.770 0.270 1 0 "[ . 1 . 2 ]" 1 460 1 55 ILE H 1 56 ASP H 5.500 . 5.500 4.207 4.099 4.298 . 0 0 "[ . 1 . 2 ]" 1 461 1 25 TRP HE1 1 56 ASP H 5.500 . 5.500 3.794 3.575 4.174 . 0 0 "[ . 1 . 2 ]" 1 462 1 56 ASP H 1 60 ASN H 5.500 . 5.500 3.230 2.156 4.094 . 0 0 "[ . 1 . 2 ]" 1 463 1 55 ILE HA 1 56 ASP H 2.800 . 2.800 2.203 2.135 2.255 . 0 0 "[ . 1 . 2 ]" 1 464 1 56 ASP H 1 56 ASP QB 2.800 . 2.800 2.304 2.235 2.355 . 0 0 "[ . 1 . 2 ]" 1 465 1 55 ILE QG 1 56 ASP H 5.500 . 5.500 4.640 4.513 4.731 . 0 0 "[ . 1 . 2 ]" 1 466 1 6 ALA MB 1 56 ASP H 4.500 . 4.500 3.815 3.616 3.909 . 0 0 "[ . 1 . 2 ]" 1 467 1 55 ILE MG 1 56 ASP H 5.500 . 5.500 2.878 2.636 3.159 . 0 0 "[ . 1 . 2 ]" 1 468 1 56 ASP H 1 57 VAL H 5.500 . 5.500 4.202 3.741 4.384 . 0 0 "[ . 1 . 2 ]" 1 469 1 25 TRP HD1 1 57 VAL H 5.500 . 5.500 4.274 4.004 4.523 . 0 0 "[ . 1 . 2 ]" 1 470 1 57 VAL H 1 61 GLN HA 4.500 . 4.500 4.865 4.809 5.236 0.736 1 1 "[+ . 1 . 2 ]" 1 471 1 56 ASP HA 1 57 VAL H 3.500 . 3.500 2.229 2.170 2.288 . 0 0 "[ . 1 . 2 ]" 1 472 1 56 ASP QB 1 57 VAL H 4.500 . 4.500 3.732 3.608 3.784 . 0 0 "[ . 1 . 2 ]" 1 473 1 57 VAL H 1 57 VAL QG 3.500 . 3.500 1.962 1.780 2.045 0.020 18 0 "[ . 1 . 2 ]" 1 474 1 55 ILE MG 1 57 VAL H 5.500 . 5.500 3.287 2.679 3.613 . 0 0 "[ . 1 . 2 ]" 1 475 1 58 ASP H 1 60 ASN H 4.500 . 4.500 2.815 2.421 4.088 . 0 0 "[ . 1 . 2 ]" 1 476 1 58 ASP H 1 59 GLU H 2.800 . 2.800 2.021 1.793 2.807 0.007 13 0 "[ . 1 . 2 ]" 1 477 1 58 ASP H 1 59 GLU HA 5.500 . 5.500 4.564 4.374 5.474 . 0 0 "[ . 1 . 2 ]" 1 478 1 56 ASP HA 1 58 ASP H 4.500 . 4.500 4.078 3.793 4.294 . 0 0 "[ . 1 . 2 ]" 1 479 1 26 ALA HA 1 58 ASP H 5.500 . 5.500 5.243 3.840 5.563 0.063 8 0 "[ . 1 . 2 ]" 1 480 1 57 VAL HB 1 58 ASP H 5.500 . 5.500 4.295 2.662 4.512 . 0 0 "[ . 1 . 2 ]" 1 481 1 56 ASP QB 1 58 ASP H 4.500 . 4.500 2.808 2.614 3.773 . 0 0 "[ . 1 . 2 ]" 1 482 1 58 ASP H 1 59 GLU QB . . 4.500 3.706 3.386 4.428 . 0 0 "[ . 1 . 2 ]" 1 483 1 57 VAL QG 1 58 ASP H . . 3.500 3.613 2.230 3.827 0.327 15 0 "[ . 1 . 2 ]" 1 484 1 26 ALA MB 1 58 ASP H 4.500 . 4.500 3.641 3.350 4.578 0.078 17 0 "[ . 1 . 2 ]" 1 485 1 55 ILE MG 1 58 ASP H 5.500 . 5.500 4.568 4.263 5.187 . 0 0 "[ . 1 . 2 ]" 1 486 1 59 GLU H 1 60 ASN QD 5.500 . 5.500 5.395 4.982 5.580 0.080 1 0 "[ . 1 . 2 ]" 1 487 1 59 GLU H 1 60 ASN H 2.800 . 2.800 2.372 2.072 2.612 . 0 0 "[ . 1 . 2 ]" 1 488 1 58 ASP HA 1 59 GLU H 4.500 . 4.500 3.641 3.505 3.703 . 0 0 "[ . 1 . 2 ]" 1 489 1 57 VAL HA 1 59 GLU H 5.500 . 5.500 4.452 4.035 4.708 . 0 0 "[ . 1 . 2 ]" 1 490 1 58 ASP QB 1 59 GLU H . . 2.800 2.667 2.562 2.880 0.080 13 0 "[ . 1 . 2 ]" 1 491 1 59 GLU H 1 59 GLU QG 3.500 . 3.500 3.592 3.538 3.964 0.464 1 0 "[ . 1 . 2 ]" 1 492 1 59 GLU H 1 59 GLU QB 3.500 . 3.500 2.019 1.914 2.190 . 0 0 "[ . 1 . 2 ]" 1 493 1 59 GLU H 1 59 GLU QB 2.800 . 2.800 2.030 1.921 2.201 . 0 0 "[ . 1 . 2 ]" 1 494 1 60 ASN H 1 61 GLN H 4.500 . 4.500 2.562 2.469 2.792 . 0 0 "[ . 1 . 2 ]" 1 495 1 60 ASN H 1 60 ASN QD 4.500 . 4.500 4.028 3.459 4.383 . 0 0 "[ . 1 . 2 ]" 1 496 1 58 ASP HA 1 60 ASN H 5.500 . 5.500 4.670 4.485 4.901 . 0 0 "[ . 1 . 2 ]" 1 497 1 59 GLU HA 1 60 ASN H 3.500 . 3.500 3.547 3.521 3.595 0.095 1 0 "[ . 1 . 2 ]" 1 498 1 60 ASN H 1 61 GLN HA 4.500 . 4.500 4.132 3.944 4.466 . 0 0 "[ . 1 . 2 ]" 1 499 1 55 ILE HB 1 60 ASN H 5.500 . 5.500 4.772 4.326 4.948 . 0 0 "[ . 1 . 2 ]" 1 500 1 58 ASP QB 1 60 ASN H 3.500 . 3.500 2.745 2.394 3.188 . 0 0 "[ . 1 . 2 ]" 1 501 1 59 GLU QG 1 60 ASN H 4.500 . 4.500 3.031 2.838 3.721 . 0 0 "[ . 1 . 2 ]" 1 502 1 59 GLU QB 1 60 ASN H 4.500 . 4.500 2.586 2.245 2.859 . 0 0 "[ . 1 . 2 ]" 1 503 1 59 GLU QB 1 60 ASN H 3.500 . 3.500 2.855 2.317 3.158 . 0 0 "[ . 1 . 2 ]" 1 504 1 61 GLN H 1 62 GLU H 2.800 . 2.800 2.730 2.665 2.943 0.143 1 0 "[ . 1 . 2 ]" 1 505 1 61 GLN H 1 63 THR H 5.500 . 5.500 5.198 4.574 5.438 . 0 0 "[ . 1 . 2 ]" 1 506 1 60 ASN HA 1 61 GLN H 2.800 . 2.800 2.765 2.545 3.017 0.217 1 0 "[ . 1 . 2 ]" 1 507 1 61 GLN H 1 61 GLN HA 2.800 . 2.800 2.833 2.823 2.847 0.047 10 0 "[ . 1 . 2 ]" 1 508 1 61 GLN H 1 62 GLU HA 5.500 . 5.500 5.024 4.832 5.293 . 0 0 "[ . 1 . 2 ]" 1 509 1 60 ASN QB 1 61 GLN H 4.500 . 4.500 3.922 3.805 4.038 . 0 0 "[ . 1 . 2 ]" 1 510 1 61 GLN H 1 61 GLN QG 2.800 . 2.800 2.444 2.003 2.852 0.052 15 0 "[ . 1 . 2 ]" 1 511 1 61 GLN H 1 61 GLN QB 2.800 . 2.800 2.329 2.108 2.665 . 0 0 "[ . 1 . 2 ]" 1 512 1 61 GLN H 1 62 GLU QB 4.500 . 4.500 4.600 4.546 5.052 0.552 1 1 "[+ . 1 . 2 ]" 1 513 1 62 GLU H 1 63 THR H 3.500 . 3.500 2.963 2.773 3.068 . 0 0 "[ . 1 . 2 ]" 1 514 1 62 GLU H 1 64 ALA H 5.500 . 5.500 4.108 3.995 4.214 . 0 0 "[ . 1 . 2 ]" 1 515 1 60 ASN HA 1 62 GLU H 4.500 . 4.500 3.118 2.857 3.285 . 0 0 "[ . 1 . 2 ]" 1 516 1 61 GLN HA 1 62 GLU H 4.500 . 4.500 3.321 3.236 3.391 . 0 0 "[ . 1 . 2 ]" 1 517 1 62 GLU H 1 62 GLU HA 2.800 . 2.800 2.780 2.732 2.827 0.027 1 0 "[ . 1 . 2 ]" 1 518 1 62 GLU H 1 63 THR HA 5.500 . 5.500 5.510 5.417 5.563 0.063 20 0 "[ . 1 . 2 ]" 1 519 1 8 ASP QB 1 62 GLU H 5.500 . 5.500 3.882 3.591 4.112 . 0 0 "[ . 1 . 2 ]" 1 520 1 61 GLN QG 1 62 GLU H 5.500 . 5.500 3.147 3.008 3.334 . 0 0 "[ . 1 . 2 ]" 1 521 1 62 GLU H 1 62 GLU QG 3.500 . 3.500 2.588 2.196 3.281 . 0 0 "[ . 1 . 2 ]" 1 522 1 62 GLU H 1 62 GLU QB 2.800 . 2.800 2.175 2.068 2.415 . 0 0 "[ . 1 . 2 ]" 1 523 1 63 THR H 1 65 GLY H 5.500 . 5.500 4.961 4.514 5.169 . 0 0 "[ . 1 . 2 ]" 1 524 1 63 THR H 1 64 ALA H 3.500 . 3.500 2.747 2.395 2.823 . 0 0 "[ . 1 . 2 ]" 1 525 1 62 GLU HA 1 63 THR H 4.500 . 4.500 3.638 3.572 3.658 . 0 0 "[ . 1 . 2 ]" 1 526 1 63 THR H 1 63 THR HB 3.500 . 3.500 2.461 2.216 2.710 . 0 0 "[ . 1 . 2 ]" 1 527 1 62 GLU QB 1 63 THR H 3.500 . 3.500 2.559 2.369 2.896 . 0 0 "[ . 1 . 2 ]" 1 528 1 55 ILE QG 1 63 THR H 5.500 . 5.500 5.011 4.762 5.347 . 0 0 "[ . 1 . 2 ]" 1 529 1 63 THR H 1 63 THR MG . . 4.500 3.724 3.682 3.784 . 0 0 "[ . 1 . 2 ]" 1 530 1 64 ALA H 1 65 GLY H 4.500 . 4.500 2.796 2.676 3.084 . 0 0 "[ . 1 . 2 ]" 1 531 1 61 GLN HA 1 64 ALA H 5.500 . 5.500 3.277 2.601 3.453 . 0 0 "[ . 1 . 2 ]" 1 532 1 62 GLU HA 1 64 ALA H 5.500 . 5.500 4.177 4.025 4.414 . 0 0 "[ . 1 . 2 ]" 1 533 1 63 THR HA 1 64 ALA H 3.500 . 3.500 3.538 3.508 3.561 0.061 1 0 "[ . 1 . 2 ]" 1 534 1 63 THR HB 1 64 ALA H 2.800 . 2.800 2.483 2.326 2.724 . 0 0 "[ . 1 . 2 ]" 1 535 1 64 ALA H 1 64 ALA MB 2.800 . 2.800 2.173 2.135 2.212 . 0 0 "[ . 1 . 2 ]" 1 536 1 63 THR MG 1 64 ALA H 4.500 . 4.500 3.660 3.546 3.843 . 0 0 "[ . 1 . 2 ]" 1 537 1 61 GLN QE 1 65 GLY H 3.500 . 3.500 2.740 2.284 3.036 . 0 0 "[ . 1 . 2 ]" 1 538 1 65 GLY H 1 67 TYR H 5.500 . 5.500 4.537 4.404 4.660 . 0 0 "[ . 1 . 2 ]" 1 539 1 61 GLN HA 1 65 GLY H 5.500 . 5.500 4.350 3.738 4.715 . 0 0 "[ . 1 . 2 ]" 1 540 1 62 GLU HA 1 65 GLY H 4.500 . 4.500 4.086 3.590 4.549 0.049 11 0 "[ . 1 . 2 ]" 1 541 1 65 GLY H 1 65 GLY QA 2.800 . 2.800 2.192 2.180 2.202 . 0 0 "[ . 1 . 2 ]" 1 542 1 63 THR HB 1 65 GLY H 3.500 . 3.500 3.536 3.524 3.557 0.057 1 0 "[ . 1 . 2 ]" 1 543 1 62 GLU QB 1 65 GLY H 5.500 . 5.500 5.112 4.774 5.411 . 0 0 "[ . 1 . 2 ]" 1 544 1 65 GLY H 1 66 LYS QB 5.500 . 5.500 4.739 4.416 4.852 . 0 0 "[ . 1 . 2 ]" 1 545 1 64 ALA MB 1 65 GLY H 2.800 . 2.800 2.033 1.934 2.305 . 0 0 "[ . 1 . 2 ]" 1 546 1 65 GLY H 1 69 VAL QG 5.500 . 5.500 4.377 3.623 4.943 . 0 0 "[ . 1 . 2 ]" 1 547 1 66 LYS H 1 68 GLY H 5.500 . 5.500 3.991 3.759 4.126 . 0 0 "[ . 1 . 2 ]" 1 548 1 66 LYS H 1 67 TYR H 2.800 . 2.800 2.821 2.804 2.882 0.082 1 0 "[ . 1 . 2 ]" 1 549 1 62 GLU HA 1 66 LYS H 5.500 . 5.500 3.888 3.763 4.154 . 0 0 "[ . 1 . 2 ]" 1 550 1 65 GLY QA 1 66 LYS H 2.800 . 2.800 2.475 2.447 2.505 . 0 0 "[ . 1 . 2 ]" 1 551 1 63 THR HB 1 66 LYS H 4.500 . 4.500 4.308 4.234 4.410 . 0 0 "[ . 1 . 2 ]" 1 552 1 66 LYS H 1 66 LYS QB 2.800 . 2.800 2.180 2.140 2.213 . 0 0 "[ . 1 . 2 ]" 1 553 1 66 LYS H 1 66 LYS QD 5.500 . 5.500 4.687 4.577 4.831 . 0 0 "[ . 1 . 2 ]" 1 554 1 64 ALA MB 1 66 LYS H 5.500 . 5.500 4.382 4.277 4.481 . 0 0 "[ . 1 . 2 ]" 1 555 1 66 LYS H 1 66 LYS QG 4.500 . 4.500 3.974 3.956 4.008 . 0 0 "[ . 1 . 2 ]" 1 556 1 63 THR MG 1 66 LYS H 5.500 . 5.500 5.026 4.808 5.322 . 0 0 "[ . 1 . 2 ]" 1 557 1 67 TYR H 1 68 GLY H 2.800 . 2.800 2.532 2.370 2.628 . 0 0 "[ . 1 . 2 ]" 1 558 1 67 TYR H 1 67 TYR HA 2.800 . 2.800 2.867 2.840 2.903 0.103 14 0 "[ . 1 . 2 ]" 1 559 1 65 GLY QA 1 67 TYR H 3.500 . 3.500 3.426 3.387 3.453 . 0 0 "[ . 1 . 2 ]" 1 560 1 64 ALA HA 1 67 TYR H 3.500 . 3.500 3.566 3.514 3.626 0.126 1 0 "[ . 1 . 2 ]" 1 561 1 67 TYR H 1 67 TYR QB 2.800 . 2.800 2.211 2.107 2.257 . 0 0 "[ . 1 . 2 ]" 1 562 1 66 LYS QB 1 67 TYR H . . 3.500 2.617 2.433 2.726 . 0 0 "[ . 1 . 2 ]" 1 563 1 66 LYS QG 1 67 TYR H 5.500 . 5.500 3.372 3.070 3.527 . 0 0 "[ . 1 . 2 ]" 1 564 1 67 TYR H 1 69 VAL QG 4.500 . 4.500 3.924 3.398 4.475 . 0 0 "[ . 1 . 2 ]" 1 565 1 68 GLY H 1 69 VAL H 2.800 . 2.800 2.596 2.188 2.808 0.008 21 0 "[ . 1 . 2 ]" 1 566 1 67 TYR HA 1 68 GLY H 4.500 . 4.500 3.478 3.317 3.541 . 0 0 "[ . 1 . 2 ]" 1 567 1 68 GLY H 1 68 GLY QA 2.800 . 2.800 2.277 2.195 2.361 . 0 0 "[ . 1 . 2 ]" 1 568 1 67 TYR QB 1 68 GLY H 5.500 . 5.500 3.022 2.577 3.543 . 0 0 "[ . 1 . 2 ]" 1 569 1 67 TYR QB 1 68 GLY H 4.500 . 4.500 3.014 2.575 3.520 . 0 0 "[ . 1 . 2 ]" 1 570 1 66 LYS QB 1 68 GLY H 4.500 . 4.500 3.848 3.588 4.325 . 0 0 "[ . 1 . 2 ]" 1 571 1 68 GLY H 1 69 VAL QG 4.500 . 4.500 3.408 3.005 3.962 . 0 0 "[ . 1 . 2 ]" 1 572 1 69 VAL H 1 70 MET H 4.500 . 4.500 3.191 2.047 4.575 0.075 1 0 "[ . 1 . 2 ]" 1 573 1 67 TYR H 1 69 VAL H 4.500 . 4.500 4.501 3.813 4.631 0.131 18 0 "[ . 1 . 2 ]" 1 574 1 65 GLY QA 1 69 VAL H 2.800 . 2.800 2.364 2.210 2.807 0.007 1 0 "[ . 1 . 2 ]" 1 575 1 68 GLY QA 1 69 VAL H 2.800 . 2.800 2.481 2.369 2.906 0.106 1 0 "[ . 1 . 2 ]" 1 576 1 69 VAL H 1 69 VAL HB 3.500 . 3.500 2.819 2.334 3.700 0.200 21 0 "[ . 1 . 2 ]" 1 577 1 64 ALA MB 1 69 VAL H 4.500 . 4.500 4.053 3.751 4.196 . 0 0 "[ . 1 . 2 ]" 1 578 1 69 VAL H 1 69 VAL QG 3.500 . 3.500 2.881 2.097 3.144 . 0 0 "[ . 1 . 2 ]" 1 579 1 70 MET H 1 71 SER H 2.800 . 2.800 2.446 1.921 2.938 0.138 8 0 "[ . 1 . 2 ]" 1 580 1 69 VAL HA 1 70 MET H 3.500 . 3.500 2.832 2.183 3.518 0.018 18 0 "[ . 1 . 2 ]" 1 581 1 70 MET H 1 70 MET QG . . 3.500 2.877 2.424 3.517 0.017 10 0 "[ . 1 . 2 ]" 1 582 1 69 VAL QG 1 70 MET H 3.500 . 3.500 2.538 2.052 2.888 . 0 0 "[ . 1 . 2 ]" 1 583 1 71 SER H 1 72 ILE H 4.500 . 4.500 4.479 4.356 4.540 0.040 21 0 "[ . 1 . 2 ]" 1 584 1 71 SER H 1 71 SER HA 2.800 . 2.800 2.936 2.854 2.966 0.166 1 0 "[ . 1 . 2 ]" 1 585 1 70 MET HA 1 71 SER H 3.500 . 3.500 3.117 2.913 3.259 . 0 0 "[ . 1 . 2 ]" 1 586 1 69 VAL HA 1 71 SER H 2.800 . 2.800 2.874 2.534 3.018 0.218 18 0 "[ . 1 . 2 ]" 1 587 1 70 MET QB 1 71 SER H 4.500 . 4.500 3.905 3.580 4.125 . 0 0 "[ . 1 . 2 ]" 1 588 1 69 VAL HB 1 71 SER H 5.500 . 5.500 4.376 3.402 4.882 . 0 0 "[ . 1 . 2 ]" 1 589 1 69 VAL QG 1 71 SER H 2.800 . 2.800 2.350 2.035 2.573 . 0 0 "[ . 1 . 2 ]" 1 590 1 71 SER HA 1 72 ILE H 2.800 . 2.800 2.427 2.378 2.514 . 0 0 "[ . 1 . 2 ]" 1 591 1 71 SER QB 1 72 ILE H 4.500 . 4.500 2.542 2.202 2.768 . 0 0 "[ . 1 . 2 ]" 1 592 1 72 ILE H 1 72 ILE QG 4.500 . 4.500 2.682 2.232 3.605 . 0 0 "[ . 1 . 2 ]" 1 593 1 72 ILE H 1 72 ILE MG 4.500 . 4.500 3.562 3.203 3.821 . 0 0 "[ . 1 . 2 ]" 1 594 1 72 ILE H 1 72 ILE MD 4.500 . 4.500 3.559 2.818 4.500 0.000 15 0 "[ . 1 . 2 ]" 1 595 1 24 PHE H 1 74 THR H 5.500 . 5.500 3.006 2.838 3.240 . 0 0 "[ . 1 . 2 ]" 1 596 1 24 PHE QD 1 74 THR H 5.500 . 5.500 4.217 4.093 4.376 . 0 0 "[ . 1 . 2 ]" 1 597 1 73 PRO HA 1 74 THR H 3.500 . 3.500 2.263 2.214 2.417 . 0 0 "[ . 1 . 2 ]" 1 598 1 72 ILE HA 1 74 THR H 4.500 . 4.500 2.917 2.606 3.471 . 0 0 "[ . 1 . 2 ]" 1 599 1 24 PHE QB 1 74 THR H 5.500 . 5.500 2.278 2.179 2.467 . 0 0 "[ . 1 . 2 ]" 1 600 1 72 ILE HB 1 74 THR H 4.500 . 4.500 4.306 4.137 4.452 . 0 0 "[ . 1 . 2 ]" 1 601 1 35 ILE MD 1 74 THR H 5.500 . 5.500 4.284 4.019 4.794 . 0 0 "[ . 1 . 2 ]" 1 602 1 72 ILE MG 1 74 THR H 3.500 . 3.500 3.512 3.324 3.982 0.482 1 0 "[ . 1 . 2 ]" 1 603 1 75 LEU H 1 87 SER H 4.500 . 4.500 2.921 2.675 3.231 . 0 0 "[ . 1 . 2 ]" 1 604 1 75 LEU H 1 76 LEU H 5.500 . 5.500 4.243 3.857 4.358 . 0 0 "[ . 1 . 2 ]" 1 605 1 75 LEU H 1 89 GLY H 4.500 . 4.500 4.534 4.347 4.660 0.160 1 0 "[ . 1 . 2 ]" 1 606 1 74 THR HA 1 75 LEU H 2.800 . 2.800 2.213 2.151 2.296 . 0 0 "[ . 1 . 2 ]" 1 607 1 75 LEU H 1 88 VAL HA 4.500 . 4.500 3.532 3.240 3.730 . 0 0 "[ . 1 . 2 ]" 1 608 1 75 LEU H 1 87 SER QB 5.500 . 5.500 3.749 3.317 4.794 . 0 0 "[ . 1 . 2 ]" 1 609 1 75 LEU H 1 75 LEU QB 3.500 . 3.500 2.495 2.420 2.575 . 0 0 "[ . 1 . 2 ]" 1 610 1 74 THR MG 1 75 LEU H 3.500 . 3.500 2.262 2.103 2.390 . 0 0 "[ . 1 . 2 ]" 1 611 1 75 LEU H 1 75 LEU QD 3.500 . 3.500 3.312 3.212 3.455 . 0 0 "[ . 1 . 2 ]" 1 612 1 69 VAL QG 1 75 LEU H 4.500 . 4.500 3.610 3.464 3.817 . 0 0 "[ . 1 . 2 ]" 1 613 1 22 ALA H 1 76 LEU H 4.500 . 4.500 3.274 3.001 3.611 . 0 0 "[ . 1 . 2 ]" 1 614 1 24 PHE QD 1 76 LEU H 5.500 . 5.500 3.661 3.205 3.886 . 0 0 "[ . 1 . 2 ]" 1 615 1 75 LEU HA 1 76 LEU H 2.800 . 2.800 2.177 2.125 2.225 . 0 0 "[ . 1 . 2 ]" 1 616 1 76 LEU H 1 76 LEU HA 2.800 . 2.800 2.946 2.931 2.987 0.187 1 0 "[ . 1 . 2 ]" 1 617 1 23 ASP HA 1 76 LEU H 4.500 . 4.500 3.647 3.443 3.795 . 0 0 "[ . 1 . 2 ]" 1 618 1 74 THR HA 1 76 LEU H 5.500 . 5.500 4.343 4.201 4.648 . 0 0 "[ . 1 . 2 ]" 1 619 1 76 LEU H 1 76 LEU QB 3.500 . 3.500 2.772 2.570 2.915 . 0 0 "[ . 1 . 2 ]" 1 620 1 75 LEU QB 1 76 LEU H 4.500 . 4.500 3.381 2.804 4.008 . 0 0 "[ . 1 . 2 ]" 1 621 1 22 ALA MB 1 76 LEU H 3.500 . 3.500 3.046 2.905 3.363 . 0 0 "[ . 1 . 2 ]" 1 622 1 75 LEU QD 1 76 LEU H 4.500 . 4.500 3.022 2.438 3.195 . 0 0 "[ . 1 . 2 ]" 1 623 1 76 LEU H 1 76 LEU HG 3.500 . 3.500 3.129 2.656 3.377 . 0 0 "[ . 1 . 2 ]" 1 624 1 21 LEU QD 1 76 LEU H 3.500 . 3.500 2.995 2.455 3.285 . 0 0 "[ . 1 . 2 ]" 1 625 1 23 ASP H 1 76 LEU H 5.500 . 5.500 4.814 4.642 5.075 . 0 0 "[ . 1 . 2 ]" 1 626 1 77 VAL H 1 78 LEU H 5.500 . 5.500 4.448 4.327 4.598 . 0 0 "[ . 1 . 2 ]" 1 627 1 77 VAL H 1 84 VAL H 4.500 . 4.500 3.945 3.793 4.048 . 0 0 "[ . 1 . 2 ]" 1 628 1 77 VAL H 1 85 GLU H 3.500 . 3.500 3.203 3.097 3.326 . 0 0 "[ . 1 . 2 ]" 1 629 1 75 LEU HA 1 77 VAL H 5.500 . 5.500 5.579 5.504 5.765 0.265 1 0 "[ . 1 . 2 ]" 1 630 1 76 LEU HA 1 77 VAL H 2.800 . 2.800 2.214 2.185 2.244 . 0 0 "[ . 1 . 2 ]" 1 631 1 77 VAL H 1 86 THR HA 3.500 . 3.500 3.152 2.966 3.294 . 0 0 "[ . 1 . 2 ]" 1 632 1 77 VAL H 1 85 GLU HA 5.500 . 5.500 4.818 4.693 4.932 . 0 0 "[ . 1 . 2 ]" 1 633 1 77 VAL H 1 83 VAL HA 5.500 . 5.500 4.632 4.438 4.798 . 0 0 "[ . 1 . 2 ]" 1 634 1 76 LEU QB 1 77 VAL H 4.500 . 4.500 3.451 3.148 3.540 . 0 0 "[ . 1 . 2 ]" 1 635 1 76 LEU QD 1 77 VAL H 5.500 . 5.500 2.842 2.633 3.034 . 0 0 "[ . 1 . 2 ]" 1 636 1 77 VAL H 1 77 VAL QG 2.800 . 2.800 2.293 2.161 2.564 . 0 0 "[ . 1 . 2 ]" 1 637 1 77 VAL H 1 84 VAL QG 5.500 . 5.500 4.507 4.362 4.666 . 0 0 "[ . 1 . 2 ]" 1 638 1 76 LEU H 1 77 VAL H 5.500 . 5.500 4.026 3.894 4.410 . 0 0 "[ . 1 . 2 ]" 1 639 1 78 LEU H 1 79 LYS H 5.500 . 5.500 4.476 4.427 4.520 . 0 0 "[ . 1 . 2 ]" 1 640 1 51 LYS H 1 78 LEU H 5.500 . 5.500 5.020 4.911 5.125 . 0 0 "[ . 1 . 2 ]" 1 641 1 21 LEU HA 1 78 LEU H 2.800 . 2.800 2.764 2.616 2.864 0.064 13 0 "[ . 1 . 2 ]" 1 642 1 20 VAL HA 1 78 LEU H 5.500 . 5.500 4.965 4.881 5.079 . 0 0 "[ . 1 . 2 ]" 1 643 1 77 VAL HA 1 78 LEU H 2.800 . 2.800 2.211 2.153 2.282 . 0 0 "[ . 1 . 2 ]" 1 644 1 20 VAL HB 1 78 LEU H 5.500 . 5.500 4.195 3.555 5.578 0.078 17 0 "[ . 1 . 2 ]" 1 645 1 78 LEU H 1 78 LEU QB 3.500 . 3.500 2.529 2.380 2.757 . 0 0 "[ . 1 . 2 ]" 1 646 1 21 LEU QB 1 78 LEU H 5.500 . 5.500 4.244 4.030 4.434 . 0 0 "[ . 1 . 2 ]" 1 647 1 77 VAL QG 1 78 LEU H 2.800 . 2.800 2.399 2.181 2.686 . 0 0 "[ . 1 . 2 ]" 1 648 1 79 LYS H 1 80 ASP H 4.500 . 4.500 3.761 3.624 3.877 . 0 0 "[ . 1 . 2 ]" 1 649 1 79 LYS H 1 82 GLU H 2.800 . 2.800 2.795 2.699 2.846 0.046 13 0 "[ . 1 . 2 ]" 1 650 1 78 LEU HA 1 79 LYS H 2.800 . 2.800 2.302 2.213 2.362 . 0 0 "[ . 1 . 2 ]" 1 651 1 79 LYS H 1 83 VAL HA 4.500 . 4.500 3.880 3.695 4.026 . 0 0 "[ . 1 . 2 ]" 1 652 1 79 LYS H 1 79 LYS QB 3.500 . 3.500 3.062 2.576 3.326 . 0 0 "[ . 1 . 2 ]" 1 653 1 78 LEU QB 1 79 LYS H 2.800 . 2.800 2.602 2.451 2.808 0.008 14 0 "[ . 1 . 2 ]" 1 654 1 79 LYS H 1 84 VAL QG . . 3.500 2.862 2.532 3.221 . 0 0 "[ . 1 . 2 ]" 1 655 1 77 VAL QG 1 79 LYS H 5.500 . 5.500 3.730 3.628 3.813 . 0 0 "[ . 1 . 2 ]" 1 656 1 80 ASP H 1 81 GLY H 3.500 . 3.500 3.058 2.931 3.242 . 0 0 "[ . 1 . 2 ]" 1 657 1 20 VAL H 1 80 ASP H 5.500 . 5.500 4.923 4.523 5.194 . 0 0 "[ . 1 . 2 ]" 1 658 1 79 LYS H 1 80 ASP H 5.500 . 5.500 4.125 4.013 4.211 . 0 0 "[ . 1 . 2 ]" 1 659 1 19 VAL H 1 80 ASP H 5.500 . 5.500 4.932 4.809 5.094 . 0 0 "[ . 1 . 2 ]" 1 660 1 80 ASP H 1 82 GLU H 5.500 . 5.500 4.619 4.543 4.781 . 0 0 "[ . 1 . 2 ]" 1 661 1 79 LYS HA 1 80 ASP H 2.800 . 2.800 2.121 1.997 2.191 . 0 0 "[ . 1 . 2 ]" 1 662 1 17 GLU HA 1 80 ASP H 4.500 . 4.500 3.864 3.723 4.003 . 0 0 "[ . 1 . 2 ]" 1 663 1 80 ASP H 1 80 ASP HA 2.800 . 2.800 2.229 2.203 2.266 . 0 0 "[ . 1 . 2 ]" 1 664 1 16 SER HA 1 80 ASP H 5.500 . 5.500 3.890 3.790 4.034 . 0 0 "[ . 1 . 2 ]" 1 665 1 18 GLY QA 1 80 ASP H 5.500 . 5.500 3.984 3.871 4.168 . 0 0 "[ . 1 . 2 ]" 1 666 1 79 LYS QB 1 80 ASP H . . 3.500 3.108 2.720 3.666 0.166 12 0 "[ . 1 . 2 ]" 1 667 1 19 VAL QG 1 80 ASP H 5.500 . 5.500 3.601 3.294 3.867 . 0 0 "[ . 1 . 2 ]" 1 668 1 79 LYS H 1 81 GLY H 5.500 . 5.500 3.621 3.331 3.925 . 0 0 "[ . 1 . 2 ]" 1 669 1 81 GLY H 1 82 GLU H . . 2.800 2.554 2.407 2.740 . 0 0 "[ . 1 . 2 ]" 1 670 1 19 VAL HA 1 81 GLY H 4.500 . 4.500 3.739 3.465 4.199 . 0 0 "[ . 1 . 2 ]" 1 671 1 17 GLU HA 1 81 GLY H 4.500 . 4.500 4.523 4.323 4.599 0.099 17 0 "[ . 1 . 2 ]" 1 672 1 80 ASP HA 1 81 GLY H 2.800 . 2.800 2.204 2.131 2.344 . 0 0 "[ . 1 . 2 ]" 1 673 1 16 SER HA 1 81 GLY H 4.500 . 4.500 3.130 2.633 3.566 . 0 0 "[ . 1 . 2 ]" 1 674 1 81 GLY H 1 81 GLY QA 2.800 . 2.800 2.282 2.195 2.480 . 0 0 "[ . 1 . 2 ]" 1 675 1 78 LEU QB 1 81 GLY H 4.500 . 4.500 3.528 3.103 3.793 . 0 0 "[ . 1 . 2 ]" 1 676 1 20 VAL QG 1 81 GLY H 5.500 . 5.500 3.870 3.476 4.252 . 0 0 "[ . 1 . 2 ]" 1 677 1 80 ASP H 1 82 GLU H 5.500 . 5.500 4.495 4.441 4.629 . 0 0 "[ . 1 . 2 ]" 1 678 1 78 LEU HA 1 82 GLU H 4.500 . 4.500 4.437 4.243 4.544 0.044 18 0 "[ . 1 . 2 ]" 1 679 1 79 LYS HA 1 82 GLU H 5.500 . 5.500 4.662 4.524 4.849 . 0 0 "[ . 1 . 2 ]" 1 680 1 82 GLU H 1 82 GLU HA 2.800 . 2.800 2.946 2.937 2.959 0.159 1 0 "[ . 1 . 2 ]" 1 681 1 81 GLY QA 1 82 GLU H 2.800 . 2.800 2.935 2.802 3.018 0.218 1 0 "[ . 1 . 2 ]" 1 682 1 16 SER HA 1 82 GLU H 4.500 . 4.500 4.470 4.339 4.522 0.022 3 0 "[ . 1 . 2 ]" 1 683 1 82 GLU H 1 82 GLU QG . . 2.800 2.397 2.234 2.546 . 0 0 "[ . 1 . 2 ]" 1 684 1 82 GLU H 1 82 GLU QB 2.800 . 2.800 2.838 2.806 3.151 0.351 1 0 "[ . 1 . 2 ]" 1 685 1 78 LEU QB 1 82 GLU H 4.500 . 4.500 3.572 3.078 4.209 . 0 0 "[ . 1 . 2 ]" 1 686 1 82 GLU H 1 83 VAL QG 5.500 . 5.500 4.136 3.763 4.721 . 0 0 "[ . 1 . 2 ]" 1 687 1 78 LEU QD 1 82 GLU H 4.500 . 4.500 3.814 3.371 4.308 . 0 0 "[ . 1 . 2 ]" 1 688 1 20 VAL HB 1 82 GLU H 5.500 . 5.500 4.518 3.759 4.802 . 0 0 "[ . 1 . 2 ]" 1 689 1 80 ASP QB 1 82 GLU H 5.500 . 5.500 4.295 4.105 4.714 . 0 0 "[ . 1 . 2 ]" 1 690 1 79 LYS H 1 84 VAL H 4.500 . 4.500 4.343 4.039 4.534 0.034 1 0 "[ . 1 . 2 ]" 1 691 1 77 VAL H 1 84 VAL H 5.500 . 5.500 4.154 3.990 4.295 . 0 0 "[ . 1 . 2 ]" 1 692 1 84 VAL H 1 85 GLU H 2.800 . 2.800 1.870 1.789 1.950 0.011 2 0 "[ . 1 . 2 ]" 1 693 1 78 LEU HA 1 84 VAL H 3.500 . 3.500 2.819 2.611 2.977 . 0 0 "[ . 1 . 2 ]" 1 694 1 83 VAL HA 1 84 VAL H 2.800 . 2.800 2.111 2.065 2.204 . 0 0 "[ . 1 . 2 ]" 1 695 1 77 VAL HB 1 84 VAL H 5.500 . 5.500 3.707 3.451 4.050 . 0 0 "[ . 1 . 2 ]" 1 696 1 78 LEU QB 1 84 VAL H 4.500 . 4.500 3.864 3.631 4.182 . 0 0 "[ . 1 . 2 ]" 1 697 1 83 VAL QG 1 84 VAL H . . 2.800 2.569 2.462 2.668 . 0 0 "[ . 1 . 2 ]" 1 698 1 83 VAL QG 1 84 VAL H 2.800 . 2.800 2.062 2.025 2.108 . 0 0 "[ . 1 . 2 ]" 1 699 1 77 VAL QG 1 84 VAL H 4.500 . 4.500 3.662 3.283 3.835 . 0 0 "[ . 1 . 2 ]" 1 700 1 84 VAL H 1 84 VAL QG 2.800 . 2.800 2.175 2.124 2.274 . 0 0 "[ . 1 . 2 ]" 1 701 1 78 LEU QD 1 84 VAL H 5.500 . 5.500 4.261 3.442 4.688 . 0 0 "[ . 1 . 2 ]" 1 702 1 77 VAL H 1 85 GLU H 3.500 . 3.500 3.121 3.035 3.220 . 0 0 "[ . 1 . 2 ]" 1 703 1 78 LEU HA 1 85 GLU H 4.500 . 4.500 4.305 4.119 4.510 0.010 1 0 "[ . 1 . 2 ]" 1 704 1 77 VAL HA 1 85 GLU H 5.500 . 5.500 4.813 4.758 4.878 . 0 0 "[ . 1 . 2 ]" 1 705 1 85 GLU H 1 86 THR HA 5.500 . 5.500 4.752 4.652 4.842 . 0 0 "[ . 1 . 2 ]" 1 706 1 85 GLU H 1 85 GLU HA 2.800 . 2.800 2.880 2.865 2.902 0.102 9 0 "[ . 1 . 2 ]" 1 707 1 83 VAL HA 1 85 GLU H 3.500 . 3.500 3.618 3.547 3.763 0.263 1 0 "[ . 1 . 2 ]" 1 708 1 77 VAL HB 1 85 GLU H 2.800 . 2.800 2.641 2.384 2.839 0.039 9 0 "[ . 1 . 2 ]" 1 709 1 83 VAL QG 1 85 GLU H 2.800 . 2.800 2.593 2.499 2.697 . 0 0 "[ . 1 . 2 ]" 1 710 1 77 VAL QG 1 85 GLU H 4.500 . 4.500 3.470 3.318 3.603 . 0 0 "[ . 1 . 2 ]" 1 711 1 77 VAL QG 1 85 GLU H 3.500 . 3.500 3.400 3.223 3.535 0.035 18 0 "[ . 1 . 2 ]" 1 712 1 84 VAL QG 1 85 GLU H 2.800 . 2.800 2.664 2.524 2.761 . 0 0 "[ . 1 . 2 ]" 1 713 1 86 THR H 1 87 SER H 4.500 . 4.500 4.282 3.989 4.378 . 0 0 "[ . 1 . 2 ]" 1 714 1 85 GLU HA 1 86 THR H 2.800 . 2.800 2.360 2.296 2.419 . 0 0 "[ . 1 . 2 ]" 1 715 1 86 THR H 1 86 THR HB 3.500 . 3.500 3.178 2.955 3.414 . 0 0 "[ . 1 . 2 ]" 1 716 1 85 GLU QG 1 86 THR H 4.500 . 4.500 3.784 1.824 4.239 . 0 0 "[ . 1 . 2 ]" 1 717 1 76 LEU QD 1 86 THR H 4.500 . 4.500 4.207 4.074 4.329 . 0 0 "[ . 1 . 2 ]" 1 718 1 42 LEU QD 1 48 ASP H 5.500 . 5.500 3.557 3.021 4.372 . 0 0 "[ . 1 . 2 ]" 1 719 1 48 ASP H 1 49 LYS QD 2.800 . 2.800 2.870 2.820 3.307 0.507 1 1 "[+ . 1 . 2 ]" 1 720 1 48 ASP H 1 50 LEU H 4.500 . 4.500 3.526 3.383 3.692 . 0 0 "[ . 1 . 2 ]" 1 721 1 87 SER H 1 88 VAL H 4.500 . 4.500 4.295 4.177 4.405 . 0 0 "[ . 1 . 2 ]" 1 722 1 77 VAL H 1 87 SER H 4.500 . 4.500 4.033 3.759 4.134 . 0 0 "[ . 1 . 2 ]" 1 723 1 76 LEU HA 1 87 SER H 4.500 . 4.500 3.912 3.629 4.096 . 0 0 "[ . 1 . 2 ]" 1 724 1 86 THR HA 1 87 SER H 2.800 . 2.800 2.303 2.192 2.361 . 0 0 "[ . 1 . 2 ]" 1 725 1 86 THR HB 1 87 SER H 4.500 . 4.500 3.674 3.240 4.172 . 0 0 "[ . 1 . 2 ]" 1 726 1 87 SER H 1 87 SER QB 3.500 . 3.500 2.843 2.638 3.311 . 0 0 "[ . 1 . 2 ]" 1 727 1 75 LEU QB 1 87 SER H 4.500 . 4.500 2.946 2.693 3.197 . 0 0 "[ . 1 . 2 ]" 1 728 1 74 THR MG 1 87 SER H 4.500 . 4.500 2.552 2.321 2.964 . 0 0 "[ . 1 . 2 ]" 1 729 1 75 LEU QD 1 87 SER H 5.500 . 5.500 3.474 3.146 4.007 . 0 0 "[ . 1 . 2 ]" 1 730 1 76 LEU QD 1 87 SER H 4.500 . 4.500 3.538 3.301 3.872 . 0 0 "[ . 1 . 2 ]" 1 731 1 74 THR HA 1 88 VAL H 5.500 . 5.500 4.839 4.660 5.068 . 0 0 "[ . 1 . 2 ]" 1 732 1 87 SER HA 1 88 VAL H 2.800 . 2.800 2.273 2.180 2.382 . 0 0 "[ . 1 . 2 ]" 1 733 1 87 SER QB 1 88 VAL H 5.500 . 5.500 2.891 2.448 3.580 . 0 0 "[ . 1 . 2 ]" 1 734 1 88 VAL H 1 91 LYS QE 5.500 . 5.500 5.217 4.407 5.556 0.056 8 0 "[ . 1 . 2 ]" 1 735 1 88 VAL H 1 88 VAL HB 3.500 . 3.500 2.960 2.667 3.676 0.176 15 0 "[ . 1 . 2 ]" 1 736 1 74 THR MG 1 88 VAL H 5.500 . 5.500 4.565 4.270 4.787 . 0 0 "[ . 1 . 2 ]" 1 737 1 88 VAL H 1 88 VAL QG 3.500 . 3.500 2.735 2.167 2.979 . 0 0 "[ . 1 . 2 ]" 1 738 1 89 GLY H 1 90 PHE H . . 4.500 4.271 4.225 4.363 . 0 0 "[ . 1 . 2 ]" 1 739 1 74 THR HA 1 89 GLY H 4.500 . 4.500 3.427 3.169 3.823 . 0 0 "[ . 1 . 2 ]" 1 740 1 88 VAL HA 1 89 GLY H 2.800 . 2.800 2.302 2.094 2.718 . 0 0 "[ . 1 . 2 ]" 1 741 1 73 PRO QG 1 89 GLY H 4.500 . 4.500 2.938 2.500 3.987 . 0 0 "[ . 1 . 2 ]" 1 742 1 88 VAL QG 1 89 GLY H . . 3.500 3.485 2.817 3.870 0.370 1 0 "[ . 1 . 2 ]" 1 743 1 89 GLY QA 1 90 PHE H 3.500 . 3.500 2.274 2.217 2.315 . 0 0 "[ . 1 . 2 ]" 1 744 1 90 PHE H 1 90 PHE HA 2.800 . 2.800 2.853 2.821 2.877 0.077 2 0 "[ . 1 . 2 ]" 1 745 1 90 PHE H 1 90 PHE QB 2.800 . 2.800 2.285 2.112 2.591 . 0 0 "[ . 1 . 2 ]" 1 746 1 35 ILE MD 1 90 PHE H 5.500 . 5.500 4.553 4.460 4.768 . 0 0 "[ . 1 . 2 ]" 1 747 1 90 PHE H 1 91 LYS H 5.500 . 5.500 4.665 4.632 4.695 . 0 0 "[ . 1 . 2 ]" 1 748 1 90 PHE HA 1 91 LYS H 2.800 . 2.800 2.329 2.250 2.464 . 0 0 "[ . 1 . 2 ]" 1 749 1 91 LYS H 1 92 PRO QD 5.500 . 5.500 4.227 4.122 4.298 . 0 0 "[ . 1 . 2 ]" 1 750 1 90 PHE QB 1 91 LYS H 5.500 . 5.500 3.310 2.357 3.621 . 0 0 "[ . 1 . 2 ]" 1 751 1 35 ILE MD 1 91 LYS H 2.800 . 2.800 2.096 1.986 2.272 . 0 0 "[ . 1 . 2 ]" 1 752 1 91 LYS H 1 96 LEU QD 5.500 . 5.500 3.444 3.123 4.170 . 0 0 "[ . 1 . 2 ]" 1 753 1 93 LYS H 1 94 GLU H . . 3.500 3.042 2.807 3.155 . 0 0 "[ . 1 . 2 ]" 1 754 1 92 PRO HA 1 93 LYS H 2.800 . 2.800 2.454 2.414 2.573 . 0 0 "[ . 1 . 2 ]" 1 755 1 92 PRO QB 1 93 LYS H 4.500 . 4.500 2.517 2.257 2.598 . 0 0 "[ . 1 . 2 ]" 1 756 1 93 LYS H 1 93 LYS QB 2.800 . 2.800 2.070 1.963 2.147 . 0 0 "[ . 1 . 2 ]" 1 757 1 93 LYS H 1 93 LYS QD 5.500 . 5.500 4.528 4.368 4.990 . 0 0 "[ . 1 . 2 ]" 1 758 1 38 VAL QG 1 93 LYS H 3.500 . 3.500 2.602 2.340 2.916 . 0 0 "[ . 1 . 2 ]" 1 759 1 94 GLU H 1 97 GLN H 5.500 . 5.500 4.755 4.695 4.843 . 0 0 "[ . 1 . 2 ]" 1 760 1 94 GLU H 1 96 LEU H 4.500 . 4.500 4.067 3.908 4.207 . 0 0 "[ . 1 . 2 ]" 1 761 1 94 GLU H 1 95 ALA H 3.500 . 3.500 2.745 2.512 2.804 . 0 0 "[ . 1 . 2 ]" 1 762 1 92 PRO HA 1 94 GLU H 5.500 . 5.500 4.759 4.635 4.828 . 0 0 "[ . 1 . 2 ]" 1 763 1 94 GLU H 1 95 ALA HA 5.500 . 5.500 5.357 5.187 5.402 . 0 0 "[ . 1 . 2 ]" 1 764 1 94 GLU H 1 94 GLU HA 2.800 . 2.800 2.833 2.819 2.868 0.068 17 0 "[ . 1 . 2 ]" 1 765 1 93 LYS HA 1 94 GLU H 4.500 . 4.500 3.599 3.532 3.627 . 0 0 "[ . 1 . 2 ]" 1 766 1 94 GLU H 1 94 GLU QG 3.500 . 3.500 2.357 2.238 3.411 . 0 0 "[ . 1 . 2 ]" 1 767 1 92 PRO QG 1 94 GLU H 4.500 . 4.500 3.625 3.458 3.808 . 0 0 "[ . 1 . 2 ]" 1 768 1 94 GLU H 1 94 GLU QB 2.800 . 2.800 2.424 2.248 2.584 . 0 0 "[ . 1 . 2 ]" 1 769 1 93 LYS QB 1 94 GLU H 4.500 . 4.500 2.663 2.480 2.818 . 0 0 "[ . 1 . 2 ]" 1 770 1 94 GLU H 1 95 ALA MB 5.500 . 5.500 4.407 4.117 4.467 . 0 0 "[ . 1 . 2 ]" 1 771 1 38 VAL QG 1 94 GLU H 4.500 . 4.500 3.506 2.886 4.094 . 0 0 "[ . 1 . 2 ]" 1 772 1 95 ALA H 1 97 GLN H 5.500 . 5.500 4.271 4.153 4.359 . 0 0 "[ . 1 . 2 ]" 1 773 1 95 ALA H 1 96 LEU H 2.800 . 2.800 2.569 2.503 2.636 . 0 0 "[ . 1 . 2 ]" 1 774 1 95 ALA H 1 98 GLU H 5.500 . 5.500 4.656 4.575 4.720 . 0 0 "[ . 1 . 2 ]" 1 775 1 95 ALA H 1 95 ALA HA 2.800 . 2.800 2.865 2.851 2.892 0.092 1 0 "[ . 1 . 2 ]" 1 776 1 94 GLU HA 1 95 ALA H 4.500 . 4.500 3.597 3.578 3.612 . 0 0 "[ . 1 . 2 ]" 1 777 1 92 PRO QD 1 95 ALA H 4.500 . 4.500 3.610 3.562 3.687 . 0 0 "[ . 1 . 2 ]" 1 778 1 92 PRO QD 1 95 ALA H 5.500 . 5.500 3.764 3.685 3.906 . 0 0 "[ . 1 . 2 ]" 1 779 1 94 GLU QG 1 95 ALA H 4.500 . 4.500 4.212 4.148 4.507 0.007 17 0 "[ . 1 . 2 ]" 1 780 1 92 PRO QB 1 95 ALA H 4.500 . 4.500 3.393 3.330 3.484 . 0 0 "[ . 1 . 2 ]" 1 781 1 92 PRO QG 1 95 ALA H . . 3.500 2.412 2.286 2.553 . 0 0 "[ . 1 . 2 ]" 1 782 1 94 GLU QB 1 95 ALA H 2.800 . 2.800 2.595 2.544 2.697 . 0 0 "[ . 1 . 2 ]" 1 783 1 93 LYS QB 1 95 ALA H 4.500 . 4.500 4.011 3.924 4.099 . 0 0 "[ . 1 . 2 ]" 1 784 1 91 LYS QB 1 95 ALA H 4.500 . 4.500 4.346 4.030 4.524 0.024 16 0 "[ . 1 . 2 ]" 1 785 1 95 ALA H 1 95 ALA MB 2.800 . 2.800 2.220 2.174 2.242 . 0 0 "[ . 1 . 2 ]" 1 786 1 96 LEU H 1 97 GLN H 2.800 . 2.800 2.742 2.658 2.804 0.004 17 0 "[ . 1 . 2 ]" 1 787 1 95 ALA HA 1 96 LEU H 3.500 . 3.500 3.551 3.536 3.614 0.114 1 0 "[ . 1 . 2 ]" 1 788 1 93 LYS HA 1 96 LEU H 5.500 . 5.500 3.633 3.361 4.022 . 0 0 "[ . 1 . 2 ]" 1 789 1 96 LEU H 1 97 GLN QB 4.500 . 4.500 4.217 4.142 4.302 . 0 0 "[ . 1 . 2 ]" 1 790 1 96 LEU H 1 96 LEU QB 2.800 . 2.800 2.125 2.073 2.267 . 0 0 "[ . 1 . 2 ]" 1 791 1 96 LEU H 1 96 LEU HG 4.500 . 4.500 4.498 4.342 4.544 0.044 10 0 "[ . 1 . 2 ]" 1 792 1 96 LEU H 1 96 LEU QD 3.500 . 3.500 3.394 3.192 3.741 0.241 1 0 "[ . 1 . 2 ]" 1 793 1 97 GLN H 1 98 GLU H 2.800 . 2.800 2.706 2.653 2.741 . 0 0 "[ . 1 . 2 ]" 1 794 1 97 GLN H 1 99 LEU H 5.500 . 5.500 4.266 4.207 4.367 . 0 0 "[ . 1 . 2 ]" 1 795 1 95 ALA HA 1 97 GLN H 5.500 . 5.500 4.625 4.510 4.767 . 0 0 "[ . 1 . 2 ]" 1 796 1 94 GLU HA 1 97 GLN H 3.500 . 3.500 3.443 3.355 3.552 0.052 1 0 "[ . 1 . 2 ]" 1 797 1 96 LEU HA 1 97 GLN H 3.500 . 3.500 3.587 3.569 3.615 0.115 1 0 "[ . 1 . 2 ]" 1 798 1 97 GLN H 1 97 GLN HA 2.800 . 2.800 2.842 2.822 2.857 0.057 5 0 "[ . 1 . 2 ]" 1 799 1 97 GLN H 1 97 GLN QG 2.800 . 2.800 2.855 2.733 3.018 0.218 1 0 "[ . 1 . 2 ]" 1 800 1 97 GLN H 1 97 GLN QB 2.800 . 2.800 2.252 2.200 2.342 . 0 0 "[ . 1 . 2 ]" 1 801 1 96 LEU QB 1 97 GLN H 3.500 . 3.500 2.397 2.239 2.694 . 0 0 "[ . 1 . 2 ]" 1 802 1 96 LEU HG 1 97 GLN H 5.500 . 5.500 4.515 3.957 4.771 . 0 0 "[ . 1 . 2 ]" 1 803 1 42 LEU QD 1 97 GLN H 4.500 . 4.500 3.020 2.889 3.264 . 0 0 "[ . 1 . 2 ]" 1 804 1 96 LEU QD 1 97 GLN H 4.500 . 4.500 3.885 3.713 4.117 . 0 0 "[ . 1 . 2 ]" 1 805 1 98 GLU H 1 100 VAL H 4.500 . 4.500 4.396 4.302 4.483 . 0 0 "[ . 1 . 2 ]" 1 806 1 96 LEU H 1 98 GLU H 4.500 . 4.500 4.052 3.838 4.165 . 0 0 "[ . 1 . 2 ]" 1 807 1 98 GLU H 1 99 LEU H 2.800 . 2.800 2.793 2.735 2.830 0.030 11 0 "[ . 1 . 2 ]" 1 808 1 95 ALA HA 1 98 GLU H 3.500 . 3.500 3.426 3.236 3.511 0.011 7 0 "[ . 1 . 2 ]" 1 809 1 98 GLU H 1 98 GLU HA 2.800 . 2.800 2.825 2.812 2.834 0.034 8 0 "[ . 1 . 2 ]" 1 810 1 97 GLN HA 1 98 GLU H 4.500 . 4.500 3.589 3.567 3.623 . 0 0 "[ . 1 . 2 ]" 1 811 1 98 GLU H 1 98 GLU QG 4.500 . 4.500 3.970 3.940 3.986 . 0 0 "[ . 1 . 2 ]" 1 812 1 97 GLN QB 1 98 GLU H 2.800 . 2.800 2.203 2.165 2.233 . 0 0 "[ . 1 . 2 ]" 1 813 1 98 GLU H 1 99 LEU QB 4.500 . 4.500 4.447 4.331 4.516 0.016 16 0 "[ . 1 . 2 ]" 1 814 1 96 LEU QB 1 98 GLU H 4.500 . 4.500 4.597 4.533 4.849 0.349 1 0 "[ . 1 . 2 ]" 1 815 1 95 ALA MB 1 98 GLU H 5.500 . 5.500 4.625 4.503 4.700 . 0 0 "[ . 1 . 2 ]" 1 816 1 42 LEU QD 1 98 GLU H 5.500 . 5.500 4.566 4.465 4.704 . 0 0 "[ . 1 . 2 ]" 1 817 1 99 LEU H 1 101 ASN H 4.500 . 4.500 4.225 4.087 4.341 . 0 0 "[ . 1 . 2 ]" 1 818 1 99 LEU H 1 100 VAL H 2.800 . 2.800 2.835 2.793 2.966 0.166 1 0 "[ . 1 . 2 ]" 1 819 1 96 LEU H 1 99 LEU H 5.500 . 5.500 4.678 4.583 4.824 . 0 0 "[ . 1 . 2 ]" 1 820 1 95 ALA HA 1 99 LEU H 5.500 . 5.500 3.939 3.837 4.050 . 0 0 "[ . 1 . 2 ]" 1 821 1 97 GLN HA 1 99 LEU H 5.500 . 5.500 4.460 4.385 4.577 . 0 0 "[ . 1 . 2 ]" 1 822 1 98 GLU QG 1 99 LEU H . . 3.500 3.518 3.510 3.596 0.096 1 0 "[ . 1 . 2 ]" 1 823 1 98 GLU QB 1 99 LEU H 2.800 . 2.800 2.590 2.489 2.682 . 0 0 "[ . 1 . 2 ]" 1 824 1 99 LEU H 1 102 LYS QD 4.500 . 4.500 4.359 4.043 4.596 0.096 5 0 "[ . 1 . 2 ]" 1 825 1 99 LEU H 1 99 LEU QD 4.500 . 4.500 3.707 3.656 3.749 . 0 0 "[ . 1 . 2 ]" 1 826 1 100 VAL H 1 101 ASN H 2.800 . 2.800 2.466 2.341 2.530 . 0 0 "[ . 1 . 2 ]" 1 827 1 98 GLU H 1 100 VAL H 5.500 . 5.500 4.228 4.137 4.310 . 0 0 "[ . 1 . 2 ]" 1 828 1 100 VAL H 1 101 ASN HA 5.500 . 5.500 5.111 5.015 5.190 . 0 0 "[ . 1 . 2 ]" 1 829 1 99 LEU HA 1 100 VAL H 3.500 . 3.500 3.559 3.509 3.609 0.109 1 0 "[ . 1 . 2 ]" 1 830 1 97 GLN HA 1 100 VAL H 4.500 . 4.500 3.586 3.410 3.664 . 0 0 "[ . 1 . 2 ]" 1 831 1 100 VAL H 1 101 ASN QB 5.500 . 5.500 4.021 3.929 4.142 . 0 0 "[ . 1 . 2 ]" 1 832 1 42 LEU QB 1 100 VAL H 5.500 . 5.500 4.615 3.980 4.816 . 0 0 "[ . 1 . 2 ]" 1 833 1 99 LEU QD 1 100 VAL H 4.500 . 4.500 3.830 3.359 4.090 . 0 0 "[ . 1 . 2 ]" 1 834 1 21 LEU QD 1 100 VAL H 3.500 . 3.500 3.352 3.174 3.522 0.022 8 0 "[ . 1 . 2 ]" 1 835 1 100 VAL H 1 100 VAL QG 2.800 . 2.800 2.039 1.974 2.120 . 0 0 "[ . 1 . 2 ]" 1 836 1 101 ASN H 1 103 HIS H 5.500 . 5.500 4.380 4.304 4.518 . 0 0 "[ . 1 . 2 ]" 1 837 1 97 GLN QE 1 101 ASN H 5.500 . 5.500 4.378 4.309 4.420 . 0 0 "[ . 1 . 2 ]" 1 838 1 101 ASN H 1 102 LYS H 2.800 . 2.800 2.802 2.680 2.828 0.028 11 0 "[ . 1 . 2 ]" 1 839 1 101 ASN H 1 101 ASN QD 5.500 . 5.500 4.314 2.701 4.552 . 0 0 "[ . 1 . 2 ]" 1 840 1 101 ASN H 1 101 ASN HA 2.800 . 2.800 2.808 2.794 2.830 0.030 13 0 "[ . 1 . 2 ]" 1 841 1 98 GLU HA 1 101 ASN H 4.500 . 4.500 3.446 3.287 3.585 . 0 0 "[ . 1 . 2 ]" 1 842 1 97 GLN HA 1 101 ASN H 5.500 . 5.500 3.813 3.609 3.979 . 0 0 "[ . 1 . 2 ]" 1 843 1 101 ASN H 1 101 ASN QB 2.800 . 2.800 2.249 2.224 2.338 . 0 0 "[ . 1 . 2 ]" 1 844 1 46 MET ME 1 101 ASN H 3.500 . 3.500 3.340 3.247 3.479 . 0 0 "[ . 1 . 2 ]" 1 845 1 99 LEU QB 1 101 ASN H 5.500 . 5.500 4.605 4.385 4.750 . 0 0 "[ . 1 . 2 ]" 1 846 1 99 LEU HG 1 101 ASN H 4.500 . 4.500 4.872 4.538 4.996 0.496 13 0 "[ . 1 . 2 ]" 1 847 1 99 LEU QD 1 101 ASN H 4.500 . 4.500 4.056 3.835 4.626 0.126 11 0 "[ . 1 . 2 ]" 1 848 1 100 VAL QG 1 101 ASN H 2.800 . 2.800 2.408 2.326 2.529 . 0 0 "[ . 1 . 2 ]" 1 849 1 42 LEU QD 1 101 ASN H 5.500 . 5.500 4.422 4.310 4.507 . 0 0 "[ . 1 . 2 ]" 1 850 1 102 LYS H 1 103 HIS H 2.800 . 2.800 2.835 2.624 2.932 0.132 1 0 "[ . 1 . 2 ]" 1 851 1 100 VAL H 1 102 LYS H 5.500 . 5.500 4.091 3.887 4.189 . 0 0 "[ . 1 . 2 ]" 1 852 1 102 LYS H 1 104 LEU H 4.500 . 4.500 4.112 3.961 4.260 . 0 0 "[ . 1 . 2 ]" 1 853 1 101 ASN HA 1 102 LYS H . . 3.500 3.536 3.486 3.561 0.061 17 0 "[ . 1 . 2 ]" 1 854 1 99 LEU HA 1 102 LYS H 2.800 . 2.800 2.792 2.753 2.857 0.057 11 0 "[ . 1 . 2 ]" 1 855 1 101 ASN QB 1 102 LYS H 4.500 . 4.500 2.852 2.741 3.505 . 0 0 "[ . 1 . 2 ]" 1 856 1 101 ASN QB 1 102 LYS H 4.500 . 4.500 2.927 2.779 3.762 . 0 0 "[ . 1 . 2 ]" 1 857 1 99 LEU QB 1 102 LYS H 5.500 . 5.500 5.426 5.225 5.565 0.065 9 0 "[ . 1 . 2 ]" 1 858 1 102 LYS H 1 102 LYS QB 2.800 . 2.800 2.289 2.098 2.437 . 0 0 "[ . 1 . 2 ]" 1 859 1 102 LYS H 1 102 LYS QG 3.500 . 3.500 2.511 2.282 2.928 . 0 0 "[ . 1 . 2 ]" 1 860 1 100 VAL H 1 103 HIS H 5.500 . 5.500 5.532 5.488 5.601 0.101 18 0 "[ . 1 . 2 ]" 1 861 1 103 HIS H 1 104 LEU H 2.800 . 2.800 1.880 1.809 1.974 . 0 0 "[ . 1 . 2 ]" 1 862 1 101 ASN HA 1 103 HIS H 5.500 . 5.500 3.730 3.618 3.891 . 0 0 "[ . 1 . 2 ]" 1 863 1 102 LYS HA 1 103 HIS H 4.500 . 4.500 3.478 3.373 3.573 . 0 0 "[ . 1 . 2 ]" 1 864 1 103 HIS H 1 103 HIS QB 2.800 . 2.800 2.667 2.519 2.909 0.109 16 0 "[ . 1 . 2 ]" 1 865 1 79 LYS QB 1 103 HIS H 5.500 . 5.500 4.925 4.662 5.359 . 0 0 "[ . 1 . 2 ]" 1 866 1 102 LYS QD 1 103 HIS H 3.500 . 3.500 3.377 3.284 3.494 . 0 0 "[ . 1 . 2 ]" 1 867 1 102 LYS QG 1 103 HIS H 5.500 . 5.500 3.841 2.400 4.584 . 0 0 "[ . 1 . 2 ]" 1 868 1 103 HIS H 1 104 LEU QD 5.500 . 5.500 4.825 4.738 4.918 . 0 0 "[ . 1 . 2 ]" 1 869 1 101 ASN HA 1 104 LEU H 4.500 . 4.500 3.130 2.982 3.233 . 0 0 "[ . 1 . 2 ]" 1 870 1 104 LEU H 1 104 LEU HA 2.800 . 2.800 2.872 2.837 2.917 0.117 6 0 "[ . 1 . 2 ]" 1 871 1 102 LYS HA 1 104 LEU H 5.500 . 5.500 4.756 4.549 4.957 . 0 0 "[ . 1 . 2 ]" 1 872 1 103 HIS QB 1 104 LEU H 4.500 . 4.500 3.137 2.789 3.854 . 0 0 "[ . 1 . 2 ]" 1 873 1 79 LYS QB 1 104 LEU H 4.500 . 4.500 4.092 4.003 4.266 . 0 0 "[ . 1 . 2 ]" 1 874 1 104 LEU H 1 104 LEU QB 2.800 . 2.800 2.020 1.996 2.121 . 0 0 "[ . 1 . 2 ]" 1 875 1 19 VAL QG 1 104 LEU H 5.500 . 5.500 3.005 2.850 3.195 . 0 0 "[ . 1 . 2 ]" 1 876 1 104 LEU H 1 104 LEU QD 3.500 . 3.500 3.644 3.556 3.689 0.189 14 0 "[ . 1 . 2 ]" 1 877 1 25 TRP HE1 1 56 ASP HA 5.500 . 5.500 2.690 2.253 2.949 . 0 0 "[ . 1 . 2 ]" 1 878 1 25 TRP HE1 1 56 ASP QB . . 4.500 2.485 1.893 3.602 . 0 0 "[ . 1 . 2 ]" 1 879 1 25 TRP HE1 1 54 LYS QB 3.500 . 3.500 3.140 2.849 3.565 0.065 12 0 "[ . 1 . 2 ]" 1 880 1 25 TRP HE1 1 54 LYS QB 3.500 . 3.500 3.129 2.844 3.538 0.038 12 0 "[ . 1 . 2 ]" 1 881 1 25 TRP HE1 1 57 VAL QG 5.500 . 5.500 5.210 4.784 5.392 . 0 0 "[ . 1 . 2 ]" 1 882 1 101 ASN QD 1 104 LEU H 5.500 . 5.500 5.569 5.533 6.062 0.562 1 1 "[+ . 1 . 2 ]" 1 883 1 98 GLU HA 1 101 ASN QD 4.500 . 4.500 3.586 2.142 3.859 . 0 0 "[ . 1 . 2 ]" 1 884 1 98 GLU HA 1 101 ASN QD 4.500 . 4.500 3.062 2.123 3.311 . 0 0 "[ . 1 . 2 ]" 1 885 1 101 ASN QB 1 101 ASN QD . . 2.800 2.254 2.199 2.685 . 0 0 "[ . 1 . 2 ]" 1 886 1 98 GLU QG 1 101 ASN QD 4.500 . 4.500 3.910 2.722 4.342 . 0 0 "[ . 1 . 2 ]" 1 887 1 46 MET ME 1 101 ASN QD 4.500 . 4.500 4.479 3.639 4.544 0.044 13 0 "[ . 1 . 2 ]" 1 888 1 42 LEU QD 1 97 GLN QE 4.500 . 4.500 3.138 2.226 3.547 . 0 0 "[ . 1 . 2 ]" 1 889 1 42 LEU QB 1 97 GLN QE 5.500 . 5.500 4.959 4.136 5.414 . 0 0 "[ . 1 . 2 ]" 1 890 1 45 GLU QB 1 97 GLN QE 3.500 . 3.500 2.223 2.078 2.418 . 0 0 "[ . 1 . 2 ]" 1 891 1 45 GLU QG 1 97 GLN QE 2.800 . 2.800 2.640 2.249 3.108 0.308 1 0 "[ . 1 . 2 ]" 1 892 1 93 LYS QE 1 97 GLN QE 5.500 . 5.500 3.487 2.716 5.425 . 0 0 "[ . 1 . 2 ]" 1 893 1 46 MET HA 1 97 GLN QE 5.500 . 5.500 5.550 5.330 5.901 0.401 1 0 "[ . 1 . 2 ]" 1 894 1 40 GLU QB 1 44 GLN QE 4.500 . 4.500 2.914 2.570 3.273 . 0 0 "[ . 1 . 2 ]" 1 895 1 41 GLU HA 1 44 GLN QE 4.500 . 4.500 2.332 2.156 2.486 . 0 0 "[ . 1 . 2 ]" 1 896 1 9 GLN H 1 9 GLN QE . . 4.500 4.402 4.229 4.506 0.006 6 0 "[ . 1 . 2 ]" 1 897 1 9 GLN HA 1 9 GLN QE 5.500 . 5.500 4.669 4.612 4.920 . 0 0 "[ . 1 . 2 ]" 1 898 1 8 ASP QB 1 9 GLN QE 4.500 . 4.500 3.438 3.276 3.951 . 0 0 "[ . 1 . 2 ]" 1 899 1 8 ASP QB 1 9 GLN QE 4.500 . 4.500 3.407 3.260 3.939 . 0 0 "[ . 1 . 2 ]" 1 900 1 61 GLN QE 1 70 MET HA 5.500 . 5.500 4.611 3.964 4.876 . 0 0 "[ . 1 . 2 ]" 1 901 1 58 ASP HA 1 61 GLN QE 5.500 . 5.500 3.728 3.321 4.878 . 0 0 "[ . 1 . 2 ]" 1 902 1 61 GLN HA 1 61 GLN QE 4.500 . 4.500 4.470 4.043 4.521 0.021 15 0 "[ . 1 . 2 ]" 1 903 1 61 GLN QE 1 65 GLY QA 5.500 . 5.500 4.509 2.354 5.012 . 0 0 "[ . 1 . 2 ]" 1 904 1 61 GLN QE 1 70 MET QB 5.500 . 5.500 5.311 4.458 5.540 0.040 5 0 "[ . 1 . 2 ]" 1 905 1 57 VAL QG 1 61 GLN QE 5.500 . 5.500 3.612 2.436 3.996 . 0 0 "[ . 1 . 2 ]" 1 906 1 59 GLU QG 1 60 ASN QD 4.500 . 4.500 2.709 2.005 4.328 . 0 0 "[ . 1 . 2 ]" 1 907 1 59 GLU QB 1 60 ASN QD 4.500 . 4.500 4.105 3.326 4.571 0.071 21 0 "[ . 1 . 2 ]" 1 908 1 6 ALA MB 1 60 ASN QD 4.500 . 4.500 3.658 2.425 4.433 . 0 0 "[ . 1 . 2 ]" 1 909 1 56 ASP QB 1 60 ASN QD 4.500 . 4.500 2.488 1.999 3.357 . 0 0 "[ . 1 . 2 ]" 1 910 1 7 THR HA 1 60 ASN QD . . 4.500 3.707 2.689 4.443 . 0 0 "[ . 1 . 2 ]" 1 911 1 2 ALA HA 1 3 ILE HA 4.500 . 4.500 4.369 4.309 4.449 . 0 0 "[ . 1 . 2 ]" 1 912 1 2 ALA HA 1 3 ILE MD 3.500 . 3.500 3.265 3.034 3.524 0.024 8 0 "[ . 1 . 2 ]" 1 913 1 2 ALA MB 1 3 ILE MD 4.500 . 4.500 3.963 3.856 4.132 . 0 0 "[ . 1 . 2 ]" 1 914 1 2 ALA MB 1 4 VAL QG . . 3.500 2.775 2.349 3.199 . 0 0 "[ . 1 . 2 ]" 1 915 1 2 ALA MB 1 52 ILE H 5.500 . 5.500 5.140 4.238 5.512 0.012 15 0 "[ . 1 . 2 ]" 1 916 1 2 ALA MB 1 3 ILE MG 5.500 . 5.500 4.803 4.707 4.946 . 0 0 "[ . 1 . 2 ]" 1 917 1 3 ILE HB 1 4 VAL H 5.500 . 5.500 4.635 4.582 4.669 . 0 0 "[ . 1 . 2 ]" 1 918 1 3 ILE HB 1 3 ILE MD 2.800 . 2.800 2.467 2.409 2.564 . 0 0 "[ . 1 . 2 ]" 1 919 1 3 ILE QG 1 4 VAL H 5.500 . 5.500 4.076 3.900 4.204 . 0 0 "[ . 1 . 2 ]" 1 920 1 3 ILE QG 1 52 ILE HB . . 4.500 2.694 2.304 3.754 . 0 0 "[ . 1 . 2 ]" 1 921 1 3 ILE H 1 3 ILE MD 4.500 . 4.500 2.553 2.451 2.670 . 0 0 "[ . 1 . 2 ]" 1 922 1 3 ILE MD 1 39 LEU H 5.500 . 5.500 5.210 5.104 5.306 . 0 0 "[ . 1 . 2 ]" 1 923 1 3 ILE MD 1 40 GLU H 4.500 . 4.500 3.602 3.543 3.721 . 0 0 "[ . 1 . 2 ]" 1 924 1 3 ILE MD 1 52 ILE HA 5.500 . 5.500 5.078 4.873 5.262 . 0 0 "[ . 1 . 2 ]" 1 925 1 3 ILE HA 1 3 ILE MD 3.500 . 3.500 2.776 2.565 2.953 . 0 0 "[ . 1 . 2 ]" 1 926 1 3 ILE MD 1 43 ASP HA . . 4.500 4.213 4.105 4.281 . 0 0 "[ . 1 . 2 ]" 1 927 1 3 ILE MD 1 40 GLU HA 2.800 . 2.800 1.972 1.933 2.152 . 0 0 "[ . 1 . 2 ]" 1 928 1 3 ILE MD 1 43 ASP QB 2.800 . 2.800 2.006 1.979 2.065 . 0 0 "[ . 1 . 2 ]" 1 929 1 3 ILE MD 1 40 GLU QG . . 2.800 2.303 2.217 2.516 . 0 0 "[ . 1 . 2 ]" 1 930 1 3 ILE MD 1 39 LEU QB 2.800 . 2.800 2.843 2.812 2.981 0.181 1 0 "[ . 1 . 2 ]" 1 931 1 3 ILE MD 1 52 ILE HB 3.500 . 3.500 2.980 2.614 3.201 . 0 0 "[ . 1 . 2 ]" 1 932 1 3 ILE MG 1 23 ASP H 5.500 . 5.500 5.416 5.231 5.515 0.015 5 0 "[ . 1 . 2 ]" 1 933 1 3 ILE H 1 3 ILE MG 4.500 . 4.500 3.651 3.605 3.706 . 0 0 "[ . 1 . 2 ]" 1 934 1 3 ILE MG 1 40 GLU H 5.500 . 5.500 5.149 4.886 5.495 . 0 0 "[ . 1 . 2 ]" 1 935 1 3 ILE MG 1 52 ILE HA 5.500 . 5.500 3.896 3.720 4.100 . 0 0 "[ . 1 . 2 ]" 1 936 1 3 ILE HA 1 3 ILE MG 2.800 . 2.800 2.601 2.506 2.661 . 0 0 "[ . 1 . 2 ]" 1 937 1 3 ILE MG 1 4 VAL HA . . 4.500 4.294 4.182 4.392 . 0 0 "[ . 1 . 2 ]" 1 938 1 2 ALA HA 1 3 ILE MG 5.500 . 5.500 5.545 5.440 5.688 0.188 1 0 "[ . 1 . 2 ]" 1 939 1 3 ILE MG 1 40 GLU HA 5.500 . 5.500 5.009 4.834 5.288 . 0 0 "[ . 1 . 2 ]" 1 940 1 3 ILE MG 1 54 LYS QE 4.500 . 4.500 3.948 3.800 4.050 . 0 0 "[ . 1 . 2 ]" 1 941 1 3 ILE MG 1 4 VAL HB 5.500 . 5.500 3.526 3.238 3.773 . 0 0 "[ . 1 . 2 ]" 1 942 1 3 ILE MG 1 5 LYS QD 4.500 . 4.500 3.921 3.554 4.451 . 0 0 "[ . 1 . 2 ]" 1 943 1 3 ILE MG 1 54 LYS QD 2.800 . 2.800 1.973 1.846 2.381 . 0 0 "[ . 1 . 2 ]" 1 944 1 3 ILE MG 1 54 LYS QD 2.800 . 2.800 2.210 2.069 2.407 . 0 0 "[ . 1 . 2 ]" 1 945 1 3 ILE MG 1 52 ILE MG 4.500 . 4.500 2.780 2.336 3.072 . 0 0 "[ . 1 . 2 ]" 1 946 1 4 VAL HA 1 6 ALA H 4.500 . 4.500 4.599 4.538 4.778 0.278 1 0 "[ . 1 . 2 ]" 1 947 1 25 TRP HA 1 32 SER HA 4.500 . 4.500 3.384 3.212 3.586 . 0 0 "[ . 1 . 2 ]" 1 948 1 32 SER HA 1 37 PRO QD 5.500 . 5.500 5.654 5.599 5.982 0.482 1 0 "[ . 1 . 2 ]" 1 949 1 4 VAL HA 1 5 LYS QB 4.500 . 4.500 4.119 3.808 4.477 . 0 0 "[ . 1 . 2 ]" 1 950 1 3 ILE HB 1 4 VAL HA 4.500 . 4.500 3.805 3.757 3.894 . 0 0 "[ . 1 . 2 ]" 1 951 1 4 VAL HA 1 4 VAL QG 2.800 . 2.800 2.194 2.160 2.216 . 0 0 "[ . 1 . 2 ]" 1 952 1 4 VAL HB 1 53 VAL HA 4.500 . 4.500 2.456 2.321 2.599 . 0 0 "[ . 1 . 2 ]" 1 953 1 3 ILE HA 1 4 VAL HB 4.500 . 4.500 4.522 4.502 4.571 0.071 1 0 "[ . 1 . 2 ]" 1 954 1 4 VAL HB 1 20 VAL QG 5.500 . 5.500 4.684 4.214 4.939 . 0 0 "[ . 1 . 2 ]" 1 955 1 4 VAL HB 1 53 VAL QG 2.800 . 2.800 2.076 1.967 3.162 0.362 6 0 "[ . 1 . 2 ]" 1 956 1 4 VAL QG 1 53 VAL H 5.500 . 5.500 4.972 4.843 5.054 . 0 0 "[ . 1 . 2 ]" 1 957 1 4 VAL QG 1 53 VAL HA 3.500 . 3.500 3.380 3.277 3.470 . 0 0 "[ . 1 . 2 ]" 1 958 1 3 ILE HA 1 4 VAL QG 4.500 . 4.500 3.334 3.206 3.479 . 0 0 "[ . 1 . 2 ]" 1 959 1 4 VAL QG 1 14 GLU HA 4.500 . 4.500 4.481 4.306 4.543 0.043 8 0 "[ . 1 . 2 ]" 1 960 1 4 VAL QG 1 51 LYS QE 4.500 . 4.500 2.636 1.914 3.535 . 0 0 "[ . 1 . 2 ]" 1 961 1 4 VAL QG 1 14 GLU QG . . 3.500 2.506 2.249 2.900 . 0 0 "[ . 1 . 2 ]" 1 962 1 4 VAL QG 1 5 LYS QB 5.500 . 5.500 3.622 3.376 3.770 . 0 0 "[ . 1 . 2 ]" 1 963 1 4 VAL QG 1 14 GLU QB 2.800 . 2.800 2.542 2.233 2.835 0.035 5 0 "[ . 1 . 2 ]" 1 964 1 2 ALA MB 1 4 VAL QG 4.500 . 4.500 2.727 2.340 3.139 . 0 0 "[ . 1 . 2 ]" 1 965 1 4 VAL QG 1 51 LYS QG . . 2.800 2.532 2.276 2.725 . 0 0 "[ . 1 . 2 ]" 1 966 1 4 VAL QG 1 53 VAL QG 2.800 . 2.800 2.246 2.098 2.931 0.131 6 0 "[ . 1 . 2 ]" 1 967 1 3 ILE HA 1 4 VAL QG 4.500 . 4.500 3.596 3.427 3.697 . 0 0 "[ . 1 . 2 ]" 1 968 1 5 LYS HA 1 6 ALA H 3.500 . 3.500 2.008 1.937 2.104 . 0 0 "[ . 1 . 2 ]" 1 969 1 4 VAL HA 1 5 LYS HA 4.500 . 4.500 4.503 4.447 4.577 0.077 1 0 "[ . 1 . 2 ]" 1 970 1 4 VAL QG 1 5 LYS HA 5.500 . 5.500 3.814 3.650 3.950 . 0 0 "[ . 1 . 2 ]" 1 971 1 5 LYS HA 1 5 LYS QB 2.800 . 2.800 2.297 2.129 2.448 . 0 0 "[ . 1 . 2 ]" 1 972 1 4 VAL HA 1 5 LYS QB 5.500 . 5.500 4.057 3.769 4.364 . 0 0 "[ . 1 . 2 ]" 1 973 1 5 LYS QG 1 6 ALA H 5.500 . 5.500 3.321 2.439 4.177 . 0 0 "[ . 1 . 2 ]" 1 974 1 5 LYS QG 1 6 ALA HA 4.500 . 4.500 4.291 3.912 4.543 0.043 21 0 "[ . 1 . 2 ]" 1 975 1 5 LYS QG 1 6 ALA HA 4.500 . 4.500 3.793 3.219 4.158 . 0 0 "[ . 1 . 2 ]" 1 976 1 5 LYS QE 1 5 LYS QG . . 2.800 2.327 2.080 2.830 0.030 3 0 "[ . 1 . 2 ]" 1 977 1 19 VAL QG 1 79 LYS QG 5.500 . 5.500 3.041 1.824 3.675 . 0 0 "[ . 1 . 2 ]" 1 978 1 79 LYS QG 1 84 VAL QG . . 2.800 2.232 1.827 2.855 0.055 13 0 "[ . 1 . 2 ]" 1 979 1 79 LYS QD 1 80 ASP H 5.500 . 5.500 4.794 4.035 5.065 . 0 0 "[ . 1 . 2 ]" 1 980 1 5 LYS QD 1 6 ALA H 5.500 . 5.500 3.832 2.580 4.293 . 0 0 "[ . 1 . 2 ]" 1 981 1 5 LYS H 1 5 LYS QD 5.500 . 5.500 4.316 1.961 5.331 . 0 0 "[ . 1 . 2 ]" 1 982 1 19 VAL HA 1 79 LYS QD 4.500 . 4.500 4.064 3.709 4.382 . 0 0 "[ . 1 . 2 ]" 1 983 1 79 LYS QD 1 103 HIS QB 5.500 . 5.500 2.684 2.098 4.780 . 0 0 "[ . 1 . 2 ]" 1 984 1 79 LYS QD 1 82 GLU QB 3.500 . 3.500 3.506 2.939 3.967 0.467 11 0 "[ . 1 . 2 ]" 1 985 1 19 VAL QG 1 79 LYS QD 4.500 . 4.500 2.912 2.205 4.263 . 0 0 "[ . 1 . 2 ]" 1 986 1 79 LYS QD 1 84 VAL QG 2.800 . 2.800 2.095 1.905 2.626 . 0 0 "[ . 1 . 2 ]" 1 987 1 3 ILE MG 1 5 LYS QD 5.500 . 5.500 5.287 4.825 5.544 0.044 16 0 "[ . 1 . 2 ]" 1 988 1 5 LYS QE 1 6 ALA H 5.500 . 5.500 4.198 3.647 4.809 . 0 0 "[ . 1 . 2 ]" 1 989 1 5 LYS H 1 5 LYS QE 5.500 . 5.500 4.333 3.186 5.215 . 0 0 "[ . 1 . 2 ]" 1 990 1 49 LYS H 1 49 LYS QE 5.500 . 5.500 4.249 4.063 4.442 . 0 0 "[ . 1 . 2 ]" 1 991 1 49 LYS QE 1 50 LEU H 5.500 . 5.500 4.736 4.387 5.165 . 0 0 "[ . 1 . 2 ]" 1 992 1 4 VAL HA 1 5 LYS QE 4.500 . 4.500 4.537 3.433 4.829 0.329 1 0 "[ . 1 . 2 ]" 1 993 1 45 GLU HA 1 49 LYS QE 5.500 . 5.500 6.175 5.892 6.328 0.828 1 20 "[+***************** *-]" 1 994 1 46 MET ME 1 49 LYS QE 3.500 . 3.500 3.599 3.527 3.906 0.406 1 0 "[ . 1 . 2 ]" 1 995 1 4 VAL QG 1 49 LYS QE 2.800 . 2.800 2.498 1.907 3.204 0.404 8 0 "[ . 1 . 2 ]" 1 996 1 49 LYS QE 1 49 LYS QG 2.800 . 2.800 2.291 2.108 2.636 . 0 0 "[ . 1 . 2 ]" 1 997 1 6 ALA MB 1 15 THR MG 5.500 . 5.500 3.863 3.496 4.220 . 0 0 "[ . 1 . 2 ]" 1 998 1 6 ALA MB 1 55 ILE MG 4.500 . 4.500 4.166 4.027 4.369 . 0 0 "[ . 1 . 2 ]" 1 999 1 6 ALA MB 1 55 ILE MD 3.500 . 3.500 1.981 1.938 2.123 . 0 0 "[ . 1 . 2 ]" 1 1000 1 6 ALA MB 1 53 VAL QG 2.800 . 2.800 1.928 1.865 2.504 . 0 0 "[ . 1 . 2 ]" 1 1001 1 6 ALA MB 1 55 ILE QG 3.500 . 3.500 2.206 2.099 2.655 . 0 0 "[ . 1 . 2 ]" 1 1002 1 6 ALA MB 1 53 VAL HB . . 4.500 3.477 2.089 3.872 . 0 0 "[ . 1 . 2 ]" 1 1003 1 5 LYS QB 1 6 ALA MB 5.500 . 5.500 4.912 4.424 5.159 . 0 0 "[ . 1 . 2 ]" 1 1004 1 6 ALA MB 1 14 GLU QG 5.500 . 5.500 3.919 3.332 4.175 . 0 0 "[ . 1 . 2 ]" 1 1005 1 6 ALA MB 1 14 GLU QG 5.500 . 5.500 3.880 3.324 4.112 . 0 0 "[ . 1 . 2 ]" 1 1006 1 6 ALA MB 1 11 PHE QB 5.500 . 5.500 2.071 1.975 2.453 . 0 0 "[ . 1 . 2 ]" 1 1007 1 6 ALA MB 1 11 PHE HA 3.500 . 3.500 2.281 2.049 3.216 . 0 0 "[ . 1 . 2 ]" 1 1008 1 6 ALA MB 1 10 SER QB 5.500 . 5.500 3.740 2.883 4.195 . 0 0 "[ . 1 . 2 ]" 1 1009 1 6 ALA MB 1 53 VAL HA 5.500 . 5.500 4.137 3.775 4.424 . 0 0 "[ . 1 . 2 ]" 1 1010 1 6 ALA MB 1 11 PHE QD 2.800 . 2.800 2.718 2.488 2.962 0.162 1 0 "[ . 1 . 2 ]" 1 1011 1 6 ALA MB 1 7 THR H 3.500 . 3.500 2.226 2.085 2.416 . 0 0 "[ . 1 . 2 ]" 1 1012 1 7 THR HB 1 55 ILE MD 5.500 . 5.500 4.474 4.002 5.091 . 0 0 "[ . 1 . 2 ]" 1 1013 1 7 THR MG 1 60 ASN QD 5.500 . 5.500 3.917 2.428 4.732 . 0 0 "[ . 1 . 2 ]" 1 1014 1 6 ALA HA 1 7 THR MG 3.500 . 3.500 2.917 2.407 3.100 . 0 0 "[ . 1 . 2 ]" 1 1015 1 7 THR MG 1 14 GLU QG 5.500 . 5.500 5.208 4.731 5.549 0.049 1 0 "[ . 1 . 2 ]" 1 1016 1 37 PRO QG 1 38 VAL QG 3.500 . 3.500 3.394 3.178 3.493 . 0 0 "[ . 1 . 2 ]" 1 1017 1 38 VAL QG 1 96 LEU QB . . 2.800 2.537 2.396 2.778 . 0 0 "[ . 1 . 2 ]" 1 1018 1 8 ASP HA 1 55 ILE MD 5.500 . 5.500 4.407 4.221 4.649 . 0 0 "[ . 1 . 2 ]" 1 1019 1 8 ASP HA 1 8 ASP QB 2.800 . 2.800 2.294 2.167 2.320 . 0 0 "[ . 1 . 2 ]" 1 1020 1 8 ASP HA 1 62 GLU QB 5.500 . 5.500 2.829 2.367 3.308 . 0 0 "[ . 1 . 2 ]" 1 1021 1 6 ALA MB 1 8 ASP HA 5.500 . 5.500 4.690 4.515 5.175 . 0 0 "[ . 1 . 2 ]" 1 1022 1 7 THR MG 1 8 ASP QB 5.500 . 5.500 3.931 3.452 5.034 . 0 0 "[ . 1 . 2 ]" 1 1023 1 8 ASP QB 1 9 GLN HA 5.500 . 5.500 4.725 4.578 4.890 . 0 0 "[ . 1 . 2 ]" 1 1024 1 9 GLN HA 1 9 GLN QG 2.800 . 2.800 2.388 2.354 2.475 . 0 0 "[ . 1 . 2 ]" 1 1025 1 9 GLN HA 1 9 GLN QB 2.800 . 2.800 2.433 2.311 2.465 . 0 0 "[ . 1 . 2 ]" 1 1026 1 9 GLN QB 1 10 SER H 3.500 . 3.500 2.826 2.791 2.930 . 0 0 "[ . 1 . 2 ]" 1 1027 1 9 GLN QG 1 10 SER H 4.500 . 4.500 4.391 4.143 4.474 . 0 0 "[ . 1 . 2 ]" 1 1028 1 44 GLN QG 1 45 GLU H 2.800 . 2.800 3.317 2.914 4.423 1.623 10 4 "[ . -+* .* 2 ]" 1 1029 1 8 ASP HA 1 9 GLN QG 5.500 . 5.500 4.243 4.164 4.359 . 0 0 "[ . 1 . 2 ]" 1 1030 1 40 GLU HA 1 44 GLN QG 5.500 . 5.500 4.228 4.043 4.409 . 0 0 "[ . 1 . 2 ]" 1 1031 1 44 GLN HA 1 44 GLN QG 3.500 . 3.500 3.158 2.266 3.376 . 0 0 "[ . 1 . 2 ]" 1 1032 1 9 GLN QG 1 66 LYS QD 5.500 . 5.500 4.911 4.205 5.550 0.050 15 0 "[ . 1 . 2 ]" 1 1033 1 8 ASP QB 1 9 GLN QG 5.500 . 5.500 3.420 2.686 3.724 . 0 0 "[ . 1 . 2 ]" 1 1034 1 9 GLN QB 1 10 SER HA 4.500 . 4.500 3.500 3.115 3.709 . 0 0 "[ . 1 . 2 ]" 1 1035 1 10 SER HA 1 13 ALA MB 5.500 . 5.500 2.269 2.185 2.363 . 0 0 "[ . 1 . 2 ]" 1 1036 1 7 THR MG 1 10 SER HA 5.500 . 5.500 4.419 4.102 5.010 . 0 0 "[ . 1 . 2 ]" 1 1037 1 11 PHE HA 1 14 GLU QB 5.500 . 5.500 3.096 2.923 3.254 . 0 0 "[ . 1 . 2 ]" 1 1038 1 11 PHE HA 1 53 VAL QG 5.500 . 5.500 3.245 2.975 3.781 . 0 0 "[ . 1 . 2 ]" 1 1039 1 6 ALA HA 1 11 PHE QB 5.500 . 5.500 4.231 4.053 4.804 . 0 0 "[ . 1 . 2 ]" 1 1040 1 11 PHE QB 1 63 THR MG 5.500 . 5.500 2.198 2.076 2.335 . 0 0 "[ . 1 . 2 ]" 1 1041 1 11 PHE H 1 12 SER HA 5.500 . 5.500 4.634 4.556 4.754 . 0 0 "[ . 1 . 2 ]" 1 1042 1 11 PHE QD 1 12 SER HA 3.500 . 3.500 3.170 2.750 3.523 0.023 6 0 "[ . 1 . 2 ]" 1 1043 1 11 PHE QB 1 12 SER HA 5.500 . 5.500 4.005 3.809 4.433 . 0 0 "[ . 1 . 2 ]" 1 1044 1 12 SER HA 1 13 ALA MB 5.500 . 5.500 3.517 3.415 3.706 . 0 0 "[ . 1 . 2 ]" 1 1045 1 12 SER HA 1 15 THR MG . . 3.500 3.869 3.803 3.947 0.447 1 0 "[ . 1 . 2 ]" 1 1046 1 12 SER HA 1 13 ALA HA 3.500 . 3.500 3.559 3.537 3.780 0.280 1 0 "[ . 1 . 2 ]" 1 1047 1 12 SER HA 1 16 SER H 5.500 . 5.500 4.318 3.845 4.562 . 0 0 "[ . 1 . 2 ]" 1 1048 1 12 SER H 1 13 ALA HA 5.500 . 5.500 5.232 4.997 5.371 . 0 0 "[ . 1 . 2 ]" 1 1049 1 13 ALA H 1 13 ALA HA 2.800 . 2.800 2.699 2.692 2.715 . 0 0 "[ . 1 . 2 ]" 1 1050 1 13 ALA HA 1 15 THR H 5.500 . 5.500 4.049 3.905 4.376 . 0 0 "[ . 1 . 2 ]" 1 1051 1 13 ALA HA 1 16 SER H 5.500 . 5.500 3.911 3.728 4.176 . 0 0 "[ . 1 . 2 ]" 1 1052 1 13 ALA H 1 13 ALA MB 2.800 . 2.800 2.100 2.060 2.172 . 0 0 "[ . 1 . 2 ]" 1 1053 1 12 SER HA 1 13 ALA MB 3.500 . 3.500 3.533 3.433 3.728 0.228 1 0 "[ . 1 . 2 ]" 1 1054 1 10 SER QB 1 13 ALA MB 5.500 . 5.500 3.382 3.154 3.742 . 0 0 "[ . 1 . 2 ]" 1 1055 1 11 PHE HA 1 13 ALA MB 5.500 . 5.500 5.171 4.788 5.296 . 0 0 "[ . 1 . 2 ]" 1 1056 1 13 ALA MB 1 14 GLU QG . . 4.500 3.123 2.914 3.318 . 0 0 "[ . 1 . 2 ]" 1 1057 1 13 ALA MB 1 14 GLU QB 4.500 . 4.500 4.216 4.108 4.282 . 0 0 "[ . 1 . 2 ]" 1 1058 1 12 SER H 1 13 ALA MB 5.500 . 5.500 4.411 4.341 4.561 . 0 0 "[ . 1 . 2 ]" 1 1059 1 14 GLU HA 1 15 THR H 5.500 . 5.500 3.482 3.460 3.530 . 0 0 "[ . 1 . 2 ]" 1 1060 1 14 GLU HA 1 14 GLU QG . . 2.800 2.826 2.808 2.875 0.075 1 0 "[ . 1 . 2 ]" 1 1061 1 14 GLU HA 1 14 GLU QB . . 2.800 2.435 2.413 2.454 . 0 0 "[ . 1 . 2 ]" 1 1062 1 13 ALA MB 1 14 GLU HA 4.500 . 4.500 3.953 3.900 4.077 . 0 0 "[ . 1 . 2 ]" 1 1063 1 14 GLU HA 1 53 VAL QG 4.500 . 4.500 4.316 4.107 5.053 0.553 6 1 "[ .+ 1 . 2 ]" 1 1064 1 14 GLU HA 1 15 THR MG 5.500 . 5.500 4.449 4.279 4.694 . 0 0 "[ . 1 . 2 ]" 1 1065 1 11 PHE QD 1 14 GLU QB 5.500 . 5.500 4.929 4.764 5.216 . 0 0 "[ . 1 . 2 ]" 1 1066 1 6 ALA HA 1 14 GLU QB 5.500 . 5.500 4.190 3.954 4.886 . 0 0 "[ . 1 . 2 ]" 1 1067 1 4 VAL QG 1 14 GLU QB . . 3.500 3.019 2.818 3.132 . 0 0 "[ . 1 . 2 ]" 1 1068 1 14 GLU QB 1 53 VAL QG . . 4.500 2.255 2.110 2.930 . 0 0 "[ . 1 . 2 ]" 1 1069 1 14 GLU QB 1 15 THR MG . . 4.500 2.693 2.477 2.999 . 0 0 "[ . 1 . 2 ]" 1 1070 1 14 GLU QG 1 15 THR H 5.500 . 5.500 4.546 4.445 4.622 . 0 0 "[ . 1 . 2 ]" 1 1071 1 6 ALA MB 1 14 GLU QG 4.500 . 4.500 3.806 3.292 4.049 . 0 0 "[ . 1 . 2 ]" 1 1072 1 14 GLU QG 1 53 VAL QG 5.500 . 5.500 2.963 2.808 3.800 . 0 0 "[ . 1 . 2 ]" 1 1073 1 15 THR HA 1 20 VAL HB 5.500 . 5.500 2.940 2.527 3.780 . 0 0 "[ . 1 . 2 ]" 1 1074 1 15 THR HA 1 20 VAL QG 2.800 . 2.800 2.019 1.979 2.076 . 0 0 "[ . 1 . 2 ]" 1 1075 1 15 THR HA 1 15 THR MG . . 2.800 2.498 2.415 2.557 . 0 0 "[ . 1 . 2 ]" 1 1076 1 15 THR HA 1 53 VAL QG 5.500 . 5.500 4.011 3.759 4.291 . 0 0 "[ . 1 . 2 ]" 1 1077 1 15 THR HB 1 16 SER H 5.500 . 5.500 4.291 4.153 4.392 . 0 0 "[ . 1 . 2 ]" 1 1078 1 11 PHE QD 1 15 THR HB 5.500 . 5.500 5.310 4.973 5.506 0.006 7 0 "[ . 1 . 2 ]" 1 1079 1 15 THR HB 1 20 VAL HB 5.500 . 5.500 3.517 2.917 5.275 . 0 0 "[ . 1 . 2 ]" 1 1080 1 15 THR HB 1 78 LEU QB 5.500 . 5.500 2.594 2.302 2.876 . 0 0 "[ . 1 . 2 ]" 1 1081 1 15 THR HB 1 22 ALA MB 5.500 . 5.500 4.614 4.274 5.074 . 0 0 "[ . 1 . 2 ]" 1 1082 1 15 THR HB 1 20 VAL QG 2.800 . 2.800 2.150 2.014 2.525 . 0 0 "[ . 1 . 2 ]" 1 1083 1 15 THR HB 1 53 VAL QG 5.500 . 5.500 4.689 4.166 5.050 . 0 0 "[ . 1 . 2 ]" 1 1084 1 15 THR MG 1 53 VAL QG 2.800 . 2.800 2.431 2.114 2.723 . 0 0 "[ . 1 . 2 ]" 1 1085 1 15 THR MG 1 20 VAL QG . . 3.500 2.085 1.927 2.232 . 0 0 "[ . 1 . 2 ]" 1 1086 1 15 THR MG 1 20 VAL QG 2.800 . 2.800 1.941 1.849 2.139 . 0 0 "[ . 1 . 2 ]" 1 1087 1 15 THR MG 1 22 ALA MB 3.500 . 3.500 2.791 2.602 3.051 . 0 0 "[ . 1 . 2 ]" 1 1088 1 15 THR MG 1 51 LYS QG 5.500 . 5.500 4.446 4.187 4.692 . 0 0 "[ . 1 . 2 ]" 1 1089 1 15 THR MG 1 53 VAL HB 5.500 . 5.500 3.487 3.087 4.056 . 0 0 "[ . 1 . 2 ]" 1 1090 1 15 THR MG 1 20 VAL HB 4.500 . 4.500 3.063 2.576 4.121 . 0 0 "[ . 1 . 2 ]" 1 1091 1 11 PHE HA 1 15 THR MG 5.500 . 5.500 3.237 2.430 3.517 . 0 0 "[ . 1 . 2 ]" 1 1092 1 6 ALA HA 1 15 THR MG 5.500 . 5.500 5.619 5.511 6.524 1.024 1 1 "[+ . 1 . 2 ]" 1 1093 1 15 THR MG 1 20 VAL HA 5.500 . 5.500 4.482 4.299 4.827 . 0 0 "[ . 1 . 2 ]" 1 1094 1 15 THR MG 1 22 ALA HA 5.500 . 5.500 4.510 4.252 4.761 . 0 0 "[ . 1 . 2 ]" 1 1095 1 11 PHE QD 1 15 THR MG 3.500 . 3.500 3.110 2.813 3.534 0.034 1 0 "[ . 1 . 2 ]" 1 1096 1 13 ALA H 1 15 THR MG 5.500 . 5.500 3.733 3.354 3.935 . 0 0 "[ . 1 . 2 ]" 1 1097 1 15 THR MG 1 20 VAL H 5.500 . 5.500 4.928 4.765 5.390 . 0 0 "[ . 1 . 2 ]" 1 1098 1 16 SER HA 1 17 GLU H 4.500 . 4.500 3.368 3.307 3.437 . 0 0 "[ . 1 . 2 ]" 1 1099 1 15 THR H 1 16 SER HA 5.500 . 5.500 4.676 4.559 4.831 . 0 0 "[ . 1 . 2 ]" 1 1100 1 16 SER HA 1 17 GLU HA 4.500 . 4.500 4.521 4.468 4.566 0.066 1 0 "[ . 1 . 2 ]" 1 1101 1 16 SER HA 1 81 GLY QA 2.800 . 2.800 2.048 1.921 2.234 . 0 0 "[ . 1 . 2 ]" 1 1102 1 16 SER HA 1 16 SER QB 2.800 . 2.800 2.384 2.335 2.414 . 0 0 "[ . 1 . 2 ]" 1 1103 1 16 SER HA 1 17 GLU QG 4.500 . 4.500 4.421 4.332 4.500 . 0 0 "[ . 1 . 2 ]" 1 1104 1 16 SER HA 1 20 VAL QG 5.500 . 5.500 4.312 3.620 4.674 . 0 0 "[ . 1 . 2 ]" 1 1105 1 15 THR H 1 16 SER QB 5.500 . 5.500 4.314 4.217 4.431 . 0 0 "[ . 1 . 2 ]" 1 1106 1 16 SER H 1 16 SER QB 3.500 . 3.500 2.384 2.358 2.429 . 0 0 "[ . 1 . 2 ]" 1 1107 1 16 SER QB 1 17 GLU HA 4.500 . 4.500 4.418 4.321 4.510 0.010 17 0 "[ . 1 . 2 ]" 1 1108 1 16 SER QB 1 81 GLY QA . . 3.500 3.376 2.724 3.640 0.140 1 0 "[ . 1 . 2 ]" 1 1109 1 16 SER QB 1 17 GLU QG . . 3.500 2.901 2.712 3.117 . 0 0 "[ . 1 . 2 ]" 1 1110 1 13 ALA MB 1 16 SER QB 5.500 . 5.500 4.887 4.587 5.169 . 0 0 "[ . 1 . 2 ]" 1 1111 1 17 GLU QB 1 80 ASP H 5.500 . 5.500 5.424 5.277 5.513 0.013 5 0 "[ . 1 . 2 ]" 1 1112 1 16 SER H 1 17 GLU QB 5.500 . 5.500 4.683 4.596 5.037 . 0 0 "[ . 1 . 2 ]" 1 1113 1 17 GLU HA 1 17 GLU QB 2.800 . 2.800 2.417 2.387 2.455 . 0 0 "[ . 1 . 2 ]" 1 1114 1 14 GLU HA 1 17 GLU QB 5.500 . 5.500 4.355 4.199 4.471 . 0 0 "[ . 1 . 2 ]" 1 1115 1 14 GLU HA 1 17 GLU QB 5.500 . 5.500 5.056 4.786 5.211 . 0 0 "[ . 1 . 2 ]" 1 1116 1 16 SER HA 1 17 GLU QB 4.500 . 4.500 3.403 3.329 3.477 . 0 0 "[ . 1 . 2 ]" 1 1117 1 16 SER QB 1 17 GLU QB 4.500 . 4.500 3.445 3.369 3.526 . 0 0 "[ . 1 . 2 ]" 1 1118 1 17 GLU QB 1 18 GLY QA 5.500 . 5.500 3.671 3.543 3.761 . 0 0 "[ . 1 . 2 ]" 1 1119 1 17 GLU QB 1 20 VAL QG 5.500 . 5.500 4.551 4.275 5.505 0.005 17 0 "[ . 1 . 2 ]" 1 1120 1 17 GLU HA 1 17 GLU QG 2.800 . 2.800 2.408 2.396 2.420 . 0 0 "[ . 1 . 2 ]" 1 1121 1 18 GLY QA 1 19 VAL HA 5.500 . 5.500 3.804 3.787 3.838 . 0 0 "[ . 1 . 2 ]" 1 1122 1 17 GLU HA 1 18 GLY QA 4.500 . 4.500 4.034 3.998 4.063 . 0 0 "[ . 1 . 2 ]" 1 1123 1 18 GLY QA 1 80 ASP HA 4.500 . 4.500 4.597 4.524 4.991 0.491 1 0 "[ . 1 . 2 ]" 1 1124 1 18 GLY QA 1 19 VAL HB 4.500 . 4.500 4.533 4.466 4.580 0.080 18 0 "[ . 1 . 2 ]" 1 1125 1 18 GLY QA 1 20 VAL HB 5.500 . 5.500 4.169 3.824 4.683 . 0 0 "[ . 1 . 2 ]" 1 1126 1 17 GLU QB 1 18 GLY QA 5.500 . 5.500 3.472 3.335 3.573 . 0 0 "[ . 1 . 2 ]" 1 1127 1 18 GLY QA 1 19 VAL QG . . 4.500 3.324 3.237 3.432 . 0 0 "[ . 1 . 2 ]" 1 1128 1 18 GLY QA 1 19 VAL QG . . 4.500 3.015 2.839 3.242 . 0 0 "[ . 1 . 2 ]" 1 1129 1 19 VAL HA 1 78 LEU H 5.500 . 5.500 4.950 4.776 5.127 . 0 0 "[ . 1 . 2 ]" 1 1130 1 19 VAL HA 1 20 VAL H 3.500 . 3.500 2.083 2.012 2.224 . 0 0 "[ . 1 . 2 ]" 1 1131 1 19 VAL HA 1 51 LYS H 5.500 . 5.500 5.595 5.535 5.671 0.171 5 0 "[ . 1 . 2 ]" 1 1132 1 19 VAL HA 1 79 LYS QB 5.500 . 5.500 3.019 2.409 4.173 . 0 0 "[ . 1 . 2 ]" 1 1133 1 19 VAL HA 1 19 VAL QG . . 2.800 2.091 2.069 2.144 . 0 0 "[ . 1 . 2 ]" 1 1134 1 82 GLU HA 1 82 GLU QB 2.800 . 2.800 2.158 2.146 2.181 . 0 0 "[ . 1 . 2 ]" 1 1135 1 19 VAL HB 1 81 GLY QA 2.800 . 2.800 2.863 2.809 3.197 0.397 1 0 "[ . 1 . 2 ]" 1 1136 1 18 GLY QA 1 19 VAL HB 5.500 . 5.500 4.164 4.092 4.208 . 0 0 "[ . 1 . 2 ]" 1 1137 1 19 VAL HB 1 20 VAL HB 5.500 . 5.500 3.804 3.514 4.185 . 0 0 "[ . 1 . 2 ]" 1 1138 1 19 VAL HB 1 104 LEU QB 3.500 . 3.500 3.409 2.784 3.805 0.305 1 0 "[ . 1 . 2 ]" 1 1139 1 19 VAL HB 1 79 LYS QB 4.500 . 4.500 3.984 3.796 4.171 . 0 0 "[ . 1 . 2 ]" 1 1140 1 19 VAL HB 1 50 LEU QD 5.500 . 5.500 2.159 2.049 2.253 . 0 0 "[ . 1 . 2 ]" 1 1141 1 19 VAL QG 1 78 LEU H 5.500 . 5.500 4.011 3.849 4.164 . 0 0 "[ . 1 . 2 ]" 1 1142 1 19 VAL QG 1 21 LEU H 5.500 . 5.500 3.941 3.825 4.123 . 0 0 "[ . 1 . 2 ]" 1 1143 1 19 VAL QG 1 103 HIS HD2 5.500 . 5.500 5.117 4.875 5.449 . 0 0 "[ . 1 . 2 ]" 1 1144 1 19 VAL QG 1 20 VAL HA 5.500 . 5.500 3.929 3.847 4.058 . 0 0 "[ . 1 . 2 ]" 1 1145 1 19 VAL HA 1 19 VAL QG 2.800 . 2.800 2.030 1.979 2.103 . 0 0 "[ . 1 . 2 ]" 1 1146 1 19 VAL QG 1 50 LEU HA 4.500 . 4.500 4.226 4.116 4.368 . 0 0 "[ . 1 . 2 ]" 1 1147 1 19 VAL QG 1 104 LEU HA . . 3.500 1.898 1.826 1.993 . 0 0 "[ . 1 . 2 ]" 1 1148 1 19 VAL QG 1 103 HIS QB 5.500 . 5.500 3.285 2.763 4.307 . 0 0 "[ . 1 . 2 ]" 1 1149 1 19 VAL QG 1 79 LYS QB 3.500 . 3.500 2.049 1.846 3.099 . 0 0 "[ . 1 . 2 ]" 1 1150 1 19 VAL QG 1 104 LEU QB 2.800 . 2.800 2.405 2.215 2.572 . 0 0 "[ . 1 . 2 ]" 1 1151 1 19 VAL QG 1 21 LEU QB 4.500 . 4.500 4.330 4.109 4.506 0.006 21 0 "[ . 1 . 2 ]" 1 1152 1 19 VAL QG 1 104 LEU H 5.500 . 5.500 3.255 3.053 3.534 . 0 0 "[ . 1 . 2 ]" 1 1153 1 19 VAL QG 1 79 LYS QE . . 3.500 2.637 2.039 3.531 0.031 13 0 "[ . 1 . 2 ]" 1 1154 1 20 VAL HA 1 21 LEU HA 5.500 . 5.500 3.668 3.543 3.786 . 0 0 "[ . 1 . 2 ]" 1 1155 1 3 ILE HA 1 20 VAL HA 4.500 . 4.500 3.909 3.858 3.956 . 0 0 "[ . 1 . 2 ]" 1 1156 1 20 VAL HA 1 50 LEU HG 5.500 . 5.500 3.740 3.472 4.417 . 0 0 "[ . 1 . 2 ]" 1 1157 1 21 LEU QB 1 52 ILE HA 5.500 . 5.500 2.666 2.310 2.935 . 0 0 "[ . 1 . 2 ]" 1 1158 1 20 VAL HA 1 20 VAL QG 2.800 . 2.800 1.935 1.889 2.044 . 0 0 "[ . 1 . 2 ]" 1 1159 1 20 VAL HA 1 20 VAL QG 2.800 . 2.800 2.123 2.059 2.304 . 0 0 "[ . 1 . 2 ]" 1 1160 1 20 VAL HA 1 53 VAL QG 3.500 . 3.500 3.200 3.034 3.326 . 0 0 "[ . 1 . 2 ]" 1 1161 1 20 VAL HB 1 21 LEU H 5.500 . 5.500 4.083 3.803 4.151 . 0 0 "[ . 1 . 2 ]" 1 1162 1 19 VAL HA 1 20 VAL HB 5.500 . 5.500 4.040 3.894 4.249 . 0 0 "[ . 1 . 2 ]" 1 1163 1 19 VAL H 1 20 VAL QG 5.500 . 5.500 3.683 3.188 4.580 . 0 0 "[ . 1 . 2 ]" 1 1164 1 20 VAL QG 1 78 LEU H 5.500 . 5.500 3.957 2.751 4.453 . 0 0 "[ . 1 . 2 ]" 1 1165 1 20 VAL QG 1 21 LEU HA . . 4.500 3.488 3.095 3.667 . 0 0 "[ . 1 . 2 ]" 1 1166 1 19 VAL HA 1 20 VAL QG 4.500 . 4.500 3.003 2.750 3.231 . 0 0 "[ . 1 . 2 ]" 1 1167 1 17 GLU HA 1 20 VAL QG 4.500 . 4.500 3.915 3.807 4.150 . 0 0 "[ . 1 . 2 ]" 1 1168 1 18 GLY QA 1 20 VAL QG 4.500 . 4.500 3.562 3.086 4.518 0.018 17 0 "[ . 1 . 2 ]" 1 1169 1 15 THR HB 1 20 VAL QG 4.500 . 4.500 3.160 2.283 3.445 . 0 0 "[ . 1 . 2 ]" 1 1170 1 19 VAL HB 1 20 VAL QG 5.500 . 5.500 4.814 4.528 5.355 . 0 0 "[ . 1 . 2 ]" 1 1171 1 20 VAL QG 1 51 LYS QD 2.800 . 2.800 2.246 2.078 2.789 . 0 0 "[ . 1 . 2 ]" 1 1172 1 20 VAL QG 1 51 LYS QG 3.500 . 3.500 2.506 2.203 2.863 . 0 0 "[ . 1 . 2 ]" 1 1173 1 20 VAL QG 1 80 ASP H 5.500 . 5.500 4.192 3.891 4.532 . 0 0 "[ . 1 . 2 ]" 1 1174 1 20 VAL QG 1 22 ALA H 5.500 . 5.500 4.006 3.400 4.574 . 0 0 "[ . 1 . 2 ]" 1 1175 1 20 VAL QG 1 53 VAL HB 3.500 . 3.500 3.402 3.223 3.642 0.142 17 0 "[ . 1 . 2 ]" 1 1176 1 20 VAL QG 1 78 LEU QB 4.500 . 4.500 3.187 2.017 3.617 . 0 0 "[ . 1 . 2 ]" 1 1177 1 20 VAL QG 1 21 LEU QB 5.500 . 5.500 3.160 2.928 3.358 . 0 0 "[ . 1 . 2 ]" 1 1178 1 21 LEU HA 1 22 ALA H 4.500 . 4.500 2.291 2.219 2.343 . 0 0 "[ . 1 . 2 ]" 1 1179 1 21 LEU HA 1 77 VAL HA 5.500 . 5.500 2.374 2.101 2.594 . 0 0 "[ . 1 . 2 ]" 1 1180 1 21 LEU HA 1 21 LEU HG 4.500 . 4.500 2.901 2.305 3.501 . 0 0 "[ . 1 . 2 ]" 1 1181 1 21 LEU HA 1 21 LEU QD . . 2.800 2.132 1.899 2.536 . 0 0 "[ . 1 . 2 ]" 1 1182 1 76 LEU HA 1 76 LEU QD 2.800 . 2.800 2.327 2.262 2.505 . 0 0 "[ . 1 . 2 ]" 1 1183 1 20 VAL QG 1 21 LEU HA 3.500 . 3.500 3.304 3.126 3.515 0.015 13 0 "[ . 1 . 2 ]" 1 1184 1 21 LEU QB 1 50 LEU QD 2.800 . 2.800 2.068 1.995 2.212 . 0 0 "[ . 1 . 2 ]" 1 1185 1 21 LEU QB 1 52 ILE QG 5.500 . 5.500 2.216 2.042 2.374 . 0 0 "[ . 1 . 2 ]" 1 1186 1 21 LEU QD 1 100 VAL QG 3.500 . 3.500 2.365 2.153 2.676 . 0 0 "[ . 1 . 2 ]" 1 1187 1 21 LEU QD 1 77 VAL QG 2.800 . 2.800 1.629 1.526 1.731 0.274 3 0 "[ . 1 . 2 ]" 1 1188 1 21 LEU QB 1 21 LEU QD 2.800 . 2.800 1.950 1.897 2.077 . 0 0 "[ . 1 . 2 ]" 1 1189 1 21 LEU QD 1 96 LEU HG 3.500 . 3.500 2.909 2.245 3.570 0.070 10 0 "[ . 1 . 2 ]" 1 1190 1 21 LEU QD 1 100 VAL HB 2.800 . 2.800 2.283 2.035 2.636 . 0 0 "[ . 1 . 2 ]" 1 1191 1 21 LEU QD 1 23 ASP QB 4.500 . 4.500 2.028 1.833 2.281 . 0 0 "[ . 1 . 2 ]" 1 1192 1 85 GLU QG 1 99 LEU QD . . 3.500 2.473 1.951 3.014 . 0 0 "[ . 1 . 2 ]" 1 1193 1 75 LEU QD 1 87 SER QB . . 2.800 2.374 2.128 2.803 0.003 8 0 "[ . 1 . 2 ]" 1 1194 1 66 LYS HA 1 66 LYS QG 2.800 . 2.800 2.517 2.445 2.647 . 0 0 "[ . 1 . 2 ]" 1 1195 1 99 LEU HA 1 99 LEU QD 2.800 . 2.800 2.248 2.110 2.465 . 0 0 "[ . 1 . 2 ]" 1 1196 1 21 LEU QD 1 74 THR HA 4.500 . 4.500 3.016 2.612 3.674 . 0 0 "[ . 1 . 2 ]" 1 1197 1 21 LEU QD 1 23 ASP HA 5.500 . 5.500 2.348 2.106 3.069 . 0 0 "[ . 1 . 2 ]" 1 1198 1 21 LEU HA 1 21 LEU QD 3.500 . 3.500 2.423 2.110 3.109 . 0 0 "[ . 1 . 2 ]" 1 1199 1 75 LEU HA 1 75 LEU QD . . 3.500 2.286 2.144 2.797 . 0 0 "[ . 1 . 2 ]" 1 1200 1 21 LEU QD 1 103 HIS HD2 5.500 . 5.500 3.878 3.452 4.398 . 0 0 "[ . 1 . 2 ]" 1 1201 1 21 LEU QD 1 100 VAL H 4.500 . 4.500 3.423 3.214 3.570 . 0 0 "[ . 1 . 2 ]" 1 1202 1 21 LEU QD 1 77 VAL H 5.500 . 5.500 3.212 2.762 3.584 . 0 0 "[ . 1 . 2 ]" 1 1203 1 21 LEU QD 1 76 LEU H 5.500 . 5.500 3.109 2.474 3.429 . 0 0 "[ . 1 . 2 ]" 1 1204 1 21 LEU QD 1 24 PHE H 5.500 . 5.500 3.366 3.072 3.627 . 0 0 "[ . 1 . 2 ]" 1 1205 1 21 LEU QD 1 22 ALA H 5.500 . 5.500 2.920 2.374 3.290 . 0 0 "[ . 1 . 2 ]" 1 1206 1 21 LEU QD 1 22 ALA H 5.500 . 5.500 2.706 2.299 3.128 . 0 0 "[ . 1 . 2 ]" 1 1207 1 78 LEU H 1 78 LEU QD 4.500 . 4.500 2.664 2.418 3.248 . 0 0 "[ . 1 . 2 ]" 1 1208 1 20 VAL H 1 21 LEU QD 5.500 . 5.500 3.815 3.295 4.325 . 0 0 "[ . 1 . 2 ]" 1 1209 1 78 LEU QD 1 79 LYS H . . 4.500 3.836 3.759 3.912 . 0 0 "[ . 1 . 2 ]" 1 1210 1 77 VAL H 1 78 LEU QD 5.500 . 5.500 3.941 3.348 4.431 . 0 0 "[ . 1 . 2 ]" 1 1211 1 21 LEU QD 1 82 GLU H 5.500 . 5.500 3.473 3.206 3.766 . 0 0 "[ . 1 . 2 ]" 1 1212 1 11 PHE QD 1 78 LEU QD 4.500 . 4.500 3.829 3.607 4.198 . 0 0 "[ . 1 . 2 ]" 1 1213 1 21 LEU HA 1 21 LEU QD 3.500 . 3.500 2.263 2.014 2.678 . 0 0 "[ . 1 . 2 ]" 1 1214 1 21 LEU QD 1 23 ASP HA 5.500 . 5.500 3.458 2.946 3.935 . 0 0 "[ . 1 . 2 ]" 1 1215 1 21 LEU QD 1 77 VAL HA 4.500 . 4.500 2.777 2.487 3.164 . 0 0 "[ . 1 . 2 ]" 1 1216 1 15 THR HA 1 78 LEU QD 5.500 . 5.500 4.066 3.899 4.393 . 0 0 "[ . 1 . 2 ]" 1 1217 1 15 THR HB 1 78 LEU QD 3.500 . 3.500 2.212 2.085 2.622 . 0 0 "[ . 1 . 2 ]" 1 1218 1 78 LEU QD 1 82 GLU QB . . 4.500 3.527 2.348 3.958 . 0 0 "[ . 1 . 2 ]" 1 1219 1 78 LEU QB 1 78 LEU QD 2.800 . 2.800 1.935 1.915 1.984 . 0 0 "[ . 1 . 2 ]" 1 1220 1 21 LEU QD 1 75 LEU QB 2.800 . 2.800 2.212 1.945 2.570 . 0 0 "[ . 1 . 2 ]" 1 1221 1 21 LEU QB 1 21 LEU QD 2.800 . 2.800 1.826 1.792 1.907 0.008 10 0 "[ . 1 . 2 ]" 1 1222 1 21 LEU QD 1 75 LEU QD 2.800 . 2.800 1.765 1.711 1.851 0.089 17 0 "[ . 1 . 2 ]" 1 1223 1 15 THR MG 1 78 LEU QD 3.500 . 3.500 2.349 2.098 2.787 . 0 0 "[ . 1 . 2 ]" 1 1224 1 22 ALA HA 1 75 LEU HA 5.500 . 5.500 5.557 5.503 5.624 0.124 8 0 "[ . 1 . 2 ]" 1 1225 1 22 ALA HA 1 23 ASP HA 3.500 . 3.500 3.476 3.391 3.537 0.037 1 0 "[ . 1 . 2 ]" 1 1226 1 22 ALA HA 1 23 ASP QB 5.500 . 5.500 3.839 3.743 3.956 . 0 0 "[ . 1 . 2 ]" 1 1227 1 22 ALA HA 1 53 VAL HB . . 4.500 2.968 2.571 4.568 0.068 6 0 "[ . 1 . 2 ]" 1 1228 1 22 ALA HA 1 52 ILE QG 4.500 . 4.500 4.541 4.394 4.600 0.100 18 0 "[ . 1 . 2 ]" 1 1229 1 20 VAL QG 1 22 ALA HA 4.500 . 4.500 3.487 3.103 3.833 . 0 0 "[ . 1 . 2 ]" 1 1230 1 20 VAL QG 1 22 ALA HA 3.500 . 3.500 3.519 3.191 3.611 0.111 1 0 "[ . 1 . 2 ]" 1 1231 1 22 ALA HA 1 53 VAL QG 3.500 . 3.500 3.391 2.013 3.722 0.222 5 0 "[ . 1 . 2 ]" 1 1232 1 11 PHE QD 1 22 ALA HA 5.500 . 5.500 5.104 4.989 5.421 . 0 0 "[ . 1 . 2 ]" 1 1233 1 22 ALA MB 1 55 ILE MD 5.500 . 5.500 4.801 4.619 4.978 . 0 0 "[ . 1 . 2 ]" 1 1234 1 22 ALA MB 1 53 VAL QG 3.500 . 3.500 3.196 2.002 3.441 . 0 0 "[ . 1 . 2 ]" 1 1235 1 21 LEU QD 1 22 ALA MB 2.800 . 2.800 2.471 2.151 2.996 0.196 6 0 "[ . 1 . 2 ]" 1 1236 1 22 ALA MB 1 76 LEU QD 3.500 . 3.500 3.285 3.049 3.553 0.053 16 0 "[ . 1 . 2 ]" 1 1237 1 22 ALA MB 1 76 LEU QB . . 2.800 2.318 2.190 2.521 . 0 0 "[ . 1 . 2 ]" 1 1238 1 22 ALA MB 1 23 ASP QB 5.500 . 5.500 4.475 4.412 4.698 . 0 0 "[ . 1 . 2 ]" 1 1239 1 22 ALA MB 1 77 VAL HA 5.500 . 5.500 4.448 4.172 4.623 . 0 0 "[ . 1 . 2 ]" 1 1240 1 22 ALA MB 1 23 ASP HA 4.500 . 4.500 3.691 3.603 3.785 . 0 0 "[ . 1 . 2 ]" 1 1241 1 22 ALA MB 1 75 LEU HA 5.500 . 5.500 4.459 4.349 4.706 . 0 0 "[ . 1 . 2 ]" 1 1242 1 11 PHE QD 1 22 ALA MB 2.800 . 2.800 2.920 2.846 3.364 0.564 1 1 "[+ . 1 . 2 ]" 1 1243 1 22 ALA MB 1 24 PHE QD 4.500 . 4.500 3.869 3.623 3.968 . 0 0 "[ . 1 . 2 ]" 1 1244 1 23 ASP HA 1 24 PHE QD 5.500 . 5.500 2.602 2.532 2.703 . 0 0 "[ . 1 . 2 ]" 1 1245 1 23 ASP HA 1 75 LEU HA 5.500 . 5.500 2.404 2.151 2.577 . 0 0 "[ . 1 . 2 ]" 1 1246 1 21 LEU HA 1 23 ASP HA 4.500 . 4.500 4.417 4.391 4.454 . 0 0 "[ . 1 . 2 ]" 1 1247 1 23 ASP HA 1 75 LEU QB 5.500 . 5.500 3.546 2.624 3.838 . 0 0 "[ . 1 . 2 ]" 1 1248 1 21 LEU HG 1 23 ASP HA 5.500 . 5.500 3.952 3.490 4.276 . 0 0 "[ . 1 . 2 ]" 1 1249 1 21 LEU QB 1 23 ASP HA 5.500 . 5.500 4.160 4.101 4.333 . 0 0 "[ . 1 . 2 ]" 1 1250 1 23 ASP HA 1 75 LEU QD . . 3.500 2.460 2.144 3.612 0.112 3 0 "[ . 1 . 2 ]" 1 1251 1 23 ASP HA 1 39 LEU QD 5.500 . 5.500 4.095 3.969 4.215 . 0 0 "[ . 1 . 2 ]" 1 1252 1 55 ILE MG 1 60 ASN QB 5.500 . 5.500 3.405 2.502 4.383 . 0 0 "[ . 1 . 2 ]" 1 1253 1 55 ILE MD 1 60 ASN QB 5.500 . 5.500 3.169 2.387 4.011 . 0 0 "[ . 1 . 2 ]" 1 1254 1 23 ASP QB 1 39 LEU QD 4.500 . 4.500 2.121 1.959 2.422 . 0 0 "[ . 1 . 2 ]" 1 1255 1 23 ASP QB 1 75 LEU QD . . 4.500 2.361 2.089 3.370 . 0 0 "[ . 1 . 2 ]" 1 1256 1 6 ALA MB 1 60 ASN QB 5.500 . 5.500 3.868 3.460 4.536 . 0 0 "[ . 1 . 2 ]" 1 1257 1 7 THR HA 1 60 ASN QB 4.500 . 4.500 2.680 2.266 3.906 . 0 0 "[ . 1 . 2 ]" 1 1258 1 21 LEU HA 1 23 ASP QB 5.500 . 5.500 3.788 3.696 3.898 . 0 0 "[ . 1 . 2 ]" 1 1259 1 24 PHE HA 1 56 ASP HA 5.500 . 5.500 4.441 4.300 4.658 . 0 0 "[ . 1 . 2 ]" 1 1260 1 24 PHE HA 1 55 ILE HB 5.500 . 5.500 2.418 2.209 2.590 . 0 0 "[ . 1 . 2 ]" 1 1261 1 24 PHE HA 1 35 ILE MG 5.500 . 5.500 2.851 2.435 3.351 . 0 0 "[ . 1 . 2 ]" 1 1262 1 24 PHE HA 1 55 ILE MG . . 4.500 3.324 3.140 3.779 . 0 0 "[ . 1 . 2 ]" 1 1263 1 24 PHE QB 1 72 ILE MD 5.500 . 5.500 3.757 2.431 4.851 . 0 0 "[ . 1 . 2 ]" 1 1264 1 24 PHE QB 1 72 ILE MG 5.500 . 5.500 4.079 3.744 4.551 . 0 0 "[ . 1 . 2 ]" 1 1265 1 24 PHE QB 1 69 VAL QG 5.500 . 5.500 2.827 2.543 3.225 . 0 0 "[ . 1 . 2 ]" 1 1266 1 24 PHE QB 1 55 ILE HB 5.500 . 5.500 2.147 2.021 2.518 . 0 0 "[ . 1 . 2 ]" 1 1267 1 26 ALA HA 1 28 TRP HE1 5.500 . 5.500 5.458 5.215 5.580 0.080 13 0 "[ . 1 . 2 ]" 1 1268 1 26 ALA HA 1 72 ILE MD 5.500 . 5.500 4.807 4.003 5.438 . 0 0 "[ . 1 . 2 ]" 1 1269 1 26 ALA HA 1 57 VAL QG 5.500 . 5.500 3.749 2.744 4.451 . 0 0 "[ . 1 . 2 ]" 1 1270 1 26 ALA HA 1 27 PRO QG 4.500 . 4.500 3.925 3.828 4.020 . 0 0 "[ . 1 . 2 ]" 1 1271 1 26 ALA HA 1 27 PRO QD 3.500 . 3.500 2.066 2.020 2.131 . 0 0 "[ . 1 . 2 ]" 1 1272 1 26 ALA HA 1 56 ASP HA 5.500 . 5.500 4.014 3.825 4.457 . 0 0 "[ . 1 . 2 ]" 1 1273 1 26 ALA HA 1 27 PRO HA 5.500 . 5.500 4.292 4.193 4.408 . 0 0 "[ . 1 . 2 ]" 1 1274 1 25 TRP HE3 1 26 ALA HA 5.500 . 5.500 3.881 3.598 4.337 . 0 0 "[ . 1 . 2 ]" 1 1275 1 26 ALA HA 1 28 TRP HD1 5.500 . 5.500 4.617 4.355 4.854 . 0 0 "[ . 1 . 2 ]" 1 1276 1 26 ALA MB 1 28 TRP HE1 3.500 . 3.500 2.732 2.490 3.187 . 0 0 "[ . 1 . 2 ]" 1 1277 1 26 ALA MB 1 72 ILE MD 2.800 . 2.800 2.445 2.011 2.820 0.020 8 0 "[ . 1 . 2 ]" 1 1278 1 26 ALA MB 1 57 VAL HB 5.500 . 5.500 3.540 2.012 4.168 . 0 0 "[ . 1 . 2 ]" 1 1279 1 26 ALA MB 1 27 PRO QD 3.500 . 3.500 2.154 2.080 2.387 . 0 0 "[ . 1 . 2 ]" 1 1280 1 11 PHE QB 1 26 ALA MB 5.500 . 5.500 3.868 3.635 4.021 . 0 0 "[ . 1 . 2 ]" 1 1281 1 26 ALA MB 1 27 PRO HA 5.500 . 5.500 4.400 4.305 4.457 . 0 0 "[ . 1 . 2 ]" 1 1282 1 6 ALA HA 1 26 ALA MB 4.500 . 4.500 3.024 2.876 3.583 . 0 0 "[ . 1 . 2 ]" 1 1283 1 25 TRP HD1 1 26 ALA MB 5.500 . 5.500 5.352 5.110 5.587 0.087 11 0 "[ . 1 . 2 ]" 1 1284 1 26 ALA MB 1 28 TRP HD1 3.500 . 3.500 1.980 1.868 2.109 . 0 0 "[ . 1 . 2 ]" 1 1285 1 26 ALA MB 1 57 VAL QG 2.800 . 2.800 2.016 1.778 2.830 0.030 2 0 "[ . 1 . 2 ]" 1 1286 1 27 PRO HA 1 33 LYS QG 5.500 . 5.500 4.777 4.447 5.535 0.035 18 0 "[ . 1 . 2 ]" 1 1287 1 27 PRO HA 1 27 PRO QG 3.500 . 3.500 2.790 2.731 2.870 . 0 0 "[ . 1 . 2 ]" 1 1288 1 25 TRP HZ3 1 27 PRO HA 4.500 . 4.500 4.397 3.964 4.541 0.041 7 0 "[ . 1 . 2 ]" 1 1289 1 25 TRP HE3 1 27 PRO HA 5.500 . 5.500 3.733 3.446 4.074 . 0 0 "[ . 1 . 2 ]" 1 1290 1 25 TRP HE3 1 27 PRO QB 5.500 . 5.500 4.725 4.562 4.994 . 0 0 "[ . 1 . 2 ]" 1 1291 1 25 TRP HZ3 1 27 PRO QB 5.500 . 5.500 5.398 4.868 5.602 0.102 1 0 "[ . 1 . 2 ]" 1 1292 1 27 PRO QB 1 28 TRP H 5.500 . 5.500 3.216 2.978 3.397 . 0 0 "[ . 1 . 2 ]" 1 1293 1 34 MET ME 1 34 MET QG 2.800 . 2.800 2.438 2.240 2.475 . 0 0 "[ . 1 . 2 ]" 1 1294 1 69 VAL QG 1 70 MET QG 5.500 . 5.500 4.163 3.728 4.825 . 0 0 "[ . 1 . 2 ]" 1 1295 1 25 TRP HZ2 1 27 PRO QG 5.500 . 5.500 5.561 5.518 6.113 0.613 1 1 "[+ . 1 . 2 ]" 1 1296 1 27 PRO QG 1 28 TRP HD1 5.500 . 5.500 5.543 5.317 5.889 0.389 1 0 "[ . 1 . 2 ]" 1 1297 1 25 TRP HE3 1 27 PRO QG 5.500 . 5.500 5.034 4.706 5.286 . 0 0 "[ . 1 . 2 ]" 1 1298 1 25 TRP HZ3 1 27 PRO QG 5.500 . 5.500 4.023 3.366 4.443 . 0 0 "[ . 1 . 2 ]" 1 1299 1 27 PRO QG 1 28 TRP H 5.500 . 5.500 4.371 4.160 4.468 . 0 0 "[ . 1 . 2 ]" 1 1300 1 26 ALA MB 1 27 PRO QG 5.500 . 5.500 3.962 3.869 4.178 . 0 0 "[ . 1 . 2 ]" 1 1301 1 27 PRO QD 1 28 TRP HD1 5.500 . 5.500 4.092 3.872 4.458 . 0 0 "[ . 1 . 2 ]" 1 1302 1 25 TRP HE3 1 27 PRO QD 5.500 . 5.500 4.421 4.144 4.629 . 0 0 "[ . 1 . 2 ]" 1 1303 1 27 PRO QD 1 59 GLU H 5.500 . 5.500 5.258 4.920 5.530 0.030 11 0 "[ . 1 . 2 ]" 1 1304 1 27 PRO QB 1 27 PRO QD . . 3.500 2.665 2.633 2.684 . 0 0 "[ . 1 . 2 ]" 1 1305 1 28 TRP HA 1 28 TRP HD1 4.500 . 4.500 4.496 4.189 4.674 0.174 1 0 "[ . 1 . 2 ]" 1 1306 1 28 TRP HA 1 29 CYS HA 4.500 . 4.500 4.545 4.507 4.639 0.139 1 0 "[ . 1 . 2 ]" 1 1307 1 28 TRP HA 1 28 TRP QB 2.800 . 2.800 2.280 2.254 2.325 . 0 0 "[ . 1 . 2 ]" 1 1308 1 27 PRO QB 1 28 TRP HA 5.500 . 5.500 3.966 3.814 4.163 . 0 0 "[ . 1 . 2 ]" 1 1309 1 26 ALA MB 1 28 TRP HA 5.500 . 5.500 4.850 4.318 5.161 . 0 0 "[ . 1 . 2 ]" 1 1310 1 28 TRP QB 1 29 CYS H . . 4.500 3.025 2.635 3.283 . 0 0 "[ . 1 . 2 ]" 1 1311 1 28 TRP QB 1 29 CYS HA 5.500 . 5.500 4.254 4.050 4.547 . 0 0 "[ . 1 . 2 ]" 1 1312 1 29 CYS HA 1 30 GLY QA 4.500 . 4.500 3.909 3.845 3.958 . 0 0 "[ . 1 . 2 ]" 1 1313 1 30 GLY QA 1 31 PRO QD 5.500 . 5.500 2.457 2.393 2.530 . 0 0 "[ . 1 . 2 ]" 1 1314 1 30 GLY QA 1 33 LYS QE 5.500 . 5.500 4.028 2.088 4.425 . 0 0 "[ . 1 . 2 ]" 1 1315 1 30 GLY QA 1 33 LYS QB 5.500 . 5.500 2.583 2.382 2.850 . 0 0 "[ . 1 . 2 ]" 1 1316 1 30 GLY QA 1 33 LYS QB 5.500 . 5.500 2.575 2.377 2.839 . 0 0 "[ . 1 . 2 ]" 1 1317 1 30 GLY QA 1 31 PRO QB 5.500 . 5.500 4.741 4.654 4.780 . 0 0 "[ . 1 . 2 ]" 1 1318 1 31 PRO HA 1 34 MET H 5.500 . 5.500 3.122 3.043 3.236 . 0 0 "[ . 1 . 2 ]" 1 1319 1 31 PRO HA 1 33 LYS H 5.500 . 5.500 3.668 3.555 3.864 . 0 0 "[ . 1 . 2 ]" 1 1320 1 31 PRO HA 1 36 ALA H 5.500 . 5.500 5.521 5.330 5.746 0.246 1 0 "[ . 1 . 2 ]" 1 1321 1 31 PRO HA 1 90 PHE QB 5.500 . 5.500 3.976 3.687 4.238 . 0 0 "[ . 1 . 2 ]" 1 1322 1 31 PRO HA 1 34 MET QB 2.800 . 2.800 2.243 2.190 2.306 . 0 0 "[ . 1 . 2 ]" 1 1323 1 31 PRO HA 1 35 ILE MD 5.500 . 5.500 4.263 4.175 4.399 . 0 0 "[ . 1 . 2 ]" 1 1324 1 92 PRO HA 1 92 PRO QG . . 3.500 3.524 3.521 3.535 0.035 1 0 "[ . 1 . 2 ]" 1 1325 1 92 PRO QG 1 94 GLU QB 3.500 . 3.500 3.529 3.475 3.732 0.232 1 0 "[ . 1 . 2 ]" 1 1326 1 91 LYS QB 1 92 PRO QG 4.500 . 4.500 4.216 3.870 4.440 . 0 0 "[ . 1 . 2 ]" 1 1327 1 92 PRO QG 1 95 ALA MB 3.500 . 3.500 2.363 2.257 2.455 . 0 0 "[ . 1 . 2 ]" 1 1328 1 91 LYS QG 1 92 PRO QG 5.500 . 5.500 4.221 3.805 4.727 . 0 0 "[ . 1 . 2 ]" 1 1329 1 92 PRO QG 1 93 LYS H 5.500 . 5.500 4.071 3.904 4.153 . 0 0 "[ . 1 . 2 ]" 1 1330 1 92 PRO QB 1 94 GLU H 5.500 . 5.500 3.098 3.014 3.190 . 0 0 "[ . 1 . 2 ]" 1 1331 1 92 PRO QB 1 96 LEU H 5.500 . 5.500 4.924 4.854 5.015 . 0 0 "[ . 1 . 2 ]" 1 1332 1 92 PRO QB 1 95 ALA H 5.500 . 5.500 3.673 3.586 3.751 . 0 0 "[ . 1 . 2 ]" 1 1333 1 92 PRO QB 1 94 GLU QB 5.500 . 5.500 4.020 3.934 4.102 . 0 0 "[ . 1 . 2 ]" 1 1334 1 92 PRO QB 1 95 ALA MB 5.500 . 5.500 3.959 3.888 4.030 . 0 0 "[ . 1 . 2 ]" 1 1335 1 38 VAL QG 1 92 PRO QB 5.500 . 5.500 3.776 3.559 3.883 . 0 0 "[ . 1 . 2 ]" 1 1336 1 38 VAL QG 1 92 PRO QB 5.500 . 5.500 3.872 3.654 3.972 . 0 0 "[ . 1 . 2 ]" 1 1337 1 91 LYS HA 1 92 PRO QD 2.800 . 2.800 2.124 2.057 2.184 . 0 0 "[ . 1 . 2 ]" 1 1338 1 34 MET HA 1 37 PRO QD 4.500 . 4.500 2.694 2.634 2.746 . 0 0 "[ . 1 . 2 ]" 1 1339 1 36 ALA HA 1 37 PRO QD 3.500 . 3.500 3.555 3.536 3.637 0.137 1 0 "[ . 1 . 2 ]" 1 1340 1 37 PRO QB 1 37 PRO QD 3.500 . 3.500 2.881 2.686 2.906 . 0 0 "[ . 1 . 2 ]" 1 1341 1 92 PRO QD 1 94 GLU QB 5.500 . 5.500 5.293 5.207 5.488 . 0 0 "[ . 1 . 2 ]" 1 1342 1 92 PRO QD 1 93 LYS QB 5.500 . 5.500 4.847 4.609 5.123 . 0 0 "[ . 1 . 2 ]" 1 1343 1 91 LYS QB 1 92 PRO QD 3.500 . 3.500 2.990 2.184 3.244 . 0 0 "[ . 1 . 2 ]" 1 1344 1 92 PRO QD 1 95 ALA MB 3.500 . 3.500 2.127 2.066 2.201 . 0 0 "[ . 1 . 2 ]" 1 1345 1 91 LYS QG 1 92 PRO QD . . 4.500 2.692 2.164 3.614 . 0 0 "[ . 1 . 2 ]" 1 1346 1 36 ALA MB 1 37 PRO QD 2.800 . 2.800 1.990 1.962 2.064 . 0 0 "[ . 1 . 2 ]" 1 1347 1 33 LYS HA 1 34 MET H 5.500 . 5.500 3.200 3.033 3.267 . 0 0 "[ . 1 . 2 ]" 1 1348 1 33 LYS HA 1 36 ALA H 5.500 . 5.500 3.665 3.535 3.804 . 0 0 "[ . 1 . 2 ]" 1 1349 1 25 TRP HE3 1 33 LYS HA 5.500 . 5.500 4.467 4.154 4.880 . 0 0 "[ . 1 . 2 ]" 1 1350 1 33 LYS HA 1 33 LYS QG 3.500 . 3.500 2.595 2.516 3.590 0.090 18 0 "[ . 1 . 2 ]" 1 1351 1 33 LYS HA 1 33 LYS QB 2.800 . 2.800 2.250 2.098 2.320 . 0 0 "[ . 1 . 2 ]" 1 1352 1 33 LYS HA 1 36 ALA MB 5.500 . 5.500 2.437 2.388 2.588 . 0 0 "[ . 1 . 2 ]" 1 1353 1 33 LYS QB 1 34 MET H 5.500 . 5.500 3.706 3.610 4.076 . 0 0 "[ . 1 . 2 ]" 1 1354 1 30 GLY QA 1 33 LYS QB 4.500 . 4.500 3.628 3.286 4.139 . 0 0 "[ . 1 . 2 ]" 1 1355 1 33 LYS QB 1 34 MET QG 4.500 . 4.500 3.365 2.932 4.084 . 0 0 "[ . 1 . 2 ]" 1 1356 1 33 LYS QG 1 34 MET H 5.500 . 5.500 4.783 4.178 5.001 . 0 0 "[ . 1 . 2 ]" 1 1357 1 27 PRO HA 1 33 LYS QG 5.500 . 5.500 4.087 2.609 4.337 . 0 0 "[ . 1 . 2 ]" 1 1358 1 33 LYS QE 1 33 LYS QG . . 3.500 2.229 2.134 2.408 . 0 0 "[ . 1 . 2 ]" 1 1359 1 30 GLY QA 1 33 LYS QD 3.500 . 3.500 2.615 2.427 2.918 . 0 0 "[ . 1 . 2 ]" 1 1360 1 30 GLY QA 1 33 LYS QD 5.500 . 5.500 2.624 2.433 2.938 . 0 0 "[ . 1 . 2 ]" 1 1361 1 62 GLU HA 1 62 GLU QB 2.800 . 2.800 2.478 2.399 2.507 . 0 0 "[ . 1 . 2 ]" 1 1362 1 33 LYS HA 1 33 LYS QD 3.500 . 3.500 3.591 3.283 3.745 0.245 1 0 "[ . 1 . 2 ]" 1 1363 1 7 THR HA 1 33 LYS QD 4.500 . 4.500 4.502 4.295 4.748 0.248 1 0 "[ . 1 . 2 ]" 1 1364 1 25 TRP HZ3 1 33 LYS QD 5.500 . 5.500 4.806 3.799 5.282 . 0 0 "[ . 1 . 2 ]" 1 1365 1 10 SER H 1 33 LYS QD 5.500 . 5.500 2.202 1.972 2.435 . 0 0 "[ . 1 . 2 ]" 1 1366 1 9 GLN QG 1 62 GLU QB 5.500 . 5.500 5.547 5.336 6.014 0.514 1 1 "[+ . 1 . 2 ]" 1 1367 1 33 LYS QD 1 34 MET QG 5.500 . 5.500 4.420 4.078 4.868 . 0 0 "[ . 1 . 2 ]" 1 1368 1 33 LYS HA 1 33 LYS QE 5.500 . 5.500 4.721 4.629 5.438 . 0 0 "[ . 1 . 2 ]" 1 1369 1 27 PRO HA 1 33 LYS QE 5.500 . 5.500 2.479 2.063 2.834 . 0 0 "[ . 1 . 2 ]" 1 1370 1 63 THR HA 1 66 LYS QE 4.500 . 4.500 2.687 2.209 3.541 . 0 0 "[ . 1 . 2 ]" 1 1371 1 27 PRO QB 1 33 LYS QE 4.500 . 4.500 3.904 3.574 4.458 . 0 0 "[ . 1 . 2 ]" 1 1372 1 33 LYS H 1 34 MET HA 5.500 . 5.500 4.932 4.833 5.119 . 0 0 "[ . 1 . 2 ]" 1 1373 1 34 MET HA 1 36 ALA H 5.500 . 5.500 4.177 4.096 4.249 . 0 0 "[ . 1 . 2 ]" 1 1374 1 34 MET HA 1 34 MET QG 2.800 . 2.800 2.390 2.294 2.484 . 0 0 "[ . 1 . 2 ]" 1 1375 1 34 MET HA 1 37 PRO QG 2.800 . 2.800 2.269 2.184 2.523 . 0 0 "[ . 1 . 2 ]" 1 1376 1 34 MET HA 1 34 MET QB 2.800 . 2.800 2.339 2.327 2.408 . 0 0 "[ . 1 . 2 ]" 1 1377 1 34 MET HA 1 34 MET ME 5.500 . 5.500 4.546 3.925 4.595 . 0 0 "[ . 1 . 2 ]" 1 1378 1 34 MET QB 1 37 PRO QG 5.500 . 5.500 3.918 3.825 4.059 . 0 0 "[ . 1 . 2 ]" 1 1379 1 34 MET QB 1 34 MET ME 2.800 . 2.800 2.240 2.206 2.364 . 0 0 "[ . 1 . 2 ]" 1 1380 1 34 MET QB 1 38 VAL QG 4.500 . 4.500 3.736 3.626 3.927 . 0 0 "[ . 1 . 2 ]" 1 1381 1 31 PRO HA 1 34 MET QG 4.500 . 4.500 3.035 2.803 3.809 . 0 0 "[ . 1 . 2 ]" 1 1382 1 46 MET ME 1 48 ASP H 5.500 . 5.500 5.564 5.390 6.106 0.606 1 1 "[+ . 1 . 2 ]" 1 1383 1 46 MET H 1 46 MET ME . . 4.500 4.585 4.503 4.840 0.340 1 0 "[ . 1 . 2 ]" 1 1384 1 46 MET ME 1 101 ASN H 4.500 . 4.500 3.638 3.492 3.873 . 0 0 "[ . 1 . 2 ]" 1 1385 1 46 MET ME 1 100 VAL H 5.500 . 5.500 4.930 4.783 4.993 . 0 0 "[ . 1 . 2 ]" 1 1386 1 46 MET ME 1 97 GLN QE 4.500 . 4.500 3.756 3.092 4.076 . 0 0 "[ . 1 . 2 ]" 1 1387 1 46 MET ME 1 101 ASN QD 5.500 . 5.500 5.313 5.120 5.502 0.002 20 0 "[ . 1 . 2 ]" 1 1388 1 46 MET HA 1 46 MET ME 4.500 . 4.500 4.217 3.046 4.484 . 0 0 "[ . 1 . 2 ]" 1 1389 1 46 MET ME 1 101 ASN HA . . 3.500 3.335 3.129 3.513 0.013 6 0 "[ . 1 . 2 ]" 1 1390 1 43 ASP HA 1 46 MET ME 5.500 . 5.500 4.963 4.806 5.317 . 0 0 "[ . 1 . 2 ]" 1 1391 1 46 MET ME 1 100 VAL HA 5.500 . 5.500 5.544 5.417 5.642 0.142 5 0 "[ . 1 . 2 ]" 1 1392 1 46 MET ME 1 97 GLN HA 3.500 . 3.500 3.595 3.511 3.644 0.144 1 0 "[ . 1 . 2 ]" 1 1393 1 46 MET ME 1 101 ASN QB 5.500 . 5.500 2.864 2.673 3.030 . 0 0 "[ . 1 . 2 ]" 1 1394 1 46 MET ME 1 46 MET QG 2.800 . 2.800 2.275 2.212 2.377 . 0 0 "[ . 1 . 2 ]" 1 1395 1 46 MET ME 1 97 GLN QG 4.500 . 4.500 4.380 4.058 4.517 0.017 13 0 "[ . 1 . 2 ]" 1 1396 1 21 LEU QB 1 46 MET ME 3.500 . 3.500 3.313 3.196 3.670 0.170 1 0 "[ . 1 . 2 ]" 1 1397 1 46 MET ME 1 49 LYS QD 2.800 . 2.800 2.810 2.611 3.111 0.311 1 0 "[ . 1 . 2 ]" 1 1398 1 46 MET ME 1 50 LEU QB 3.500 . 3.500 2.549 2.108 3.129 . 0 0 "[ . 1 . 2 ]" 1 1399 1 46 MET ME 1 104 LEU QD 2.800 . 2.800 2.052 1.891 2.802 0.002 11 0 "[ . 1 . 2 ]" 1 1400 1 42 LEU QD 1 46 MET ME 2.800 . 2.800 2.819 2.473 2.901 0.101 19 0 "[ . 1 . 2 ]" 1 1401 1 35 ILE HA 1 36 ALA HA 5.500 . 5.500 4.328 4.298 4.353 . 0 0 "[ . 1 . 2 ]" 1 1402 1 35 ILE HA 1 38 VAL HB . . 2.800 2.134 2.081 2.213 . 0 0 "[ . 1 . 2 ]" 1 1403 1 35 ILE HA 1 35 ILE MD 3.500 . 3.500 2.115 2.065 2.150 . 0 0 "[ . 1 . 2 ]" 1 1404 1 35 ILE HB 1 36 ALA H 5.500 . 5.500 3.735 3.701 3.886 . 0 0 "[ . 1 . 2 ]" 1 1405 1 35 ILE HB 1 39 LEU QD 5.500 . 5.500 4.197 4.022 4.329 . 0 0 "[ . 1 . 2 ]" 1 1406 1 35 ILE QG 1 36 ALA HA 5.500 . 5.500 2.639 2.273 2.908 . 0 0 "[ . 1 . 2 ]" 1 1407 1 35 ILE QG 1 36 ALA HA 4.500 . 4.500 4.469 4.306 4.599 0.099 15 0 "[ . 1 . 2 ]" 1 1408 1 35 ILE QG 1 42 LEU QD . . 2.800 2.328 2.088 2.487 . 0 0 "[ . 1 . 2 ]" 1 1409 1 35 ILE QG 1 39 LEU QD 3.500 . 3.500 2.329 2.131 2.479 . 0 0 "[ . 1 . 2 ]" 1 1410 1 35 ILE QG 1 75 LEU QD 2.800 . 2.800 2.849 2.782 2.891 0.091 8 0 "[ . 1 . 2 ]" 1 1411 1 24 PHE H 1 35 ILE MD 5.500 . 5.500 4.544 4.453 4.886 . 0 0 "[ . 1 . 2 ]" 1 1412 1 35 ILE MD 1 39 LEU H 5.500 . 5.500 5.265 4.870 5.376 . 0 0 "[ . 1 . 2 ]" 1 1413 1 35 ILE MD 1 36 ALA H 5.500 . 5.500 4.904 4.873 4.942 . 0 0 "[ . 1 . 2 ]" 1 1414 1 35 ILE H 1 35 ILE MD 5.500 . 5.500 3.572 3.458 3.816 . 0 0 "[ . 1 . 2 ]" 1 1415 1 35 ILE MD 1 38 VAL H 5.500 . 5.500 5.140 5.017 5.239 . 0 0 "[ . 1 . 2 ]" 1 1416 1 35 ILE HA 1 35 ILE MD 3.500 . 3.500 2.225 2.139 2.270 . 0 0 "[ . 1 . 2 ]" 1 1417 1 35 ILE MD 1 74 THR HB 5.500 . 5.500 5.140 4.823 5.303 . 0 0 "[ . 1 . 2 ]" 1 1418 1 35 ILE MD 1 90 PHE HA 2.800 . 2.800 2.198 2.088 2.584 . 0 0 "[ . 1 . 2 ]" 1 1419 1 35 ILE MD 1 92 PRO QD 5.500 . 5.500 5.054 4.954 5.178 . 0 0 "[ . 1 . 2 ]" 1 1420 1 35 ILE MD 1 90 PHE QB 5.500 . 5.500 3.330 2.392 3.855 . 0 0 "[ . 1 . 2 ]" 1 1421 1 35 ILE MD 1 38 VAL HB 5.500 . 5.500 3.518 3.266 3.654 . 0 0 "[ . 1 . 2 ]" 1 1422 1 34 MET QB 1 35 ILE MD 4.500 . 4.500 4.241 4.109 4.477 . 0 0 "[ . 1 . 2 ]" 1 1423 1 35 ILE HB 1 35 ILE MD 2.800 . 2.800 2.179 2.147 2.291 . 0 0 "[ . 1 . 2 ]" 1 1424 1 31 PRO QB 1 35 ILE MD 3.500 . 3.500 3.602 3.549 4.121 0.621 1 1 "[+ . 1 . 2 ]" 1 1425 1 35 ILE MD 1 38 VAL QG 2.800 . 2.800 2.726 2.304 2.815 0.015 8 0 "[ . 1 . 2 ]" 1 1426 1 35 ILE MD 1 91 LYS QB 5.500 . 5.500 3.094 2.623 4.201 . 0 0 "[ . 1 . 2 ]" 1 1427 1 35 ILE MD 1 75 LEU QD 3.500 . 3.500 3.108 2.336 3.293 . 0 0 "[ . 1 . 2 ]" 1 1428 1 35 ILE MD 1 96 LEU QD 2.800 . 2.800 2.214 2.112 2.603 . 0 0 "[ . 1 . 2 ]" 1 1429 1 33 LYS H 1 35 ILE MG 5.500 . 5.500 4.063 3.981 4.143 . 0 0 "[ . 1 . 2 ]" 1 1430 1 35 ILE MG 1 38 VAL H 5.500 . 5.500 5.068 5.004 5.170 . 0 0 "[ . 1 . 2 ]" 1 1431 1 35 ILE MG 1 91 LYS H 5.500 . 5.500 5.574 5.532 5.644 0.144 1 0 "[ . 1 . 2 ]" 1 1432 1 23 ASP HA 1 35 ILE MG 5.500 . 5.500 4.912 4.800 5.156 . 0 0 "[ . 1 . 2 ]" 1 1433 1 25 TRP HA 1 35 ILE MG 4.500 . 4.500 4.002 3.796 4.213 . 0 0 "[ . 1 . 2 ]" 1 1434 1 31 PRO HA 1 35 ILE MG 3.500 . 3.500 3.178 3.162 3.200 . 0 0 "[ . 1 . 2 ]" 1 1435 1 35 ILE MG 1 37 PRO QD 5.500 . 5.500 4.245 4.189 4.326 . 0 0 "[ . 1 . 2 ]" 1 1436 1 35 ILE MG 1 36 ALA HA 3.500 . 3.500 3.155 3.032 3.258 . 0 0 "[ . 1 . 2 ]" 1 1437 1 25 TRP QB 1 35 ILE MG 5.500 . 5.500 2.975 2.791 3.155 . 0 0 "[ . 1 . 2 ]" 1 1438 1 23 ASP QB 1 35 ILE MG 5.500 . 5.500 3.988 3.827 4.231 . 0 0 "[ . 1 . 2 ]" 1 1439 1 31 PRO QB 1 35 ILE MG 2.800 . 2.800 2.123 2.109 2.141 . 0 0 "[ . 1 . 2 ]" 1 1440 1 35 ILE MG 1 36 ALA MB 3.500 . 3.500 3.151 3.092 3.255 . 0 0 "[ . 1 . 2 ]" 1 1441 1 35 ILE MG 1 39 LEU QD 2.800 . 2.800 2.703 2.323 3.065 0.265 12 0 "[ . 1 . 2 ]" 1 1442 1 36 ALA HA 1 40 GLU H 4.500 . 4.500 3.468 3.442 3.488 . 0 0 "[ . 1 . 2 ]" 1 1443 1 36 ALA HA 1 38 VAL H 5.500 . 5.500 4.293 4.205 4.325 . 0 0 "[ . 1 . 2 ]" 1 1444 1 35 ILE HA 1 36 ALA HA 5.500 . 5.500 4.167 4.138 4.186 . 0 0 "[ . 1 . 2 ]" 1 1445 1 36 ALA HA 1 54 LYS QE 4.500 . 4.500 3.318 2.825 4.216 . 0 0 "[ . 1 . 2 ]" 1 1446 1 36 ALA HA 1 39 LEU QB 2.800 . 2.800 2.365 2.319 2.428 . 0 0 "[ . 1 . 2 ]" 1 1447 1 39 LEU HA 1 42 LEU QB 2.800 . 2.800 2.302 2.124 2.739 . 0 0 "[ . 1 . 2 ]" 1 1448 1 35 ILE MG 1 36 ALA HA 2.800 . 2.800 2.860 2.840 2.938 0.138 1 0 "[ . 1 . 2 ]" 1 1449 1 39 LEU HA 1 39 LEU QD . . 3.500 2.114 1.978 2.211 . 0 0 "[ . 1 . 2 ]" 1 1450 1 35 ILE MG 1 36 ALA MB 3.500 . 3.500 3.240 3.166 3.370 . 0 0 "[ . 1 . 2 ]" 1 1451 1 36 ALA MB 1 54 LYS QD 4.500 . 4.500 3.826 3.558 4.311 . 0 0 "[ . 1 . 2 ]" 1 1452 1 33 LYS QG 1 36 ALA MB 5.500 . 5.500 4.203 4.073 5.370 . 0 0 "[ . 1 . 2 ]" 1 1453 1 33 LYS QB 1 36 ALA MB 3.500 . 3.500 4.007 3.890 4.153 0.653 1 13 "[+ * ** *1*-*** * *2*]" 1 1454 1 36 ALA MB 1 37 PRO QG 3.500 . 3.500 3.538 3.503 3.578 0.078 1 0 "[ . 1 . 2 ]" 1 1455 1 36 ALA MB 1 54 LYS QE 3.500 . 3.500 3.114 2.720 3.516 0.016 18 0 "[ . 1 . 2 ]" 1 1456 1 36 ALA MB 1 37 PRO QB 4.500 . 4.500 3.808 3.738 3.858 . 0 0 "[ . 1 . 2 ]" 1 1457 1 34 MET HA 1 36 ALA MB 5.500 . 5.500 4.515 4.440 4.596 . 0 0 "[ . 1 . 2 ]" 1 1458 1 35 ILE HA 1 36 ALA MB 4.500 . 4.500 3.877 3.856 3.897 . 0 0 "[ . 1 . 2 ]" 1 1459 1 36 ALA MB 1 38 VAL H 5.500 . 5.500 4.487 4.462 4.520 . 0 0 "[ . 1 . 2 ]" 1 1460 1 35 ILE H 1 36 ALA MB 5.500 . 5.500 4.295 4.205 4.373 . 0 0 "[ . 1 . 2 ]" 1 1461 1 36 ALA MB 1 40 GLU H 5.500 . 5.500 4.943 4.817 5.037 . 0 0 "[ . 1 . 2 ]" 1 1462 1 33 LYS H 1 36 ALA MB 5.500 . 5.500 4.063 3.986 4.143 . 0 0 "[ . 1 . 2 ]" 1 1463 1 37 PRO HA 1 39 LEU H 5.500 . 5.500 4.303 4.201 4.418 . 0 0 "[ . 1 . 2 ]" 1 1464 1 37 PRO HA 1 38 VAL H 5.500 . 5.500 3.613 3.598 3.626 . 0 0 "[ . 1 . 2 ]" 1 1465 1 36 ALA HA 1 37 PRO HA 4.500 . 4.500 4.502 4.410 4.518 0.018 17 0 "[ . 1 . 2 ]" 1 1466 1 37 PRO HA 1 40 GLU QB 2.800 . 2.800 2.793 2.502 2.834 0.034 12 0 "[ . 1 . 2 ]" 1 1467 1 37 PRO HA 1 39 LEU QB 5.500 . 5.500 5.012 4.792 5.213 . 0 0 "[ . 1 . 2 ]" 1 1468 1 37 PRO QB 1 40 GLU H 5.500 . 5.500 4.830 4.745 4.898 . 0 0 "[ . 1 . 2 ]" 1 1469 1 37 PRO QB 1 38 VAL H 4.500 . 4.500 3.029 2.970 3.317 . 0 0 "[ . 1 . 2 ]" 1 1470 1 36 ALA HA 1 37 PRO QB 5.500 . 5.500 3.876 3.815 4.101 . 0 0 "[ . 1 . 2 ]" 1 1471 1 37 PRO QB 1 38 VAL QG 3.500 . 3.500 3.572 3.537 3.916 0.416 1 0 "[ . 1 . 2 ]" 1 1472 1 94 GLU QB 1 95 ALA MB 4.500 . 4.500 3.784 3.706 3.856 . 0 0 "[ . 1 . 2 ]" 1 1473 1 33 LYS HA 1 37 PRO QG 4.500 . 4.500 4.470 4.312 4.681 0.181 1 0 "[ . 1 . 2 ]" 1 1474 1 94 GLU HA 1 94 GLU QB 2.800 . 2.800 2.399 2.341 2.448 . 0 0 "[ . 1 . 2 ]" 1 1475 1 35 ILE HA 1 37 PRO QG 3.500 . 3.500 3.424 3.414 3.443 . 0 0 "[ . 1 . 2 ]" 1 1476 1 94 GLU QB 1 98 GLU H 4.500 . 4.500 4.582 4.534 4.801 0.301 1 0 "[ . 1 . 2 ]" 1 1477 1 94 GLU QB 1 97 GLN H 5.500 . 5.500 4.925 4.845 5.014 . 0 0 "[ . 1 . 2 ]" 1 1478 1 33 LYS H 1 37 PRO QD 5.500 . 5.500 4.146 4.095 4.199 . 0 0 "[ . 1 . 2 ]" 1 1479 1 35 ILE MG 1 37 PRO QD 4.500 . 4.500 3.785 3.744 3.828 . 0 0 "[ . 1 . 2 ]" 1 1480 1 38 VAL HA 1 38 VAL QG 2.800 . 2.800 2.123 2.107 2.135 . 0 0 "[ . 1 . 2 ]" 1 1481 1 38 VAL HA 1 38 VAL QG 2.800 . 2.800 2.057 1.941 2.132 . 0 0 "[ . 1 . 2 ]" 1 1482 1 38 VAL HA 1 96 LEU QB 5.500 . 5.500 5.545 5.367 5.937 0.437 1 0 "[ . 1 . 2 ]" 1 1483 1 38 VAL HA 1 41 GLU QB 3.500 . 3.500 2.442 2.324 2.630 . 0 0 "[ . 1 . 2 ]" 1 1484 1 38 VAL HA 1 41 GLU QG . . 4.500 3.531 3.137 3.842 . 0 0 "[ . 1 . 2 ]" 1 1485 1 37 PRO QD 1 38 VAL HA 5.500 . 5.500 5.525 5.469 5.540 0.040 11 0 "[ . 1 . 2 ]" 1 1486 1 35 ILE HA 1 38 VAL HA 5.500 . 5.500 4.854 4.763 4.956 . 0 0 "[ . 1 . 2 ]" 1 1487 1 38 VAL HA 1 39 LEU H 5.500 . 5.500 3.593 3.572 3.611 . 0 0 "[ . 1 . 2 ]" 1 1488 1 38 VAL HA 1 42 LEU H 5.500 . 5.500 4.265 3.900 4.450 . 0 0 "[ . 1 . 2 ]" 1 1489 1 38 VAL HB 1 39 LEU QD 4.500 . 4.500 4.186 3.480 4.548 0.048 16 0 "[ . 1 . 2 ]" 1 1490 1 35 ILE QG 1 38 VAL HB 5.500 . 5.500 3.650 3.553 3.895 . 0 0 "[ . 1 . 2 ]" 1 1491 1 37 PRO QD 1 38 VAL HB 5.500 . 5.500 4.441 4.324 4.517 . 0 0 "[ . 1 . 2 ]" 1 1492 1 38 VAL QG 1 39 LEU QD 3.500 . 3.500 2.034 1.809 2.380 . 0 0 "[ . 1 . 2 ]" 1 1493 1 35 ILE QG 1 38 VAL QG . . 2.800 2.830 2.810 3.083 0.283 1 0 "[ . 1 . 2 ]" 1 1494 1 35 ILE QG 1 38 VAL QG 3.500 . 3.500 2.692 2.459 2.874 . 0 0 "[ . 1 . 2 ]" 1 1495 1 38 VAL QG 1 93 LYS QB . . 2.800 2.465 2.181 2.718 . 0 0 "[ . 1 . 2 ]" 1 1496 1 38 VAL QG 1 93 LYS HA . . 3.500 2.025 1.957 2.119 . 0 0 "[ . 1 . 2 ]" 1 1497 1 38 VAL HA 1 38 VAL QG 2.800 . 2.800 2.099 2.083 2.115 . 0 0 "[ . 1 . 2 ]" 1 1498 1 37 PRO QD 1 38 VAL QG 5.500 . 5.500 3.955 3.898 4.015 . 0 0 "[ . 1 . 2 ]" 1 1499 1 7 THR MG 1 10 SER QB 2.800 . 2.800 2.123 1.983 2.448 . 0 0 "[ . 1 . 2 ]" 1 1500 1 35 ILE H 1 38 VAL QG 5.500 . 5.500 4.489 4.410 4.583 . 0 0 "[ . 1 . 2 ]" 1 1501 1 38 VAL QG 1 41 GLU H 5.500 . 5.500 4.450 4.365 4.535 . 0 0 "[ . 1 . 2 ]" 1 1502 1 7 THR MG 1 10 SER H 3.500 . 3.500 2.486 2.153 2.964 . 0 0 "[ . 1 . 2 ]" 1 1503 1 35 ILE HB 1 38 VAL QG 4.500 . 4.500 3.255 3.185 3.348 . 0 0 "[ . 1 . 2 ]" 1 1504 1 38 VAL QG 1 94 GLU H 5.500 . 5.500 4.531 4.438 4.630 . 0 0 "[ . 1 . 2 ]" 1 1505 1 38 VAL QG 1 39 LEU H 5.500 . 5.500 3.004 2.818 3.153 . 0 0 "[ . 1 . 2 ]" 1 1506 1 38 VAL QG 1 92 PRO HA . . 2.800 2.750 2.526 2.828 0.028 20 0 "[ . 1 . 2 ]" 1 1507 1 38 VAL QG 1 41 GLU QB 3.500 . 3.500 3.258 3.195 3.361 . 0 0 "[ . 1 . 2 ]" 1 1508 1 39 LEU QB 1 39 LEU QD . . 2.800 1.991 1.946 2.104 . 0 0 "[ . 1 . 2 ]" 1 1509 1 38 VAL QG 1 39 LEU QB 3.500 . 3.500 3.711 3.240 3.886 0.386 16 0 "[ . 1 . 2 ]" 1 1510 1 39 LEU QB 1 52 ILE MD 3.500 . 3.500 2.180 1.986 2.575 . 0 0 "[ . 1 . 2 ]" 1 1511 1 39 LEU QD 1 53 VAL H 5.500 . 5.500 4.267 3.703 4.756 . 0 0 "[ . 1 . 2 ]" 1 1512 1 23 ASP HA 1 39 LEU QD 5.500 . 5.500 3.513 3.376 3.755 . 0 0 "[ . 1 . 2 ]" 1 1513 1 3 ILE HA 1 39 LEU QD 5.500 . 5.500 4.863 4.334 5.222 . 0 0 "[ . 1 . 2 ]" 1 1514 1 39 LEU QD 1 42 LEU QB 2.800 . 2.800 2.693 2.133 2.902 0.102 8 0 "[ . 1 . 2 ]" 1 1515 1 35 ILE QG 1 39 LEU QD 4.500 . 4.500 2.728 2.279 3.006 . 0 0 "[ . 1 . 2 ]" 1 1516 1 21 LEU QB 1 39 LEU QD 5.500 . 5.500 3.690 3.372 4.013 . 0 0 "[ . 1 . 2 ]" 1 1517 1 35 ILE MD 1 39 LEU QD 2.800 . 2.800 2.384 2.102 2.640 . 0 0 "[ . 1 . 2 ]" 1 1518 1 39 LEU QD 1 40 GLU H 5.500 . 5.500 4.029 3.913 4.113 . 0 0 "[ . 1 . 2 ]" 1 1519 1 3 ILE QG 1 39 LEU QD 3.500 . 3.500 2.762 2.601 2.947 . 0 0 "[ . 1 . 2 ]" 1 1520 1 40 GLU HA 1 43 ASP H 5.500 . 5.500 3.306 3.213 3.415 . 0 0 "[ . 1 . 2 ]" 1 1521 1 40 GLU HA 1 42 LEU H 5.500 . 5.500 4.026 3.865 4.420 . 0 0 "[ . 1 . 2 ]" 1 1522 1 37 PRO HA 1 40 GLU HA 5.500 . 5.500 5.434 5.241 5.515 0.015 5 0 "[ . 1 . 2 ]" 1 1523 1 40 GLU HA 1 43 ASP HA 5.500 . 5.500 5.503 5.386 5.553 0.053 9 0 "[ . 1 . 2 ]" 1 1524 1 40 GLU HA 1 43 ASP QB 2.800 . 2.800 2.765 2.623 2.830 0.030 15 0 "[ . 1 . 2 ]" 1 1525 1 40 GLU HA 1 40 GLU QG 2.800 . 2.800 2.395 2.320 2.415 . 0 0 "[ . 1 . 2 ]" 1 1526 1 40 GLU HA 1 40 GLU QB 2.800 . 2.800 2.336 2.327 2.402 . 0 0 "[ . 1 . 2 ]" 1 1527 1 3 ILE HB 1 40 GLU HA 4.500 . 4.500 4.633 4.566 5.011 0.511 1 1 "[+ . 1 . 2 ]" 1 1528 1 3 ILE MD 1 40 GLU QB 2.800 . 2.800 3.240 3.211 3.504 0.704 1 1 "[+ . 1 . 2 ]" 1 1529 1 7 THR MG 1 9 GLN QB 5.500 . 5.500 4.435 3.913 5.261 . 0 0 "[ . 1 . 2 ]" 1 1530 1 37 PRO QD 1 40 GLU QB 5.500 . 5.500 5.377 5.204 5.446 . 0 0 "[ . 1 . 2 ]" 1 1531 1 9 GLN QB 1 12 SER QB 4.500 . 4.500 4.411 4.081 4.572 0.072 13 0 "[ . 1 . 2 ]" 1 1532 1 9 GLN QB 1 9 GLN QE 2.800 . 2.800 2.392 2.322 2.431 . 0 0 "[ . 1 . 2 ]" 1 1533 1 59 GLU QG 1 60 ASN H . . 2.800 2.400 1.981 2.935 0.135 1 0 "[ . 1 . 2 ]" 1 1534 1 37 PRO HA 1 40 GLU QG 2.800 . 2.800 2.642 2.375 2.752 . 0 0 "[ . 1 . 2 ]" 1 1535 1 58 ASP QB 1 59 GLU QG 3.500 . 3.500 2.683 2.454 3.879 0.379 1 0 "[ . 1 . 2 ]" 1 1536 1 59 GLU QG 1 60 ASN QB 2.800 . 2.800 2.691 2.457 3.954 1.154 1 1 "[+ . 1 . 2 ]" 1 1537 1 3 ILE HB 1 40 GLU QG 5.500 . 5.500 3.192 3.060 3.525 . 0 0 "[ . 1 . 2 ]" 1 1538 1 39 LEU QB 1 40 GLU QG . . 4.500 3.305 2.952 3.501 . 0 0 "[ . 1 . 2 ]" 1 1539 1 41 GLU HA 1 43 ASP H 5.500 . 5.500 4.226 4.166 4.381 . 0 0 "[ . 1 . 2 ]" 1 1540 1 41 GLU H 1 41 GLU HA 2.800 . 2.800 2.833 2.823 2.853 0.053 1 0 "[ . 1 . 2 ]" 1 1541 1 40 GLU HA 1 41 GLU HA 4.500 . 4.500 3.727 3.613 3.926 . 0 0 "[ . 1 . 2 ]" 1 1542 1 8 ASP QB 1 62 GLU HA 5.500 . 5.500 4.940 4.573 5.356 . 0 0 "[ . 1 . 2 ]" 1 1543 1 41 GLU HA 1 41 GLU QG 2.800 . 2.800 2.635 2.293 2.826 0.026 11 0 "[ . 1 . 2 ]" 1 1544 1 41 GLU HA 1 41 GLU QG 2.800 . 2.800 2.526 2.128 2.761 . 0 0 "[ . 1 . 2 ]" 1 1545 1 41 GLU HA 1 93 LYS QD 4.500 . 4.500 4.505 4.332 4.643 0.143 1 0 "[ . 1 . 2 ]" 1 1546 1 3 ILE MD 1 41 GLU HA 5.500 . 5.500 4.965 4.861 5.059 . 0 0 "[ . 1 . 2 ]" 1 1547 1 41 GLU HA 1 41 GLU QB 2.800 . 2.800 2.429 2.411 2.445 . 0 0 "[ . 1 . 2 ]" 1 1548 1 39 LEU HA 1 41 GLU QB 5.500 . 5.500 4.991 4.834 5.241 . 0 0 "[ . 1 . 2 ]" 1 1549 1 41 GLU QB 1 93 LYS QD . . 2.800 2.625 2.388 2.823 0.023 11 0 "[ . 1 . 2 ]" 1 1550 1 41 GLU QB 1 93 LYS QG . . 3.500 2.831 2.211 3.495 . 0 0 "[ . 1 . 2 ]" 1 1551 1 41 GLU QB 1 42 LEU QD 5.500 . 5.500 4.779 4.567 4.929 . 0 0 "[ . 1 . 2 ]" 1 1552 1 38 VAL QG 1 41 GLU QG . . 4.500 4.203 3.859 4.521 0.021 21 0 "[ . 1 . 2 ]" 1 1553 1 41 GLU QG 1 93 LYS QG 5.500 . 5.500 4.308 3.404 5.001 . 0 0 "[ . 1 . 2 ]" 1 1554 1 41 GLU QG 1 93 LYS QD 5.500 . 5.500 4.500 4.121 4.808 . 0 0 "[ . 1 . 2 ]" 1 1555 1 37 PRO QB 1 41 GLU QG 3.500 . 3.500 3.390 3.193 3.525 0.025 16 0 "[ . 1 . 2 ]" 1 1556 1 5 LYS QG 1 41 GLU QG 5.500 . 5.500 4.325 3.934 4.733 . 0 0 "[ . 1 . 2 ]" 1 1557 1 39 LEU HA 1 41 GLU QG 5.500 . 5.500 5.442 5.389 5.500 . 0 0 "[ . 1 . 2 ]" 1 1558 1 41 GLU QG 1 42 LEU H 5.500 . 5.500 4.395 4.222 4.484 . 0 0 "[ . 1 . 2 ]" 1 1559 1 42 LEU HA 1 43 ASP HA 5.500 . 5.500 4.463 4.424 4.594 . 0 0 "[ . 1 . 2 ]" 1 1560 1 42 LEU HA 1 46 MET QG 5.500 . 5.500 3.380 3.206 3.662 . 0 0 "[ . 1 . 2 ]" 1 1561 1 41 GLU QB 1 42 LEU HA 3.500 . 3.500 3.383 2.982 3.887 0.387 1 0 "[ . 1 . 2 ]" 1 1562 1 42 LEU HA 1 45 GLU QB 2.800 . 2.800 2.679 2.439 2.922 0.122 1 0 "[ . 1 . 2 ]" 1 1563 1 42 LEU HA 1 42 LEU QB 2.800 . 2.800 2.404 2.266 2.448 . 0 0 "[ . 1 . 2 ]" 1 1564 1 42 LEU HA 1 42 LEU QD 2.800 . 2.800 2.184 1.972 2.498 . 0 0 "[ . 1 . 2 ]" 1 1565 1 42 LEU QB 1 43 ASP H 5.500 . 5.500 2.549 2.474 2.821 . 0 0 "[ . 1 . 2 ]" 1 1566 1 42 LEU QB 1 42 LEU QD 2.800 . 2.800 1.947 1.915 2.083 . 0 0 "[ . 1 . 2 ]" 1 1567 1 42 LEU H 1 42 LEU HG 5.500 . 5.500 4.395 3.962 4.493 . 0 0 "[ . 1 . 2 ]" 1 1568 1 42 LEU HA 1 42 LEU HG 4.500 . 4.500 3.229 3.072 3.833 . 0 0 "[ . 1 . 2 ]" 1 1569 1 39 LEU QB 1 42 LEU HG 5.500 . 5.500 3.447 3.194 3.681 . 0 0 "[ . 1 . 2 ]" 1 1570 1 42 LEU QD 1 43 ASP H 5.500 . 5.500 3.372 2.900 3.495 . 0 0 "[ . 1 . 2 ]" 1 1571 1 41 GLU H 1 42 LEU QD 5.500 . 5.500 4.237 3.899 4.337 . 0 0 "[ . 1 . 2 ]" 1 1572 1 42 LEU QD 1 97 GLN HA . . 2.800 2.164 2.058 2.270 . 0 0 "[ . 1 . 2 ]" 1 1573 1 42 LEU QD 1 46 MET QG . . 4.500 2.163 1.879 2.314 . 0 0 "[ . 1 . 2 ]" 1 1574 1 42 LEU QD 1 97 GLN QG . . 3.500 3.527 3.277 3.670 0.170 1 0 "[ . 1 . 2 ]" 1 1575 1 42 LEU QD 1 45 GLU QB . . 2.800 1.819 1.745 1.913 0.055 17 0 "[ . 1 . 2 ]" 1 1576 1 42 LEU QD 1 96 LEU QB 4.500 . 4.500 2.602 2.346 3.163 . 0 0 "[ . 1 . 2 ]" 1 1577 1 21 LEU QB 1 42 LEU QD 4.500 . 4.500 3.630 3.366 4.343 . 0 0 "[ . 1 . 2 ]" 1 1578 1 42 LEU QD 1 43 ASP H 5.500 . 5.500 3.851 3.289 4.050 . 0 0 "[ . 1 . 2 ]" 1 1579 1 42 LEU QD 1 43 ASP HA 5.500 . 5.500 4.085 2.991 4.323 . 0 0 "[ . 1 . 2 ]" 1 1580 1 42 LEU QD 1 93 LYS HA 5.500 . 5.500 4.047 3.862 4.239 . 0 0 "[ . 1 . 2 ]" 1 1581 1 42 LEU QD 1 45 GLU H 4.500 . 4.500 4.406 3.987 4.546 0.046 8 0 "[ . 1 . 2 ]" 1 1582 1 43 ASP H 1 43 ASP HA 2.800 . 2.800 2.699 2.629 2.730 . 0 0 "[ . 1 . 2 ]" 1 1583 1 43 ASP HA 1 45 GLU H 4.500 . 4.500 3.597 3.433 3.819 . 0 0 "[ . 1 . 2 ]" 1 1584 1 40 GLU HA 1 43 ASP HA 4.500 . 4.500 4.445 4.402 4.503 0.003 1 0 "[ . 1 . 2 ]" 1 1585 1 43 ASP HA 1 43 ASP QB 2.800 . 2.800 2.374 2.328 2.418 . 0 0 "[ . 1 . 2 ]" 1 1586 1 43 ASP HA 1 46 MET QG 3.500 . 3.500 3.681 3.535 4.194 0.694 1 1 "[+ . 1 . 2 ]" 1 1587 1 43 ASP HA 1 44 GLN QB 4.500 . 4.500 4.894 4.832 5.173 0.673 1 1 "[+ . 1 . 2 ]" 1 1588 1 42 LEU QB 1 43 ASP HA 4.500 . 4.500 3.786 3.538 4.279 . 0 0 "[ . 1 . 2 ]" 1 1589 1 3 ILE QG 1 43 ASP HA 4.500 . 4.500 3.389 3.273 4.049 . 0 0 "[ . 1 . 2 ]" 1 1590 1 43 ASP HA 1 50 LEU QD 2.800 . 2.800 2.826 2.372 3.059 0.259 11 0 "[ . 1 . 2 ]" 1 1591 1 43 ASP QB 1 44 GLN QB 4.500 . 4.500 4.101 3.867 4.511 0.011 16 0 "[ . 1 . 2 ]" 1 1592 1 40 GLU QB 1 43 ASP QB 5.500 . 5.500 4.210 4.098 4.286 . 0 0 "[ . 1 . 2 ]" 1 1593 1 42 LEU QB 1 43 ASP QB 5.500 . 5.500 3.645 3.452 3.868 . 0 0 "[ . 1 . 2 ]" 1 1594 1 3 ILE QG 1 43 ASP QB 3.500 . 3.500 3.589 3.509 3.841 0.341 1 0 "[ . 1 . 2 ]" 1 1595 1 43 ASP H 1 44 GLN HA 4.500 . 4.500 4.524 4.472 4.583 0.083 10 0 "[ . 1 . 2 ]" 1 1596 1 44 GLN HA 1 47 GLY H 5.500 . 5.500 4.240 4.143 4.457 . 0 0 "[ . 1 . 2 ]" 1 1597 1 44 GLN H 1 44 GLN HA 2.800 . 2.800 2.853 2.826 2.871 0.071 1 0 "[ . 1 . 2 ]" 1 1598 1 44 GLN HA 1 44 GLN QB 2.800 . 2.800 2.208 2.138 2.480 . 0 0 "[ . 1 . 2 ]" 1 1599 1 102 LYS HA 1 102 LYS QB 2.800 . 2.800 2.348 2.164 2.538 . 0 0 "[ . 1 . 2 ]" 1 1600 1 102 LYS HA 1 102 LYS QG 3.500 . 3.500 2.768 2.249 3.365 . 0 0 "[ . 1 . 2 ]" 1 1601 1 43 ASP H 1 44 GLN QB 5.500 . 5.500 4.719 4.382 5.067 . 0 0 "[ . 1 . 2 ]" 1 1602 1 43 ASP H 1 44 GLN QB 4.500 . 4.500 4.480 4.123 4.744 0.244 1 0 "[ . 1 . 2 ]" 1 1603 1 43 ASP HA 1 44 GLN QB 5.500 . 5.500 4.346 3.836 4.494 . 0 0 "[ . 1 . 2 ]" 1 1604 1 41 GLU HA 1 44 GLN QB 2.800 . 2.800 2.151 2.130 2.238 . 0 0 "[ . 1 . 2 ]" 1 1605 1 3 ILE MD 1 44 GLN QB 5.500 . 5.500 5.122 4.756 5.533 0.033 9 0 "[ . 1 . 2 ]" 1 1606 1 40 GLU QB 1 44 GLN QG 3.500 . 3.500 3.313 3.070 3.893 0.393 9 0 "[ . 1 . 2 ]" 1 1607 1 45 GLU HA 1 46 MET H 3.500 . 3.500 3.561 3.539 3.624 0.124 1 0 "[ . 1 . 2 ]" 1 1608 1 45 GLU HA 1 47 GLY H 4.500 . 4.500 4.648 4.533 4.843 0.343 1 0 "[ . 1 . 2 ]" 1 1609 1 42 LEU HA 1 45 GLU HA 5.500 . 5.500 5.588 5.410 5.771 0.271 1 0 "[ . 1 . 2 ]" 1 1610 1 45 GLU HA 1 45 GLU QG 3.500 . 3.500 2.926 2.442 3.358 . 0 0 "[ . 1 . 2 ]" 1 1611 1 44 GLN QB 1 45 GLU HA 3.500 . 3.500 2.883 2.434 3.294 . 0 0 "[ . 1 . 2 ]" 1 1612 1 45 GLU HA 1 45 GLU QB 2.800 . 2.800 2.210 2.162 2.295 . 0 0 "[ . 1 . 2 ]" 1 1613 1 45 GLU QB 1 47 GLY H 5.500 . 5.500 4.646 4.469 4.743 . 0 0 "[ . 1 . 2 ]" 1 1614 1 45 GLU QB 1 97 GLN QE 5.500 . 5.500 4.046 3.682 4.373 . 0 0 "[ . 1 . 2 ]" 1 1615 1 45 GLU QB 1 46 MET HA 5.500 . 5.500 4.892 4.631 5.015 . 0 0 "[ . 1 . 2 ]" 1 1616 1 41 GLU HA 1 45 GLU QB 5.500 . 5.500 4.264 4.105 4.434 . 0 0 "[ . 1 . 2 ]" 1 1617 1 45 GLU QB 1 46 MET QG 3.500 . 3.500 3.148 2.754 3.517 0.017 3 0 "[ . 1 . 2 ]" 1 1618 1 42 LEU QB 1 45 GLU QB 4.500 . 4.500 4.221 4.013 4.614 0.114 13 0 "[ . 1 . 2 ]" 1 1619 1 45 GLU QB 1 93 LYS QG 5.500 . 5.500 5.093 4.788 5.507 0.007 17 0 "[ . 1 . 2 ]" 1 1620 1 42 LEU QD 1 45 GLU QG . . 3.500 3.148 2.565 3.896 0.396 1 0 "[ . 1 . 2 ]" 1 1621 1 95 ALA MB 1 98 GLU QG 5.500 . 5.500 3.850 3.174 4.410 . 0 0 "[ . 1 . 2 ]" 1 1622 1 45 GLU QG 1 93 LYS QD 4.500 . 4.500 2.688 2.216 3.664 . 0 0 "[ . 1 . 2 ]" 1 1623 1 45 GLU QG 1 93 LYS QD 4.500 . 4.500 2.685 2.216 3.644 . 0 0 "[ . 1 . 2 ]" 1 1624 1 98 GLU QG 1 101 ASN QB 5.500 . 5.500 3.922 3.615 5.045 . 0 0 "[ . 1 . 2 ]" 1 1625 1 98 GLU QG 1 101 ASN QB 5.500 . 5.500 3.347 1.901 3.893 . 0 0 "[ . 1 . 2 ]" 1 1626 1 98 GLU HA 1 98 GLU QG 2.800 . 2.800 2.443 2.403 2.478 . 0 0 "[ . 1 . 2 ]" 1 1627 1 45 GLU QG 1 46 MET HA 5.500 . 5.500 3.727 3.431 3.925 . 0 0 "[ . 1 . 2 ]" 1 1628 1 45 GLU QG 1 97 GLN QE 3.500 . 3.500 2.597 2.236 2.998 . 0 0 "[ . 1 . 2 ]" 1 1629 1 45 GLU QG 1 46 MET H 4.500 . 4.500 2.847 2.779 3.334 . 0 0 "[ . 1 . 2 ]" 1 1630 1 46 MET QB 1 47 GLY H 5.500 . 5.500 3.968 2.891 4.055 . 0 0 "[ . 1 . 2 ]" 1 1631 1 45 GLU H 1 46 MET QB 4.500 . 4.500 4.143 3.373 4.406 . 0 0 "[ . 1 . 2 ]" 1 1632 1 46 MET HA 1 46 MET QB 2.800 . 2.800 2.152 2.110 2.372 . 0 0 "[ . 1 . 2 ]" 1 1633 1 43 ASP HA 1 46 MET QB 4.500 . 4.500 4.431 2.956 4.540 0.040 8 0 "[ . 1 . 2 ]" 1 1634 1 46 MET QB 1 49 LYS QD 3.500 . 3.500 2.046 1.989 2.225 . 0 0 "[ . 1 . 2 ]" 1 1635 1 46 MET QB 1 50 LEU QD 4.500 . 4.500 3.267 2.426 3.574 . 0 0 "[ . 1 . 2 ]" 1 1636 1 46 MET QB 1 50 LEU QB 5.500 . 5.500 3.658 2.145 3.871 . 0 0 "[ . 1 . 2 ]" 1 1637 1 45 GLU H 1 46 MET QG 5.500 . 5.500 3.597 3.504 3.761 . 0 0 "[ . 1 . 2 ]" 1 1638 1 46 MET HA 1 46 MET QG 3.500 . 3.500 3.334 3.140 3.373 . 0 0 "[ . 1 . 2 ]" 1 1639 1 45 GLU QB 1 46 MET QG 3.500 . 3.500 2.222 2.173 2.342 . 0 0 "[ . 1 . 2 ]" 1 1640 1 46 MET QG 1 49 LYS QD 5.500 . 5.500 3.082 2.775 3.485 . 0 0 "[ . 1 . 2 ]" 1 1641 1 42 LEU QB 1 46 MET QG 4.500 . 4.500 2.735 2.141 3.812 . 0 0 "[ . 1 . 2 ]" 1 1642 1 46 MET QG 1 49 LYS QD 3.500 . 3.500 3.055 2.767 3.401 . 0 0 "[ . 1 . 2 ]" 1 1643 1 42 LEU QD 1 46 MET QG 3.500 . 3.500 2.098 1.856 2.245 . 0 0 "[ . 1 . 2 ]" 1 1644 1 46 MET QG 1 50 LEU QD 3.500 . 3.500 2.898 2.578 3.294 . 0 0 "[ . 1 . 2 ]" 1 1645 1 46 MET ME 1 50 LEU H 4.500 . 4.500 4.108 3.802 4.391 . 0 0 "[ . 1 . 2 ]" 1 1646 1 46 MET ME 1 50 LEU HG 4.500 . 4.500 4.184 2.197 4.788 0.288 1 0 "[ . 1 . 2 ]" 1 1647 1 46 MET HA 1 47 GLY QA 3.500 . 3.500 3.888 3.827 3.942 0.442 9 0 "[ . 1 . 2 ]" 1 1648 1 47 GLY QA 1 48 ASP HA 4.500 . 4.500 4.157 4.118 4.252 . 0 0 "[ . 1 . 2 ]" 1 1649 1 47 GLY QA 1 48 ASP QB . . 4.500 4.383 4.233 4.407 . 0 0 "[ . 1 . 2 ]" 1 1650 1 19 VAL HB 1 47 GLY QA 4.500 . 4.500 4.500 4.357 5.010 0.510 19 1 "[ . 1 . +2 ]" 1 1651 1 47 GLY QA 1 50 LEU QB 4.500 . 4.500 2.540 2.173 3.011 . 0 0 "[ . 1 . 2 ]" 1 1652 1 47 GLY QA 1 49 LYS QG 5.500 . 5.500 5.604 5.571 5.934 0.434 1 0 "[ . 1 . 2 ]" 1 1653 1 47 GLY QA 1 50 LEU QD 3.500 . 3.500 3.669 3.156 3.947 0.447 7 0 "[ . 1 . 2 ]" 1 1654 1 47 GLY QA 1 50 LEU QB 5.500 . 5.500 2.555 2.175 3.067 . 0 0 "[ . 1 . 2 ]" 1 1655 1 47 GLY H 1 48 ASP HA 5.500 . 5.500 5.268 5.205 5.433 . 0 0 "[ . 1 . 2 ]" 1 1656 1 48 ASP HA 1 50 LEU H 4.500 . 4.500 4.556 4.452 4.702 0.202 19 0 "[ . 1 . 2 ]" 1 1657 1 48 ASP HA 1 49 LYS HA 4.500 . 4.500 4.592 4.573 4.613 0.113 1 0 "[ . 1 . 2 ]" 1 1658 1 2 ALA HA 1 48 ASP HA 4.500 . 4.500 4.152 4.112 4.244 . 0 0 "[ . 1 . 2 ]" 1 1659 1 48 ASP HA 1 48 ASP QB 2.800 . 2.800 2.356 2.322 2.372 . 0 0 "[ . 1 . 2 ]" 1 1660 1 48 ASP HA 1 49 LYS QB 4.500 . 4.500 4.340 4.257 4.481 . 0 0 "[ . 1 . 2 ]" 1 1661 1 48 ASP HA 1 49 LYS QG 5.500 . 5.500 4.660 4.349 4.954 . 0 0 "[ . 1 . 2 ]" 1 1662 1 47 GLY H 1 48 ASP QB 5.500 . 5.500 4.427 4.270 4.503 . 0 0 "[ . 1 . 2 ]" 1 1663 1 48 ASP QB 1 50 LEU H 4.500 . 4.500 3.981 3.816 4.222 . 0 0 "[ . 1 . 2 ]" 1 1664 1 46 MET HA 1 48 ASP QB 3.500 . 3.500 3.472 3.142 3.607 0.107 19 0 "[ . 1 . 2 ]" 1 1665 1 48 ASP QB 1 49 LYS HA 4.500 . 4.500 4.505 4.445 4.639 0.139 1 0 "[ . 1 . 2 ]" 1 1666 1 80 ASP HA 1 80 ASP QB . . 2.800 2.378 2.374 2.385 . 0 0 "[ . 1 . 2 ]" 1 1667 1 48 ASP QB 1 49 LYS QB 5.500 . 5.500 2.364 2.156 2.564 . 0 0 "[ . 1 . 2 ]" 1 1668 1 48 ASP QB 1 49 LYS QG 5.500 . 5.500 2.976 2.781 3.411 . 0 0 "[ . 1 . 2 ]" 1 1669 1 79 LYS QG 1 80 ASP QB 5.500 . 5.500 3.422 2.659 4.802 . 0 0 "[ . 1 . 2 ]" 1 1670 1 49 LYS HA 1 49 LYS QE 5.500 . 5.500 5.326 5.168 5.408 . 0 0 "[ . 1 . 2 ]" 1 1671 1 19 VAL HB 1 49 LYS HA 5.500 . 5.500 5.529 5.371 5.594 0.094 1 0 "[ . 1 . 2 ]" 1 1672 1 49 LYS HA 1 49 LYS QB 2.800 . 2.800 2.249 2.220 2.277 . 0 0 "[ . 1 . 2 ]" 1 1673 1 49 LYS HA 1 49 LYS QG 2.800 . 2.800 2.725 2.607 2.823 0.023 1 0 "[ . 1 . 2 ]" 1 1674 1 49 LYS HA 1 104 LEU QD . . 4.500 3.605 3.429 3.729 . 0 0 "[ . 1 . 2 ]" 1 1675 1 46 MET HA 1 49 LYS QB 5.500 . 5.500 4.798 4.070 5.014 . 0 0 "[ . 1 . 2 ]" 1 1676 1 19 VAL HB 1 49 LYS QB 3.500 . 3.500 3.542 3.493 3.765 0.265 1 0 "[ . 1 . 2 ]" 1 1677 1 46 MET QB 1 49 LYS QB 3.500 . 3.500 3.602 3.548 3.870 0.370 1 0 "[ . 1 . 2 ]" 1 1678 1 49 LYS QB 1 104 LEU QD 2.800 . 2.800 1.910 1.868 1.951 . 0 0 "[ . 1 . 2 ]" 1 1679 1 49 LYS QB 1 50 LEU HA 5.500 . 5.500 3.995 3.787 4.149 . 0 0 "[ . 1 . 2 ]" 1 1680 1 46 MET ME 1 49 LYS QG 5.500 . 5.500 4.469 4.397 4.686 . 0 0 "[ . 1 . 2 ]" 1 1681 1 49 LYS QG 1 104 LEU QD . . 3.500 3.220 2.789 3.437 . 0 0 "[ . 1 . 2 ]" 1 1682 1 49 LYS H 1 49 LYS QD 5.500 . 5.500 2.182 2.101 2.311 . 0 0 "[ . 1 . 2 ]" 1 1683 1 49 LYS QD 1 50 LEU H 5.500 . 5.500 3.631 3.272 3.911 . 0 0 "[ . 1 . 2 ]" 1 1684 1 49 LYS HA 1 49 LYS QD 4.500 . 4.500 3.847 3.794 3.972 . 0 0 "[ . 1 . 2 ]" 1 1685 1 19 VAL HB 1 49 LYS QD 2.800 . 2.800 2.808 2.610 3.108 0.308 1 0 "[ . 1 . 2 ]" 1 1686 1 49 LYS QD 1 104 LEU QD 2.800 . 2.800 2.844 2.584 3.065 0.265 17 0 "[ . 1 . 2 ]" 1 1687 1 19 VAL HB 1 50 LEU HA 4.500 . 4.500 3.914 3.661 4.148 . 0 0 "[ . 1 . 2 ]" 1 1688 1 19 VAL QG 1 50 LEU HA 2.800 . 2.800 2.226 2.148 2.355 . 0 0 "[ . 1 . 2 ]" 1 1689 1 20 VAL HA 1 50 LEU HA 5.500 . 5.500 4.445 4.063 4.697 . 0 0 "[ . 1 . 2 ]" 1 1690 1 19 VAL HB 1 50 LEU QB 5.500 . 5.500 4.820 4.340 5.508 0.008 17 0 "[ . 1 . 2 ]" 1 1691 1 19 VAL QG 1 50 LEU QB 2.800 . 2.800 1.969 1.943 2.066 . 0 0 "[ . 1 . 2 ]" 1 1692 1 50 LEU H 1 50 LEU HG 5.500 . 5.500 2.892 2.476 3.990 . 0 0 "[ . 1 . 2 ]" 1 1693 1 46 MET ME 1 50 LEU QD 4.500 . 4.500 2.232 2.022 3.304 . 0 0 "[ . 1 . 2 ]" 1 1694 1 21 LEU QB 1 50 LEU QD 2.800 . 2.800 2.114 2.019 2.262 . 0 0 "[ . 1 . 2 ]" 1 1695 1 50 LEU QD 1 52 ILE QG 2.800 . 2.800 2.407 1.915 2.803 0.003 13 0 "[ . 1 . 2 ]" 1 1696 1 21 LEU QB 1 50 LEU QD 2.800 . 2.800 1.811 1.766 1.900 0.034 8 0 "[ . 1 . 2 ]" 1 1697 1 50 LEU HA 1 50 LEU QD 3.500 . 3.500 2.234 2.154 2.366 . 0 0 "[ . 1 . 2 ]" 1 1698 1 46 MET HA 1 50 LEU QD 4.500 . 4.500 3.902 3.111 4.188 . 0 0 "[ . 1 . 2 ]" 1 1699 1 20 VAL HA 1 50 LEU QD 4.500 . 4.500 2.671 2.114 3.156 . 0 0 "[ . 1 . 2 ]" 1 1700 1 19 VAL H 1 50 LEU QD 5.500 . 5.500 4.413 3.991 5.008 . 0 0 "[ . 1 . 2 ]" 1 1701 1 21 LEU H 1 50 LEU QD 3.500 . 3.500 2.487 2.223 2.943 . 0 0 "[ . 1 . 2 ]" 1 1702 1 21 LEU HA 1 50 LEU QD 5.500 . 5.500 3.810 3.575 4.177 . 0 0 "[ . 1 . 2 ]" 1 1703 1 19 VAL HA 1 50 LEU QD 5.500 . 5.500 4.428 4.103 5.160 . 0 0 "[ . 1 . 2 ]" 1 1704 1 43 ASP HA 1 50 LEU QD 4.500 . 4.500 3.583 3.038 3.909 . 0 0 "[ . 1 . 2 ]" 1 1705 1 50 LEU QD 1 100 VAL HA 5.500 . 5.500 4.593 4.392 4.834 . 0 0 "[ . 1 . 2 ]" 1 1706 1 50 LEU QB 1 50 LEU QD 2.800 . 2.800 1.871 1.762 1.913 0.038 2 0 "[ . 1 . 2 ]" 1 1707 1 42 LEU QB 1 50 LEU QD 4.500 . 4.500 2.639 2.180 3.599 . 0 0 "[ . 1 . 2 ]" 1 1708 1 50 LEU QD 1 100 VAL QG 2.800 . 2.800 1.788 1.717 1.934 0.083 8 0 "[ . 1 . 2 ]" 1 1709 1 21 LEU H 1 51 LYS QB 4.500 . 4.500 3.368 3.300 3.416 . 0 0 "[ . 1 . 2 ]" 1 1710 1 20 VAL HA 1 51 LYS QB 5.500 . 5.500 2.715 2.516 2.986 . 0 0 "[ . 1 . 2 ]" 1 1711 1 50 LEU HA 1 51 LYS QB 5.500 . 5.500 4.096 3.973 4.184 . 0 0 "[ . 1 . 2 ]" 1 1712 1 51 LYS QB 1 51 LYS QD 2.800 . 2.800 2.254 2.079 2.398 . 0 0 "[ . 1 . 2 ]" 1 1713 1 50 LEU QD 1 51 LYS QB 3.500 . 3.500 3.698 3.366 3.851 0.351 13 0 "[ . 1 . 2 ]" 1 1714 1 20 VAL QG 1 51 LYS QB 4.500 . 4.500 2.061 1.912 2.634 . 0 0 "[ . 1 . 2 ]" 1 1715 1 50 LEU QD 1 51 LYS QG 5.500 . 5.500 4.301 4.004 4.470 . 0 0 "[ . 1 . 2 ]" 1 1716 1 4 VAL QG 1 51 LYS QG 4.500 . 4.500 2.486 2.262 2.693 . 0 0 "[ . 1 . 2 ]" 1 1717 1 21 LEU H 1 35 ILE QG 5.500 . 5.500 3.833 3.726 3.965 . 0 0 "[ . 1 . 2 ]" 1 1718 1 35 ILE QG 1 40 GLU H 5.500 . 5.500 4.322 4.132 4.462 . 0 0 "[ . 1 . 2 ]" 1 1719 1 99 LEU HA 1 102 LYS QD 3.500 . 3.500 2.426 2.072 2.831 . 0 0 "[ . 1 . 2 ]" 1 1720 1 35 ILE QG 1 36 ALA HA 5.500 . 5.500 3.459 3.316 3.709 . 0 0 "[ . 1 . 2 ]" 1 1721 1 41 GLU QB 1 93 LYS QD 3.500 . 3.500 2.330 2.107 2.590 . 0 0 "[ . 1 . 2 ]" 1 1722 1 35 ILE HB 1 35 ILE QG 2.800 . 2.800 2.259 2.169 2.328 . 0 0 "[ . 1 . 2 ]" 1 1723 1 51 LYS H 1 51 LYS QD 5.500 . 5.500 4.751 4.527 4.900 . 0 0 "[ . 1 . 2 ]" 1 1724 1 99 LEU HA 1 102 LYS QD 4.500 . 4.500 2.446 2.075 2.877 . 0 0 "[ . 1 . 2 ]" 1 1725 1 3 ILE HA 1 52 ILE HB 5.500 . 5.500 2.605 2.277 3.354 . 0 0 "[ . 1 . 2 ]" 1 1726 1 20 VAL QG 1 52 ILE HB 5.500 . 5.500 3.801 3.621 4.012 . 0 0 "[ . 1 . 2 ]" 1 1727 1 19 VAL HB 1 52 ILE QG 4.500 . 4.500 3.969 3.355 4.432 . 0 0 "[ . 1 . 2 ]" 1 1728 1 20 VAL QG 1 52 ILE QG 3.500 . 3.500 2.638 2.140 3.206 . 0 0 "[ . 1 . 2 ]" 1 1729 1 50 LEU HG 1 52 ILE QG 5.500 . 5.500 2.711 2.251 4.341 . 0 0 "[ . 1 . 2 ]" 1 1730 1 52 ILE MD 1 53 VAL H 5.500 . 5.500 5.098 4.953 5.242 . 0 0 "[ . 1 . 2 ]" 1 1731 1 21 LEU H 1 52 ILE MD 4.500 . 4.500 3.836 2.711 4.109 . 0 0 "[ . 1 . 2 ]" 1 1732 1 43 ASP H 1 52 ILE MD 5.500 . 5.500 3.019 2.702 3.593 . 0 0 "[ . 1 . 2 ]" 1 1733 1 40 GLU H 1 52 ILE MD 4.500 . 4.500 4.194 3.541 4.351 . 0 0 "[ . 1 . 2 ]" 1 1734 1 52 ILE HA 1 52 ILE MD 4.500 . 4.500 3.818 3.363 3.898 . 0 0 "[ . 1 . 2 ]" 1 1735 1 3 ILE HA 1 52 ILE MD 4.500 . 4.500 3.833 2.784 4.212 . 0 0 "[ . 1 . 2 ]" 1 1736 1 43 ASP HA 1 52 ILE MD 4.500 . 4.500 2.991 2.382 3.634 . 0 0 "[ . 1 . 2 ]" 1 1737 1 39 LEU HA 1 52 ILE MD 4.500 . 4.500 3.028 2.669 4.269 . 0 0 "[ . 1 . 2 ]" 1 1738 1 43 ASP QB 1 52 ILE MD 4.500 . 4.500 2.079 2.034 2.161 . 0 0 "[ . 1 . 2 ]" 1 1739 1 39 LEU QB 1 52 ILE MD 4.500 . 4.500 2.761 2.134 4.143 . 0 0 "[ . 1 . 2 ]" 1 1740 1 52 ILE HB 1 52 ILE MD 2.800 . 2.800 2.380 2.250 2.610 . 0 0 "[ . 1 . 2 ]" 1 1741 1 3 ILE QG 1 52 ILE MD 3.500 . 3.500 2.256 2.072 3.327 . 0 0 "[ . 1 . 2 ]" 1 1742 1 50 LEU HG 1 52 ILE MD 4.500 . 4.500 3.500 2.492 4.562 0.062 19 0 "[ . 1 . 2 ]" 1 1743 1 39 LEU QB 1 52 ILE MD 4.500 . 4.500 2.827 2.137 4.520 0.020 13 0 "[ . 1 . 2 ]" 1 1744 1 21 LEU QB 1 52 ILE MD 5.500 . 5.500 3.609 3.309 3.826 . 0 0 "[ . 1 . 2 ]" 1 1745 1 39 LEU QD 1 52 ILE MD 2.800 . 2.800 2.034 1.864 2.566 . 0 0 "[ . 1 . 2 ]" 1 1746 1 52 ILE H 1 52 ILE MG 3.500 . 3.500 3.496 3.171 3.633 0.133 1 0 "[ . 1 . 2 ]" 1 1747 1 21 LEU HA 1 52 ILE MG 5.500 . 5.500 3.884 3.651 4.416 . 0 0 "[ . 1 . 2 ]" 1 1748 1 52 ILE HA 1 52 ILE MG 3.500 . 3.500 2.447 2.346 2.604 . 0 0 "[ . 1 . 2 ]" 1 1749 1 3 ILE HA 1 52 ILE MG 4.500 . 4.500 2.895 2.331 3.416 . 0 0 "[ . 1 . 2 ]" 1 1750 1 39 LEU HA 1 52 ILE MG 5.500 . 5.500 4.032 3.592 4.549 . 0 0 "[ . 1 . 2 ]" 1 1751 1 39 LEU QB 1 52 ILE MG 5.500 . 5.500 2.326 2.126 2.627 . 0 0 "[ . 1 . 2 ]" 1 1752 1 3 ILE QG 1 52 ILE MG 5.500 . 5.500 2.127 1.997 2.253 . 0 0 "[ . 1 . 2 ]" 1 1753 1 21 LEU HG 1 52 ILE MG 3.500 . 3.500 3.239 2.629 3.543 0.043 8 0 "[ . 1 . 2 ]" 1 1754 1 21 LEU QB 1 52 ILE MG 4.500 . 4.500 3.178 2.563 3.617 . 0 0 "[ . 1 . 2 ]" 1 1755 1 3 ILE MG 1 52 ILE MG 4.500 . 4.500 1.934 1.818 2.056 . 0 0 "[ . 1 . 2 ]" 1 1756 1 53 VAL HA 1 54 LYS H 2.800 . 2.800 2.267 2.201 2.340 . 0 0 "[ . 1 . 2 ]" 1 1757 1 22 ALA HA 1 53 VAL HA 5.500 . 5.500 4.630 4.491 4.749 . 0 0 "[ . 1 . 2 ]" 1 1758 1 5 LYS HA 1 53 VAL HA 5.500 . 5.500 3.918 3.610 4.241 . 0 0 "[ . 1 . 2 ]" 1 1759 1 3 ILE HA 1 53 VAL HA 5.500 . 5.500 4.133 3.900 4.450 . 0 0 "[ . 1 . 2 ]" 1 1760 1 52 ILE HB 1 53 VAL HA 5.500 . 5.500 4.097 3.809 4.197 . 0 0 "[ . 1 . 2 ]" 1 1761 1 6 ALA MB 1 53 VAL HA 4.500 . 4.500 3.976 3.747 4.095 . 0 0 "[ . 1 . 2 ]" 1 1762 1 53 VAL HA 1 53 VAL QG 2.800 . 2.800 2.189 2.131 2.592 . 0 0 "[ . 1 . 2 ]" 1 1763 1 3 ILE MG 1 53 VAL HA 4.500 . 4.500 3.976 3.775 4.214 . 0 0 "[ . 1 . 2 ]" 1 1764 1 4 VAL QG 1 53 VAL HB 4.500 . 4.500 4.108 2.873 4.232 . 0 0 "[ . 1 . 2 ]" 1 1765 1 22 ALA MB 1 53 VAL HB 4.500 . 4.500 3.026 2.715 4.588 0.088 6 0 "[ . 1 . 2 ]" 1 1766 1 14 GLU QB 1 53 VAL HB 5.500 . 5.500 4.017 3.528 4.195 . 0 0 "[ . 1 . 2 ]" 1 1767 1 14 GLU QG 1 53 VAL HB 5.500 . 5.500 5.418 4.777 5.557 0.057 13 0 "[ . 1 . 2 ]" 1 1768 1 6 ALA HA 1 53 VAL HB 5.500 . 5.500 5.541 3.922 6.413 0.913 1 1 "[+ . 1 . 2 ]" 1 1769 1 23 ASP H 1 53 VAL HB 5.500 . 5.500 4.142 3.873 5.522 0.022 6 0 "[ . 1 . 2 ]" 1 1770 1 11 PHE QD 1 53 VAL HB 5.500 . 5.500 4.178 3.825 5.573 0.073 6 0 "[ . 1 . 2 ]" 1 1771 1 23 ASP H 1 53 VAL QG 5.500 . 5.500 3.987 3.188 4.182 . 0 0 "[ . 1 . 2 ]" 1 1772 1 13 ALA H 1 53 VAL QG 5.500 . 5.500 4.325 4.104 4.837 . 0 0 "[ . 1 . 2 ]" 1 1773 1 11 PHE QD 1 53 VAL QG 3.500 . 3.500 3.480 2.820 3.993 0.493 1 0 "[ . 1 . 2 ]" 1 1774 1 52 ILE HA 1 53 VAL QG 2.800 . 2.800 2.157 2.107 2.476 . 0 0 "[ . 1 . 2 ]" 1 1775 1 6 ALA HA 1 53 VAL QG 3.500 . 3.500 3.031 2.881 3.626 0.126 17 0 "[ . 1 . 2 ]" 1 1776 1 14 GLU HA 1 53 VAL QG 5.500 . 5.500 3.686 3.480 3.906 . 0 0 "[ . 1 . 2 ]" 1 1777 1 14 GLU QB 1 53 VAL QG 2.800 . 2.800 2.139 1.972 2.822 0.022 6 0 "[ . 1 . 2 ]" 1 1778 1 51 LYS QG 1 53 VAL QG . . 2.800 2.526 2.179 2.842 0.042 6 0 "[ . 1 . 2 ]" 1 1779 1 6 ALA MB 1 53 VAL QG 3.500 . 3.500 1.865 1.799 2.342 0.001 20 0 "[ . 1 . 2 ]" 1 1780 1 20 VAL HB 1 53 VAL QG 3.500 . 3.500 3.461 3.353 3.551 0.051 13 0 "[ . 1 . 2 ]" 1 1781 1 23 ASP H 1 54 LYS HA 3.500 . 3.500 2.148 2.064 2.200 . 0 0 "[ . 1 . 2 ]" 1 1782 1 24 PHE QD 1 54 LYS HA 5.500 . 5.500 5.336 5.187 5.508 0.008 12 0 "[ . 1 . 2 ]" 1 1783 1 22 ALA HA 1 54 LYS HA 5.500 . 5.500 4.293 4.104 4.668 . 0 0 "[ . 1 . 2 ]" 1 1784 1 23 ASP QB 1 54 LYS HA 5.500 . 5.500 2.915 2.669 3.251 . 0 0 "[ . 1 . 2 ]" 1 1785 1 23 ASP QB 1 54 LYS HA 5.500 . 5.500 2.811 2.619 3.055 . 0 0 "[ . 1 . 2 ]" 1 1786 1 6 ALA MB 1 54 LYS HA 4.500 . 4.500 3.428 2.280 3.692 . 0 0 "[ . 1 . 2 ]" 1 1787 1 3 ILE MG 1 54 LYS HA 4.500 . 4.500 3.972 3.609 4.466 . 0 0 "[ . 1 . 2 ]" 1 1788 1 3 ILE HA 1 54 LYS QB 5.500 . 5.500 5.096 4.771 5.329 . 0 0 "[ . 1 . 2 ]" 1 1789 1 54 LYS QB 1 54 LYS QE . . 3.500 2.254 2.023 3.720 0.220 12 0 "[ . 1 . 2 ]" 1 1790 1 6 ALA MB 1 54 LYS QB 4.500 . 4.500 4.413 4.311 4.514 0.014 6 0 "[ . 1 . 2 ]" 1 1791 1 3 ILE MG 1 54 LYS QB 5.500 . 5.500 3.056 2.535 3.504 . 0 0 "[ . 1 . 2 ]" 1 1792 1 3 ILE MG 1 54 LYS QG 4.500 . 4.500 2.149 1.914 3.362 . 0 0 "[ . 1 . 2 ]" 1 1793 1 23 ASP H 1 54 LYS QD 5.500 . 5.500 4.632 3.500 4.903 . 0 0 "[ . 1 . 2 ]" 1 1794 1 54 LYS H 1 54 LYS QD 4.500 . 4.500 4.209 3.652 4.503 0.003 18 0 "[ . 1 . 2 ]" 1 1795 1 54 LYS QB 1 54 LYS QD 2.800 . 2.800 2.382 2.178 2.819 0.019 11 0 "[ . 1 . 2 ]" 1 1796 1 35 ILE MG 1 54 LYS QD 4.500 . 4.500 4.517 4.269 4.851 0.351 1 0 "[ . 1 . 2 ]" 1 1797 1 91 LYS QD 1 99 LEU QD 5.500 . 5.500 3.505 2.364 4.644 . 0 0 "[ . 1 . 2 ]" 1 1798 1 39 LEU QD 1 54 LYS QD 3.500 . 3.500 2.649 2.092 3.514 0.014 18 0 "[ . 1 . 2 ]" 1 1799 1 3 ILE MG 1 54 LYS QD 3.500 . 3.500 2.073 1.964 2.164 . 0 0 "[ . 1 . 2 ]" 1 1800 1 23 ASP H 1 54 LYS QE 5.500 . 5.500 3.922 3.442 4.174 . 0 0 "[ . 1 . 2 ]" 1 1801 1 6 ALA H 1 54 LYS QE 5.500 . 5.500 5.097 4.843 5.599 0.099 12 0 "[ . 1 . 2 ]" 1 1802 1 24 PHE QD 1 54 LYS QE 5.500 . 5.500 2.294 2.128 2.539 . 0 0 "[ . 1 . 2 ]" 1 1803 1 54 LYS HA 1 54 LYS QE 5.500 . 5.500 3.796 3.129 4.036 . 0 0 "[ . 1 . 2 ]" 1 1804 1 25 TRP HA 1 54 LYS QE 4.500 . 4.500 4.670 4.562 5.089 0.589 1 1 "[+ . 1 . 2 ]" 1 1805 1 52 ILE MG 1 54 LYS QE 5.500 . 5.500 4.982 4.600 5.532 0.032 7 0 "[ . 1 . 2 ]" 1 1806 1 3 ILE MG 1 54 LYS QE 4.500 . 4.500 2.955 2.150 3.592 . 0 0 "[ . 1 . 2 ]" 1 1807 1 6 ALA H 1 55 ILE HA 5.500 . 5.500 3.508 3.229 3.860 . 0 0 "[ . 1 . 2 ]" 1 1808 1 6 ALA H 1 55 ILE HB 5.500 . 5.500 5.302 5.142 5.416 . 0 0 "[ . 1 . 2 ]" 1 1809 1 55 ILE HB 1 56 ASP H 5.500 . 5.500 4.432 4.287 4.549 . 0 0 "[ . 1 . 2 ]" 1 1810 1 24 PHE QD 1 55 ILE HB 5.500 . 5.500 3.044 2.791 3.185 . 0 0 "[ . 1 . 2 ]" 1 1811 1 11 PHE QD 1 55 ILE HB 5.500 . 5.500 5.491 5.181 5.541 0.041 8 0 "[ . 1 . 2 ]" 1 1812 1 24 PHE HA 1 55 ILE HB 5.500 . 5.500 2.626 2.523 2.802 . 0 0 "[ . 1 . 2 ]" 1 1813 1 54 LYS HA 1 55 ILE HB 5.500 . 5.500 4.329 4.255 4.466 . 0 0 "[ . 1 . 2 ]" 1 1814 1 55 ILE HB 1 55 ILE QG . . 2.800 2.144 2.123 2.169 . 0 0 "[ . 1 . 2 ]" 1 1815 1 53 VAL QG 1 55 ILE HB 5.500 . 5.500 5.498 4.805 5.745 0.245 1 0 "[ . 1 . 2 ]" 1 1816 1 55 ILE HB 1 55 ILE MD 3.500 . 3.500 3.256 3.236 3.273 . 0 0 "[ . 1 . 2 ]" 1 1817 1 24 PHE HA 1 55 ILE QG 5.500 . 5.500 4.287 4.165 4.430 . 0 0 "[ . 1 . 2 ]" 1 1818 1 55 ILE H 1 55 ILE MD 5.500 . 5.500 4.311 4.146 4.383 . 0 0 "[ . 1 . 2 ]" 1 1819 1 6 ALA H 1 55 ILE MD 5.500 . 5.500 3.014 2.917 3.117 . 0 0 "[ . 1 . 2 ]" 1 1820 1 55 ILE MD 1 61 GLN H 5.500 . 5.500 5.409 5.082 5.708 0.208 1 0 "[ . 1 . 2 ]" 1 1821 1 55 ILE MD 1 60 ASN QD 5.500 . 5.500 4.120 2.033 5.286 . 0 0 "[ . 1 . 2 ]" 1 1822 1 55 ILE MD 1 60 ASN H 5.500 . 5.500 3.909 2.032 4.760 . 0 0 "[ . 1 . 2 ]" 1 1823 1 24 PHE QD 1 55 ILE MD 5.500 . 5.500 4.554 4.464 4.711 . 0 0 "[ . 1 . 2 ]" 1 1824 1 11 PHE QD 1 55 ILE MD 4.500 . 4.500 3.462 2.757 3.670 . 0 0 "[ . 1 . 2 ]" 1 1825 1 24 PHE HA 1 55 ILE MD 5.500 . 5.500 4.553 4.262 4.794 . 0 0 "[ . 1 . 2 ]" 1 1826 1 55 ILE MD 1 63 THR HA 5.500 . 5.500 4.548 4.437 4.803 . 0 0 "[ . 1 . 2 ]" 1 1827 1 55 ILE MD 1 63 THR HB 5.500 . 5.500 2.140 2.004 2.411 . 0 0 "[ . 1 . 2 ]" 1 1828 1 11 PHE QB 1 55 ILE MD 5.500 . 5.500 2.499 2.284 2.736 . 0 0 "[ . 1 . 2 ]" 1 1829 1 55 ILE MD 1 56 ASP QB 5.500 . 5.500 4.660 4.528 4.841 . 0 0 "[ . 1 . 2 ]" 1 1830 1 6 ALA MB 1 55 ILE MD 2.800 . 2.800 1.964 1.924 2.096 . 0 0 "[ . 1 . 2 ]" 1 1831 1 55 ILE MD 1 69 VAL QG 5.500 . 5.500 5.569 5.525 5.823 0.323 1 0 "[ . 1 . 2 ]" 1 1832 1 6 ALA H 1 55 ILE MG 5.500 . 5.500 4.271 4.087 4.677 . 0 0 "[ . 1 . 2 ]" 1 1833 1 55 ILE MG 1 60 ASN H 5.500 . 5.500 4.124 3.800 4.336 . 0 0 "[ . 1 . 2 ]" 1 1834 1 24 PHE QD 1 55 ILE MG 4.500 . 4.500 2.468 2.279 2.700 . 0 0 "[ . 1 . 2 ]" 1 1835 1 23 ASP HA 1 55 ILE MG 5.500 . 5.500 5.178 5.146 5.297 . 0 0 "[ . 1 . 2 ]" 1 1836 1 55 ILE MG 1 60 ASN QB 5.500 . 5.500 3.314 2.497 4.144 . 0 0 "[ . 1 . 2 ]" 1 1837 1 54 LYS QE 1 55 ILE MG 5.500 . 5.500 3.472 3.286 3.593 . 0 0 "[ . 1 . 2 ]" 1 1838 1 55 ILE MG 1 57 VAL QG 5.500 . 5.500 1.951 1.882 2.165 . 0 0 "[ . 1 . 2 ]" 1 1839 1 56 ASP HA 1 60 ASN H 5.500 . 5.500 4.591 4.340 4.868 . 0 0 "[ . 1 . 2 ]" 1 1840 1 25 TRP HD1 1 56 ASP HA 5.500 . 5.500 3.154 2.995 3.372 . 0 0 "[ . 1 . 2 ]" 1 1841 1 24 PHE HA 1 56 ASP HA 5.500 . 5.500 4.877 4.680 5.240 . 0 0 "[ . 1 . 2 ]" 1 1842 1 55 ILE HA 1 56 ASP HA 5.500 . 5.500 4.519 4.484 4.538 . 0 0 "[ . 1 . 2 ]" 1 1843 1 56 ASP HA 1 57 VAL HA 5.500 . 5.500 4.419 4.343 4.504 . 0 0 "[ . 1 . 2 ]" 1 1844 1 56 ASP HA 1 57 VAL QG 4.500 . 4.500 3.484 3.278 3.672 . 0 0 "[ . 1 . 2 ]" 1 1845 1 55 ILE MG 1 56 ASP HA 5.500 . 5.500 3.875 3.791 4.009 . 0 0 "[ . 1 . 2 ]" 1 1846 1 56 ASP QB 1 60 ASN QD 4.500 . 4.500 3.383 2.575 4.142 . 0 0 "[ . 1 . 2 ]" 1 1847 1 25 TRP HD1 1 56 ASP QB 5.500 . 5.500 4.338 3.983 5.207 . 0 0 "[ . 1 . 2 ]" 1 1848 1 56 ASP QB 1 60 ASN QB 4.500 . 4.500 3.274 2.302 4.504 0.004 10 0 "[ . 1 . 2 ]" 1 1849 1 54 LYS QB 1 56 ASP QB 5.500 . 5.500 2.589 2.220 3.319 . 0 0 "[ . 1 . 2 ]" 1 1850 1 57 VAL HA 1 58 ASP H 5.500 . 5.500 2.785 2.556 3.702 . 0 0 "[ . 1 . 2 ]" 1 1851 1 57 VAL HA 1 60 ASN H 5.500 . 5.500 3.819 3.122 4.077 . 0 0 "[ . 1 . 2 ]" 1 1852 1 24 PHE QD 1 57 VAL HA 5.500 . 5.500 4.650 4.487 4.756 . 0 0 "[ . 1 . 2 ]" 1 1853 1 57 VAL HA 1 61 GLN QG 5.500 . 5.500 4.144 3.907 4.330 . 0 0 "[ . 1 . 2 ]" 1 1854 1 55 ILE QG 1 57 VAL HA 5.500 . 5.500 3.677 3.426 3.950 . 0 0 "[ . 1 . 2 ]" 1 1855 1 55 ILE MG 1 57 VAL HA 5.500 . 5.500 2.870 2.466 3.129 . 0 0 "[ . 1 . 2 ]" 1 1856 1 38 VAL HB 1 40 GLU H 5.500 . 5.500 5.378 5.284 5.474 . 0 0 "[ . 1 . 2 ]" 1 1857 1 28 TRP HD1 1 57 VAL HB 5.500 . 5.500 4.670 3.347 5.309 . 0 0 "[ . 1 . 2 ]" 1 1858 1 55 ILE H 1 57 VAL QG 5.500 . 5.500 4.304 3.878 4.723 . 0 0 "[ . 1 . 2 ]" 1 1859 1 57 VAL QG 1 60 ASN H 5.500 . 5.500 4.846 4.365 5.033 . 0 0 "[ . 1 . 2 ]" 1 1860 1 25 TRP HD1 1 57 VAL QG 4.500 . 4.500 4.198 3.669 4.454 . 0 0 "[ . 1 . 2 ]" 1 1861 1 24 PHE HA 1 57 VAL QG 4.500 . 4.500 2.858 2.437 3.370 . 0 0 "[ . 1 . 2 ]" 1 1862 1 25 TRP HA 1 57 VAL QG 4.500 . 4.500 3.488 3.290 3.954 . 0 0 "[ . 1 . 2 ]" 1 1863 1 24 PHE QB 1 57 VAL QG 3.500 . 3.500 2.161 2.028 2.556 . 0 0 "[ . 1 . 2 ]" 1 1864 1 57 VAL QG 1 72 ILE QG . . 4.500 3.226 1.909 3.684 . 0 0 "[ . 1 . 2 ]" 1 1865 1 57 VAL QG 1 72 ILE MG . . 4.500 3.130 2.579 3.801 . 0 0 "[ . 1 . 2 ]" 1 1866 1 55 ILE MG 1 57 VAL QG 4.500 . 4.500 1.715 1.631 1.790 0.169 8 0 "[ . 1 . 2 ]" 1 1867 1 28 TRP HZ2 1 57 VAL QG 5.500 . 5.500 5.252 4.819 5.506 0.006 14 0 "[ . 1 . 2 ]" 1 1868 1 57 VAL QG 1 59 GLU H 5.500 . 5.500 4.996 4.200 5.292 . 0 0 "[ . 1 . 2 ]" 1 1869 1 57 VAL QG 1 58 ASP HA . . 4.500 4.310 3.010 4.556 0.056 1 0 "[ . 1 . 2 ]" 1 1870 1 27 PRO QD 1 57 VAL QG 5.500 . 5.500 3.667 2.831 4.138 . 0 0 "[ . 1 . 2 ]" 1 1871 1 55 ILE QG 1 57 VAL QG 4.500 . 4.500 2.172 1.955 2.671 . 0 0 "[ . 1 . 2 ]" 1 1872 1 57 VAL QG 1 72 ILE MD . . 2.800 1.914 1.747 2.104 0.053 8 0 "[ . 1 . 2 ]" 1 1873 1 28 TRP HZ2 1 58 ASP HA 5.500 . 5.500 4.049 3.407 5.514 0.014 13 0 "[ . 1 . 2 ]" 1 1874 1 58 ASP HA 1 58 ASP QB . . 2.800 2.364 2.339 2.408 . 0 0 "[ . 1 . 2 ]" 1 1875 1 58 ASP HA 1 59 GLU QB 4.500 . 4.500 2.977 2.613 4.042 . 0 0 "[ . 1 . 2 ]" 1 1876 1 58 ASP QB 1 60 ASN H 5.500 . 5.500 4.676 4.471 4.918 . 0 0 "[ . 1 . 2 ]" 1 1877 1 58 ASP QB 1 59 GLU QG 5.500 . 5.500 5.521 5.467 5.606 0.106 1 0 "[ . 1 . 2 ]" 1 1878 1 56 ASP QB 1 58 ASP QB 5.500 . 5.500 3.644 3.515 3.746 . 0 0 "[ . 1 . 2 ]" 1 1879 1 56 ASP QB 1 58 ASP QB 3.500 . 3.500 2.355 2.118 2.726 . 0 0 "[ . 1 . 2 ]" 1 1880 1 59 GLU HA 1 60 ASN HA 5.500 . 5.500 4.644 4.584 4.731 . 0 0 "[ . 1 . 2 ]" 1 1881 1 58 ASP HA 1 59 GLU HA 5.500 . 5.500 4.753 4.658 4.865 . 0 0 "[ . 1 . 2 ]" 1 1882 1 58 ASP QB 1 59 GLU HA 5.500 . 5.500 4.414 4.294 4.575 . 0 0 "[ . 1 . 2 ]" 1 1883 1 58 ASP QB 1 59 GLU HA 4.500 . 4.500 4.127 4.013 4.204 . 0 0 "[ . 1 . 2 ]" 1 1884 1 59 GLU HA 1 59 GLU QG 2.800 . 2.800 2.749 2.421 2.919 0.119 16 0 "[ . 1 . 2 ]" 1 1885 1 59 GLU HA 1 59 GLU QB 2.800 . 2.800 2.244 2.183 2.364 . 0 0 "[ . 1 . 2 ]" 1 1886 1 59 GLU QB 1 60 ASN H 3.500 . 3.500 2.793 2.275 3.099 . 0 0 "[ . 1 . 2 ]" 1 1887 1 56 ASP QB 1 59 GLU QB 3.500 . 3.500 2.608 2.224 3.382 . 0 0 "[ . 1 . 2 ]" 1 1888 1 37 PRO HA 1 40 GLU QG 2.800 . 2.800 2.605 2.360 2.701 . 0 0 "[ . 1 . 2 ]" 1 1889 1 62 GLU HA 1 62 GLU QG 2.800 . 2.800 2.435 2.234 2.800 . 0 0 "[ . 1 . 2 ]" 1 1890 1 41 GLU HA 1 41 GLU QG 2.800 . 2.800 2.220 2.033 2.496 . 0 0 "[ . 1 . 2 ]" 1 1891 1 3 ILE QG 1 40 GLU QG 3.500 . 3.500 2.501 2.296 2.670 . 0 0 "[ . 1 . 2 ]" 1 1892 1 58 ASP H 1 59 GLU QG 4.500 . 4.500 4.059 3.933 4.268 . 0 0 "[ . 1 . 2 ]" 1 1893 1 59 GLU H 1 60 ASN HA 5.500 . 5.500 5.071 4.824 5.315 . 0 0 "[ . 1 . 2 ]" 1 1894 1 7 THR HA 1 60 ASN HA 5.500 . 5.500 4.595 4.166 5.286 . 0 0 "[ . 1 . 2 ]" 1 1895 1 60 ASN HA 1 61 GLN HA 4.500 . 4.500 4.631 4.584 4.760 0.260 1 0 "[ . 1 . 2 ]" 1 1896 1 59 GLU QB 1 60 ASN HA 3.500 . 3.500 3.569 3.441 3.725 0.225 1 0 "[ . 1 . 2 ]" 1 1897 1 60 ASN HA 1 62 GLU QB 5.500 . 5.500 3.864 3.309 4.297 . 0 0 "[ . 1 . 2 ]" 1 1898 1 55 ILE MD 1 60 ASN HA 5.500 . 5.500 4.935 4.490 5.373 . 0 0 "[ . 1 . 2 ]" 1 1899 1 61 GLN HA 1 61 GLN QB 2.800 . 2.800 2.157 2.109 2.179 . 0 0 "[ . 1 . 2 ]" 1 1900 1 55 ILE QG 1 61 GLN HA 3.500 . 3.500 2.777 2.274 2.881 . 0 0 "[ . 1 . 2 ]" 1 1901 1 61 GLN QB 1 62 GLU H 5.500 . 5.500 3.871 3.782 3.954 . 0 0 "[ . 1 . 2 ]" 1 1902 1 60 ASN HA 1 61 GLN QB 5.500 . 5.500 4.838 4.515 5.143 . 0 0 "[ . 1 . 2 ]" 1 1903 1 61 GLN QB 1 64 ALA MB 5.500 . 5.500 2.797 2.327 3.023 . 0 0 "[ . 1 . 2 ]" 1 1904 1 60 ASN HA 1 61 GLN QG 5.500 . 5.500 4.623 4.276 5.046 . 0 0 "[ . 1 . 2 ]" 1 1905 1 58 ASP HA 1 61 GLN QG 5.500 . 5.500 3.742 3.271 4.248 . 0 0 "[ . 1 . 2 ]" 1 1906 1 61 GLN HA 1 61 GLN QG 3.500 . 3.500 3.409 3.359 3.540 0.040 20 0 "[ . 1 . 2 ]" 1 1907 1 61 GLN QG 1 62 GLU HA 4.500 . 4.500 3.453 3.088 3.948 . 0 0 "[ . 1 . 2 ]" 1 1908 1 61 GLN QG 1 65 GLY QA 4.500 . 4.500 4.246 3.711 4.524 0.024 20 0 "[ . 1 . 2 ]" 1 1909 1 61 GLN QG 1 62 GLU QB 4.500 . 4.500 4.546 4.503 4.706 0.206 1 0 "[ . 1 . 2 ]" 1 1910 1 55 ILE QG 1 61 GLN QG 5.500 . 5.500 3.941 3.738 4.313 . 0 0 "[ . 1 . 2 ]" 1 1911 1 30 GLY QA 1 33 LYS QD 4.500 . 4.500 2.590 2.415 2.868 . 0 0 "[ . 1 . 2 ]" 1 1912 1 62 GLU QB 1 63 THR HB 5.500 . 5.500 4.721 4.372 5.010 . 0 0 "[ . 1 . 2 ]" 1 1913 1 17 GLU QG 1 62 GLU H 3.500 . 3.500 2.582 2.194 3.262 . 0 0 "[ . 1 . 2 ]" 1 1914 1 59 GLU QG 1 61 GLN H 5.500 . 5.500 3.978 3.689 4.470 . 0 0 "[ . 1 . 2 ]" 1 1915 1 16 SER QB 1 17 GLU QG 3.500 . 3.500 2.306 2.164 2.609 . 0 0 "[ . 1 . 2 ]" 1 1916 1 8 ASP QB 1 62 GLU QG 5.500 . 5.500 3.382 2.485 4.162 . 0 0 "[ . 1 . 2 ]" 1 1917 1 63 THR HA 1 63 THR MG . . 3.500 2.508 2.346 2.680 . 0 0 "[ . 1 . 2 ]" 1 1918 1 63 THR HB 1 66 LYS QB 5.500 . 5.500 4.917 4.680 5.125 . 0 0 "[ . 1 . 2 ]" 1 1919 1 63 THR HB 1 66 LYS QB 5.500 . 5.500 5.070 4.692 5.429 . 0 0 "[ . 1 . 2 ]" 1 1920 1 6 ALA HA 1 63 THR HB 5.500 . 5.500 4.786 4.464 5.305 . 0 0 "[ . 1 . 2 ]" 1 1921 1 7 THR H 1 63 THR HB 5.500 . 5.500 5.009 4.881 5.187 . 0 0 "[ . 1 . 2 ]" 1 1922 1 7 THR H 1 63 THR MG 5.500 . 5.500 4.226 4.068 4.310 . 0 0 "[ . 1 . 2 ]" 1 1923 1 11 PHE QD 1 63 THR MG 2.800 . 2.800 2.708 2.610 2.805 0.005 6 0 "[ . 1 . 2 ]" 1 1924 1 63 THR MG 1 66 LYS QB 5.500 . 5.500 3.926 3.424 4.382 . 0 0 "[ . 1 . 2 ]" 1 1925 1 63 THR MG 1 66 LYS QB 5.500 . 5.500 3.851 3.418 4.219 . 0 0 "[ . 1 . 2 ]" 1 1926 1 63 THR MG 1 64 ALA MB 5.500 . 5.500 4.087 3.889 4.471 . 0 0 "[ . 1 . 2 ]" 1 1927 1 6 ALA MB 1 63 THR MG 3.500 . 3.500 3.420 3.116 3.717 0.217 1 0 "[ . 1 . 2 ]" 1 1928 1 63 THR MG 1 69 VAL QG 5.500 . 5.500 4.349 4.146 4.979 . 0 0 "[ . 1 . 2 ]" 1 1929 1 64 ALA HA 1 65 GLY H 4.500 . 4.500 3.446 3.425 3.487 . 0 0 "[ . 1 . 2 ]" 1 1930 1 64 ALA HA 1 69 VAL H 4.500 . 4.500 4.320 3.462 4.520 0.020 3 0 "[ . 1 . 2 ]" 1 1931 1 64 ALA HA 1 69 VAL HB 4.500 . 4.500 2.851 2.312 4.838 0.338 12 0 "[ . 1 . 2 ]" 1 1932 1 6 ALA MB 1 64 ALA HA 5.500 . 5.500 5.566 5.457 5.625 0.125 1 0 "[ . 1 . 2 ]" 1 1933 1 64 ALA HA 1 69 VAL QG . . 2.800 2.639 2.301 3.053 0.253 1 0 "[ . 1 . 2 ]" 1 1934 1 63 THR MG 1 64 ALA HA 5.500 . 5.500 3.506 3.340 3.975 . 0 0 "[ . 1 . 2 ]" 1 1935 1 63 THR H 1 64 ALA MB 5.500 . 5.500 4.324 3.986 4.407 . 0 0 "[ . 1 . 2 ]" 1 1936 1 24 PHE QD 1 64 ALA MB 3.500 . 3.500 2.082 2.027 2.194 . 0 0 "[ . 1 . 2 ]" 1 1937 1 24 PHE HA 1 64 ALA MB 5.500 . 5.500 4.932 4.785 5.104 . 0 0 "[ . 1 . 2 ]" 1 1938 1 64 ALA MB 1 70 MET HA 4.500 . 4.500 4.308 4.010 4.564 0.064 15 0 "[ . 1 . 2 ]" 1 1939 1 61 GLN HA 1 64 ALA MB 2.800 . 2.800 2.788 2.277 2.899 0.099 15 0 "[ . 1 . 2 ]" 1 1940 1 62 GLU HA 1 64 ALA MB 5.500 . 5.500 4.914 4.818 5.104 . 0 0 "[ . 1 . 2 ]" 1 1941 1 63 THR HA 1 64 ALA MB 3.500 . 3.500 3.486 3.436 3.521 0.021 4 0 "[ . 1 . 2 ]" 1 1942 1 64 ALA MB 1 69 VAL HA 5.500 . 5.500 4.856 4.584 5.585 0.085 15 0 "[ . 1 . 2 ]" 1 1943 1 64 ALA MB 1 69 VAL HB 4.500 . 4.500 2.569 2.138 4.492 . 0 0 "[ . 1 . 2 ]" 1 1944 1 55 ILE HB 1 64 ALA MB 4.500 . 4.500 2.170 1.954 2.659 . 0 0 "[ . 1 . 2 ]" 1 1945 1 57 VAL QG 1 64 ALA MB 4.500 . 4.500 2.179 1.959 2.691 . 0 0 "[ . 1 . 2 ]" 1 1946 1 64 ALA MB 1 69 VAL QG 3.500 . 3.500 2.250 1.968 2.481 . 0 0 "[ . 1 . 2 ]" 1 1947 1 64 ALA MB 1 72 ILE MD 5.500 . 5.500 4.798 4.147 5.204 . 0 0 "[ . 1 . 2 ]" 1 1948 1 64 ALA MB 1 70 MET H 5.500 . 5.500 4.206 3.162 5.213 . 0 0 "[ . 1 . 2 ]" 1 1949 1 65 GLY QA 1 66 LYS QB 5.500 . 5.500 4.235 4.163 4.312 . 0 0 "[ . 1 . 2 ]" 1 1950 1 65 GLY QA 1 66 LYS QB 5.500 . 5.500 3.660 3.527 4.032 . 0 0 "[ . 1 . 2 ]" 1 1951 1 66 LYS H 1 66 LYS HA 2.800 . 2.800 2.828 2.816 2.843 0.043 11 0 "[ . 1 . 2 ]" 1 1952 1 66 LYS HA 1 68 GLY H 4.500 . 4.500 4.186 3.833 4.441 . 0 0 "[ . 1 . 2 ]" 1 1953 1 66 LYS HA 1 67 TYR H 5.500 . 5.500 3.631 3.600 3.662 . 0 0 "[ . 1 . 2 ]" 1 1954 1 66 LYS HA 1 66 LYS QE 5.500 . 5.500 4.195 3.735 4.510 . 0 0 "[ . 1 . 2 ]" 1 1955 1 66 LYS HA 1 66 LYS QB 2.800 . 2.800 2.349 2.319 2.397 . 0 0 "[ . 1 . 2 ]" 1 1956 1 66 LYS HA 1 66 LYS QD 4.500 . 4.500 4.200 3.948 4.343 . 0 0 "[ . 1 . 2 ]" 1 1957 1 63 THR HB 1 66 LYS QB 5.500 . 5.500 4.484 4.222 4.663 . 0 0 "[ . 1 . 2 ]" 1 1958 1 66 LYS QB 1 66 LYS QD . . 2.800 2.365 2.294 2.425 . 0 0 "[ . 1 . 2 ]" 1 1959 1 87 SER QB 1 91 LYS QG 5.500 . 5.500 4.944 4.356 5.433 . 0 0 "[ . 1 . 2 ]" 1 1960 1 66 LYS QE 1 66 LYS QG 2.800 . 2.800 2.132 2.026 2.310 . 0 0 "[ . 1 . 2 ]" 1 1961 1 66 LYS QE 1 66 LYS QG 3.500 . 3.500 2.244 1.824 2.382 . 0 0 "[ . 1 . 2 ]" 1 1962 1 66 LYS QD 1 67 TYR HA 5.500 . 5.500 5.232 4.626 5.576 0.076 12 0 "[ . 1 . 2 ]" 1 1963 1 66 LYS QD 1 67 TYR H 5.500 . 5.500 4.754 3.984 5.239 . 0 0 "[ . 1 . 2 ]" 1 1964 1 66 LYS H 1 66 LYS QE 5.500 . 5.500 4.007 3.870 4.254 . 0 0 "[ . 1 . 2 ]" 1 1965 1 66 LYS QE 1 67 TYR H 5.500 . 5.500 4.768 4.074 5.534 0.034 13 0 "[ . 1 . 2 ]" 1 1966 1 62 GLU HA 1 66 LYS QE 5.500 . 5.500 4.928 4.489 5.502 0.002 12 0 "[ . 1 . 2 ]" 1 1967 1 18 GLY QA 1 51 LYS QE 4.500 . 4.500 3.986 3.683 4.343 . 0 0 "[ . 1 . 2 ]" 1 1968 1 51 LYS QE 1 51 LYS QG 2.800 . 2.800 2.092 1.988 2.280 . 0 0 "[ . 1 . 2 ]" 1 1969 1 66 LYS QE 1 66 LYS QG 2.800 . 2.800 2.449 2.322 2.872 0.072 7 0 "[ . 1 . 2 ]" 1 1970 1 66 LYS H 1 67 TYR HA 5.500 . 5.500 5.377 5.343 5.436 . 0 0 "[ . 1 . 2 ]" 1 1971 1 67 TYR HA 1 68 GLY QA 4.500 . 4.500 4.354 4.205 4.412 . 0 0 "[ . 1 . 2 ]" 1 1972 1 63 THR HA 1 67 TYR HA 4.500 . 4.500 3.965 3.862 4.011 . 0 0 "[ . 1 . 2 ]" 1 1973 1 66 LYS QB 1 67 TYR HA 5.500 . 5.500 4.275 4.122 4.392 . 0 0 "[ . 1 . 2 ]" 1 1974 1 63 THR MG 1 67 TYR HA 5.500 . 5.500 5.427 5.087 5.645 0.145 1 0 "[ . 1 . 2 ]" 1 1975 1 67 TYR HA 1 69 VAL QG 5.500 . 5.500 4.549 3.926 4.920 . 0 0 "[ . 1 . 2 ]" 1 1976 1 66 LYS H 1 67 TYR QB 5.500 . 5.500 4.620 4.536 4.760 . 0 0 "[ . 1 . 2 ]" 1 1977 1 67 TYR QB 1 76 LEU HG 5.500 . 5.500 5.185 4.638 5.616 0.116 1 0 "[ . 1 . 2 ]" 1 1978 1 67 TYR QB 1 69 VAL QG . . 4.500 2.259 1.986 2.724 . 0 0 "[ . 1 . 2 ]" 1 1979 1 64 ALA HA 1 67 TYR QB 5.500 . 5.500 3.095 2.964 3.310 . 0 0 "[ . 1 . 2 ]" 1 1980 1 67 TYR H 1 68 GLY QA 4.500 . 4.500 4.478 4.359 4.534 0.034 1 0 "[ . 1 . 2 ]" 1 1981 1 66 LYS QB 1 68 GLY QA 5.500 . 5.500 4.587 4.423 5.013 . 0 0 "[ . 1 . 2 ]" 1 1982 1 68 GLY QA 1 69 VAL QG 5.500 . 5.500 3.798 3.546 4.105 . 0 0 "[ . 1 . 2 ]" 1 1983 1 69 VAL HA 1 74 THR HB 5.500 . 5.500 5.359 5.005 5.871 0.371 12 0 "[ . 1 . 2 ]" 1 1984 1 64 ALA HA 1 69 VAL HA 5.500 . 5.500 3.995 3.968 4.048 . 0 0 "[ . 1 . 2 ]" 1 1985 1 69 VAL HA 1 70 MET QG 5.500 . 5.500 3.817 3.411 4.469 . 0 0 "[ . 1 . 2 ]" 1 1986 1 67 TYR QB 1 69 VAL HA 5.500 . 5.500 4.210 4.021 4.448 . 0 0 "[ . 1 . 2 ]" 1 1987 1 69 VAL HA 1 70 MET QB 5.500 . 5.500 4.657 4.350 5.269 . 0 0 "[ . 1 . 2 ]" 1 1988 1 69 VAL HA 1 74 THR MG 5.500 . 5.500 3.611 3.154 4.014 . 0 0 "[ . 1 . 2 ]" 1 1989 1 55 ILE QG 1 69 VAL HB 5.500 . 5.500 5.590 5.468 5.706 0.206 5 0 "[ . 1 . 2 ]" 1 1990 1 24 PHE QD 1 69 VAL QG . . 3.500 2.837 2.683 2.981 . 0 0 "[ . 1 . 2 ]" 1 1991 1 24 PHE HA 1 69 VAL QG 5.500 . 5.500 4.626 4.388 5.041 . 0 0 "[ . 1 . 2 ]" 1 1992 1 69 VAL QG 1 72 ILE HA 5.500 . 5.500 4.636 4.130 5.271 . 0 0 "[ . 1 . 2 ]" 1 1993 1 69 VAL QG 1 70 MET HA 3.500 . 3.500 3.539 3.388 3.615 0.115 4 0 "[ . 1 . 2 ]" 1 1994 1 69 VAL QG 1 74 THR HB 3.500 . 3.500 2.390 2.149 2.928 . 0 0 "[ . 1 . 2 ]" 1 1995 1 24 PHE QB 1 69 VAL QG 5.500 . 5.500 2.892 2.564 3.400 . 0 0 "[ . 1 . 2 ]" 1 1996 1 69 VAL QG 1 70 MET QB 4.500 . 4.500 4.378 4.179 4.474 . 0 0 "[ . 1 . 2 ]" 1 1997 1 55 ILE HB 1 69 VAL QG 5.500 . 5.500 5.124 4.928 5.408 . 0 0 "[ . 1 . 2 ]" 1 1998 1 69 VAL QG 1 74 THR MG 2.800 . 2.800 1.979 1.862 2.385 . 0 0 "[ . 1 . 2 ]" 1 1999 1 69 VAL QG 1 76 LEU QD 3.500 . 3.500 2.221 2.003 2.588 . 0 0 "[ . 1 . 2 ]" 1 2000 1 69 VAL QG 1 76 LEU HG 4.500 . 4.500 3.388 3.156 3.878 . 0 0 "[ . 1 . 2 ]" 1 2001 1 69 VAL HA 1 70 MET QB 5.500 . 5.500 4.026 3.526 4.606 . 0 0 "[ . 1 . 2 ]" 1 2002 1 70 MET QG 1 71 SER H 5.500 . 5.500 4.020 3.358 4.477 . 0 0 "[ . 1 . 2 ]" 1 2003 1 33 LYS H 1 34 MET QG 5.500 . 5.500 3.276 3.045 3.655 . 0 0 "[ . 1 . 2 ]" 1 2004 1 70 MET HA 1 70 MET QG 3.500 . 3.500 3.044 2.580 3.528 0.028 2 0 "[ . 1 . 2 ]" 1 2005 1 68 GLY QA 1 70 MET QG 5.500 . 5.500 3.830 2.733 5.180 . 0 0 "[ . 1 . 2 ]" 1 2006 1 70 MET QG 1 71 SER QB 5.500 . 5.500 4.488 3.128 5.511 0.011 21 0 "[ . 1 . 2 ]" 1 2007 1 69 VAL QG 1 70 MET QG 5.500 . 5.500 3.979 3.696 4.483 . 0 0 "[ . 1 . 2 ]" 1 2008 1 31 PRO QB 1 72 ILE MG 3.500 . 3.500 3.451 2.947 3.545 0.045 6 0 "[ . 1 . 2 ]" 1 2009 1 34 MET H 1 34 MET ME 5.500 . 5.500 4.191 4.033 5.172 . 0 0 "[ . 1 . 2 ]" 1 2010 1 34 MET ME 1 35 ILE H 5.500 . 5.500 4.377 4.270 5.496 . 0 0 "[ . 1 . 2 ]" 1 2011 1 31 PRO HA 1 34 MET ME 4.500 . 4.500 2.311 2.139 4.512 0.012 21 0 "[ . 1 . 2 ]" 1 2012 1 30 GLY QA 1 34 MET ME 4.500 . 4.500 3.150 2.436 3.736 . 0 0 "[ . 1 . 2 ]" 1 2013 1 30 GLY QA 1 34 MET ME 5.500 . 5.500 3.253 2.446 4.689 . 0 0 "[ . 1 . 2 ]" 1 2014 1 70 MET QB 1 71 SER HA 5.500 . 5.500 4.588 4.189 5.074 . 0 0 "[ . 1 . 2 ]" 1 2015 1 70 MET ME 1 71 SER HA 5.500 . 5.500 5.037 4.213 5.713 0.213 9 0 "[ . 1 . 2 ]" 1 2016 1 71 SER HA 1 72 ILE QG 5.500 . 5.500 3.387 2.967 4.334 . 0 0 "[ . 1 . 2 ]" 1 2017 1 57 VAL QG 1 71 SER HA 5.500 . 5.500 4.170 3.898 4.586 . 0 0 "[ . 1 . 2 ]" 1 2018 1 71 SER HA 1 72 ILE MG 4.500 . 4.500 4.212 3.921 4.570 0.070 15 0 "[ . 1 . 2 ]" 1 2019 1 71 SER HA 1 72 ILE MD 5.500 . 5.500 3.779 2.871 5.219 . 0 0 "[ . 1 . 2 ]" 1 2020 1 70 MET H 1 71 SER QB 5.500 . 5.500 4.478 3.635 5.469 . 0 0 "[ . 1 . 2 ]" 1 2021 1 70 MET HA 1 71 SER QB 5.500 . 5.500 5.073 4.886 5.302 . 0 0 "[ . 1 . 2 ]" 1 2022 1 70 MET QB 1 71 SER QB 5.500 . 5.500 4.523 3.630 5.509 0.009 15 0 "[ . 1 . 2 ]" 1 2023 1 71 SER QB 1 72 ILE QG 5.500 . 5.500 4.074 3.660 4.253 . 0 0 "[ . 1 . 2 ]" 1 2024 1 71 SER QB 1 88 VAL QG . . 2.800 2.360 1.877 2.765 . 0 0 "[ . 1 . 2 ]" 1 2025 1 72 ILE HA 1 72 ILE MG 3.500 . 3.500 2.371 2.152 2.720 . 0 0 "[ . 1 . 2 ]" 1 2026 1 72 ILE HB 1 74 THR H 5.500 . 5.500 5.628 5.458 6.325 0.825 1 1 "[+ . 1 . 2 ]" 1 2027 1 25 TRP HA 1 72 ILE HB 5.500 . 5.500 4.822 4.430 5.427 . 0 0 "[ . 1 . 2 ]" 1 2028 1 28 TRP HD1 1 72 ILE MD 3.500 . 3.500 2.607 2.015 3.582 0.082 17 0 "[ . 1 . 2 ]" 1 2029 1 29 CYS H 1 72 ILE MD 5.500 . 5.500 4.913 4.100 5.598 0.098 11 0 "[ . 1 . 2 ]" 1 2030 1 25 TRP HA 1 72 ILE MD 4.500 . 4.500 3.601 2.802 4.313 . 0 0 "[ . 1 . 2 ]" 1 2031 1 72 ILE MD 1 74 THR HB 5.500 . 5.500 4.935 3.621 5.593 0.093 12 0 "[ . 1 . 2 ]" 1 2032 1 26 ALA HA 1 72 ILE MD 5.500 . 5.500 4.121 3.843 4.423 . 0 0 "[ . 1 . 2 ]" 1 2033 1 25 TRP QB 1 72 ILE MD 5.500 . 5.500 5.079 4.251 6.009 0.509 12 1 "[ . 1 + . 2 ]" 1 2034 1 72 ILE MD 1 72 ILE MG 3.500 . 3.500 2.162 2.008 2.953 . 0 0 "[ . 1 . 2 ]" 1 2035 1 72 ILE MG 1 74 THR H 5.500 . 5.500 3.648 3.405 4.157 . 0 0 "[ . 1 . 2 ]" 1 2036 1 33 LYS H 1 72 ILE MG 5.500 . 5.500 5.606 5.461 5.658 0.158 10 0 "[ . 1 . 2 ]" 1 2037 1 28 TRP HD1 1 72 ILE MG 5.500 . 5.500 3.213 3.055 3.332 . 0 0 "[ . 1 . 2 ]" 1 2038 1 24 PHE QD 1 72 ILE MG 5.500 . 5.500 5.245 4.938 5.657 0.157 1 0 "[ . 1 . 2 ]" 1 2039 1 72 ILE MG 1 73 PRO HA 5.500 . 5.500 2.157 2.023 2.303 . 0 0 "[ . 1 . 2 ]" 1 2040 1 24 PHE HA 1 72 ILE MG 5.500 . 5.500 5.255 4.886 5.844 0.344 1 0 "[ . 1 . 2 ]" 1 2041 1 25 TRP HA 1 72 ILE MG 4.500 . 4.500 2.434 2.082 2.707 . 0 0 "[ . 1 . 2 ]" 1 2042 1 31 PRO HA 1 72 ILE MG 5.500 . 5.500 3.636 3.431 3.816 . 0 0 "[ . 1 . 2 ]" 1 2043 1 72 ILE MG 1 73 PRO QD 5.500 . 5.500 3.374 2.969 3.870 . 0 0 "[ . 1 . 2 ]" 1 2044 1 71 SER QB 1 72 ILE MG 5.500 . 5.500 5.398 5.257 5.527 0.027 17 0 "[ . 1 . 2 ]" 1 2045 1 29 CYS QB 1 72 ILE MG 4.500 . 4.500 2.962 2.026 4.367 . 0 0 "[ . 1 . 2 ]" 1 2046 1 26 ALA MB 1 72 ILE MG 5.500 . 5.500 3.154 2.442 3.786 . 0 0 "[ . 1 . 2 ]" 1 2047 1 72 ILE HA 1 73 PRO HA 5.500 . 5.500 2.119 2.026 2.317 . 0 0 "[ . 1 . 2 ]" 1 2048 1 34 MET QB 1 73 PRO HA 5.500 . 5.500 3.871 3.482 4.198 . 0 0 "[ . 1 . 2 ]" 1 2049 1 74 THR HA 1 88 VAL HA 4.500 . 4.500 2.296 2.189 2.408 . 0 0 "[ . 1 . 2 ]" 1 2050 1 74 THR HA 1 75 LEU QB 5.500 . 5.500 3.726 3.479 3.872 . 0 0 "[ . 1 . 2 ]" 1 2051 1 74 THR HA 1 74 THR MG . . 2.800 2.408 2.295 2.493 . 0 0 "[ . 1 . 2 ]" 1 2052 1 74 THR HA 1 76 LEU QD 5.500 . 5.500 4.875 4.617 5.155 . 0 0 "[ . 1 . 2 ]" 1 2053 1 74 THR HA 1 88 VAL QG 3.500 . 3.500 2.976 2.347 3.359 . 0 0 "[ . 1 . 2 ]" 1 2054 1 24 PHE QD 1 74 THR HB 5.500 . 5.500 3.425 3.258 3.608 . 0 0 "[ . 1 . 2 ]" 1 2055 1 72 ILE HA 1 74 THR HB 5.500 . 5.500 4.255 3.866 4.665 . 0 0 "[ . 1 . 2 ]" 1 2056 1 69 VAL QG 1 74 THR HB 4.500 . 4.500 2.369 2.139 2.874 . 0 0 "[ . 1 . 2 ]" 1 2057 1 24 PHE H 1 74 THR MG 4.500 . 4.500 3.484 3.237 3.808 . 0 0 "[ . 1 . 2 ]" 1 2058 1 74 THR MG 1 76 LEU H 5.500 . 5.500 4.173 3.568 4.412 . 0 0 "[ . 1 . 2 ]" 1 2059 1 24 PHE QD 1 74 THR MG 4.500 . 4.500 3.218 3.000 3.440 . 0 0 "[ . 1 . 2 ]" 1 2060 1 74 THR MG 1 75 LEU HA 5.500 . 5.500 3.741 3.575 3.879 . 0 0 "[ . 1 . 2 ]" 1 2061 1 74 THR MG 1 76 LEU HA . . 4.500 4.412 4.223 4.623 0.123 1 0 "[ . 1 . 2 ]" 1 2062 1 69 VAL HA 1 74 THR MG 5.500 . 5.500 3.486 3.119 3.899 . 0 0 "[ . 1 . 2 ]" 1 2063 1 24 PHE QB 1 74 THR MG 5.500 . 5.500 3.340 3.115 3.495 . 0 0 "[ . 1 . 2 ]" 1 2064 1 72 ILE HB 1 74 THR MG 5.500 . 5.500 4.291 2.698 5.119 . 0 0 "[ . 1 . 2 ]" 1 2065 1 74 THR MG 1 75 LEU HG 4.500 . 4.500 4.192 4.031 4.343 . 0 0 "[ . 1 . 2 ]" 1 2066 1 74 THR MG 1 76 LEU QD 2.800 . 2.800 2.372 2.139 2.624 . 0 0 "[ . 1 . 2 ]" 1 2067 1 74 THR MG 1 76 LEU HG 2.800 . 2.800 2.813 2.630 2.857 0.057 1 0 "[ . 1 . 2 ]" 1 2068 1 24 PHE H 1 75 LEU HA 5.500 . 5.500 3.667 3.413 3.784 . 0 0 "[ . 1 . 2 ]" 1 2069 1 21 LEU HA 1 75 LEU HA 5.500 . 5.500 5.156 5.021 5.294 . 0 0 "[ . 1 . 2 ]" 1 2070 1 75 LEU HA 1 76 LEU HG 5.500 . 5.500 3.886 3.704 4.039 . 0 0 "[ . 1 . 2 ]" 1 2071 1 75 LEU QB 1 87 SER HA 5.500 . 5.500 4.611 4.341 4.851 . 0 0 "[ . 1 . 2 ]" 1 2072 1 99 LEU QB 1 99 LEU QD 2.800 . 2.800 1.967 1.907 2.078 . 0 0 "[ . 1 . 2 ]" 1 2073 1 75 LEU QB 1 75 LEU QD . . 2.800 1.936 1.888 1.978 . 0 0 "[ . 1 . 2 ]" 1 2074 1 75 LEU QB 1 91 LYS QB 5.500 . 5.500 3.908 3.747 4.277 . 0 0 "[ . 1 . 2 ]" 1 2075 1 75 LEU QD 1 77 VAL QG 3.500 . 3.500 1.844 1.699 2.051 0.101 9 0 "[ . 1 . 2 ]" 1 2076 1 75 LEU QD 1 100 VAL QG 5.500 . 5.500 4.273 4.035 4.655 . 0 0 "[ . 1 . 2 ]" 1 2077 1 75 LEU QD 1 91 LYS QB 5.500 . 5.500 3.355 2.940 4.005 . 0 0 "[ . 1 . 2 ]" 1 2078 1 35 ILE QG 1 75 LEU QD 4.500 . 4.500 2.574 2.341 2.693 . 0 0 "[ . 1 . 2 ]" 1 2079 1 21 LEU QB 1 75 LEU QD 5.500 . 5.500 4.077 3.756 4.340 . 0 0 "[ . 1 . 2 ]" 1 2080 1 75 LEU QD 1 100 VAL HB 4.500 . 4.500 4.469 4.063 5.067 0.567 1 1 "[+ . 1 . 2 ]" 1 2081 1 74 THR HB 1 75 LEU QD 5.500 . 5.500 3.631 3.376 4.039 . 0 0 "[ . 1 . 2 ]" 1 2082 1 21 LEU HA 1 75 LEU QD 4.500 . 4.500 3.817 3.140 4.060 . 0 0 "[ . 1 . 2 ]" 1 2083 1 75 LEU QD 1 99 LEU H 5.500 . 5.500 5.552 5.332 6.128 0.628 1 1 "[+ . 1 . 2 ]" 1 2084 1 75 LEU QD 1 76 LEU H 4.500 . 4.500 3.368 2.488 3.777 . 0 0 "[ . 1 . 2 ]" 1 2085 1 24 PHE H 1 75 LEU QD 4.500 . 4.500 3.412 3.104 3.684 . 0 0 "[ . 1 . 2 ]" 1 2086 1 75 LEU H 1 75 LEU QD 4.500 . 4.500 3.745 3.556 3.920 . 0 0 "[ . 1 . 2 ]" 1 2087 1 22 ALA H 1 75 LEU QD 5.500 . 5.500 4.177 3.155 4.597 . 0 0 "[ . 1 . 2 ]" 1 2088 1 75 LEU H 1 75 LEU HG 5.500 . 5.500 3.935 3.184 4.721 . 0 0 "[ . 1 . 2 ]" 1 2089 1 24 PHE H 1 75 LEU HG 5.500 . 5.500 4.508 3.902 4.966 . 0 0 "[ . 1 . 2 ]" 1 2090 1 75 LEU HG 1 76 LEU H 5.500 . 5.500 4.243 2.881 5.204 . 0 0 "[ . 1 . 2 ]" 1 2091 1 23 ASP HA 1 75 LEU HG 5.500 . 5.500 4.036 2.699 4.566 . 0 0 "[ . 1 . 2 ]" 1 2092 1 74 THR MG 1 75 LEU HG 5.500 . 5.500 4.957 4.419 5.552 0.052 16 0 "[ . 1 . 2 ]" 1 2093 1 75 LEU HG 1 77 VAL QG 4.500 . 4.500 3.352 2.449 3.910 . 0 0 "[ . 1 . 2 ]" 1 2094 1 22 ALA MB 1 76 LEU QB 5.500 . 5.500 2.097 1.981 2.282 . 0 0 "[ . 1 . 2 ]" 1 2095 1 76 LEU QB 1 76 LEU QD . . 2.800 1.967 1.942 1.981 . 0 0 "[ . 1 . 2 ]" 1 2096 1 76 LEU QB 1 78 LEU QD 3.500 . 3.500 2.299 2.027 2.609 . 0 0 "[ . 1 . 2 ]" 1 2097 1 74 THR MG 1 76 LEU QD 2.800 . 2.800 1.810 1.761 1.897 0.039 15 0 "[ . 1 . 2 ]" 1 2098 1 67 TYR QB 1 76 LEU QD 5.500 . 5.500 2.797 2.281 3.078 . 0 0 "[ . 1 . 2 ]" 1 2099 1 76 LEU QD 1 86 THR HB 5.500 . 5.500 4.247 4.043 4.388 . 0 0 "[ . 1 . 2 ]" 1 2100 1 76 LEU QD 1 86 THR HA . . 2.800 3.191 3.079 3.241 0.441 15 0 "[ . 1 . 2 ]" 1 2101 1 75 LEU HA 1 76 LEU QD 5.500 . 5.500 4.259 4.081 4.392 . 0 0 "[ . 1 . 2 ]" 1 2102 1 24 PHE QD 1 76 LEU QD 5.500 . 5.500 3.854 3.741 4.004 . 0 0 "[ . 1 . 2 ]" 1 2103 1 76 LEU QD 1 77 VAL H 5.500 . 5.500 4.037 3.952 4.174 . 0 0 "[ . 1 . 2 ]" 1 2104 1 76 LEU H 1 76 LEU QD 4.500 . 4.500 3.485 3.132 3.618 . 0 0 "[ . 1 . 2 ]" 1 2105 1 75 LEU H 1 76 LEU QD 5.500 . 5.500 3.727 3.423 3.977 . 0 0 "[ . 1 . 2 ]" 1 2106 1 63 THR MG 1 76 LEU HG 5.500 . 5.500 5.615 5.510 6.672 1.172 1 1 "[+ . 1 . 2 ]" 1 2107 1 22 ALA MB 1 76 LEU HG 3.500 . 3.500 3.557 3.503 3.612 0.112 18 0 "[ . 1 . 2 ]" 1 2108 1 76 LEU QB 1 76 LEU HG 2.800 . 2.800 2.356 2.313 2.385 . 0 0 "[ . 1 . 2 ]" 1 2109 1 24 PHE QD 1 76 LEU HG 4.500 . 4.500 3.392 3.238 3.598 . 0 0 "[ . 1 . 2 ]" 1 2110 1 76 LEU HG 1 77 VAL H 5.500 . 5.500 5.489 5.396 5.536 0.036 9 0 "[ . 1 . 2 ]" 1 2111 1 21 LEU QB 1 77 VAL HA 5.500 . 5.500 3.641 3.450 3.753 . 0 0 "[ . 1 . 2 ]" 1 2112 1 77 VAL HA 1 77 VAL QG 2.800 . 2.800 2.134 2.062 2.157 . 0 0 "[ . 1 . 2 ]" 1 2113 1 77 VAL HA 1 77 VAL QG 2.800 . 2.800 2.103 2.036 2.137 . 0 0 "[ . 1 . 2 ]" 1 2114 1 77 VAL HB 1 86 THR HB 4.500 . 4.500 4.553 4.351 4.747 0.247 1 0 "[ . 1 . 2 ]" 1 2115 1 77 VAL HB 1 85 GLU QB 2.800 . 2.800 2.120 1.976 2.218 . 0 0 "[ . 1 . 2 ]" 1 2116 1 77 VAL HB 1 84 VAL QG 4.500 . 4.500 2.788 2.602 2.997 . 0 0 "[ . 1 . 2 ]" 1 2117 1 77 VAL QG 1 78 LEU H 4.500 . 4.500 2.767 2.414 3.070 . 0 0 "[ . 1 . 2 ]" 1 2118 1 77 VAL QG 1 84 VAL H 5.500 . 5.500 4.048 3.670 4.204 . 0 0 "[ . 1 . 2 ]" 1 2119 1 76 LEU H 1 77 VAL QG 5.500 . 5.500 4.038 3.629 4.371 . 0 0 "[ . 1 . 2 ]" 1 2120 1 77 VAL QG 1 85 GLU H . . 4.500 3.280 3.162 3.413 . 0 0 "[ . 1 . 2 ]" 1 2121 1 77 VAL QG 1 103 HIS HD2 5.500 . 5.500 3.388 2.908 3.886 . 0 0 "[ . 1 . 2 ]" 1 2122 1 21 LEU HA 1 77 VAL QG 4.500 . 4.500 2.623 2.089 3.100 . 0 0 "[ . 1 . 2 ]" 1 2123 1 77 VAL QG 1 85 GLU HA 5.500 . 5.500 4.273 4.014 4.546 . 0 0 "[ . 1 . 2 ]" 1 2124 1 77 VAL QG 1 83 VAL HA 5.500 . 5.500 4.271 4.130 4.479 . 0 0 "[ . 1 . 2 ]" 1 2125 1 77 VAL QG 1 100 VAL HA . . 4.500 2.336 2.204 2.608 . 0 0 "[ . 1 . 2 ]" 1 2126 1 77 VAL QG 1 85 GLU QG 5.500 . 5.500 3.420 2.779 3.685 . 0 0 "[ . 1 . 2 ]" 1 2127 1 77 VAL QG 1 100 VAL HB 4.500 . 4.500 2.636 2.378 2.912 . 0 0 "[ . 1 . 2 ]" 1 2128 1 21 LEU QB 1 77 VAL QG 4.500 . 4.500 2.161 2.020 2.315 . 0 0 "[ . 1 . 2 ]" 1 2129 1 75 LEU QB 1 77 VAL QG 2.800 . 2.800 2.185 2.001 2.445 . 0 0 "[ . 1 . 2 ]" 1 2130 1 75 LEU QB 1 77 VAL QG 4.500 . 4.500 3.271 2.447 4.152 . 0 0 "[ . 1 . 2 ]" 1 2131 1 21 LEU QB 1 77 VAL QG 4.500 . 4.500 3.030 2.462 3.436 . 0 0 "[ . 1 . 2 ]" 1 2132 1 77 VAL QG 1 84 VAL QG . . 2.800 2.657 2.237 2.843 0.043 6 0 "[ . 1 . 2 ]" 1 2133 1 20 VAL H 1 77 VAL QG 5.500 . 5.500 3.920 3.536 4.327 . 0 0 "[ . 1 . 2 ]" 1 2134 1 77 VAL QG 1 79 LYS H 5.500 . 5.500 5.108 4.716 5.396 . 0 0 "[ . 1 . 2 ]" 1 2135 1 77 VAL QG 1 103 HIS QB 5.500 . 5.500 3.468 2.670 5.014 . 0 0 "[ . 1 . 2 ]" 1 2136 1 77 VAL QG 1 79 LYS QG 5.500 . 5.500 4.958 3.744 5.524 0.024 5 0 "[ . 1 . 2 ]" 1 2137 1 77 VAL QG 1 100 VAL QG 4.500 . 4.500 2.091 1.984 2.200 . 0 0 "[ . 1 . 2 ]" 1 2138 1 78 LEU HA 1 83 VAL QG 5.500 . 5.500 2.514 2.179 2.751 . 0 0 "[ . 1 . 2 ]" 1 2139 1 78 LEU HA 1 83 VAL QG . . 4.500 3.525 3.333 3.711 . 0 0 "[ . 1 . 2 ]" 1 2140 1 78 LEU HA 1 83 VAL HA 5.500 . 5.500 2.196 2.106 2.278 . 0 0 "[ . 1 . 2 ]" 1 2141 1 78 LEU HA 1 84 VAL HA 5.500 . 5.500 5.310 5.033 5.519 0.019 5 0 "[ . 1 . 2 ]" 1 2142 1 78 LEU HA 1 84 VAL QG 5.500 . 5.500 2.584 2.201 2.904 . 0 0 "[ . 1 . 2 ]" 1 2143 1 20 VAL HB 1 78 LEU QB 5.500 . 5.500 3.133 2.540 4.782 . 0 0 "[ . 1 . 2 ]" 1 2144 1 78 LEU QB 1 83 VAL QG . . 4.500 3.977 3.722 4.518 0.018 14 0 "[ . 1 . 2 ]" 1 2145 1 78 LEU HG 1 79 LYS H 5.500 . 5.500 4.121 3.458 4.481 . 0 0 "[ . 1 . 2 ]" 1 2146 1 78 LEU HG 1 83 VAL HB 5.500 . 5.500 4.227 2.971 4.818 . 0 0 "[ . 1 . 2 ]" 1 2147 1 78 LEU QD 1 81 GLY H 5.500 . 5.500 4.155 3.777 4.472 . 0 0 "[ . 1 . 2 ]" 1 2148 1 20 VAL H 1 78 LEU QD 5.500 . 5.500 4.623 4.351 5.107 . 0 0 "[ . 1 . 2 ]" 1 2149 1 77 VAL HA 1 78 LEU QD 5.500 . 5.500 3.256 2.803 3.780 . 0 0 "[ . 1 . 2 ]" 1 2150 1 78 LEU QD 1 81 GLY QA . . 4.500 3.682 2.823 4.504 0.004 16 0 "[ . 1 . 2 ]" 1 2151 1 78 LEU QD 1 83 VAL QG . . 2.800 2.229 2.096 2.839 0.039 19 0 "[ . 1 . 2 ]" 1 2152 1 76 LEU QD 1 78 LEU QD 2.800 . 2.800 2.156 2.055 2.386 . 0 0 "[ . 1 . 2 ]" 1 2153 1 20 VAL H 1 79 LYS HA 5.500 . 5.500 3.291 2.966 3.552 . 0 0 "[ . 1 . 2 ]" 1 2154 1 79 LYS HA 1 80 ASP HA 5.500 . 5.500 4.264 4.203 4.327 . 0 0 "[ . 1 . 2 ]" 1 2155 1 19 VAL QG 1 79 LYS HA 5.500 . 5.500 2.791 2.478 3.169 . 0 0 "[ . 1 . 2 ]" 1 2156 1 79 LYS HA 1 84 VAL QG 5.500 . 5.500 4.057 3.779 4.346 . 0 0 "[ . 1 . 2 ]" 1 2157 1 78 LEU QD 1 79 LYS HA 5.500 . 5.500 5.118 4.926 5.312 . 0 0 "[ . 1 . 2 ]" 1 2158 1 79 LYS QB 1 84 VAL QG . . 3.500 2.535 1.821 3.160 . 0 0 "[ . 1 . 2 ]" 1 2159 1 79 LYS QG 1 80 ASP H 5.500 . 5.500 3.790 2.760 4.561 . 0 0 "[ . 1 . 2 ]" 1 2160 1 79 LYS QE 1 80 ASP H 5.500 . 5.500 4.672 4.239 5.320 . 0 0 "[ . 1 . 2 ]" 1 2161 1 19 VAL HA 1 79 LYS QE 5.500 . 5.500 4.119 3.629 4.923 . 0 0 "[ . 1 . 2 ]" 1 2162 1 79 LYS QB 1 79 LYS QE 2.800 . 2.800 1.999 1.893 2.417 . 0 0 "[ . 1 . 2 ]" 1 2163 1 79 LYS QE 1 84 VAL QG 3.500 . 3.500 3.477 2.072 3.765 0.265 1 0 "[ . 1 . 2 ]" 1 2164 1 80 ASP HA 1 81 GLY H 4.500 . 4.500 2.930 2.815 3.071 . 0 0 "[ . 1 . 2 ]" 1 2165 1 79 LYS H 1 80 ASP HA 5.500 . 5.500 5.537 5.459 5.611 0.111 1 0 "[ . 1 . 2 ]" 1 2166 1 17 GLU H 1 80 ASP HA 5.500 . 5.500 4.173 3.636 4.631 . 0 0 "[ . 1 . 2 ]" 1 2167 1 19 VAL HA 1 80 ASP HA 4.500 . 4.500 4.150 4.087 4.219 . 0 0 "[ . 1 . 2 ]" 1 2168 1 17 GLU HA 1 80 ASP HA 2.800 . 2.800 2.392 2.210 2.546 . 0 0 "[ . 1 . 2 ]" 1 2169 1 16 SER HA 1 80 ASP HA 5.500 . 5.500 3.980 3.742 4.179 . 0 0 "[ . 1 . 2 ]" 1 2170 1 79 LYS QB 1 80 ASP HA 5.500 . 5.500 4.347 4.123 4.640 . 0 0 "[ . 1 . 2 ]" 1 2171 1 80 ASP HA 1 81 GLY QA 5.500 . 5.500 4.033 3.984 4.082 . 0 0 "[ . 1 . 2 ]" 1 2172 1 79 LYS QB 1 80 ASP QB 5.500 . 5.500 2.986 2.634 3.461 . 0 0 "[ . 1 . 2 ]" 1 2173 1 17 GLU HA 1 80 ASP QB 5.500 . 5.500 4.112 3.699 4.450 . 0 0 "[ . 1 . 2 ]" 1 2174 1 78 LEU QB 1 81 GLY QA 5.500 . 5.500 4.112 3.348 4.876 . 0 0 "[ . 1 . 2 ]" 1 2175 1 17 GLU HA 1 81 GLY QA 5.500 . 5.500 5.034 4.689 5.286 . 0 0 "[ . 1 . 2 ]" 1 2176 1 16 SER H 1 81 GLY QA 5.500 . 5.500 4.372 3.983 4.903 . 0 0 "[ . 1 . 2 ]" 1 2177 1 80 ASP H 1 81 GLY QA 5.500 . 5.500 4.873 4.737 5.067 . 0 0 "[ . 1 . 2 ]" 1 2178 1 79 LYS H 1 81 GLY QA 5.500 . 5.500 4.862 4.610 5.136 . 0 0 "[ . 1 . 2 ]" 1 2179 1 78 LEU HA 1 82 GLU HA 5.500 . 5.500 5.054 4.839 5.254 . 0 0 "[ . 1 . 2 ]" 1 2180 1 16 SER HA 1 82 GLU HA 5.500 . 5.500 4.350 4.247 4.417 . 0 0 "[ . 1 . 2 ]" 1 2181 1 82 GLU HA 1 83 VAL HB 5.500 . 5.500 4.705 4.345 4.877 . 0 0 "[ . 1 . 2 ]" 1 2182 1 82 GLU HA 1 83 VAL QG 4.500 . 4.500 3.677 3.442 3.957 . 0 0 "[ . 1 . 2 ]" 1 2183 1 19 VAL HB 1 80 ASP H 5.500 . 5.500 5.112 5.041 5.187 . 0 0 "[ . 1 . 2 ]" 1 2184 1 80 ASP H 1 82 GLU QB 5.500 . 5.500 5.515 5.412 5.587 0.087 9 0 "[ . 1 . 2 ]" 1 2185 1 78 LEU HA 1 82 GLU QB 5.500 . 5.500 5.506 5.453 5.547 0.047 19 0 "[ . 1 . 2 ]" 1 2186 1 81 GLY QA 1 82 GLU QB 5.500 . 5.500 3.897 3.149 4.230 . 0 0 "[ . 1 . 2 ]" 1 2187 1 16 SER HA 1 82 GLU QB 5.500 . 5.500 4.737 4.636 4.838 . 0 0 "[ . 1 . 2 ]" 1 2188 1 19 VAL HB 1 52 ILE QG 4.500 . 4.500 3.404 2.783 3.795 . 0 0 "[ . 1 . 2 ]" 1 2189 1 79 LYS QB 1 82 GLU QB 5.500 . 5.500 4.885 4.294 5.377 . 0 0 "[ . 1 . 2 ]" 1 2190 1 82 GLU QB 1 84 VAL QG 5.500 . 5.500 4.340 3.944 5.063 . 0 0 "[ . 1 . 2 ]" 1 2191 1 19 VAL HB 1 84 VAL QG 5.500 . 5.500 2.196 2.067 2.304 . 0 0 "[ . 1 . 2 ]" 1 2192 1 82 GLU QB 1 83 VAL QG 5.500 . 5.500 4.176 3.604 4.458 . 0 0 "[ . 1 . 2 ]" 1 2193 1 78 LEU QD 1 82 GLU QB 5.500 . 5.500 4.451 4.137 4.839 . 0 0 "[ . 1 . 2 ]" 1 2194 1 81 GLY H 1 82 GLU QG 4.500 . 4.500 4.508 4.286 4.686 0.186 1 0 "[ . 1 . 2 ]" 1 2195 1 79 LYS QB 1 82 GLU QG 5.500 . 5.500 3.152 2.433 3.706 . 0 0 "[ . 1 . 2 ]" 1 2196 1 82 GLU QG 1 83 VAL QG 5.500 . 5.500 4.454 4.088 4.717 . 0 0 "[ . 1 . 2 ]" 1 2197 1 82 GLU QG 1 84 VAL QG 3.500 . 3.500 2.719 2.276 3.547 0.047 2 0 "[ . 1 . 2 ]" 1 2198 1 83 VAL HA 1 84 VAL QG . . 3.500 3.269 3.097 3.512 0.012 21 0 "[ . 1 . 2 ]" 1 2199 1 78 LEU QD 1 83 VAL HA 4.500 . 4.500 2.967 2.249 3.337 . 0 0 "[ . 1 . 2 ]" 1 2200 1 78 LEU HG 1 83 VAL HA 5.500 . 5.500 2.344 2.122 2.693 . 0 0 "[ . 1 . 2 ]" 1 2201 1 82 GLU HA 1 83 VAL HA 5.500 . 5.500 4.349 4.307 4.397 . 0 0 "[ . 1 . 2 ]" 1 2202 1 83 VAL HB 1 84 VAL H 5.500 . 5.500 4.118 4.007 4.180 . 0 0 "[ . 1 . 2 ]" 1 2203 1 78 LEU HA 1 83 VAL HB 5.500 . 5.500 5.020 4.185 5.298 . 0 0 "[ . 1 . 2 ]" 1 2204 1 78 LEU QD 1 83 VAL HB 4.500 . 4.500 3.864 2.355 4.488 . 0 0 "[ . 1 . 2 ]" 1 2205 1 77 VAL H 1 83 VAL QG 4.500 . 4.500 2.866 2.647 3.082 . 0 0 "[ . 1 . 2 ]" 1 2206 1 83 VAL QG 1 84 VAL HA 3.500 . 3.500 3.329 3.241 3.423 . 0 0 "[ . 1 . 2 ]" 1 2207 1 83 VAL QG 1 86 THR HB 5.500 . 5.500 4.316 4.080 4.695 . 0 0 "[ . 1 . 2 ]" 1 2208 1 76 LEU QB 1 83 VAL QG 2.800 . 2.800 2.440 2.117 2.822 0.022 2 0 "[ . 1 . 2 ]" 1 2209 1 82 GLU HA 1 83 VAL QG 4.500 . 4.500 3.318 3.152 3.458 . 0 0 "[ . 1 . 2 ]" 1 2210 1 82 GLU QB 1 83 VAL QG 5.500 . 5.500 3.764 3.430 3.942 . 0 0 "[ . 1 . 2 ]" 1 2211 1 78 LEU HG 1 83 VAL QG 4.500 . 4.500 2.472 2.134 3.630 . 0 0 "[ . 1 . 2 ]" 1 2212 1 84 VAL HA 1 85 GLU H 5.500 . 5.500 3.525 3.500 3.597 . 0 0 "[ . 1 . 2 ]" 1 2213 1 84 VAL HA 1 84 VAL HB 2.800 . 2.800 2.457 2.333 2.558 . 0 0 "[ . 1 . 2 ]" 1 2214 1 84 VAL HA 1 84 VAL QG 2.800 . 2.800 2.255 2.147 2.404 . 0 0 "[ . 1 . 2 ]" 1 2215 1 73 PRO QB 1 89 GLY H 5.500 . 5.500 4.340 3.542 4.807 . 0 0 "[ . 1 . 2 ]" 1 2216 1 84 VAL HB 1 85 GLU H 4.500 . 4.500 4.144 3.983 4.344 . 0 0 "[ . 1 . 2 ]" 1 2217 1 73 PRO QB 1 84 VAL HA 2.800 . 2.800 2.450 2.329 2.549 . 0 0 "[ . 1 . 2 ]" 1 2218 1 83 VAL HA 1 84 VAL HB 5.500 . 5.500 5.236 4.233 5.671 0.171 1 0 "[ . 1 . 2 ]" 1 2219 1 79 LYS QD 1 84 VAL HB 4.500 . 4.500 3.428 2.937 4.140 . 0 0 "[ . 1 . 2 ]" 1 2220 1 79 LYS QG 1 84 VAL HB 5.500 . 5.500 3.763 2.284 5.186 . 0 0 "[ . 1 . 2 ]" 1 2221 1 79 LYS QD 1 84 VAL QG 2.800 . 2.800 2.050 1.884 2.442 . 0 0 "[ . 1 . 2 ]" 1 2222 1 77 VAL HB 1 84 VAL QG 4.500 . 4.500 2.854 2.622 3.343 . 0 0 "[ . 1 . 2 ]" 1 2223 1 78 LEU H 1 84 VAL QG 5.500 . 5.500 3.845 3.584 4.161 . 0 0 "[ . 1 . 2 ]" 1 2224 1 84 VAL QG 1 103 HIS HD2 5.500 . 5.500 3.632 3.184 4.383 . 0 0 "[ . 1 . 2 ]" 1 2225 1 84 VAL QG 1 103 HIS QB 5.500 . 5.500 2.392 2.154 3.292 . 0 0 "[ . 1 . 2 ]" 1 2226 1 82 GLU QB 1 84 VAL QG 5.500 . 5.500 2.944 2.705 3.160 . 0 0 "[ . 1 . 2 ]" 1 2227 1 84 VAL H 1 85 GLU HA 5.500 . 5.500 4.516 4.385 4.632 . 0 0 "[ . 1 . 2 ]" 1 2228 1 85 GLU HA 1 86 THR HB 5.500 . 5.500 4.822 4.332 5.114 . 0 0 "[ . 1 . 2 ]" 1 2229 1 85 GLU HA 1 85 GLU QG . . 2.800 2.584 2.426 2.872 0.072 17 0 "[ . 1 . 2 ]" 1 2230 1 85 GLU HA 1 85 GLU QB . . 2.800 2.544 2.448 2.576 . 0 0 "[ . 1 . 2 ]" 1 2231 1 76 LEU QD 1 85 GLU HA 3.500 . 3.500 3.502 3.420 3.584 0.084 1 0 "[ . 1 . 2 ]" 1 2232 1 77 VAL QG 1 85 GLU HA 5.500 . 5.500 3.821 3.696 4.077 . 0 0 "[ . 1 . 2 ]" 1 2233 1 84 VAL QG 1 85 GLU HA 5.500 . 5.500 4.198 3.955 4.353 . 0 0 "[ . 1 . 2 ]" 1 2234 1 77 VAL H 1 85 GLU QB 3.500 . 3.500 2.589 2.460 2.900 . 0 0 "[ . 1 . 2 ]" 1 2235 1 85 GLU H 1 85 GLU QB . . 2.800 2.773 2.668 2.822 0.022 6 0 "[ . 1 . 2 ]" 1 2236 1 85 GLU QB 1 86 THR HB 5.500 . 5.500 5.457 5.271 5.529 0.029 10 0 "[ . 1 . 2 ]" 1 2237 1 84 VAL QG 1 85 GLU QB 2.800 . 2.800 2.293 2.114 2.586 . 0 0 "[ . 1 . 2 ]" 1 2238 1 84 VAL QG 1 85 GLU QB 5.500 . 5.500 3.008 2.739 3.316 . 0 0 "[ . 1 . 2 ]" 1 2239 1 77 VAL QG 1 85 GLU QB 4.500 . 4.500 2.242 2.040 2.540 . 0 0 "[ . 1 . 2 ]" 1 2240 1 85 GLU QB 1 99 LEU QD . . 2.800 2.392 2.142 2.869 0.069 17 0 "[ . 1 . 2 ]" 1 2241 1 85 GLU H 1 85 GLU QG . . 3.500 3.860 3.597 4.124 0.624 17 1 "[ . 1 . + 2 ]" 1 2242 1 85 GLU QG 1 103 HIS HD2 . . 4.500 2.713 2.214 3.624 . 0 0 "[ . 1 . 2 ]" 1 2243 1 85 GLU QG 1 99 LEU HA 5.500 . 5.500 4.379 3.954 5.365 . 0 0 "[ . 1 . 2 ]" 1 2244 1 77 VAL HB 1 85 GLU QG 3.500 . 3.500 3.411 2.625 3.680 0.180 13 0 "[ . 1 . 2 ]" 1 2245 1 84 VAL H 1 85 GLU QG 5.500 . 5.500 5.187 4.816 5.694 0.194 17 0 "[ . 1 . 2 ]" 1 2246 1 75 LEU H 1 86 THR HA 5.500 . 5.500 4.678 4.468 4.906 . 0 0 "[ . 1 . 2 ]" 1 2247 1 76 LEU H 1 86 THR HA 5.500 . 5.500 4.929 4.724 5.144 . 0 0 "[ . 1 . 2 ]" 1 2248 1 76 LEU HA 1 86 THR HA 4.500 . 4.500 2.609 2.414 2.722 . 0 0 "[ . 1 . 2 ]" 1 2249 1 86 THR HA 1 87 SER QB 5.500 . 5.500 4.322 3.984 4.555 . 0 0 "[ . 1 . 2 ]" 1 2250 1 75 LEU HG 1 86 THR HA 5.500 . 5.500 4.364 4.159 4.514 . 0 0 "[ . 1 . 2 ]" 1 2251 1 75 LEU QB 1 86 THR HA 5.500 . 5.500 4.070 3.617 4.843 . 0 0 "[ . 1 . 2 ]" 1 2252 1 86 THR HA 1 86 THR MG 2.800 . 2.800 2.179 2.133 2.257 . 0 0 "[ . 1 . 2 ]" 1 2253 1 77 VAL QG 1 86 THR HA 4.500 . 4.500 3.597 3.215 4.201 . 0 0 "[ . 1 . 2 ]" 1 2254 1 76 LEU QD 1 86 THR HB 3.500 . 3.500 3.805 3.735 3.942 0.442 1 0 "[ . 1 . 2 ]" 1 2255 1 76 LEU HA 1 86 THR HB 5.500 . 5.500 5.178 5.032 5.437 . 0 0 "[ . 1 . 2 ]" 1 2256 1 75 LEU H 1 86 THR MG 5.500 . 5.500 4.171 3.915 4.435 . 0 0 "[ . 1 . 2 ]" 1 2257 1 86 THR MG 1 87 SER H 4.500 . 4.500 2.616 2.356 3.047 . 0 0 "[ . 1 . 2 ]" 1 2258 1 86 THR MG 1 88 VAL H 5.500 . 5.500 5.308 4.645 5.553 0.053 13 0 "[ . 1 . 2 ]" 1 2259 1 76 LEU H 1 86 THR MG 5.500 . 5.500 4.929 4.746 5.283 . 0 0 "[ . 1 . 2 ]" 1 2260 1 77 VAL H 1 86 THR MG 3.500 . 3.500 3.546 3.402 3.692 0.192 1 0 "[ . 1 . 2 ]" 1 2261 1 85 GLU H 1 86 THR MG 5.500 . 5.500 5.111 4.711 5.518 0.018 17 0 "[ . 1 . 2 ]" 1 2262 1 76 LEU HA 1 86 THR MG 3.500 . 3.500 2.747 2.659 3.145 . 0 0 "[ . 1 . 2 ]" 1 2263 1 86 THR MG 1 87 SER QB 5.500 . 5.500 4.762 4.445 4.998 . 0 0 "[ . 1 . 2 ]" 1 2264 1 86 THR MG 1 88 VAL HB 5.500 . 5.500 5.357 4.587 5.602 0.102 15 0 "[ . 1 . 2 ]" 1 2265 1 75 LEU QB 1 86 THR MG 3.500 . 3.500 3.444 3.406 3.698 0.198 1 0 "[ . 1 . 2 ]" 1 2266 1 76 LEU QB 1 86 THR MG 3.500 . 3.500 3.549 3.506 3.833 0.333 1 0 "[ . 1 . 2 ]" 1 2267 1 69 VAL QG 1 86 THR MG 5.500 . 5.500 4.082 3.658 4.444 . 0 0 "[ . 1 . 2 ]" 1 2268 1 76 LEU QD 1 86 THR MG 2.800 . 2.800 1.880 1.841 1.969 . 0 0 "[ . 1 . 2 ]" 1 2269 1 76 LEU HG 1 86 THR MG 4.500 . 4.500 4.147 4.042 4.258 . 0 0 "[ . 1 . 2 ]" 1 2270 1 87 SER HA 1 87 SER QB 2.800 . 2.800 2.400 2.174 2.523 . 0 0 "[ . 1 . 2 ]" 1 2271 1 75 LEU QB 1 87 SER QB 5.500 . 5.500 2.352 2.024 3.769 . 0 0 "[ . 1 . 2 ]" 1 2272 1 75 LEU QB 1 87 SER QB 5.500 . 5.500 2.373 2.029 3.875 . 0 0 "[ . 1 . 2 ]" 1 2273 1 75 LEU QD 1 87 SER QB 4.500 . 4.500 2.766 2.268 4.018 . 0 0 "[ . 1 . 2 ]" 1 2274 1 77 VAL QG 1 87 SER QB 5.500 . 5.500 4.389 3.785 5.223 . 0 0 "[ . 1 . 2 ]" 1 2275 1 17 GLU QB 1 75 LEU H 5.500 . 5.500 5.074 3.976 5.417 . 0 0 "[ . 1 . 2 ]" 1 2276 1 75 LEU H 1 88 VAL QG 4.500 . 4.500 3.721 3.085 4.562 0.062 20 0 "[ . 1 . 2 ]" 1 2277 1 87 SER H 1 88 VAL QG 5.500 . 5.500 3.779 3.226 4.704 . 0 0 "[ . 1 . 2 ]" 1 2278 1 71 SER H 1 88 VAL QG 5.500 . 5.500 4.097 3.497 4.380 . 0 0 "[ . 1 . 2 ]" 1 2279 1 73 PRO QB 1 88 VAL QG 5.500 . 5.500 5.356 4.745 5.681 0.181 1 0 "[ . 1 . 2 ]" 1 2280 1 87 SER H 1 88 VAL QG 5.500 . 5.500 3.711 3.215 4.502 . 0 0 "[ . 1 . 2 ]" 1 2281 1 73 PRO QD 1 88 VAL QG 5.500 . 5.500 4.344 3.386 5.496 . 0 0 "[ . 1 . 2 ]" 1 2282 1 89 GLY QA 1 90 PHE QB 5.500 . 5.500 3.802 3.671 3.988 . 0 0 "[ . 1 . 2 ]" 1 2283 1 73 PRO QG 1 89 GLY QA 5.500 . 5.500 3.188 2.880 4.109 . 0 0 "[ . 1 . 2 ]" 1 2284 1 90 PHE HA 1 91 LYS HA 5.500 . 5.500 4.542 4.498 4.606 . 0 0 "[ . 1 . 2 ]" 1 2285 1 90 PHE HA 1 96 LEU QD 5.500 . 5.500 4.625 4.328 5.163 . 0 0 "[ . 1 . 2 ]" 1 2286 1 73 PRO QG 1 90 PHE HA 5.500 . 5.500 2.411 2.182 2.677 . 0 0 "[ . 1 . 2 ]" 1 2287 1 90 PHE HA 1 91 LYS QB 5.500 . 5.500 4.164 3.957 4.523 . 0 0 "[ . 1 . 2 ]" 1 2288 1 6 ALA MB 1 11 PHE QB 5.500 . 5.500 2.070 1.974 2.452 . 0 0 "[ . 1 . 2 ]" 1 2289 1 91 LYS HA 1 91 LYS QE 5.500 . 5.500 4.364 3.956 5.026 . 0 0 "[ . 1 . 2 ]" 1 2290 1 91 LYS HA 1 92 PRO QB 5.500 . 5.500 4.687 4.546 4.728 . 0 0 "[ . 1 . 2 ]" 1 2291 1 91 LYS HA 1 92 PRO QG 4.500 . 4.500 4.064 3.990 4.128 . 0 0 "[ . 1 . 2 ]" 1 2292 1 91 LYS HA 1 95 ALA MB 3.500 . 3.500 3.379 2.993 3.597 0.097 16 0 "[ . 1 . 2 ]" 1 2293 1 35 ILE MD 1 91 LYS HA 5.500 . 5.500 4.067 4.005 4.166 . 0 0 "[ . 1 . 2 ]" 1 2294 1 91 LYS HA 1 96 LEU QD 5.500 . 5.500 4.453 4.202 5.143 . 0 0 "[ . 1 . 2 ]" 1 2295 1 91 LYS QB 1 91 LYS QE . . 2.800 2.287 1.906 2.812 0.012 10 0 "[ . 1 . 2 ]" 1 2296 1 91 LYS QB 1 96 LEU QD 4.500 . 4.500 2.295 1.963 4.145 . 0 0 "[ . 1 . 2 ]" 1 2297 1 91 LYS QG 1 99 LEU H 5.500 . 5.500 5.174 4.814 5.580 0.080 12 0 "[ . 1 . 2 ]" 1 2298 1 91 LYS QE 1 91 LYS QG 3.500 . 3.500 2.380 2.168 2.910 . 0 0 "[ . 1 . 2 ]" 1 2299 1 51 LYS QE 1 51 LYS QG 2.800 . 2.800 1.950 1.867 2.075 . 0 0 "[ . 1 . 2 ]" 1 2300 1 91 LYS QE 1 99 LEU H 5.500 . 5.500 5.459 5.052 5.626 0.126 5 0 "[ . 1 . 2 ]" 1 2301 1 75 LEU QD 1 91 LYS QE 3.500 . 3.500 2.753 1.907 3.335 . 0 0 "[ . 1 . 2 ]" 1 2302 1 91 LYS QE 1 96 LEU QD 4.500 . 4.500 3.017 1.976 3.908 . 0 0 "[ . 1 . 2 ]" 1 2303 1 91 LYS QB 1 92 PRO HA 5.500 . 5.500 4.560 4.366 4.969 . 0 0 "[ . 1 . 2 ]" 1 2304 1 92 PRO HA 1 96 LEU QD 5.500 . 5.500 4.730 4.166 5.314 . 0 0 "[ . 1 . 2 ]" 1 2305 1 93 LYS HA 1 95 ALA H 5.500 . 5.500 4.654 4.432 4.860 . 0 0 "[ . 1 . 2 ]" 1 2306 1 92 PRO HA 1 93 LYS HA 5.500 . 5.500 4.286 4.181 4.406 . 0 0 "[ . 1 . 2 ]" 1 2307 1 42 LEU QB 1 93 LYS HA 4.500 . 4.500 4.052 3.615 4.237 . 0 0 "[ . 1 . 2 ]" 1 2308 1 38 VAL QG 1 93 LYS HA 3.500 . 3.500 1.966 1.857 2.094 . 0 0 "[ . 1 . 2 ]" 1 2309 1 39 LEU QD 1 93 LYS HA 4.500 . 4.500 3.694 2.840 4.129 . 0 0 "[ . 1 . 2 ]" 1 2310 1 93 LYS QG 1 94 GLU H 5.500 . 5.500 3.769 2.924 4.660 . 0 0 "[ . 1 . 2 ]" 1 2311 1 93 LYS H 1 93 LYS QG 4.500 . 4.500 3.737 3.484 3.925 . 0 0 "[ . 1 . 2 ]" 1 2312 1 93 LYS QD 1 94 GLU H 5.500 . 5.500 4.492 4.230 4.718 . 0 0 "[ . 1 . 2 ]" 1 2313 1 35 ILE QG 1 36 ALA H 5.500 . 5.500 3.827 2.865 4.081 . 0 0 "[ . 1 . 2 ]" 1 2314 1 42 LEU H 1 93 LYS QD 5.500 . 5.500 3.203 2.911 3.492 . 0 0 "[ . 1 . 2 ]" 1 2315 1 93 LYS H 1 94 GLU HA 5.500 . 5.500 5.533 5.382 5.591 0.091 1 0 "[ . 1 . 2 ]" 1 2316 1 94 GLU HA 1 98 GLU H 5.500 . 5.500 3.923 3.870 4.086 . 0 0 "[ . 1 . 2 ]" 1 2317 1 94 GLU HA 1 97 GLN HA 5.500 . 5.500 5.571 5.526 5.648 0.148 1 0 "[ . 1 . 2 ]" 1 2318 1 94 GLU HA 1 94 GLU QG 2.800 . 2.800 2.398 2.352 2.508 . 0 0 "[ . 1 . 2 ]" 1 2319 1 94 GLU HA 1 94 GLU QG 2.800 . 2.800 2.101 2.000 2.183 . 0 0 "[ . 1 . 2 ]" 1 2320 1 93 LYS QB 1 94 GLU HA 4.500 . 4.500 3.937 3.660 4.227 . 0 0 "[ . 1 . 2 ]" 1 2321 1 93 LYS QD 1 94 GLU HA 4.500 . 4.500 4.323 3.928 4.570 0.070 8 0 "[ . 1 . 2 ]" 1 2322 1 38 VAL QG 1 94 GLU HA 5.500 . 5.500 4.043 3.129 5.010 . 0 0 "[ . 1 . 2 ]" 1 2323 1 42 LEU QD 1 94 GLU HA 5.500 . 5.500 4.749 4.204 4.970 . 0 0 "[ . 1 . 2 ]" 1 2324 1 37 PRO QG 1 93 LYS H 5.500 . 5.500 4.993 4.674 5.122 . 0 0 "[ . 1 . 2 ]" 1 2325 1 93 LYS H 1 94 GLU QG 5.500 . 5.500 4.791 4.602 5.584 0.084 17 0 "[ . 1 . 2 ]" 1 2326 1 94 GLU QG 1 95 ALA MB 5.500 . 5.500 5.394 5.329 5.527 0.027 17 0 "[ . 1 . 2 ]" 1 2327 1 95 ALA HA 1 96 LEU HA 4.500 . 4.500 4.461 4.371 4.529 0.029 17 0 "[ . 1 . 2 ]" 1 2328 1 92 PRO QD 1 95 ALA HA 5.500 . 5.500 4.898 4.760 5.041 . 0 0 "[ . 1 . 2 ]" 1 2329 1 95 ALA HA 1 98 GLU QG 4.500 . 4.500 4.386 4.201 4.533 0.033 1 0 "[ . 1 . 2 ]" 1 2330 1 95 ALA HA 1 97 GLN QG 4.500 . 4.500 4.095 3.957 4.184 . 0 0 "[ . 1 . 2 ]" 1 2331 1 95 ALA HA 1 98 GLU QB 2.800 . 2.800 2.435 2.223 2.561 . 0 0 "[ . 1 . 2 ]" 1 2332 1 95 ALA HA 1 96 LEU QB 5.500 . 5.500 4.332 4.128 4.474 . 0 0 "[ . 1 . 2 ]" 1 2333 1 92 PRO QG 1 95 ALA HA 5.500 . 5.500 4.450 4.338 4.531 . 0 0 "[ . 1 . 2 ]" 1 2334 1 91 LYS QB 1 95 ALA HA 5.500 . 5.500 4.798 4.502 5.149 . 0 0 "[ . 1 . 2 ]" 1 2335 1 91 LYS QG 1 95 ALA HA 5.500 . 5.500 4.255 3.988 4.699 . 0 0 "[ . 1 . 2 ]" 1 2336 1 95 ALA HA 1 99 LEU QD 5.500 . 5.500 5.531 5.490 5.719 0.219 1 0 "[ . 1 . 2 ]" 1 2337 1 95 ALA HA 1 96 LEU QD 5.500 . 5.500 5.509 5.388 5.768 0.268 1 0 "[ . 1 . 2 ]" 1 2338 1 95 ALA MB 1 96 LEU QD 3.500 . 3.500 3.989 3.933 4.477 0.977 1 3 "[+ . 1* . - 2 ]" 1 2339 1 91 LYS QB 1 95 ALA MB 2.800 . 2.800 2.378 1.968 2.778 . 0 0 "[ . 1 . 2 ]" 1 2340 1 91 LYS QG 1 95 ALA MB 2.800 . 2.800 2.076 1.906 2.426 . 0 0 "[ . 1 . 2 ]" 1 2341 1 94 GLU QB 1 95 ALA MB 4.500 . 4.500 3.389 3.254 3.479 . 0 0 "[ . 1 . 2 ]" 1 2342 1 95 ALA MB 1 98 GLU QB 4.500 . 4.500 3.827 3.589 3.981 . 0 0 "[ . 1 . 2 ]" 1 2343 1 92 PRO QB 1 95 ALA MB 4.500 . 4.500 3.842 3.750 3.915 . 0 0 "[ . 1 . 2 ]" 1 2344 1 91 LYS QE 1 95 ALA MB 5.500 . 5.500 4.069 3.709 4.434 . 0 0 "[ . 1 . 2 ]" 1 2345 1 95 ALA MB 1 96 LEU HA 5.500 . 5.500 3.912 3.658 4.040 . 0 0 "[ . 1 . 2 ]" 1 2346 1 91 LYS H 1 95 ALA MB 5.500 . 5.500 5.152 4.833 5.386 . 0 0 "[ . 1 . 2 ]" 1 2347 1 95 ALA MB 1 99 LEU H 5.500 . 5.500 4.484 4.360 4.588 . 0 0 "[ . 1 . 2 ]" 1 2348 1 95 ALA MB 1 96 LEU H 5.500 . 5.500 2.627 2.425 2.725 . 0 0 "[ . 1 . 2 ]" 1 2349 1 95 ALA MB 1 97 GLN H 5.500 . 5.500 4.729 4.622 4.785 . 0 0 "[ . 1 . 2 ]" 1 2350 1 94 GLU HA 1 95 ALA MB 5.500 . 5.500 5.049 5.008 5.071 . 0 0 "[ . 1 . 2 ]" 1 2351 1 96 LEU HA 1 100 VAL H 5.500 . 5.500 4.456 4.320 4.607 . 0 0 "[ . 1 . 2 ]" 1 2352 1 95 ALA H 1 96 LEU HA 5.500 . 5.500 5.206 5.133 5.251 . 0 0 "[ . 1 . 2 ]" 1 2353 1 95 ALA HA 1 96 LEU HA 5.500 . 5.500 4.810 4.702 4.907 . 0 0 "[ . 1 . 2 ]" 1 2354 1 96 LEU HA 1 97 GLN QB 5.500 . 5.500 4.427 4.314 4.495 . 0 0 "[ . 1 . 2 ]" 1 2355 1 35 ILE QG 1 96 LEU HA 5.500 . 5.500 4.651 4.113 5.079 . 0 0 "[ . 1 . 2 ]" 1 2356 1 96 LEU HA 1 96 LEU HG 4.500 . 4.500 3.117 2.311 3.699 . 0 0 "[ . 1 . 2 ]" 1 2357 1 38 VAL QG 1 96 LEU HA 4.500 . 4.500 3.380 3.130 3.952 . 0 0 "[ . 1 . 2 ]" 1 2358 1 21 LEU QD 1 96 LEU HA 4.500 . 4.500 3.009 2.836 3.292 . 0 0 "[ . 1 . 2 ]" 1 2359 1 96 LEU HA 1 96 LEU QD 2.800 . 2.800 2.065 1.972 2.395 . 0 0 "[ . 1 . 2 ]" 1 2360 1 96 LEU QB 1 96 LEU QD 2.800 . 2.800 1.998 1.896 2.073 . 0 0 "[ . 1 . 2 ]" 1 2361 1 38 VAL QG 1 96 LEU HG 5.500 . 5.500 3.223 2.186 4.206 . 0 0 "[ . 1 . 2 ]" 1 2362 1 35 ILE HA 1 96 LEU QD 5.500 . 5.500 3.646 3.419 3.921 . 0 0 "[ . 1 . 2 ]" 1 2363 1 39 LEU HA 1 96 LEU QD 5.500 . 5.500 3.479 2.408 4.134 . 0 0 "[ . 1 . 2 ]" 1 2364 1 93 LYS HA 1 96 LEU QD 5.500 . 5.500 3.778 2.848 4.256 . 0 0 "[ . 1 . 2 ]" 1 2365 1 35 ILE HB 1 96 LEU QD 5.500 . 5.500 3.431 3.157 3.689 . 0 0 "[ . 1 . 2 ]" 1 2366 1 38 VAL QG 1 96 LEU QD 3.500 . 3.500 2.103 1.732 2.441 0.068 17 0 "[ . 1 . 2 ]" 1 2367 1 35 ILE MD 1 96 LEU QD . . 2.800 1.680 1.606 1.767 0.194 5 0 "[ . 1 . 2 ]" 1 2368 1 96 LEU QD 1 99 LEU H 5.500 . 5.500 4.542 4.115 5.249 . 0 0 "[ . 1 . 2 ]" 1 2369 1 21 LEU QD 1 96 LEU QD 2.800 . 2.800 1.686 1.588 1.795 0.212 3 0 "[ . 1 . 2 ]" 1 2370 1 96 LEU H 1 97 GLN HA 5.500 . 5.500 5.324 5.272 5.361 . 0 0 "[ . 1 . 2 ]" 1 2371 1 97 GLN HA 1 97 GLN QE 3.500 . 3.500 3.420 3.395 3.454 . 0 0 "[ . 1 . 2 ]" 1 2372 1 97 GLN HA 1 97 GLN QB 2.800 . 2.800 2.093 2.065 2.111 . 0 0 "[ . 1 . 2 ]" 1 2373 1 96 LEU QB 1 97 GLN HA 5.500 . 5.500 3.801 3.602 4.236 . 0 0 "[ . 1 . 2 ]" 1 2374 1 93 LYS QD 1 97 GLN HA 5.500 . 5.500 5.088 4.848 5.501 0.001 11 0 "[ . 1 . 2 ]" 1 2375 1 97 GLN HA 1 100 VAL QG 2.800 . 2.800 2.269 2.121 2.456 . 0 0 "[ . 1 . 2 ]" 1 2376 1 42 LEU QD 1 97 GLN QB 2.800 . 2.800 1.850 1.777 1.960 0.023 17 0 "[ . 1 . 2 ]" 1 2377 1 97 GLN QG 1 100 VAL QG 5.500 . 5.500 4.461 4.332 4.641 . 0 0 "[ . 1 . 2 ]" 1 2378 1 38 VAL QG 1 97 GLN QG 5.500 . 5.500 4.884 4.204 5.554 0.054 17 0 "[ . 1 . 2 ]" 1 2379 1 42 LEU QB 1 97 GLN QG 5.500 . 5.500 5.391 4.645 5.615 0.115 1 0 "[ . 1 . 2 ]" 1 2380 1 93 LYS QD 1 97 GLN QG 5.500 . 5.500 4.587 4.126 4.914 . 0 0 "[ . 1 . 2 ]" 1 2381 1 93 LYS QB 1 97 GLN QG . . 4.500 4.487 4.335 4.924 0.424 1 0 "[ . 1 . 2 ]" 1 2382 1 97 GLN HA 1 97 GLN QG 3.500 . 3.500 3.328 3.286 3.381 . 0 0 "[ . 1 . 2 ]" 1 2383 1 94 GLU HA 1 97 GLN QG 3.500 . 3.500 2.330 2.144 2.590 . 0 0 "[ . 1 . 2 ]" 1 2384 1 97 GLN QE 1 97 GLN QG . . 2.800 2.512 2.383 2.626 . 0 0 "[ . 1 . 2 ]" 1 2385 1 96 LEU H 1 97 GLN QG 5.500 . 5.500 4.809 4.554 4.991 . 0 0 "[ . 1 . 2 ]" 1 2386 1 97 GLN QG 1 100 VAL H 5.500 . 5.500 5.420 5.309 5.498 . 0 0 "[ . 1 . 2 ]" 1 2387 1 94 GLU H 1 97 GLN QG 5.500 . 5.500 4.924 4.703 5.163 . 0 0 "[ . 1 . 2 ]" 1 2388 1 95 ALA HA 1 97 GLN QG 5.500 . 5.500 4.910 4.832 4.983 . 0 0 "[ . 1 . 2 ]" 1 2389 1 97 GLN QG 1 98 GLU HA 3.500 . 3.500 3.437 3.333 3.511 0.011 9 0 "[ . 1 . 2 ]" 1 2390 1 98 GLU HA 1 99 LEU H 3.500 . 3.500 3.585 3.555 3.613 0.113 5 0 "[ . 1 . 2 ]" 1 2391 1 98 GLU HA 1 101 ASN HA 5.500 . 5.500 5.258 5.106 5.528 0.028 11 0 "[ . 1 . 2 ]" 1 2392 1 95 ALA HA 1 98 GLU HA 5.500 . 5.500 5.287 5.045 5.432 . 0 0 "[ . 1 . 2 ]" 1 2393 1 98 GLU HA 1 101 ASN QB . . 3.500 2.407 2.238 3.439 . 0 0 "[ . 1 . 2 ]" 1 2394 1 98 GLU HA 1 98 GLU QB 2.800 . 2.800 2.332 2.309 2.360 . 0 0 "[ . 1 . 2 ]" 1 2395 1 98 GLU HA 1 99 LEU QB 5.500 . 5.500 5.192 5.132 5.228 . 0 0 "[ . 1 . 2 ]" 1 2396 1 98 GLU HA 1 99 LEU HG 5.500 . 5.500 4.562 4.266 5.331 . 0 0 "[ . 1 . 2 ]" 1 2397 1 98 GLU HA 1 100 VAL H 4.500 . 4.500 4.424 4.144 4.516 0.016 7 0 "[ . 1 . 2 ]" 1 2398 1 97 GLN H 1 98 GLU QB 4.500 . 4.500 4.432 4.395 4.474 . 0 0 "[ . 1 . 2 ]" 1 2399 1 98 GLU H 1 98 GLU QB 2.800 . 2.800 2.225 2.185 2.256 . 0 0 "[ . 1 . 2 ]" 1 2400 1 97 GLN HA 1 98 GLU QB 5.500 . 5.500 5.200 5.171 5.249 . 0 0 "[ . 1 . 2 ]" 1 2401 1 98 GLU QB 1 99 LEU QB 4.500 . 4.500 3.976 3.819 4.062 . 0 0 "[ . 1 . 2 ]" 1 2402 1 98 GLU QB 1 99 LEU QD 5.500 . 5.500 4.876 4.767 4.975 . 0 0 "[ . 1 . 2 ]" 1 2403 1 99 LEU HA 1 99 LEU QB 2.800 . 2.800 2.351 2.287 2.415 . 0 0 "[ . 1 . 2 ]" 1 2404 1 99 LEU HA 1 99 LEU HG 2.800 . 2.800 2.359 2.052 2.721 . 0 0 "[ . 1 . 2 ]" 1 2405 1 98 GLU QB 1 99 LEU HA 4.500 . 4.500 4.082 4.005 4.151 . 0 0 "[ . 1 . 2 ]" 1 2406 1 99 LEU QB 1 100 VAL H 3.500 . 3.500 2.644 2.470 2.831 . 0 0 "[ . 1 . 2 ]" 1 2407 1 98 GLU H 1 99 LEU QB 5.500 . 5.500 4.308 4.216 4.396 . 0 0 "[ . 1 . 2 ]" 1 2408 1 99 LEU H 1 99 LEU QB 2.800 . 2.800 2.184 2.124 2.225 . 0 0 "[ . 1 . 2 ]" 1 2409 1 75 LEU QB 1 89 GLY H 5.500 . 5.500 4.832 4.153 5.517 0.017 17 0 "[ . 1 . 2 ]" 1 2410 1 99 LEU H 1 99 LEU HG 4.500 . 4.500 4.452 4.318 4.504 0.004 16 0 "[ . 1 . 2 ]" 1 2411 1 99 LEU HA 1 99 LEU HG 4.500 . 4.500 3.283 2.686 3.755 . 0 0 "[ . 1 . 2 ]" 1 2412 1 77 VAL QG 1 99 LEU HG 5.500 . 5.500 2.627 2.173 4.393 . 0 0 "[ . 1 . 2 ]" 1 2413 1 87 SER H 1 99 LEU QD 5.500 . 5.500 4.264 3.893 4.763 . 0 0 "[ . 1 . 2 ]" 1 2414 1 86 THR H 1 99 LEU QD 5.500 . 5.500 3.577 3.026 4.437 . 0 0 "[ . 1 . 2 ]" 1 2415 1 99 LEU QD 1 103 HIS HD2 5.500 . 5.500 3.926 3.470 4.527 . 0 0 "[ . 1 . 2 ]" 1 2416 1 99 LEU H 1 99 LEU QD 4.500 . 4.500 3.615 3.543 3.653 . 0 0 "[ . 1 . 2 ]" 1 2417 1 86 THR HA 1 99 LEU QD 5.500 . 5.500 4.343 3.774 4.829 . 0 0 "[ . 1 . 2 ]" 1 2418 1 85 GLU HA 1 99 LEU QD 5.500 . 5.500 4.333 3.988 4.861 . 0 0 "[ . 1 . 2 ]" 1 2419 1 87 SER QB 1 99 LEU QD . . 4.500 2.730 2.167 3.648 . 0 0 "[ . 1 . 2 ]" 1 2420 1 91 LYS QE 1 99 LEU QD 5.500 . 5.500 1.960 1.764 2.822 0.036 11 0 "[ . 1 . 2 ]" 1 2421 1 98 GLU QB 1 99 LEU QD 4.500 . 4.500 3.892 3.211 4.219 . 0 0 "[ . 1 . 2 ]" 1 2422 1 75 LEU QB 1 99 LEU QD 3.500 . 3.500 3.186 2.625 3.534 0.034 5 0 "[ . 1 . 2 ]" 1 2423 1 77 VAL QG 1 99 LEU QD 2.800 . 2.800 2.400 1.971 2.781 . 0 0 "[ . 1 . 2 ]" 1 2424 1 100 VAL HA 1 103 HIS HD2 5.500 . 5.500 3.338 3.214 3.498 . 0 0 "[ . 1 . 2 ]" 1 2425 1 99 LEU H 1 100 VAL HA 5.500 . 5.500 3.952 3.827 4.104 . 0 0 "[ . 1 . 2 ]" 1 2426 1 100 VAL HA 1 100 VAL HB 2.800 . 2.800 2.346 2.293 2.414 . 0 0 "[ . 1 . 2 ]" 1 2427 1 99 LEU QB 1 100 VAL HA 5.500 . 5.500 4.369 4.107 4.561 . 0 0 "[ . 1 . 2 ]" 1 2428 1 77 VAL HB 1 100 VAL HA 5.500 . 5.500 3.435 3.280 3.827 . 0 0 "[ . 1 . 2 ]" 1 2429 1 100 VAL HA 1 100 VAL QG 2.800 . 2.800 2.251 2.197 2.316 . 0 0 "[ . 1 . 2 ]" 1 2430 1 21 LEU QD 1 100 VAL HA 3.500 . 3.500 3.499 3.020 3.642 0.142 18 0 "[ . 1 . 2 ]" 1 2431 1 19 VAL QG 1 100 VAL HB 4.500 . 4.500 3.442 3.342 3.767 . 0 0 "[ . 1 . 2 ]" 1 2432 1 21 LEU QB 1 100 VAL HB 5.500 . 5.500 3.381 2.966 3.846 . 0 0 "[ . 1 . 2 ]" 1 2433 1 97 GLN HA 1 100 VAL HB 5.500 . 5.500 4.794 4.513 5.015 . 0 0 "[ . 1 . 2 ]" 1 2434 1 100 VAL HB 1 103 HIS HD2 5.500 . 5.500 5.584 5.542 5.826 0.326 1 0 "[ . 1 . 2 ]" 1 2435 1 100 VAL H 1 100 VAL HB 3.500 . 3.500 2.786 2.652 2.927 . 0 0 "[ . 1 . 2 ]" 1 2436 1 42 LEU QB 1 100 VAL HB 4.500 . 4.500 4.491 4.229 4.680 0.180 1 0 "[ . 1 . 2 ]" 1 2437 1 21 LEU H 1 100 VAL QG 5.500 . 5.500 3.919 3.459 4.290 . 0 0 "[ . 1 . 2 ]" 1 2438 1 97 GLN QE 1 100 VAL QG 5.500 . 5.500 3.852 3.770 3.954 . 0 0 "[ . 1 . 2 ]" 1 2439 1 99 LEU H 1 100 VAL QG . . 4.500 3.714 3.646 3.789 . 0 0 "[ . 1 . 2 ]" 1 2440 1 100 VAL QG 1 104 LEU H 5.500 . 5.500 3.536 3.415 3.732 . 0 0 "[ . 1 . 2 ]" 1 2441 1 100 VAL QG 1 101 ASN HA 5.500 . 5.500 3.299 3.189 3.422 . 0 0 "[ . 1 . 2 ]" 1 2442 1 43 ASP HA 1 100 VAL QG 5.500 . 5.500 3.994 3.790 4.161 . 0 0 "[ . 1 . 2 ]" 1 2443 1 96 LEU HA 1 100 VAL QG 5.500 . 5.500 4.532 4.447 4.667 . 0 0 "[ . 1 . 2 ]" 1 2444 1 21 LEU QB 1 100 VAL QG 5.500 . 5.500 2.341 2.173 2.569 . 0 0 "[ . 1 . 2 ]" 1 2445 1 52 ILE QG 1 100 VAL QG 3.500 . 3.500 2.254 2.108 2.356 . 0 0 "[ . 1 . 2 ]" 1 2446 1 50 LEU HG 1 100 VAL QG 5.500 . 5.500 3.621 2.325 3.979 . 0 0 "[ . 1 . 2 ]" 1 2447 1 21 LEU HG 1 100 VAL QG 4.500 . 4.500 4.196 3.178 4.550 0.050 1 0 "[ . 1 . 2 ]" 1 2448 1 21 LEU QB 1 100 VAL QG 2.800 . 2.800 2.300 2.150 2.475 . 0 0 "[ . 1 . 2 ]" 1 2449 1 21 LEU QD 1 100 VAL QG 2.800 . 2.800 2.073 1.971 2.221 . 0 0 "[ . 1 . 2 ]" 1 2450 1 97 GLN H 1 100 VAL QG 5.500 . 5.500 4.352 4.258 4.513 . 0 0 "[ . 1 . 2 ]" 1 2451 1 21 LEU HA 1 100 VAL QG 5.500 . 5.500 3.765 3.517 4.135 . 0 0 "[ . 1 . 2 ]" 1 2452 1 98 GLU HA 1 100 VAL QG 4.500 . 4.500 4.280 4.214 4.383 . 0 0 "[ . 1 . 2 ]" 1 2453 1 100 VAL QG 1 101 ASN QB 5.500 . 5.500 3.343 3.288 3.420 . 0 0 "[ . 1 . 2 ]" 1 2454 1 42 LEU HG 1 100 VAL QG 4.500 . 4.500 4.062 3.731 4.417 . 0 0 "[ . 1 . 2 ]" 1 2455 1 100 VAL QG 1 104 LEU HG 4.500 . 4.500 4.214 2.893 4.679 0.179 1 0 "[ . 1 . 2 ]" 1 2456 1 21 LEU QD 1 100 VAL QG 3.500 . 3.500 1.684 1.637 1.786 0.163 18 0 "[ . 1 . 2 ]" 1 2457 1 101 ASN HA 1 101 ASN QD 4.500 . 4.500 3.788 3.739 3.940 . 0 0 "[ . 1 . 2 ]" 1 2458 1 101 ASN HA 1 104 LEU HA 5.500 . 5.500 4.929 4.845 5.064 . 0 0 "[ . 1 . 2 ]" 1 2459 1 100 VAL HA 1 101 ASN HA 5.500 . 5.500 4.899 4.846 4.967 . 0 0 "[ . 1 . 2 ]" 1 2460 1 101 ASN HA 1 101 ASN QB 2.800 . 2.800 2.301 2.069 2.350 . 0 0 "[ . 1 . 2 ]" 1 2461 1 101 ASN HA 1 104 LEU HG 3.500 . 3.500 3.639 3.521 4.168 0.668 1 1 "[+ . 1 . 2 ]" 1 2462 1 101 ASN HA 1 104 LEU QD 2.800 . 2.800 2.522 2.260 2.839 0.039 11 0 "[ . 1 . 2 ]" 1 2463 1 100 VAL H 1 101 ASN QB 5.500 . 5.500 4.217 4.076 4.487 . 0 0 "[ . 1 . 2 ]" 1 2464 1 101 ASN QB 1 104 LEU H 5.500 . 5.500 4.887 4.801 5.011 . 0 0 "[ . 1 . 2 ]" 1 2465 1 46 MET ME 1 101 ASN QB 4.500 . 4.500 2.804 2.642 2.964 . 0 0 "[ . 1 . 2 ]" 1 2466 1 99 LEU QB 1 101 ASN QB 5.500 . 5.500 4.738 4.348 5.073 . 0 0 "[ . 1 . 2 ]" 1 2467 1 101 ASN QB 1 102 LYS QD 5.500 . 5.500 3.760 3.468 3.836 . 0 0 "[ . 1 . 2 ]" 1 2468 1 101 ASN QB 1 104 LEU QD 3.500 . 3.500 3.380 3.198 3.698 0.198 1 0 "[ . 1 . 2 ]" 1 2469 1 102 LYS QB 1 103 HIS HD2 5.500 . 5.500 3.486 2.212 4.708 . 0 0 "[ . 1 . 2 ]" 1 2470 1 99 LEU HA 1 102 LYS QB 2.800 . 2.800 2.317 2.157 2.473 . 0 0 "[ . 1 . 2 ]" 1 2471 1 102 LYS QB 1 102 LYS QE . . 3.500 2.761 1.964 3.595 0.095 11 0 "[ . 1 . 2 ]" 1 2472 1 102 LYS QG 1 103 HIS HD2 5.500 . 5.500 3.838 2.344 5.074 . 0 0 "[ . 1 . 2 ]" 1 2473 1 102 LYS QE 1 102 LYS QG . . 2.800 2.574 2.096 3.040 0.240 1 0 "[ . 1 . 2 ]" 1 2474 1 100 VAL H 1 102 LYS QE 5.500 . 5.500 5.128 4.682 5.659 0.159 9 0 "[ . 1 . 2 ]" 1 2475 1 102 LYS QE 1 103 HIS HD2 5.500 . 5.500 3.561 2.947 5.552 0.052 5 0 "[ . 1 . 2 ]" 1 2476 1 99 LEU H 1 102 LYS QE 5.500 . 5.500 3.815 3.357 4.071 . 0 0 "[ . 1 . 2 ]" 1 2477 1 99 LEU HA 1 102 LYS QE 4.500 . 4.500 2.446 2.094 2.912 . 0 0 "[ . 1 . 2 ]" 1 2478 1 98 GLU QB 1 102 LYS QE 5.500 . 5.500 5.158 3.784 5.556 0.056 19 0 "[ . 1 . 2 ]" 1 2479 1 99 LEU QD 1 102 LYS QE . . 3.500 2.330 1.964 3.504 0.004 5 0 "[ . 1 . 2 ]" 1 2480 1 19 VAL HB 1 104 LEU HA 3.500 . 3.500 2.967 2.852 3.530 0.030 9 0 "[ . 1 . 2 ]" 1 2481 1 79 LYS QB 1 104 LEU HA 3.500 . 3.500 3.398 3.231 3.640 0.140 13 0 "[ . 1 . 2 ]" 1 2482 1 104 LEU HA 1 104 LEU QB 2.800 . 2.800 2.273 2.215 2.343 . 0 0 "[ . 1 . 2 ]" 1 2483 1 104 LEU HA 1 104 LEU QD 2.800 . 2.800 2.285 2.195 2.353 . 0 0 "[ . 1 . 2 ]" 1 2484 1 101 ASN HA 1 104 LEU QB 5.500 . 5.500 1.990 1.925 2.126 . 0 0 "[ . 1 . 2 ]" 1 2485 1 46 MET ME 1 104 LEU QB 5.500 . 5.500 3.527 3.205 3.628 . 0 0 "[ . 1 . 2 ]" 1 2486 1 104 LEU QB 1 104 LEU QD 2.800 . 2.800 1.968 1.922 2.064 . 0 0 "[ . 1 . 2 ]" 1 2487 1 104 LEU QB 1 104 LEU HG 2.800 . 2.800 2.263 2.056 2.352 . 0 0 "[ . 1 . 2 ]" 1 2488 1 49 LYS QE 1 104 LEU QD 5.500 . 5.500 3.650 3.256 4.042 . 0 0 "[ . 1 . 2 ]" 1 2489 1 19 VAL HB 1 104 LEU QD 2.800 . 2.800 1.859 1.772 2.052 0.028 17 0 "[ . 1 . 2 ]" 1 2490 1 19 VAL H 1 104 LEU QD 5.500 . 5.500 3.918 3.644 4.119 . 0 0 "[ . 1 . 2 ]" 1 2491 1 49 LYS H 1 104 LEU QD 5.500 . 5.500 4.069 3.901 4.227 . 0 0 "[ . 1 . 2 ]" 1 2492 1 19 VAL HA 1 104 LEU QD 5.500 . 5.500 4.696 4.538 4.790 . 0 0 "[ . 1 . 2 ]" 1 2493 1 50 LEU HA 1 50 LEU QD 2.800 . 2.800 2.164 2.065 2.325 . 0 0 "[ . 1 . 2 ]" 1 2494 1 50 LEU QD 1 101 ASN QB 5.500 . 5.500 3.269 3.112 3.513 . 0 0 "[ . 1 . 2 ]" 1 2495 1 19 VAL QG 1 104 LEU QD 2.800 . 2.800 2.281 2.150 2.480 . 0 0 "[ . 1 . 2 ]" 1 2496 1 70 MET H 1 70 MET ME 5.500 . 5.500 4.760 4.085 5.215 . 0 0 "[ . 1 . 2 ]" 1 2497 1 70 MET HA 1 70 MET ME 4.500 . 4.500 4.146 3.535 4.533 0.033 1 0 "[ . 1 . 2 ]" 1 2498 1 70 MET ME 1 71 SER QB 5.500 . 5.500 4.592 3.616 5.538 0.038 21 0 "[ . 1 . 2 ]" 1 2499 1 33 LYS QB 1 34 MET ME 4.500 . 4.500 5.061 5.025 5.123 0.623 1 21 [+**************-*****] 1 2500 2 47 ASN H 2 47 ASN QB 2.800 . 2.800 2.226 2.075 2.469 . 0 0 "[ . 1 . 2 ]" 1 2501 2 62 GLN QB 2 63 THR H 2.800 . 2.800 2.509 2.126 2.840 0.040 20 0 "[ . 1 . 2 ]" 1 2502 2 3 ASN H 2 4 LYS H 3.500 . 3.500 3.588 3.529 3.661 0.161 19 0 "[ . 1 . 2 ]" 1 2503 2 3 ASN H 2 3 ASN QD . . 4.500 3.706 2.898 4.549 0.049 14 0 "[ . 1 . 2 ]" 1 2504 2 3 ASN H 2 3 ASN HA 2.800 . 2.800 2.350 2.093 2.783 . 0 0 "[ . 1 . 2 ]" 1 2505 2 3 ASN H 2 4 LYS HA 5.500 . 5.500 5.172 4.412 5.634 0.134 21 0 "[ . 1 . 2 ]" 1 2506 2 2 GLU HA 2 3 ASN H 2.800 . 2.800 2.439 2.119 2.921 0.121 9 0 "[ . 1 . 2 ]" 1 2507 2 3 ASN H 2 3 ASN QB 3.500 . 3.500 3.330 2.773 3.557 0.057 1 0 "[ . 1 . 2 ]" 1 2508 2 2 GLU QB 2 3 ASN H 3.500 . 3.500 3.488 2.484 3.837 0.337 8 0 "[ . 1 . 2 ]" 1 2509 2 2 GLU QB 2 3 ASN H 5.500 . 5.500 3.628 2.497 4.039 . 0 0 "[ . 1 . 2 ]" 1 2510 2 4 LYS H 2 33 LYS H 4.500 . 4.500 3.289 2.870 3.788 . 0 0 "[ . 1 . 2 ]" 1 2511 2 3 ASN QD 2 4 LYS H 5.500 . 5.500 3.804 3.441 4.193 . 0 0 "[ . 1 . 2 ]" 1 2512 2 4 LYS H 2 32 TRP HA 3.500 . 3.500 2.260 1.782 2.911 0.018 12 0 "[ . 1 . 2 ]" 1 2513 2 3 ASN HA 2 4 LYS H 3.500 . 3.500 1.932 1.836 2.125 . 0 0 "[ . 1 . 2 ]" 1 2514 2 4 LYS H 2 4 LYS HA 2.800 . 2.800 2.917 2.841 2.965 0.165 12 0 "[ . 1 . 2 ]" 1 2515 2 3 ASN QB 2 4 LYS H . . 2.800 2.936 2.853 3.078 0.278 21 0 "[ . 1 . 2 ]" 1 2516 2 4 LYS H 2 4 LYS QG 3.500 . 3.500 3.074 2.425 3.671 0.171 6 0 "[ . 1 . 2 ]" 1 2517 2 4 LYS H 2 4 LYS QB 3.500 . 3.500 2.725 2.300 3.332 . 0 0 "[ . 1 . 2 ]" 1 2518 2 4 LYS H 2 4 LYS QB 3.500 . 3.500 2.779 2.323 3.411 . 0 0 "[ . 1 . 2 ]" 1 2519 2 5 ILE H 2 76 ASP H . . 3.500 3.546 3.420 4.047 0.547 1 1 "[+ . 1 . 2 ]" 1 2520 2 4 LYS H 2 5 ILE H 5.500 . 5.500 4.208 3.979 4.494 . 0 0 "[ . 1 . 2 ]" 1 2521 2 4 LYS HA 2 5 ILE H 2.800 . 2.800 2.336 2.216 2.521 . 0 0 "[ . 1 . 2 ]" 1 2522 2 5 ILE H 2 75 ALA HA 4.500 . 4.500 3.860 3.723 4.081 . 0 0 "[ . 1 . 2 ]" 1 2523 2 3 ASN QB 2 5 ILE H 5.500 . 5.500 5.184 4.667 5.565 0.065 10 0 "[ . 1 . 2 ]" 1 2524 2 5 ILE H 2 5 ILE HB 2.800 . 2.800 2.292 2.130 2.431 . 0 0 "[ . 1 . 2 ]" 1 2525 2 5 ILE H 2 5 ILE MD 3.500 . 3.500 3.524 3.369 3.591 0.091 7 0 "[ . 1 . 2 ]" 1 2526 2 4 LYS QB 2 5 ILE H 3.500 . 3.500 3.129 2.666 3.498 . 0 0 "[ . 1 . 2 ]" 1 2527 2 4 LYS QB 2 5 ILE H 5.500 . 5.500 3.151 2.672 3.533 . 0 0 "[ . 1 . 2 ]" 1 2528 2 6 ILE H 2 33 LYS H 5.500 . 5.500 3.857 3.583 4.113 . 0 0 "[ . 1 . 2 ]" 1 2529 2 5 ILE HA 2 6 ILE H 2.800 . 2.800 2.167 2.091 2.267 . 0 0 "[ . 1 . 2 ]" 1 2530 2 6 ILE H 2 34 VAL HA 5.500 . 5.500 3.035 2.838 3.362 . 0 0 "[ . 1 . 2 ]" 1 2531 2 5 ILE HB 2 6 ILE H 3.500 . 3.500 3.350 3.219 3.430 . 0 0 "[ . 1 . 2 ]" 1 2532 2 5 ILE QG 2 6 ILE H 5.500 . 5.500 4.028 3.872 4.705 . 0 0 "[ . 1 . 2 ]" 1 2533 2 6 ILE H 2 6 ILE MG 2.800 . 2.800 2.372 2.297 2.457 . 0 0 "[ . 1 . 2 ]" 1 2534 2 7 TYR H 2 8 PHE H 5.500 . 5.500 4.425 4.323 4.477 . 0 0 "[ . 1 . 2 ]" 1 2535 2 6 ILE HA 2 7 TYR H 2.800 . 2.800 2.276 2.217 2.347 . 0 0 "[ . 1 . 2 ]" 1 2536 2 7 TYR H 2 78 VAL HA 4.500 . 4.500 3.089 2.905 3.322 . 0 0 "[ . 1 . 2 ]" 1 2537 2 6 ILE HB 2 7 TYR H 5.500 . 5.500 4.086 3.895 4.332 . 0 0 "[ . 1 . 2 ]" 1 2538 2 7 TYR H 2 75 ALA MB 5.500 . 5.500 3.155 2.853 3.426 . 0 0 "[ . 1 . 2 ]" 1 2539 2 6 ILE QG 2 7 TYR H 3.500 . 3.500 2.370 2.161 2.654 . 0 0 "[ . 1 . 2 ]" 1 2540 2 6 ILE MD 2 7 TYR H 5.500 . 5.500 3.648 2.711 4.381 . 0 0 "[ . 1 . 2 ]" 1 2541 2 7 TYR H 2 8 PHE H 5.500 . 5.500 4.093 4.043 4.159 . 0 0 "[ . 1 . 2 ]" 1 2542 2 8 PHE H 2 8 PHE QD 3.500 . 3.500 3.287 2.886 3.559 0.059 5 0 "[ . 1 . 2 ]" 1 2543 2 7 TYR QD 2 8 PHE H 3.500 . 3.500 3.187 2.428 3.541 0.041 12 0 "[ . 1 . 2 ]" 1 2544 2 8 PHE H 2 36 SER HA 4.500 . 4.500 2.406 2.045 3.023 . 0 0 "[ . 1 . 2 ]" 1 2545 2 7 TYR HA 2 8 PHE H 2.800 . 2.800 2.250 2.158 2.323 . 0 0 "[ . 1 . 2 ]" 1 2546 2 7 TYR QB 2 8 PHE H 5.500 . 5.500 3.503 3.049 3.759 . 0 0 "[ . 1 . 2 ]" 1 2547 2 6 ILE QG 2 8 PHE H 4.500 . 4.500 3.795 3.645 3.945 . 0 0 "[ . 1 . 2 ]" 1 2548 2 8 PHE H 2 37 ALA MB 5.500 . 5.500 4.815 4.056 5.489 . 0 0 "[ . 1 . 2 ]" 1 2549 2 8 PHE QD 2 9 LEU H 4.500 . 4.500 4.148 3.741 4.450 . 0 0 "[ . 1 . 2 ]" 1 2550 2 9 LEU H 2 80 THR HA 4.500 . 4.500 2.912 2.732 3.124 . 0 0 "[ . 1 . 2 ]" 1 2551 2 8 PHE HA 2 9 LEU H 2.800 . 2.800 2.265 2.163 2.314 . 0 0 "[ . 1 . 2 ]" 1 2552 2 9 LEU H 2 81 LEU QB 4.500 . 4.500 3.431 2.875 4.566 0.066 18 0 "[ . 1 . 2 ]" 1 2553 2 9 LEU H 2 9 LEU QB . . 3.500 2.498 2.212 2.631 . 0 0 "[ . 1 . 2 ]" 1 2554 2 9 LEU H 2 80 THR MG 4.500 . 4.500 4.551 4.493 4.702 0.202 1 0 "[ . 1 . 2 ]" 1 2555 2 8 PHE H 2 10 SER H 5.500 . 5.500 3.951 3.523 4.376 . 0 0 "[ . 1 . 2 ]" 1 2556 2 9 LEU HA 2 10 SER H 2.800 . 2.800 2.182 2.103 2.276 . 0 0 "[ . 1 . 2 ]" 1 2557 2 10 SER H 2 38 GLY QA 3.500 . 3.500 2.996 2.661 3.218 . 0 0 "[ . 1 . 2 ]" 1 2558 2 9 LEU QB 2 10 SER H 5.500 . 5.500 3.638 3.171 4.026 . 0 0 "[ . 1 . 2 ]" 1 2559 2 9 LEU QB 2 10 SER H 4.500 . 4.500 3.645 3.174 4.036 . 0 0 "[ . 1 . 2 ]" 1 2560 2 10 SER H 2 39 ILE MG 5.500 . 5.500 4.407 3.816 4.767 . 0 0 "[ . 1 . 2 ]" 1 2561 2 9 LEU QD 2 10 SER H . . 4.500 3.002 2.313 3.415 . 0 0 "[ . 1 . 2 ]" 1 2562 2 11 THR H 2 12 GLY H 4.500 . 4.500 4.412 4.124 4.553 0.053 11 0 "[ . 1 . 2 ]" 1 2563 2 11 THR H 2 12 GLY QA 5.500 . 5.500 5.495 5.288 5.553 0.053 21 0 "[ . 1 . 2 ]" 1 2564 2 11 THR H 2 11 THR MG 4.500 . 4.500 3.695 3.569 3.743 . 0 0 "[ . 1 . 2 ]" 1 2565 2 12 GLY H 2 87 ASP HA 3.500 . 3.500 3.431 3.105 3.985 0.485 1 0 "[ . 1 . 2 ]" 1 2566 2 11 THR HB 2 12 GLY H 4.500 . 4.500 4.351 4.111 4.526 0.026 16 0 "[ . 1 . 2 ]" 1 2567 2 11 THR HA 2 12 GLY H 5.500 . 5.500 2.138 2.032 2.274 . 0 0 "[ . 1 . 2 ]" 1 2568 2 11 THR MG 2 12 GLY H 4.500 . 4.500 3.041 2.509 3.596 . 0 0 "[ . 1 . 2 ]" 1 2569 2 12 GLY H 2 39 ILE MG 5.500 . 5.500 1.892 1.599 2.192 0.201 14 0 "[ . 1 . 2 ]" 1 2570 2 9 LEU H 2 13 ASN H 5.500 . 5.500 5.589 5.196 5.797 0.297 1 0 "[ . 1 . 2 ]" 1 2571 2 12 GLY H 2 13 ASN H 5.500 . 5.500 2.828 2.536 3.213 . 0 0 "[ . 1 . 2 ]" 1 2572 2 13 ASN H 2 40 GLU H 5.500 . 5.500 5.037 4.049 5.597 0.097 1 0 "[ . 1 . 2 ]" 1 2573 2 12 GLY QA 2 13 ASN H 3.500 . 3.500 2.870 2.695 2.983 . 0 0 "[ . 1 . 2 ]" 1 2574 2 13 ASN H 2 87 ASP HA 5.500 . 5.500 5.618 5.442 6.254 0.754 1 1 "[+ . 1 . 2 ]" 1 2575 2 13 ASN H 2 41 ALA HA 4.500 . 4.500 4.301 3.665 4.731 0.231 1 0 "[ . 1 . 2 ]" 1 2576 2 15 ALA H 2 15 ALA MB 3.500 . 3.500 2.627 2.221 3.211 . 0 0 "[ . 1 . 2 ]" 1 2577 2 14 SER QB 2 15 ALA H 4.500 . 4.500 3.278 2.444 4.067 . 0 0 "[ . 1 . 2 ]" 1 2578 2 13 ASN HA 2 15 ALA H 5.500 . 5.500 4.131 2.882 6.012 0.512 3 1 "[ + . 1 . 2 ]" 1 2579 2 15 ALA H 2 18 GLN H 5.500 . 5.500 4.106 3.248 5.281 . 0 0 "[ . 1 . 2 ]" 1 2580 2 15 ALA H 2 45 ASN H 4.500 . 4.500 4.512 3.138 4.905 0.405 5 0 "[ . 1 . 2 ]" 1 2581 2 16 ARG H 2 127 ILE MD 5.500 . 5.500 4.857 4.454 5.454 . 0 0 "[ . 1 . 2 ]" 1 2582 2 16 ARG H 2 107 ALA MB 4.500 . 4.500 4.271 3.207 4.565 0.065 1 0 "[ . 1 . 2 ]" 1 2583 2 15 ALA MB 2 16 ARG H 3.500 . 3.500 2.153 1.871 2.622 . 0 0 "[ . 1 . 2 ]" 1 2584 2 15 ALA H 2 16 ARG H 5.500 . 5.500 2.981 2.263 4.366 . 0 0 "[ . 1 . 2 ]" 1 2585 2 17 SER H 2 81 LEU QD 4.500 . 4.500 3.420 2.844 4.522 0.022 3 0 "[ . 1 . 2 ]" 1 2586 2 17 SER H 2 48 ALA MB 5.500 . 5.500 5.356 4.758 5.576 0.076 19 0 "[ . 1 . 2 ]" 1 2587 2 17 SER H 2 18 GLN H . . 4.500 2.720 2.546 2.876 . 0 0 "[ . 1 . 2 ]" 1 2588 2 18 GLN H 2 19 MET H 3.500 . 3.500 2.696 2.461 2.880 . 0 0 "[ . 1 . 2 ]" 1 2589 2 18 GLN H 2 21 GLU QB 5.500 . 5.500 5.576 5.503 5.848 0.348 1 0 "[ . 1 . 2 ]" 1 2590 2 18 GLN H 2 18 GLN QG 3.500 . 3.500 2.322 1.840 3.411 . 0 0 "[ . 1 . 2 ]" 1 2591 2 18 GLN H 2 48 ALA MB 4.500 . 4.500 4.010 3.677 4.285 . 0 0 "[ . 1 . 2 ]" 1 2592 2 18 GLN H 2 18 GLN QB 3.500 . 3.500 2.582 2.274 2.799 . 0 0 "[ . 1 . 2 ]" 1 2593 2 18 GLN H 2 20 ALA MB 5.500 . 5.500 4.310 4.152 4.443 . 0 0 "[ . 1 . 2 ]" 1 2594 2 19 MET H 2 20 ALA H . . 3.500 2.664 2.590 2.796 . 0 0 "[ . 1 . 2 ]" 1 2595 2 18 GLN HA 2 19 MET H 4.500 . 4.500 3.553 3.508 3.623 . 0 0 "[ . 1 . 2 ]" 1 2596 2 19 MET H 2 21 GLU QB 5.500 . 5.500 5.482 5.165 5.672 0.172 1 0 "[ . 1 . 2 ]" 1 2597 2 19 MET H 2 48 ALA MB 4.500 . 4.500 2.864 2.481 3.271 . 0 0 "[ . 1 . 2 ]" 1 2598 2 18 GLN QB 2 19 MET H 5.500 . 5.500 2.328 2.222 2.471 . 0 0 "[ . 1 . 2 ]" 1 2599 2 19 MET H 2 59 ILE MD 5.500 . 5.500 3.849 3.415 4.196 . 0 0 "[ . 1 . 2 ]" 1 2600 2 20 ALA H 2 21 GLU H . . 3.500 2.810 2.623 2.900 . 0 0 "[ . 1 . 2 ]" 1 2601 2 17 SER HA 2 20 ALA H 4.500 . 4.500 3.301 2.873 3.619 . 0 0 "[ . 1 . 2 ]" 1 2602 2 20 ALA H 2 23 TRP QB 4.500 . 4.500 4.567 4.515 4.799 0.299 1 0 "[ . 1 . 2 ]" 1 2603 2 20 ALA H 2 21 GLU QG 4.500 . 4.500 4.509 4.351 4.604 0.104 3 0 "[ . 1 . 2 ]" 1 2604 2 20 ALA H 2 52 MET ME 5.500 . 5.500 3.503 3.043 4.109 . 0 0 "[ . 1 . 2 ]" 1 2605 2 20 ALA H 2 127 ILE MD 3.500 . 3.500 2.846 2.423 3.107 . 0 0 "[ . 1 . 2 ]" 1 2606 2 20 ALA H 2 20 ALA MB 2.800 . 2.800 2.225 2.185 2.279 . 0 0 "[ . 1 . 2 ]" 1 2607 2 21 GLU H 2 22 GLY H 3.500 . 3.500 2.677 2.556 2.793 . 0 0 "[ . 1 . 2 ]" 1 2608 2 8 PHE QD 2 21 GLU H 5.500 . 5.500 3.898 3.181 5.116 . 0 0 "[ . 1 . 2 ]" 1 2609 2 21 GLU H 2 62 GLN QE 4.500 . 4.500 4.203 3.498 4.609 0.109 6 0 "[ . 1 . 2 ]" 1 2610 2 18 GLN H 2 21 GLU H 5.500 . 5.500 4.734 4.559 4.867 . 0 0 "[ . 1 . 2 ]" 1 2611 2 18 GLN HA 2 21 GLU H 4.500 . 4.500 3.727 3.445 3.886 . 0 0 "[ . 1 . 2 ]" 1 2612 2 21 GLU H 2 21 GLU HA 2.800 . 2.800 2.853 2.833 2.879 0.079 1 0 "[ . 1 . 2 ]" 1 2613 2 21 GLU H 2 21 GLU QB 2.800 . 2.800 2.161 2.083 2.242 . 0 0 "[ . 1 . 2 ]" 1 2614 2 21 GLU H 2 34 VAL QG 4.500 . 4.500 4.226 3.910 4.563 0.063 15 0 "[ . 1 . 2 ]" 1 2615 2 20 ALA MB 2 21 GLU H 3.500 . 3.500 2.681 2.551 2.929 . 0 0 "[ . 1 . 2 ]" 1 2616 2 22 GLY H 2 23 TRP H . . 3.500 2.665 2.544 2.801 . 0 0 "[ . 1 . 2 ]" 1 2617 2 22 GLY H 2 62 GLN QE 5.500 . 5.500 3.195 2.616 4.038 . 0 0 "[ . 1 . 2 ]" 1 2618 2 18 GLN HA 2 22 GLY H 5.500 . 5.500 4.411 4.172 4.619 . 0 0 "[ . 1 . 2 ]" 1 2619 2 19 MET HA 2 22 GLY H 5.500 . 5.500 3.619 3.356 3.801 . 0 0 "[ . 1 . 2 ]" 1 2620 2 22 GLY H 2 22 GLY QA 2.800 . 2.800 2.217 2.201 2.239 . 0 0 "[ . 1 . 2 ]" 1 2621 2 21 GLU QG 2 22 GLY H 3.500 . 3.500 2.784 2.483 3.851 0.351 2 0 "[ . 1 . 2 ]" 1 2622 2 22 GLY H 2 52 MET ME 4.500 . 4.500 4.008 3.756 4.408 . 0 0 "[ . 1 . 2 ]" 1 2623 2 22 GLY H 2 59 ILE MG . . 4.500 3.336 2.509 3.757 . 0 0 "[ . 1 . 2 ]" 1 2624 2 22 GLY H 2 57 ILE MG 5.500 . 5.500 4.659 4.426 4.831 . 0 0 "[ . 1 . 2 ]" 1 2625 2 23 TRP H 2 24 ALA H 3.500 . 3.500 2.797 2.738 2.879 . 0 0 "[ . 1 . 2 ]" 1 2626 2 23 TRP H 2 25 LYS H 5.500 . 5.500 4.565 4.316 4.800 . 0 0 "[ . 1 . 2 ]" 1 2627 2 23 TRP H 2 23 TRP HD1 4.500 . 4.500 3.216 3.082 3.521 . 0 0 "[ . 1 . 2 ]" 1 2628 2 22 GLY QA 2 23 TRP H 3.500 . 3.500 2.671 2.626 2.751 . 0 0 "[ . 1 . 2 ]" 1 2629 2 20 ALA HA 2 23 TRP H 4.500 . 4.500 3.389 3.212 3.568 . 0 0 "[ . 1 . 2 ]" 1 2630 2 23 TRP H 2 23 TRP QB 2.800 . 2.800 2.183 2.149 2.254 . 0 0 "[ . 1 . 2 ]" 1 2631 2 21 GLU QB 2 23 TRP H 4.500 . 4.500 4.289 4.072 4.380 . 0 0 "[ . 1 . 2 ]" 1 2632 2 23 TRP H 2 57 ILE QG 4.500 . 4.500 4.373 3.989 4.526 0.026 14 0 "[ . 1 . 2 ]" 1 2633 2 23 TRP H 2 52 MET ME 3.500 . 3.500 2.598 2.509 2.741 . 0 0 "[ . 1 . 2 ]" 1 2634 2 23 TRP H 2 55 VAL QG 5.500 . 5.500 5.353 5.006 5.501 0.001 21 0 "[ . 1 . 2 ]" 1 2635 2 20 ALA MB 2 23 TRP H 5.500 . 5.500 4.301 4.202 4.387 . 0 0 "[ . 1 . 2 ]" 1 2636 2 23 TRP H 2 57 ILE MD 5.500 . 5.500 4.056 3.883 4.289 . 0 0 "[ . 1 . 2 ]" 1 2637 2 24 ALA H 2 25 LYS H 3.500 . 3.500 2.858 2.706 3.008 . 0 0 "[ . 1 . 2 ]" 1 2638 2 24 ALA H 2 26 GLN H 4.500 . 4.500 4.400 4.282 4.515 0.015 11 0 "[ . 1 . 2 ]" 1 2639 2 23 TRP HA 2 24 ALA H 4.500 . 4.500 3.576 3.547 3.609 . 0 0 "[ . 1 . 2 ]" 1 2640 2 21 GLU HA 2 24 ALA H 4.500 . 4.500 3.059 2.816 3.387 . 0 0 "[ . 1 . 2 ]" 1 2641 2 23 TRP QB 2 24 ALA H 3.500 . 3.500 2.680 2.587 2.772 . 0 0 "[ . 1 . 2 ]" 1 2642 2 24 ALA H 2 25 LYS QB 4.500 . 4.500 3.683 3.486 3.998 . 0 0 "[ . 1 . 2 ]" 1 2643 2 24 ALA H 2 24 ALA MB 2.800 . 2.800 2.231 2.182 2.269 . 0 0 "[ . 1 . 2 ]" 1 2644 2 24 ALA H 2 131 LEU QD 4.500 . 4.500 3.675 3.254 4.036 . 0 0 "[ . 1 . 2 ]" 1 2645 2 24 ALA H 2 131 LEU HG 3.500 . 3.500 3.104 2.692 3.516 0.016 8 0 "[ . 1 . 2 ]" 1 2646 2 23 TRP H 2 25 LYS H 5.500 . 5.500 4.126 4.021 4.195 . 0 0 "[ . 1 . 2 ]" 1 2647 2 25 LYS H 2 27 TYR H 4.500 . 4.500 4.312 4.190 4.424 . 0 0 "[ . 1 . 2 ]" 1 2648 2 25 LYS H 2 26 GLN H 2.800 . 2.800 2.854 2.825 2.987 0.187 1 0 "[ . 1 . 2 ]" 1 2649 2 25 LYS H 2 25 LYS HA 2.800 . 2.800 2.821 2.807 2.840 0.040 18 0 "[ . 1 . 2 ]" 1 2650 2 21 GLU QB 2 25 LYS H 4.500 . 4.500 3.986 3.650 4.094 . 0 0 "[ . 1 . 2 ]" 1 2651 2 25 LYS H 2 25 LYS QB 2.800 . 2.800 2.205 2.086 2.389 . 0 0 "[ . 1 . 2 ]" 1 2652 2 24 ALA MB 2 25 LYS H 2.800 . 2.800 2.385 2.313 2.457 . 0 0 "[ . 1 . 2 ]" 1 2653 2 25 LYS H 2 25 LYS QG 3.500 . 3.500 3.200 2.514 3.985 0.485 16 0 "[ . 1 . 2 ]" 1 2654 2 25 LYS H 2 131 LEU QD 5.500 . 5.500 5.012 4.751 5.354 . 0 0 "[ . 1 . 2 ]" 1 2655 2 25 LYS H 2 34 VAL QG 4.500 . 4.500 3.667 3.394 3.998 . 0 0 "[ . 1 . 2 ]" 1 2656 2 23 TRP H 2 26 GLN H 4.500 . 4.500 4.006 3.820 4.182 . 0 0 "[ . 1 . 2 ]" 1 2657 2 26 GLN H 2 27 TYR H 2.800 . 2.800 2.752 2.550 2.844 0.044 17 0 "[ . 1 . 2 ]" 1 2658 2 26 GLN H 2 26 GLN QE 4.500 . 4.500 4.356 3.875 4.539 0.039 10 0 "[ . 1 . 2 ]" 1 2659 2 23 TRP HA 2 26 GLN H . . 4.500 3.953 3.566 4.374 . 0 0 "[ . 1 . 2 ]" 1 2660 2 26 GLN H 2 26 GLN HA 2.800 . 2.800 2.854 2.832 2.938 0.138 1 0 "[ . 1 . 2 ]" 1 2661 2 25 LYS HA 2 26 GLN H 3.500 . 3.500 3.510 3.433 3.564 0.064 21 0 "[ . 1 . 2 ]" 1 2662 2 23 TRP QB 2 26 GLN H 5.500 . 5.500 5.020 4.818 5.335 . 0 0 "[ . 1 . 2 ]" 1 2663 2 26 GLN H 2 26 GLN QB 2.800 . 2.800 2.542 2.395 2.707 . 0 0 "[ . 1 . 2 ]" 1 2664 2 25 LYS QB 2 26 GLN H 2.800 . 2.800 2.447 2.312 2.619 . 0 0 "[ . 1 . 2 ]" 1 2665 2 24 ALA MB 2 26 GLN H 4.500 . 4.500 4.463 4.411 4.502 0.002 11 0 "[ . 1 . 2 ]" 1 2666 2 26 GLN H 2 57 ILE MD . . 3.500 3.563 3.505 3.876 0.376 1 0 "[ . 1 . 2 ]" 1 2667 2 27 TYR H 2 28 LEU H 2.800 . 2.800 1.967 1.865 2.082 . 0 0 "[ . 1 . 2 ]" 1 2668 2 25 LYS H 2 27 TYR H 5.500 . 5.500 4.352 4.248 4.454 . 0 0 "[ . 1 . 2 ]" 1 2669 2 26 GLN QE 2 27 TYR H 4.500 . 4.500 3.642 3.146 3.964 . 0 0 "[ . 1 . 2 ]" 1 2670 2 26 GLN HA 2 27 TYR H 3.500 . 3.500 3.407 3.336 3.462 . 0 0 "[ . 1 . 2 ]" 1 2671 2 24 ALA HA 2 27 TYR H 4.500 . 4.500 3.887 3.684 4.069 . 0 0 "[ . 1 . 2 ]" 1 2672 2 27 TYR H 2 27 TYR QB 3.500 . 3.500 2.504 2.383 2.995 . 0 0 "[ . 1 . 2 ]" 1 2673 2 26 GLN QB 2 27 TYR H 2.800 . 2.800 2.729 2.474 2.900 0.100 1 0 "[ . 1 . 2 ]" 1 2674 2 26 GLN QB 2 27 TYR H 3.500 . 3.500 3.490 3.377 3.547 0.047 21 0 "[ . 1 . 2 ]" 1 2675 2 24 ALA MB 2 27 TYR H 4.500 . 4.500 3.924 3.676 4.504 0.004 12 0 "[ . 1 . 2 ]" 1 2676 2 27 TYR H 2 28 LEU H 2.800 . 2.800 1.959 1.862 2.071 . 0 0 "[ . 1 . 2 ]" 1 2677 2 26 GLN H 2 28 LEU H 4.500 . 4.500 4.012 3.826 4.190 . 0 0 "[ . 1 . 2 ]" 1 2678 2 26 GLN QE 2 28 LEU H 5.500 . 5.500 4.700 3.373 4.943 . 0 0 "[ . 1 . 2 ]" 1 2679 2 27 TYR HA 2 28 LEU H 4.500 . 4.500 3.463 3.285 3.571 . 0 0 "[ . 1 . 2 ]" 1 2680 2 26 GLN HA 2 28 LEU H 4.500 . 4.500 3.999 3.701 4.298 . 0 0 "[ . 1 . 2 ]" 1 2681 2 24 ALA HA 2 28 LEU H 4.500 . 4.500 4.090 3.494 4.521 0.021 16 0 "[ . 1 . 2 ]" 1 2682 2 27 TYR QB 2 28 LEU H 4.500 . 4.500 3.135 2.613 3.522 . 0 0 "[ . 1 . 2 ]" 1 2683 2 28 LEU H 2 28 LEU QB 2.800 . 2.800 2.429 2.160 2.583 . 0 0 "[ . 1 . 2 ]" 1 2684 2 24 ALA MB 2 28 LEU H 4.500 . 4.500 3.030 2.649 3.778 . 0 0 "[ . 1 . 2 ]" 1 2685 2 28 LEU H 2 28 LEU QD 3.500 . 3.500 3.256 2.441 3.514 0.014 8 0 "[ . 1 . 2 ]" 1 2686 2 28 LEU H 2 29 GLY H 3.500 . 3.500 3.647 3.545 3.994 0.494 1 0 "[ . 1 . 2 ]" 1 2687 2 29 GLY H 2 30 ASP H . . 4.500 4.429 4.281 4.540 0.040 13 0 "[ . 1 . 2 ]" 1 2688 2 26 GLN H 2 29 GLY H 4.500 . 4.500 2.933 2.669 3.244 . 0 0 "[ . 1 . 2 ]" 1 2689 2 28 LEU HA 2 29 GLY H 3.500 . 3.500 2.580 2.209 3.485 . 0 0 "[ . 1 . 2 ]" 1 2690 2 29 GLY H 2 29 GLY QA 2.800 . 2.800 2.277 2.167 2.514 . 0 0 "[ . 1 . 2 ]" 1 2691 2 28 LEU QB 2 29 GLY H 4.500 . 4.500 3.271 1.830 3.970 . 0 0 "[ . 1 . 2 ]" 1 2692 2 24 ALA MB 2 29 GLY H 5.500 . 5.500 4.710 4.087 5.276 . 0 0 "[ . 1 . 2 ]" 1 2693 2 28 LEU QD 2 29 GLY H 4.500 . 4.500 3.878 3.381 4.262 . 0 0 "[ . 1 . 2 ]" 1 2694 2 30 ASP H 2 31 GLU H 2.800 . 2.800 2.743 2.561 2.819 0.019 7 0 "[ . 1 . 2 ]" 1 2695 2 30 ASP H 2 32 TRP H 4.500 . 4.500 4.328 4.254 4.454 . 0 0 "[ . 1 . 2 ]" 1 2696 2 30 ASP H 2 32 TRP HD1 5.500 . 5.500 5.275 4.865 5.545 0.045 18 0 "[ . 1 . 2 ]" 1 2697 2 30 ASP H 2 30 ASP HA 2.800 . 2.800 2.821 2.794 2.865 0.065 6 0 "[ . 1 . 2 ]" 1 2698 2 29 GLY QA 2 30 ASP H 2.800 . 2.800 2.276 2.172 2.369 . 0 0 "[ . 1 . 2 ]" 1 2699 2 30 ASP H 2 30 ASP QB 2.800 . 2.800 2.203 2.177 2.251 . 0 0 "[ . 1 . 2 ]" 1 2700 2 30 ASP H 2 31 GLU QB 4.500 . 4.500 4.210 3.820 4.384 . 0 0 "[ . 1 . 2 ]" 1 2701 2 31 GLU H 2 32 TRP H 2.800 . 2.800 2.726 2.519 2.812 0.012 13 0 "[ . 1 . 2 ]" 1 2702 2 31 GLU H 2 32 TRP HD1 4.500 . 4.500 3.628 3.247 4.159 . 0 0 "[ . 1 . 2 ]" 1 2703 2 30 ASP HA 2 31 GLU H 4.500 . 4.500 3.432 3.336 3.490 . 0 0 "[ . 1 . 2 ]" 1 2704 2 29 GLY QA 2 31 GLU H 2.800 . 2.800 2.632 2.515 2.751 . 0 0 "[ . 1 . 2 ]" 1 2705 2 30 ASP QB 2 31 GLU H 3.500 . 3.500 3.079 2.938 3.396 . 0 0 "[ . 1 . 2 ]" 1 2706 2 31 GLU H 2 31 GLU QG 4.500 . 4.500 3.677 2.185 3.955 . 0 0 "[ . 1 . 2 ]" 1 2707 2 32 TRP H 2 33 LYS H 4.500 . 4.500 4.456 4.408 4.557 0.057 18 0 "[ . 1 . 2 ]" 1 2708 2 3 ASN H 2 32 TRP H 4.500 . 4.500 4.068 3.740 4.325 . 0 0 "[ . 1 . 2 ]" 1 2709 2 29 GLY H 2 32 TRP H 5.500 . 5.500 4.356 3.392 4.931 . 0 0 "[ . 1 . 2 ]" 1 2710 2 32 TRP H 2 32 TRP HD1 2.800 . 2.800 2.769 2.489 2.885 0.085 9 0 "[ . 1 . 2 ]" 1 2711 2 30 ASP HA 2 32 TRP H 4.500 . 4.500 3.378 3.122 3.921 . 0 0 "[ . 1 . 2 ]" 1 2712 2 29 GLY QA 2 32 TRP H 3.500 . 3.500 3.317 3.274 3.345 . 0 0 "[ . 1 . 2 ]" 1 2713 2 32 TRP H 2 32 TRP QB 3.500 . 3.500 2.603 2.311 2.970 . 0 0 "[ . 1 . 2 ]" 1 2714 2 30 ASP QB 2 32 TRP H 5.500 . 5.500 4.649 4.569 4.922 . 0 0 "[ . 1 . 2 ]" 1 2715 2 28 LEU QB 2 32 TRP H 2.800 . 2.800 3.021 2.568 3.202 0.402 5 0 "[ . 1 . 2 ]" 1 2716 2 28 LEU QB 2 32 TRP H 5.500 . 5.500 4.391 3.810 5.555 0.055 12 0 "[ . 1 . 2 ]" 1 2717 2 4 LYS QG 2 32 TRP H 5.500 . 5.500 4.664 4.143 5.302 . 0 0 "[ . 1 . 2 ]" 1 2718 2 28 LEU QD 2 32 TRP H 5.500 . 5.500 5.007 4.427 5.449 . 0 0 "[ . 1 . 2 ]" 1 2719 2 33 LYS H 2 34 VAL H 4.500 . 4.500 4.190 3.525 4.410 . 0 0 "[ . 1 . 2 ]" 1 2720 2 3 ASN QD 2 33 LYS H 5.500 . 5.500 4.938 4.204 5.514 0.014 19 0 "[ . 1 . 2 ]" 1 2721 2 5 ILE HA 2 33 LYS H 3.500 . 3.500 2.839 2.698 3.153 . 0 0 "[ . 1 . 2 ]" 1 2722 2 32 TRP HA 2 33 LYS H 2.800 . 2.800 2.371 2.172 2.588 . 0 0 "[ . 1 . 2 ]" 1 2723 2 32 TRP QB 2 33 LYS H 4.500 . 4.500 2.502 2.272 2.725 . 0 0 "[ . 1 . 2 ]" 1 2724 2 32 TRP QB 2 33 LYS H 4.500 . 4.500 2.497 2.269 2.716 . 0 0 "[ . 1 . 2 ]" 1 2725 2 33 LYS H 2 33 LYS QD 4.500 . 4.500 4.579 4.204 5.077 0.577 3 1 "[ + . 1 . 2 ]" 1 2726 2 33 LYS H 2 33 LYS QB 2.800 . 2.800 2.645 2.480 2.861 0.061 17 0 "[ . 1 . 2 ]" 1 2727 2 33 LYS H 2 33 LYS QG 4.500 . 4.500 3.604 3.058 4.372 . 0 0 "[ . 1 . 2 ]" 1 2728 2 4 LYS QG 2 33 LYS H 3.500 . 3.500 3.027 2.588 3.486 . 0 0 "[ . 1 . 2 ]" 1 2729 2 34 VAL H 2 35 TYR H . . 4.500 4.404 4.209 4.557 0.057 14 0 "[ . 1 . 2 ]" 1 2730 2 33 LYS HA 2 34 VAL H 2.800 . 2.800 2.214 2.096 2.351 . 0 0 "[ . 1 . 2 ]" 1 2731 2 25 LYS QB 2 34 VAL H 2.800 . 2.800 2.727 2.418 2.873 0.073 16 0 "[ . 1 . 2 ]" 1 2732 2 24 ALA MB 2 34 VAL H 3.500 . 3.500 3.278 2.639 3.733 0.233 20 0 "[ . 1 . 2 ]" 1 2733 2 33 LYS QG 2 34 VAL H . . 4.500 4.030 2.943 4.600 0.100 14 0 "[ . 1 . 2 ]" 1 2734 2 34 VAL H 2 34 VAL QG . . 2.800 2.396 1.896 2.856 0.056 1 0 "[ . 1 . 2 ]" 1 2735 2 8 PHE H 2 35 TYR H 4.500 . 4.500 3.909 3.695 4.173 . 0 0 "[ . 1 . 2 ]" 1 2736 2 7 TYR QD 2 35 TYR H 4.500 . 4.500 4.137 3.739 4.556 0.056 17 0 "[ . 1 . 2 ]" 1 2737 2 7 TYR HA 2 35 TYR H 4.500 . 4.500 2.756 2.576 2.944 . 0 0 "[ . 1 . 2 ]" 1 2738 2 34 VAL HA 2 35 TYR H 2.800 . 2.800 2.216 2.149 2.317 . 0 0 "[ . 1 . 2 ]" 1 2739 2 35 TYR H 2 35 TYR QB . . 3.500 2.645 2.342 2.851 . 0 0 "[ . 1 . 2 ]" 1 2740 2 34 VAL HB 2 35 TYR H 5.500 . 5.500 4.152 4.020 4.473 . 0 0 "[ . 1 . 2 ]" 1 2741 2 34 VAL QG 2 35 TYR H 3.500 . 3.500 2.589 2.346 3.161 . 0 0 "[ . 1 . 2 ]" 1 2742 2 6 ILE QG 2 35 TYR H 2.800 . 2.800 2.522 2.308 2.842 0.042 18 0 "[ . 1 . 2 ]" 1 2743 2 8 PHE H 2 36 SER H 5.500 . 5.500 3.944 3.853 4.023 . 0 0 "[ . 1 . 2 ]" 1 2744 2 7 TYR QD 2 36 SER H 5.500 . 5.500 4.161 3.528 4.999 . 0 0 "[ . 1 . 2 ]" 1 2745 2 35 TYR HA 2 36 SER H 2.800 . 2.800 2.463 2.330 2.565 . 0 0 "[ . 1 . 2 ]" 1 2746 2 35 TYR QB 2 36 SER H 3.500 . 3.500 2.802 2.285 3.436 . 0 0 "[ . 1 . 2 ]" 1 2747 2 37 ALA H 2 38 GLY H 4.500 . 4.500 4.401 4.341 4.453 . 0 0 "[ . 1 . 2 ]" 1 2748 2 13 ASN QD 2 37 ALA H 5.500 . 5.500 4.179 3.373 4.866 . 0 0 "[ . 1 . 2 ]" 1 2749 2 36 SER HA 2 37 ALA H 2.800 . 2.800 2.299 2.230 2.396 . 0 0 "[ . 1 . 2 ]" 1 2750 2 9 LEU HA 2 37 ALA H 4.500 . 4.500 3.048 2.706 3.269 . 0 0 "[ . 1 . 2 ]" 1 2751 2 36 SER QB 2 37 ALA H 3.500 . 3.500 2.950 2.426 3.460 . 0 0 "[ . 1 . 2 ]" 1 2752 2 37 ALA H 2 37 ALA MB 2.800 . 2.800 2.645 2.478 2.814 0.014 1 0 "[ . 1 . 2 ]" 1 2753 2 37 ALA H 2 67 ILE MG 5.500 . 5.500 5.291 4.620 5.561 0.061 11 0 "[ . 1 . 2 ]" 1 2754 2 9 LEU QD 2 37 ALA H 3.500 . 3.500 3.447 2.914 3.752 0.252 1 0 "[ . 1 . 2 ]" 1 2755 2 38 GLY H 2 67 ILE H 5.500 . 5.500 2.959 2.730 3.242 . 0 0 "[ . 1 . 2 ]" 1 2756 2 37 ALA HA 2 38 GLY H 3.500 . 3.500 2.513 2.326 2.603 . 0 0 "[ . 1 . 2 ]" 1 2757 2 13 ASN QB 2 38 GLY H 4.500 . 4.500 3.526 3.072 4.077 . 0 0 "[ . 1 . 2 ]" 1 2758 2 37 ALA MB 2 38 GLY H 3.500 . 3.500 2.265 2.108 2.613 . 0 0 "[ . 1 . 2 ]" 1 2759 2 38 GLY H 2 41 ALA MB 5.500 . 5.500 2.335 2.093 2.839 . 0 0 "[ . 1 . 2 ]" 1 2760 2 39 ILE H 2 40 GLU H 3.500 . 3.500 3.250 3.010 4.166 0.666 11 1 "[ . 1+ . 2 ]" 1 2761 2 38 GLY QA 2 39 ILE H 3.500 . 3.500 2.267 2.233 2.316 . 0 0 "[ . 1 . 2 ]" 1 2762 2 11 THR HA 2 39 ILE H 3.500 . 3.500 3.516 3.290 3.669 0.169 6 0 "[ . 1 . 2 ]" 1 2763 2 39 ILE H 2 39 ILE HB 3.500 . 3.500 2.595 2.508 2.675 . 0 0 "[ . 1 . 2 ]" 1 2764 2 39 ILE H 2 90 PRO QG 5.500 . 5.500 5.079 4.683 5.528 0.028 12 0 "[ . 1 . 2 ]" 1 2765 2 39 ILE H 2 39 ILE QG 4.500 . 4.500 3.973 3.883 4.035 . 0 0 "[ . 1 . 2 ]" 1 2766 2 39 ILE H 2 39 ILE MD 4.500 . 4.500 4.160 4.054 4.325 . 0 0 "[ . 1 . 2 ]" 1 2767 2 39 ILE H 2 39 ILE MG 3.500 . 3.500 1.960 1.852 2.103 . 0 0 "[ . 1 . 2 ]" 1 2768 2 39 ILE MG 2 40 GLU H 5.500 . 5.500 1.983 1.733 3.372 0.067 10 0 "[ . 1 . 2 ]" 1 2769 2 39 ILE MD 2 40 GLU H 4.500 . 4.500 3.500 2.684 3.688 . 0 0 "[ . 1 . 2 ]" 1 2770 2 39 ILE QG 2 40 GLU H 3.500 . 3.500 2.977 2.053 3.099 . 0 0 "[ . 1 . 2 ]" 1 2771 2 39 ILE HB 2 40 GLU H 4.500 . 4.500 3.931 3.763 4.023 . 0 0 "[ . 1 . 2 ]" 1 2772 2 38 GLY QA 2 40 GLU H 5.500 . 5.500 4.040 3.774 5.276 . 0 0 "[ . 1 . 2 ]" 1 2773 2 12 GLY QA 2 40 GLU H 5.500 . 5.500 2.638 1.866 4.484 . 0 0 "[ . 1 . 2 ]" 1 2774 2 41 ALA H 2 41 ALA MB 2.800 . 2.800 2.073 2.035 2.229 . 0 0 "[ . 1 . 2 ]" 1 2775 2 39 ILE QG 2 41 ALA H 5.500 . 5.500 4.798 4.680 4.873 . 0 0 "[ . 1 . 2 ]" 1 2776 2 40 GLU H 2 41 ALA H 5.500 . 5.500 2.457 2.302 3.321 . 0 0 "[ . 1 . 2 ]" 1 2777 2 43 GLY H 2 44 LEU H 4.500 . 4.500 4.321 3.658 4.545 0.045 9 0 "[ . 1 . 2 ]" 1 2778 2 42 HIS HA 2 43 GLY H 3.500 . 3.500 2.686 2.223 3.435 . 0 0 "[ . 1 . 2 ]" 1 2779 2 43 GLY H 2 64 SER QB 3.500 . 3.500 3.074 1.770 3.604 0.104 20 0 "[ . 1 . 2 ]" 1 2780 2 41 ALA MB 2 43 GLY H 5.500 . 5.500 4.310 3.463 4.886 . 0 0 "[ . 1 . 2 ]" 1 2781 2 44 LEU H 2 45 ASN H 4.500 . 4.500 3.420 2.832 4.088 . 0 0 "[ . 1 . 2 ]" 1 2782 2 45 ASN H 2 45 ASN QD 5.500 . 5.500 4.522 4.429 4.762 . 0 0 "[ . 1 . 2 ]" 1 2783 2 14 SER HA 2 45 ASN H 4.500 . 4.500 3.698 3.207 4.530 0.030 21 0 "[ . 1 . 2 ]" 1 2784 2 44 LEU HA 2 45 ASN H 2.800 . 2.800 2.262 2.153 2.403 . 0 0 "[ . 1 . 2 ]" 1 2785 2 14 SER QB 2 45 ASN H 4.500 . 4.500 3.431 2.620 4.222 . 0 0 "[ . 1 . 2 ]" 1 2786 2 45 ASN H 2 45 ASN QB 3.500 . 3.500 2.203 2.138 2.331 . 0 0 "[ . 1 . 2 ]" 1 2787 2 45 ASN H 2 48 ALA MB 4.500 . 4.500 3.486 3.041 3.854 . 0 0 "[ . 1 . 2 ]" 1 2788 2 44 LEU QB 2 45 ASN H 5.500 . 5.500 4.052 3.872 4.128 . 0 0 "[ . 1 . 2 ]" 1 2789 2 44 LEU QD 2 45 ASN H . . 4.500 3.133 2.219 3.589 . 0 0 "[ . 1 . 2 ]" 1 2790 2 47 ASN H 2 48 ALA H 2.800 . 2.800 2.704 2.582 2.813 0.013 9 0 "[ . 1 . 2 ]" 1 2791 2 47 ASN H 2 49 VAL H 5.500 . 5.500 4.098 4.026 4.163 . 0 0 "[ . 1 . 2 ]" 1 2792 2 47 ASN H 2 47 ASN QD 4.500 . 4.500 4.477 3.873 4.599 0.099 1 0 "[ . 1 . 2 ]" 1 2793 2 45 ASN HA 2 47 ASN H 5.500 . 5.500 3.908 3.812 4.034 . 0 0 "[ . 1 . 2 ]" 1 2794 2 46 PRO HA 2 47 ASN H 4.500 . 4.500 3.567 3.549 3.597 . 0 0 "[ . 1 . 2 ]" 1 2795 2 46 PRO QD 2 47 ASN H . . 3.500 3.051 2.912 3.120 . 0 0 "[ . 1 . 2 ]" 1 2796 2 46 PRO QG 2 47 ASN H 3.500 . 3.500 2.871 2.670 2.969 . 0 0 "[ . 1 . 2 ]" 1 2797 2 47 ASN H 2 48 ALA MB 4.500 . 4.500 4.394 4.118 4.520 0.020 11 0 "[ . 1 . 2 ]" 1 2798 2 48 ALA H 2 49 VAL QG 4.500 . 4.500 3.791 3.633 3.969 . 0 0 "[ . 1 . 2 ]" 1 2799 2 47 ASN QB 2 48 ALA H 5.500 . 5.500 3.283 2.563 3.769 . 0 0 "[ . 1 . 2 ]" 1 2800 2 48 ALA H 2 48 ALA MB 2.800 . 2.800 2.239 2.145 2.289 . 0 0 "[ . 1 . 2 ]" 1 2801 2 47 ASN QB 2 48 ALA H 4.500 . 4.500 3.226 2.557 3.643 . 0 0 "[ . 1 . 2 ]" 1 2802 2 48 ALA H 2 49 VAL HB 5.500 . 5.500 4.766 4.456 5.016 . 0 0 "[ . 1 . 2 ]" 1 2803 2 45 ASN QB 2 48 ALA H 3.500 . 3.500 2.775 2.509 3.357 . 0 0 "[ . 1 . 2 ]" 1 2804 2 47 ASN HA 2 48 ALA H 4.500 . 4.500 3.597 3.431 3.678 . 0 0 "[ . 1 . 2 ]" 1 2805 2 48 ALA H 2 49 VAL H 3.500 . 3.500 2.466 2.245 2.688 . 0 0 "[ . 1 . 2 ]" 1 2806 2 45 ASN H 2 48 ALA H 5.500 . 5.500 4.477 4.004 5.096 . 0 0 "[ . 1 . 2 ]" 1 2807 2 49 VAL H 2 49 VAL QG 2.800 . 2.800 2.050 2.004 2.107 . 0 0 "[ . 1 . 2 ]" 1 2808 2 48 ALA MB 2 49 VAL H 3.500 . 3.500 2.612 2.483 2.696 . 0 0 "[ . 1 . 2 ]" 1 2809 2 49 VAL H 2 49 VAL HB 2.800 . 2.800 2.665 2.616 2.764 . 0 0 "[ . 1 . 2 ]" 1 2810 2 49 VAL H 2 50 LYS HA 5.500 . 5.500 5.396 5.317 5.470 . 0 0 "[ . 1 . 2 ]" 1 2811 2 46 PRO HA 2 49 VAL H 3.500 . 3.500 2.851 2.761 2.918 . 0 0 "[ . 1 . 2 ]" 1 2812 2 49 VAL H 2 50 LYS H 3.500 . 3.500 2.795 2.716 2.869 . 0 0 "[ . 1 . 2 ]" 1 2813 2 47 ASN H 2 49 VAL H 4.500 . 4.500 3.661 3.624 3.711 . 0 0 "[ . 1 . 2 ]" 1 2814 2 50 LYS H 2 51 ALA H 3.500 . 3.500 2.824 2.697 2.907 . 0 0 "[ . 1 . 2 ]" 1 2815 2 131 LEU H 2 132 LYS H . . 2.800 2.730 2.640 2.810 0.010 19 0 "[ . 1 . 2 ]" 1 2816 2 48 ALA H 2 50 LYS H 5.500 . 5.500 4.141 3.888 4.425 . 0 0 "[ . 1 . 2 ]" 1 2817 2 130 ARG H 2 131 LEU H 3.500 . 3.500 2.771 2.630 2.921 . 0 0 "[ . 1 . 2 ]" 1 2818 2 47 ASN HA 2 50 LYS H 3.500 . 3.500 3.417 2.955 3.512 0.012 3 0 "[ . 1 . 2 ]" 1 2819 2 50 LYS H 2 50 LYS HA . . 2.800 2.828 2.807 2.849 0.049 12 0 "[ . 1 . 2 ]" 1 2820 2 49 VAL HB 2 50 LYS H 3.500 . 3.500 2.491 2.421 2.541 . 0 0 "[ . 1 . 2 ]" 1 2821 2 50 LYS H 2 53 LYS QB 4.500 . 4.500 4.479 4.245 4.812 0.312 2 0 "[ . 1 . 2 ]" 1 2822 2 50 LYS H 2 50 LYS QB 2.800 . 2.800 2.208 2.160 2.263 . 0 0 "[ . 1 . 2 ]" 1 2823 2 24 ALA MB 2 50 LYS H 4.500 . 4.500 4.544 4.481 4.601 0.101 1 0 "[ . 1 . 2 ]" 1 2824 2 50 LYS H 2 50 LYS QG 3.500 . 3.500 2.203 2.121 2.253 . 0 0 "[ . 1 . 2 ]" 1 2825 2 49 VAL QG 2 50 LYS H 3.500 . 3.500 3.228 3.167 3.275 . 0 0 "[ . 1 . 2 ]" 1 2826 2 51 ALA H 2 52 MET H 3.500 . 3.500 2.919 2.831 2.981 . 0 0 "[ . 1 . 2 ]" 1 2827 2 49 VAL H 2 51 ALA H 4.500 . 4.500 4.121 4.025 4.180 . 0 0 "[ . 1 . 2 ]" 1 2828 2 47 ASN HA 2 51 ALA H 4.500 . 4.500 3.869 3.715 3.993 . 0 0 "[ . 1 . 2 ]" 1 2829 2 48 ALA HA 2 51 ALA H 2.800 . 2.800 2.611 2.543 2.648 . 0 0 "[ . 1 . 2 ]" 1 2830 2 50 LYS HA 2 51 ALA H 4.500 . 4.500 3.586 3.539 3.625 . 0 0 "[ . 1 . 2 ]" 1 2831 2 19 MET QB 2 51 ALA H 5.500 . 5.500 4.237 4.028 4.392 . 0 0 "[ . 1 . 2 ]" 1 2832 2 50 LYS QB 2 51 ALA H 2.800 . 2.800 2.570 2.479 2.728 . 0 0 "[ . 1 . 2 ]" 1 2833 2 50 LYS QG 2 51 ALA H 2.800 . 2.800 2.173 2.133 2.223 . 0 0 "[ . 1 . 2 ]" 1 2834 2 50 LYS QG 2 51 ALA H 4.500 . 4.500 3.590 3.281 4.073 . 0 0 "[ . 1 . 2 ]" 1 2835 2 52 MET H 2 53 LYS H 2.800 . 2.800 2.412 2.276 2.583 . 0 0 "[ . 1 . 2 ]" 1 2836 2 48 ALA HA 2 52 MET H 3.500 . 3.500 3.435 3.355 3.477 . 0 0 "[ . 1 . 2 ]" 1 2837 2 19 MET QB 2 52 MET H 4.500 . 4.500 4.534 3.902 4.837 0.337 19 0 "[ . 1 . 2 ]" 1 2838 2 51 ALA MB 2 52 MET H 3.500 . 3.500 2.774 2.612 2.970 . 0 0 "[ . 1 . 2 ]" 1 2839 2 52 MET H 2 55 VAL QG 5.500 . 5.500 4.267 4.149 4.454 . 0 0 "[ . 1 . 2 ]" 1 2840 2 52 MET H 2 52 MET QB 2.800 . 2.800 2.377 2.275 2.481 . 0 0 "[ . 1 . 2 ]" 1 2841 2 51 ALA H 2 53 LYS H 5.500 . 5.500 4.308 4.184 4.440 . 0 0 "[ . 1 . 2 ]" 1 2842 2 53 LYS H 2 56 GLY H 5.500 . 5.500 4.121 4.080 4.225 . 0 0 "[ . 1 . 2 ]" 1 2843 2 53 LYS H 2 54 GLU H 3.500 . 3.500 2.755 2.650 2.833 . 0 0 "[ . 1 . 2 ]" 1 2844 2 52 MET HA 2 53 LYS H 5.500 . 5.500 3.587 3.562 3.625 . 0 0 "[ . 1 . 2 ]" 1 2845 2 50 LYS HA 2 53 LYS H 4.500 . 4.500 3.244 2.994 3.404 . 0 0 "[ . 1 . 2 ]" 1 2846 2 53 LYS H 2 54 GLU QB 5.500 . 5.500 4.817 4.271 4.969 . 0 0 "[ . 1 . 2 ]" 1 2847 2 53 LYS H 2 53 LYS QB 2.800 . 2.800 2.492 2.394 2.613 . 0 0 "[ . 1 . 2 ]" 1 2848 2 53 LYS H 2 53 LYS QG . . 3.500 2.244 2.163 2.340 . 0 0 "[ . 1 . 2 ]" 1 2849 2 53 LYS H 2 55 VAL QG 5.500 . 5.500 4.394 4.297 4.546 . 0 0 "[ . 1 . 2 ]" 1 2850 2 52 MET H 2 54 GLU H 4.500 . 4.500 3.867 3.583 4.060 . 0 0 "[ . 1 . 2 ]" 1 2851 2 54 GLU H 2 56 GLY H 4.500 . 4.500 3.888 3.825 4.043 . 0 0 "[ . 1 . 2 ]" 1 2852 2 54 GLU H 2 55 VAL H 3.500 . 3.500 2.813 2.730 2.861 . 0 0 "[ . 1 . 2 ]" 1 2853 2 54 GLU H 2 55 VAL HA 5.500 . 5.500 5.460 5.408 5.495 . 0 0 "[ . 1 . 2 ]" 1 2854 2 54 GLU H 2 54 GLU HA 2.800 . 2.800 2.813 2.787 2.839 0.039 20 0 "[ . 1 . 2 ]" 1 2855 2 50 LYS HA 2 54 GLU H 5.500 . 5.500 4.195 3.887 4.495 . 0 0 "[ . 1 . 2 ]" 1 2856 2 53 LYS HA 2 54 GLU H 4.500 . 4.500 3.568 3.531 3.594 . 0 0 "[ . 1 . 2 ]" 1 2857 2 54 GLU H 2 54 GLU QG . . 2.800 2.413 2.179 2.752 . 0 0 "[ . 1 . 2 ]" 1 2858 2 54 GLU H 2 54 GLU QB 2.800 . 2.800 2.493 2.126 2.592 . 0 0 "[ . 1 . 2 ]" 1 2859 2 53 LYS QB 2 54 GLU H 2.800 . 2.800 2.927 2.744 3.061 0.261 7 0 "[ . 1 . 2 ]" 1 2860 2 50 LYS QG 2 54 GLU H 4.500 . 4.500 3.964 3.840 4.161 . 0 0 "[ . 1 . 2 ]" 1 2861 2 54 GLU H 2 55 VAL QG . . 4.500 3.754 3.659 3.843 . 0 0 "[ . 1 . 2 ]" 1 2862 2 55 VAL H 2 56 GLY H 2.800 . 2.800 2.383 2.227 2.484 . 0 0 "[ . 1 . 2 ]" 1 2863 2 23 TRP HZ2 2 55 VAL H 5.500 . 5.500 5.578 5.512 6.009 0.509 1 1 "[+ . 1 . 2 ]" 1 2864 2 52 MET HA 2 55 VAL H 4.500 . 4.500 3.413 3.238 3.574 . 0 0 "[ . 1 . 2 ]" 1 2865 2 54 GLU HA 2 55 VAL H 3.500 . 3.500 3.537 3.487 3.556 0.056 15 0 "[ . 1 . 2 ]" 1 2866 2 53 LYS HA 2 55 VAL H 5.500 . 5.500 3.803 3.636 4.028 . 0 0 "[ . 1 . 2 ]" 1 2867 2 55 VAL H 2 56 GLY QA 4.500 . 4.500 4.179 4.058 4.289 . 0 0 "[ . 1 . 2 ]" 1 2868 2 54 GLU QG 2 55 VAL H 3.500 . 3.500 3.488 3.019 3.560 0.060 1 0 "[ . 1 . 2 ]" 1 2869 2 54 GLU QB 2 55 VAL H 3.500 . 3.500 2.835 2.646 3.024 . 0 0 "[ . 1 . 2 ]" 1 2870 2 55 VAL H 2 55 VAL QG 2.800 . 2.800 2.060 2.013 2.134 . 0 0 "[ . 1 . 2 ]" 1 2871 2 52 MET ME 2 55 VAL H 5.500 . 5.500 4.381 4.233 4.521 . 0 0 "[ . 1 . 2 ]" 1 2872 2 54 GLU H 2 56 GLY H 4.500 . 4.500 4.059 3.990 4.223 . 0 0 "[ . 1 . 2 ]" 1 2873 2 55 VAL HA 2 56 GLY H 3.500 . 3.500 3.112 3.083 3.182 . 0 0 "[ . 1 . 2 ]" 1 2874 2 56 GLY H 2 56 GLY QA 2.800 . 2.800 2.173 2.166 2.181 . 0 0 "[ . 1 . 2 ]" 1 2875 2 53 LYS HA 2 56 GLY H 4.500 . 4.500 2.939 2.811 3.123 . 0 0 "[ . 1 . 2 ]" 1 2876 2 54 GLU QG 2 56 GLY H 5.500 . 5.500 4.318 4.297 4.355 . 0 0 "[ . 1 . 2 ]" 1 2877 2 55 VAL QG 2 56 GLY H 4.500 . 4.500 3.308 3.274 3.342 . 0 0 "[ . 1 . 2 ]" 1 2878 2 55 VAL QG 2 56 GLY H 3.500 . 3.500 3.399 3.353 3.437 . 0 0 "[ . 1 . 2 ]" 1 2879 2 53 LYS H 2 57 ILE H 5.500 . 5.500 4.398 4.336 4.533 . 0 0 "[ . 1 . 2 ]" 1 2880 2 52 MET H 2 57 ILE H 5.500 . 5.500 5.663 5.628 5.899 0.399 1 0 "[ . 1 . 2 ]" 1 2881 2 54 GLU H 2 57 ILE H 5.500 . 5.500 4.979 4.865 5.165 . 0 0 "[ . 1 . 2 ]" 1 2882 2 55 VAL H 2 57 ILE H 4.500 . 4.500 3.503 3.384 3.677 . 0 0 "[ . 1 . 2 ]" 1 2883 2 55 VAL HA 2 57 ILE H 5.500 . 5.500 5.025 4.909 5.110 . 0 0 "[ . 1 . 2 ]" 1 2884 2 56 GLY QA 2 57 ILE H 3.500 . 3.500 2.819 2.749 2.914 . 0 0 "[ . 1 . 2 ]" 1 2885 2 53 LYS HA 2 57 ILE H 2.800 . 2.800 2.862 2.829 2.938 0.138 1 0 "[ . 1 . 2 ]" 1 2886 2 55 VAL QG 2 57 ILE H 3.500 . 3.500 2.658 2.581 2.713 . 0 0 "[ . 1 . 2 ]" 1 2887 2 57 ILE H 2 57 ILE HB 2.800 . 2.800 2.605 2.515 2.711 . 0 0 "[ . 1 . 2 ]" 1 2888 2 52 MET ME 2 57 ILE H 4.500 . 4.500 3.908 3.798 4.131 . 0 0 "[ . 1 . 2 ]" 1 2889 2 55 VAL QG 2 57 ILE H 3.500 . 3.500 3.034 2.903 3.148 . 0 0 "[ . 1 . 2 ]" 1 2890 2 57 ILE H 2 57 ILE QG 4.500 . 4.500 2.941 2.835 3.055 . 0 0 "[ . 1 . 2 ]" 1 2891 2 57 ILE H 2 57 ILE MG 4.500 . 4.500 3.865 3.803 3.923 . 0 0 "[ . 1 . 2 ]" 1 2892 2 57 ILE H 2 57 ILE MD 4.500 . 4.500 4.174 4.036 4.290 . 0 0 "[ . 1 . 2 ]" 1 2893 2 56 GLY H 2 58 ASP H 4.500 . 4.500 4.277 4.034 4.433 . 0 0 "[ . 1 . 2 ]" 1 2894 2 57 ILE HA 2 58 ASP H 2.800 . 2.800 2.271 2.182 2.388 . 0 0 "[ . 1 . 2 ]" 1 2895 2 58 ASP H 2 58 ASP QB 2.800 . 2.800 2.408 2.276 2.540 . 0 0 "[ . 1 . 2 ]" 1 2896 2 57 ILE QG 2 58 ASP H 4.500 . 4.500 4.146 3.972 4.338 . 0 0 "[ . 1 . 2 ]" 1 2897 2 57 ILE MG 2 58 ASP H 3.500 . 3.500 2.679 2.167 3.287 . 0 0 "[ . 1 . 2 ]" 1 2898 2 57 ILE MD 2 58 ASP H 5.500 . 5.500 5.131 4.846 5.501 0.001 10 0 "[ . 1 . 2 ]" 1 2899 2 57 ILE QG 2 58 ASP H 5.500 . 5.500 4.039 3.867 4.242 . 0 0 "[ . 1 . 2 ]" 1 2900 2 57 ILE HB 2 58 ASP H 5.500 . 5.500 4.194 3.865 4.499 . 0 0 "[ . 1 . 2 ]" 1 2901 2 59 ILE H 2 60 SER H 3.500 . 3.500 2.095 2.052 2.180 . 0 0 "[ . 1 . 2 ]" 1 2902 2 58 ASP HA 2 59 ILE H 2.800 . 2.800 2.161 2.093 2.211 . 0 0 "[ . 1 . 2 ]" 1 2903 2 58 ASP QB 2 59 ILE H 5.500 . 5.500 3.661 3.581 3.741 . 0 0 "[ . 1 . 2 ]" 1 2904 2 59 ILE H 2 59 ILE QG 4.500 . 4.500 2.515 2.415 2.609 . 0 0 "[ . 1 . 2 ]" 1 2905 2 49 VAL QG 2 59 ILE H 4.500 . 4.500 2.971 2.663 3.236 . 0 0 "[ . 1 . 2 ]" 1 2906 2 59 ILE H 2 59 ILE MG 4.500 . 4.500 3.114 2.976 3.313 . 0 0 "[ . 1 . 2 ]" 1 2907 2 59 ILE H 2 59 ILE MD 5.500 . 5.500 4.190 4.110 4.263 . 0 0 "[ . 1 . 2 ]" 1 2908 2 60 SER H 2 61 ASN H 3.500 . 3.500 2.884 2.564 3.153 . 0 0 "[ . 1 . 2 ]" 1 2909 2 58 ASP HA 2 60 SER H 4.500 . 4.500 3.597 3.448 3.715 . 0 0 "[ . 1 . 2 ]" 1 2910 2 59 ILE HA 2 60 SER H 3.500 . 3.500 3.134 3.048 3.204 . 0 0 "[ . 1 . 2 ]" 1 2911 2 60 SER H 2 60 SER QB 2.800 . 2.800 2.562 2.494 2.641 . 0 0 "[ . 1 . 2 ]" 1 2912 2 60 SER H 2 60 SER HA 2.800 . 2.800 2.374 2.331 2.427 . 0 0 "[ . 1 . 2 ]" 1 2913 2 59 ILE HB 2 60 SER H 5.500 . 5.500 4.494 4.464 4.529 . 0 0 "[ . 1 . 2 ]" 1 2914 2 49 VAL QG 2 60 SER H 3.500 . 3.500 3.331 3.053 3.597 0.097 16 0 "[ . 1 . 2 ]" 1 2915 2 59 ILE QG 2 60 SER H 5.500 . 5.500 3.580 3.497 3.679 . 0 0 "[ . 1 . 2 ]" 1 2916 2 44 LEU QD 2 60 SER H 4.500 . 4.500 3.833 3.763 3.966 . 0 0 "[ . 1 . 2 ]" 1 2917 2 61 ASN H 2 62 GLN H 2.800 . 2.800 2.331 1.781 2.727 0.019 2 0 "[ . 1 . 2 ]" 1 2918 2 61 ASN H 2 61 ASN QD 4.500 . 4.500 3.976 2.155 4.521 0.021 4 0 "[ . 1 . 2 ]" 1 2919 2 61 ASN H 2 61 ASN HA 2.800 . 2.800 2.905 2.841 2.938 0.138 7 0 "[ . 1 . 2 ]" 1 2920 2 60 SER QB 2 61 ASN H 4.500 . 4.500 3.420 2.955 3.812 . 0 0 "[ . 1 . 2 ]" 1 2921 2 60 SER HA 2 61 ASN H 3.500 . 3.500 2.945 2.793 3.174 . 0 0 "[ . 1 . 2 ]" 1 2922 2 61 ASN H 2 61 ASN QB 3.500 . 3.500 2.437 2.027 3.039 . 0 0 "[ . 1 . 2 ]" 1 2923 2 61 ASN H 2 62 GLN QB 5.500 . 5.500 4.327 3.498 4.733 . 0 0 "[ . 1 . 2 ]" 1 2924 2 59 ILE HB 2 61 ASN H 4.500 . 4.500 4.400 3.883 4.992 0.492 1 0 "[ . 1 . 2 ]" 1 2925 2 44 LEU QD 2 61 ASN H 5.500 . 5.500 3.690 2.858 4.353 . 0 0 "[ . 1 . 2 ]" 1 2926 2 62 GLN H 2 63 THR H 4.500 . 4.500 4.498 3.197 4.621 0.121 1 0 "[ . 1 . 2 ]" 1 2927 2 60 SER H 2 62 GLN H 5.500 . 5.500 4.494 4.342 5.014 . 0 0 "[ . 1 . 2 ]" 1 2928 2 62 GLN H 2 62 GLN QE 4.500 . 4.500 4.524 4.153 4.646 0.146 10 0 "[ . 1 . 2 ]" 1 2929 2 61 ASN HA 2 62 GLN H 3.500 . 3.500 3.464 3.223 3.566 0.066 6 0 "[ . 1 . 2 ]" 1 2930 2 59 ILE HA 2 62 GLN H 4.500 . 4.500 3.642 3.308 4.135 . 0 0 "[ . 1 . 2 ]" 1 2931 2 60 SER HA 2 62 GLN H 4.500 . 4.500 3.786 3.610 4.115 . 0 0 "[ . 1 . 2 ]" 1 2932 2 61 ASN QB 2 62 GLN H 5.500 . 5.500 3.516 3.019 3.980 . 0 0 "[ . 1 . 2 ]" 1 2933 2 62 GLN H 2 62 GLN QB 2.800 . 2.800 2.313 2.087 2.678 . 0 0 "[ . 1 . 2 ]" 1 2934 2 59 ILE HB 2 62 GLN H 3.500 . 3.500 3.552 3.400 3.948 0.448 1 0 "[ . 1 . 2 ]" 1 2935 2 44 LEU QD 2 62 GLN H . . 3.500 2.679 2.240 3.041 . 0 0 "[ . 1 . 2 ]" 1 2936 2 62 GLN HA 2 63 THR H 3.500 . 3.500 2.303 2.103 3.529 0.029 14 0 "[ . 1 . 2 ]" 1 2937 2 21 GLU QG 2 63 THR H 4.500 . 4.500 2.507 2.125 2.837 . 0 0 "[ . 1 . 2 ]" 1 2938 2 63 THR H 2 63 THR MG 2.800 . 2.800 2.794 2.532 3.159 0.359 1 0 "[ . 1 . 2 ]" 1 2939 2 44 LEU QD 2 63 THR H 5.500 . 5.500 4.326 2.325 5.291 . 0 0 "[ . 1 . 2 ]" 1 2940 2 63 THR MG 2 64 SER H 4.500 . 4.500 3.548 2.462 4.405 . 0 0 "[ . 1 . 2 ]" 1 2941 2 65 ASP H 2 66 ILE H 5.500 . 5.500 4.336 4.287 4.407 . 0 0 "[ . 1 . 2 ]" 1 2942 2 18 GLN QE 2 65 ASP H 5.500 . 5.500 5.078 4.075 5.461 . 0 0 "[ . 1 . 2 ]" 1 2943 2 42 HIS HA 2 65 ASP H 3.500 . 3.500 3.612 3.512 4.269 0.769 1 1 "[+ . 1 . 2 ]" 1 2944 2 64 SER QB 2 65 ASP H 4.500 . 4.500 2.250 1.830 3.239 . 0 0 "[ . 1 . 2 ]" 1 2945 2 65 ASP H 2 65 ASP QB . . 3.500 2.814 2.722 2.905 . 0 0 "[ . 1 . 2 ]" 1 2946 2 37 ALA MB 2 65 ASP H 5.500 . 5.500 4.300 3.705 5.383 . 0 0 "[ . 1 . 2 ]" 1 2947 2 41 ALA MB 2 65 ASP H 4.500 . 4.500 3.115 2.719 3.393 . 0 0 "[ . 1 . 2 ]" 1 2948 2 65 ASP HA 2 66 ILE H 2.800 . 2.800 2.359 2.298 2.428 . 0 0 "[ . 1 . 2 ]" 1 2949 2 65 ASP QB 2 66 ILE H 3.500 . 3.500 3.301 3.207 3.440 . 0 0 "[ . 1 . 2 ]" 1 2950 2 66 ILE H 2 66 ILE HB 3.500 . 3.500 3.547 3.527 3.650 0.150 1 0 "[ . 1 . 2 ]" 1 2951 2 66 ILE H 2 66 ILE QG . . 2.800 1.869 1.828 2.124 . 0 0 "[ . 1 . 2 ]" 1 2952 2 66 ILE H 2 66 ILE MG 2.800 . 2.800 2.440 2.260 2.609 . 0 0 "[ . 1 . 2 ]" 1 2953 2 66 ILE HA 2 67 ILE H 2.800 . 2.800 2.479 2.376 2.600 . 0 0 "[ . 1 . 2 ]" 1 2954 2 66 ILE HB 2 67 ILE H 3.500 . 3.500 2.339 2.200 2.461 . 0 0 "[ . 1 . 2 ]" 1 2955 2 67 ILE H 2 67 ILE HB 3.500 . 3.500 3.543 3.511 3.592 0.092 3 0 "[ . 1 . 2 ]" 1 2956 2 66 ILE QG 2 67 ILE H 3.500 . 3.500 2.822 2.417 3.013 . 0 0 "[ . 1 . 2 ]" 1 2957 2 37 ALA MB 2 67 ILE H 4.500 . 4.500 3.027 2.907 3.138 . 0 0 "[ . 1 . 2 ]" 1 2958 2 66 ILE MG 2 67 ILE H . . 3.500 3.487 3.347 3.560 0.060 1 0 "[ . 1 . 2 ]" 1 2959 2 67 ILE H 2 67 ILE MG 3.500 . 3.500 1.927 1.864 2.124 . 0 0 "[ . 1 . 2 ]" 1 2960 2 67 ILE H 2 68 ASP H 4.500 . 4.500 4.546 3.686 4.643 0.143 1 0 "[ . 1 . 2 ]" 1 2961 2 67 ILE HA 2 68 ASP H 3.500 . 3.500 2.201 2.131 2.855 . 0 0 "[ . 1 . 2 ]" 1 2962 2 68 ASP H 2 68 ASP QB 3.500 . 3.500 2.674 2.194 2.788 . 0 0 "[ . 1 . 2 ]" 1 2963 2 37 ALA MB 2 68 ASP H . . 3.500 3.205 2.976 3.455 . 0 0 "[ . 1 . 2 ]" 1 2964 2 67 ILE MD 2 68 ASP H 4.500 . 4.500 3.981 3.730 4.260 . 0 0 "[ . 1 . 2 ]" 1 2965 2 69 SER H 2 70 ASP H 3.500 . 3.500 3.062 2.943 3.140 . 0 0 "[ . 1 . 2 ]" 1 2966 2 67 ILE H 2 69 SER H 5.500 . 5.500 4.519 4.385 4.627 . 0 0 "[ . 1 . 2 ]" 1 2967 2 68 ASP HA 2 69 SER H 2.800 . 2.800 2.108 2.068 2.177 . 0 0 "[ . 1 . 2 ]" 1 2968 2 69 SER H 2 69 SER QB 2.800 . 2.800 2.576 2.455 2.706 . 0 0 "[ . 1 . 2 ]" 1 2969 2 68 ASP QB 2 69 SER H 4.500 . 4.500 3.964 3.935 4.009 . 0 0 "[ . 1 . 2 ]" 1 2970 2 67 ILE MD 2 69 SER H 4.500 . 4.500 4.572 4.501 5.060 0.560 1 1 "[+ . 1 . 2 ]" 1 2971 2 68 ASP H 2 70 ASP H 5.500 . 5.500 5.165 5.067 5.508 0.008 14 0 "[ . 1 . 2 ]" 1 2972 2 70 ASP H 2 72 LEU H 4.500 . 4.500 3.957 3.679 4.113 . 0 0 "[ . 1 . 2 ]" 1 2973 2 70 ASP H 2 71 ILE H 2.800 . 2.800 2.585 2.366 2.684 . 0 0 "[ . 1 . 2 ]" 1 2974 2 68 ASP HA 2 70 ASP H 3.500 . 3.500 3.553 3.493 3.589 0.089 5 0 "[ . 1 . 2 ]" 1 2975 2 70 ASP H 2 70 ASP HA 2.800 . 2.800 2.873 2.842 2.912 0.112 17 0 "[ . 1 . 2 ]" 1 2976 2 69 SER HA 2 70 ASP H 3.500 . 3.500 3.563 3.552 3.578 0.078 10 0 "[ . 1 . 2 ]" 1 2977 2 69 SER QB 2 70 ASP H 3.500 . 3.500 2.956 2.821 3.090 . 0 0 "[ . 1 . 2 ]" 1 2978 2 70 ASP H 2 73 ASN QB 5.500 . 5.500 5.326 4.967 5.502 0.002 18 0 "[ . 1 . 2 ]" 1 2979 2 70 ASP H 2 70 ASP QB 2.800 . 2.800 2.258 2.228 2.312 . 0 0 "[ . 1 . 2 ]" 1 2980 2 70 ASP H 2 71 ILE HB 5.500 . 5.500 5.278 4.963 5.689 0.189 9 0 "[ . 1 . 2 ]" 1 2981 2 70 ASP H 2 71 ILE QG 4.500 . 4.500 4.416 3.812 4.949 0.449 1 0 "[ . 1 . 2 ]" 1 2982 2 70 ASP H 2 71 ILE MD 5.500 . 5.500 3.345 3.147 3.459 . 0 0 "[ . 1 . 2 ]" 1 2983 2 71 ILE H 2 72 LEU H 3.500 . 3.500 2.014 1.885 2.197 . 0 0 "[ . 1 . 2 ]" 1 2984 2 71 ILE H 2 73 ASN H 5.500 . 5.500 3.773 3.554 4.065 . 0 0 "[ . 1 . 2 ]" 1 2985 2 70 ASP HA 2 71 ILE H 4.500 . 4.500 3.466 3.434 3.508 . 0 0 "[ . 1 . 2 ]" 1 2986 2 69 SER HA 2 71 ILE H 5.500 . 5.500 3.865 3.700 4.112 . 0 0 "[ . 1 . 2 ]" 1 2987 2 69 SER QB 2 71 ILE H 4.500 . 4.500 4.137 4.082 4.252 . 0 0 "[ . 1 . 2 ]" 1 2988 2 70 ASP QB 2 71 ILE H 3.500 . 3.500 3.017 2.872 3.090 . 0 0 "[ . 1 . 2 ]" 1 2989 2 71 ILE H 2 71 ILE HB 3.500 . 3.500 2.909 2.605 3.392 . 0 0 "[ . 1 . 2 ]" 1 2990 2 71 ILE H 2 71 ILE QG 3.500 . 3.500 2.864 2.189 3.267 . 0 0 "[ . 1 . 2 ]" 1 2991 2 71 ILE H 2 71 ILE MD 3.500 . 3.500 2.339 2.138 2.481 . 0 0 "[ . 1 . 2 ]" 1 2992 2 71 ILE H 2 71 ILE MG 4.500 . 4.500 3.887 3.647 4.000 . 0 0 "[ . 1 . 2 ]" 1 2993 2 72 LEU H 2 73 ASN H 3.500 . 3.500 2.902 2.782 2.969 . 0 0 "[ . 1 . 2 ]" 1 2994 2 7 TYR QD 2 72 LEU H 5.500 . 5.500 4.502 4.063 4.920 . 0 0 "[ . 1 . 2 ]" 1 2995 2 69 SER HA 2 72 LEU H 3.500 . 3.500 3.321 3.168 3.519 0.019 10 0 "[ . 1 . 2 ]" 1 2996 2 68 ASP QB 2 72 LEU H 4.500 . 4.500 3.673 3.533 3.854 . 0 0 "[ . 1 . 2 ]" 1 2997 2 72 LEU H 2 72 LEU QB 2.800 . 2.800 2.242 2.159 2.340 . 0 0 "[ . 1 . 2 ]" 1 2998 2 71 ILE HB 2 72 LEU H 3.500 . 3.500 2.818 2.564 3.252 . 0 0 "[ . 1 . 2 ]" 1 2999 2 72 LEU H 2 72 LEU QD 3.500 . 3.500 3.806 3.724 3.884 0.384 1 0 "[ . 1 . 2 ]" 1 3000 2 71 ILE MD 2 72 LEU H . . 4.500 3.525 3.128 4.073 . 0 0 "[ . 1 . 2 ]" 1 3001 2 71 ILE MG 2 72 LEU H 4.500 . 4.500 3.996 3.715 4.394 . 0 0 "[ . 1 . 2 ]" 1 3002 2 73 ASN H 2 74 ASN H 2.800 . 2.800 2.628 2.511 2.757 . 0 0 "[ . 1 . 2 ]" 1 3003 2 73 ASN H 2 75 ALA H 4.500 . 4.500 4.180 4.059 4.310 . 0 0 "[ . 1 . 2 ]" 1 3004 2 73 ASN H 2 73 ASN QD 4.500 . 4.500 2.822 2.523 3.194 . 0 0 "[ . 1 . 2 ]" 1 3005 2 73 ASN H 2 73 ASN HA 2.800 . 2.800 2.842 2.796 2.877 0.077 1 0 "[ . 1 . 2 ]" 1 3006 2 69 SER HA 2 73 ASN H 4.500 . 4.500 2.526 2.062 3.056 . 0 0 "[ . 1 . 2 ]" 1 3007 2 72 LEU HA 2 73 ASN H 4.500 . 4.500 3.648 3.636 3.664 . 0 0 "[ . 1 . 2 ]" 1 3008 2 73 ASN H 2 73 ASN QB 2.800 . 2.800 2.219 2.136 2.300 . 0 0 "[ . 1 . 2 ]" 1 3009 2 72 LEU QB 2 73 ASN H 3.500 . 3.500 2.504 2.318 2.778 . 0 0 "[ . 1 . 2 ]" 1 3010 2 72 LEU QD 2 73 ASN H 3.500 . 3.500 3.140 2.852 3.522 0.022 6 0 "[ . 1 . 2 ]" 1 3011 2 72 LEU H 2 74 ASN H 5.500 . 5.500 3.914 3.633 4.186 . 0 0 "[ . 1 . 2 ]" 1 3012 2 74 ASN H 2 75 ALA H 2.800 . 2.800 2.503 2.382 2.602 . 0 0 "[ . 1 . 2 ]" 1 3013 2 74 ASN H 2 74 ASN QD 4.500 . 4.500 3.707 3.235 4.161 . 0 0 "[ . 1 . 2 ]" 1 3014 2 74 ASN H 2 74 ASN HA 2.800 . 2.800 2.894 2.859 2.952 0.152 1 0 "[ . 1 . 2 ]" 1 3015 2 73 ASN HA 2 74 ASN H 3.500 . 3.500 3.479 3.431 3.522 0.022 10 0 "[ . 1 . 2 ]" 1 3016 2 69 SER HA 2 74 ASN H 5.500 . 5.500 4.429 4.105 4.640 . 0 0 "[ . 1 . 2 ]" 1 3017 2 72 LEU HA 2 74 ASN H 5.500 . 5.500 4.061 3.886 4.228 . 0 0 "[ . 1 . 2 ]" 1 3018 2 71 ILE HA 2 74 ASN H 4.500 . 4.500 3.390 3.272 3.577 . 0 0 "[ . 1 . 2 ]" 1 3019 2 73 ASN QB 2 74 ASN H 2.800 . 2.800 2.122 2.010 2.254 . 0 0 "[ . 1 . 2 ]" 1 3020 2 74 ASN H 2 74 ASN QB 2.800 . 2.800 2.138 2.022 2.275 . 0 0 "[ . 1 . 2 ]" 1 3021 2 71 ILE HB 2 74 ASN H 4.500 . 4.500 3.996 3.917 4.067 . 0 0 "[ . 1 . 2 ]" 1 3022 2 5 ILE MG 2 74 ASN H 4.500 . 4.500 4.152 3.977 4.300 . 0 0 "[ . 1 . 2 ]" 1 3023 2 71 ILE MG 2 74 ASN H 5.500 . 5.500 4.711 4.443 5.007 . 0 0 "[ . 1 . 2 ]" 1 3024 2 72 LEU QB 2 74 ASN H 5.500 . 5.500 4.333 4.188 4.475 . 0 0 "[ . 1 . 2 ]" 1 3025 2 75 ALA H 2 76 ASP H . . 4.500 4.589 4.568 4.623 0.123 1 0 "[ . 1 . 2 ]" 1 3026 2 74 ASN HA 2 75 ALA H 3.500 . 3.500 3.499 3.434 3.536 0.036 19 0 "[ . 1 . 2 ]" 1 3027 2 73 ASN HA 2 75 ALA H 4.500 . 4.500 4.025 3.737 4.239 . 0 0 "[ . 1 . 2 ]" 1 3028 2 72 LEU HA 2 75 ALA H 5.500 . 5.500 3.360 3.084 3.581 . 0 0 "[ . 1 . 2 ]" 1 3029 2 73 ASN QB 2 75 ALA H 3.500 . 3.500 3.100 2.873 3.294 . 0 0 "[ . 1 . 2 ]" 1 3030 2 74 ASN QB 2 75 ALA H . . 3.500 3.129 2.888 3.336 . 0 0 "[ . 1 . 2 ]" 1 3031 2 5 ILE HB 2 75 ALA H 4.500 . 4.500 4.381 4.170 4.519 0.019 7 0 "[ . 1 . 2 ]" 1 3032 2 75 ALA H 2 75 ALA MB 2.800 . 2.800 2.205 2.168 2.242 . 0 0 "[ . 1 . 2 ]" 1 3033 2 5 ILE MG 2 75 ALA H 3.500 . 3.500 3.384 3.215 3.511 0.011 18 0 "[ . 1 . 2 ]" 1 3034 2 75 ALA H 2 96 VAL QG 4.500 . 4.500 3.243 2.809 3.541 . 0 0 "[ . 1 . 2 ]" 1 3035 2 71 ILE MG 2 75 ALA H 5.500 . 5.500 4.528 4.131 5.264 . 0 0 "[ . 1 . 2 ]" 1 3036 2 76 ASP H 2 77 LEU H . . 2.800 2.242 2.177 2.326 . 0 0 "[ . 1 . 2 ]" 1 3037 2 6 ILE HA 2 76 ASP H 5.500 . 5.500 3.289 3.031 3.595 . 0 0 "[ . 1 . 2 ]" 1 3038 2 75 ALA HA 2 76 ASP H 2.800 . 2.800 2.345 2.234 2.450 . 0 0 "[ . 1 . 2 ]" 1 3039 2 5 ILE HB 2 76 ASP H 3.500 . 3.500 3.359 3.008 3.706 0.206 1 0 "[ . 1 . 2 ]" 1 3040 2 75 ALA MB 2 76 ASP H 3.500 . 3.500 2.378 2.268 2.500 . 0 0 "[ . 1 . 2 ]" 1 3041 2 5 ILE MG 2 76 ASP H 3.500 . 3.500 3.577 3.451 3.977 0.477 1 0 "[ . 1 . 2 ]" 1 3042 2 5 ILE H 2 77 LEU H 5.500 . 5.500 5.529 5.345 6.039 0.539 1 1 "[+ . 1 . 2 ]" 1 3043 2 7 TYR H 2 77 LEU H 4.500 . 4.500 3.827 3.524 4.043 . 0 0 "[ . 1 . 2 ]" 1 3044 2 75 ALA H 2 77 LEU H 5.500 . 5.500 5.454 5.210 5.548 0.048 6 0 "[ . 1 . 2 ]" 1 3045 2 6 ILE HA 2 77 LEU H 3.500 . 3.500 2.709 2.594 2.855 . 0 0 "[ . 1 . 2 ]" 1 3046 2 77 LEU H 2 77 LEU HA 2.800 . 2.800 2.922 2.875 2.973 0.173 1 0 "[ . 1 . 2 ]" 1 3047 2 75 ALA HA 2 77 LEU H 4.500 . 4.500 4.036 3.858 4.184 . 0 0 "[ . 1 . 2 ]" 1 3048 2 5 ILE HB 2 77 LEU H 5.500 . 5.500 5.376 5.085 5.561 0.061 1 0 "[ . 1 . 2 ]" 1 3049 2 77 LEU H 2 77 LEU QB 3.500 . 3.500 2.607 2.477 2.818 . 0 0 "[ . 1 . 2 ]" 1 3050 2 75 ALA MB 2 77 LEU H 3.500 . 3.500 2.426 2.289 2.560 . 0 0 "[ . 1 . 2 ]" 1 3051 2 5 ILE MG 2 77 LEU H 3.500 . 3.500 3.318 3.067 3.501 0.001 20 0 "[ . 1 . 2 ]" 1 3052 2 77 LEU H 2 96 VAL QG 3.500 . 3.500 3.034 2.819 3.502 0.002 18 0 "[ . 1 . 2 ]" 1 3053 2 78 VAL H 2 78 VAL QG 3.500 . 3.500 2.403 2.229 2.670 . 0 0 "[ . 1 . 2 ]" 1 3054 2 77 LEU HG 2 78 VAL H 4.500 . 4.500 3.836 2.871 4.975 0.475 1 0 "[ . 1 . 2 ]" 1 3055 2 78 VAL H 2 78 VAL QG 3.500 . 3.500 2.566 2.376 2.805 . 0 0 "[ . 1 . 2 ]" 1 3056 2 78 VAL H 2 98 ARG QB 5.500 . 5.500 3.408 3.267 3.647 . 0 0 "[ . 1 . 2 ]" 1 3057 2 77 LEU QB 2 78 VAL H 4.500 . 4.500 3.565 2.778 3.830 . 0 0 "[ . 1 . 2 ]" 1 3058 2 78 VAL H 2 78 VAL HB 3.500 . 3.500 2.667 2.534 2.818 . 0 0 "[ . 1 . 2 ]" 1 3059 2 78 VAL H 2 97 LYS QB 5.500 . 5.500 4.022 3.787 4.476 . 0 0 "[ . 1 . 2 ]" 1 3060 2 77 LEU HA 2 78 VAL H 2.800 . 2.800 2.189 2.132 2.244 . 0 0 "[ . 1 . 2 ]" 1 3061 2 7 TYR H 2 78 VAL H 4.500 . 4.500 3.943 3.782 4.039 . 0 0 "[ . 1 . 2 ]" 1 3062 2 78 VAL QG 2 79 VAL H 3.500 . 3.500 3.079 2.905 3.336 . 0 0 "[ . 1 . 2 ]" 1 3063 2 79 VAL H 2 79 VAL HB 3.500 . 3.500 2.563 2.320 3.420 . 0 0 "[ . 1 . 2 ]" 1 3064 2 78 VAL HB 2 79 VAL H 5.500 . 5.500 4.388 4.256 4.561 . 0 0 "[ . 1 . 2 ]" 1 3065 2 7 TYR QB 2 79 VAL H 5.500 . 5.500 3.803 3.495 4.289 . 0 0 "[ . 1 . 2 ]" 1 3066 2 78 VAL HA 2 79 VAL H 2.800 . 2.800 2.119 2.049 2.234 . 0 0 "[ . 1 . 2 ]" 1 3067 2 8 PHE HA 2 79 VAL H 4.500 . 4.500 3.021 2.645 3.363 . 0 0 "[ . 1 . 2 ]" 1 3068 2 6 ILE HA 2 79 VAL H 5.500 . 5.500 5.469 5.250 5.703 0.203 1 0 "[ . 1 . 2 ]" 1 3069 2 8 PHE QD 2 79 VAL H 5.500 . 5.500 3.762 2.759 4.606 . 0 0 "[ . 1 . 2 ]" 1 3070 2 78 VAL H 2 79 VAL H 4.500 . 4.500 3.743 3.618 3.822 . 0 0 "[ . 1 . 2 ]" 1 3071 2 80 THR H 2 99 GLU H 4.500 . 4.500 3.283 3.069 3.501 . 0 0 "[ . 1 . 2 ]" 1 3072 2 80 THR H 2 100 HIS HA 3.500 . 3.500 2.706 2.347 3.169 . 0 0 "[ . 1 . 2 ]" 1 3073 2 78 VAL HA 2 80 THR H 5.500 . 5.500 5.332 5.150 5.498 . 0 0 "[ . 1 . 2 ]" 1 3074 2 79 VAL HA 2 80 THR H 2.800 . 2.800 2.249 2.117 2.343 . 0 0 "[ . 1 . 2 ]" 1 3075 2 80 THR H 2 99 GLU HA 5.500 . 5.500 4.949 4.835 5.108 . 0 0 "[ . 1 . 2 ]" 1 3076 2 78 VAL HB 2 80 THR H 5.500 . 5.500 5.045 4.818 5.414 . 0 0 "[ . 1 . 2 ]" 1 3077 2 80 THR H 2 80 THR MG 3.500 . 3.500 3.082 2.818 3.265 . 0 0 "[ . 1 . 2 ]" 1 3078 2 81 LEU H 2 82 SER H 4.500 . 4.500 3.199 2.451 4.401 . 0 0 "[ . 1 . 2 ]" 1 3079 2 82 SER H 2 83 GLY H 4.500 . 4.500 3.522 1.747 4.561 0.061 10 0 "[ . 1 . 2 ]" 1 3080 2 81 LEU HA 2 82 SER H 4.500 . 4.500 2.679 2.001 3.603 . 0 0 "[ . 1 . 2 ]" 1 3081 2 80 THR HA 2 82 SER H 5.500 . 5.500 4.693 4.000 6.002 0.502 9 1 "[ . +1 . 2 ]" 1 3082 2 82 SER H 2 82 SER HA 2.800 . 2.800 2.764 2.222 2.961 0.161 5 0 "[ . 1 . 2 ]" 1 3083 2 82 SER H 2 82 SER QB 3.500 . 3.500 3.097 2.440 3.532 0.032 9 0 "[ . 1 . 2 ]" 1 3084 2 81 LEU QB 2 82 SER H 5.500 . 5.500 3.766 2.518 4.095 . 0 0 "[ . 1 . 2 ]" 1 3085 2 80 THR MG 2 82 SER H 4.500 . 4.500 3.114 2.161 4.542 0.042 9 0 "[ . 1 . 2 ]" 1 3086 2 62 GLN QE 2 63 THR H 5.500 . 5.500 5.000 4.006 5.585 0.085 14 0 "[ . 1 . 2 ]" 1 3087 2 83 GLY H 2 84 ASP H 5.500 . 5.500 2.863 1.974 4.277 . 0 0 "[ . 1 . 2 ]" 1 3088 2 82 SER HA 2 83 GLY H 3.500 . 3.500 2.986 2.409 3.586 0.086 5 0 "[ . 1 . 2 ]" 1 3089 2 83 GLY H 2 84 ASP HA 4.500 . 4.500 4.557 4.375 4.736 0.236 14 0 "[ . 1 . 2 ]" 1 3090 2 59 ILE HB 2 62 GLN QE 4.500 . 4.500 2.744 1.706 3.616 0.094 16 0 "[ . 1 . 2 ]" 1 3091 2 44 LEU QD 2 62 GLN QE . . 4.500 2.383 2.093 2.835 . 0 0 "[ . 1 . 2 ]" 1 3092 2 130 ARG H 2 132 LYS H 5.500 . 5.500 4.208 4.099 4.286 . 0 0 "[ . 1 . 2 ]" 1 3093 2 132 LYS H 2 133 GLU H 3.500 . 3.500 2.762 2.666 2.836 . 0 0 "[ . 1 . 2 ]" 1 3094 2 26 GLN QE 2 132 LYS H 5.500 . 5.500 4.951 4.262 5.515 0.015 16 0 "[ . 1 . 2 ]" 1 3095 2 129 ASN HA 2 132 LYS H 3.500 . 3.500 3.514 3.379 3.606 0.106 1 0 "[ . 1 . 2 ]" 1 3096 2 84 ASP QB 2 85 ALA H 2.800 . 2.800 2.715 2.323 2.809 0.009 5 0 "[ . 1 . 2 ]" 1 3097 2 128 GLY QA 2 132 LYS H 3.500 . 3.500 2.786 2.573 2.932 . 0 0 "[ . 1 . 2 ]" 1 3098 2 132 LYS H 2 132 LYS QB 2.800 . 2.800 2.170 2.080 2.294 . 0 0 "[ . 1 . 2 ]" 1 3099 2 85 ALA H 2 85 ALA MB 2.800 . 2.800 2.285 2.116 2.581 . 0 0 "[ . 1 . 2 ]" 1 3100 2 132 LYS H 2 132 LYS QG . . 4.500 3.754 2.817 3.967 . 0 0 "[ . 1 . 2 ]" 1 3101 2 86 ALA HA 2 87 ASP H 3.500 . 3.500 3.374 2.544 3.513 0.013 2 0 "[ . 1 . 2 ]" 1 3102 2 87 ASP H 2 88 LYS H 3.500 . 3.500 3.208 2.483 3.770 0.270 20 0 "[ . 1 . 2 ]" 1 3103 2 87 ASP HA 2 88 LYS H 3.500 . 3.500 3.106 2.707 3.416 . 0 0 "[ . 1 . 2 ]" 1 3104 2 86 ALA HA 2 88 LYS H 5.500 . 5.500 3.597 3.266 4.959 . 0 0 "[ . 1 . 2 ]" 1 3105 2 86 ALA MB 2 88 LYS H 4.500 . 4.500 4.241 4.056 4.676 0.176 20 0 "[ . 1 . 2 ]" 1 3106 2 88 LYS H 2 88 LYS QB 3.500 . 3.500 2.949 2.660 3.149 . 0 0 "[ . 1 . 2 ]" 1 3107 2 88 LYS HA 2 89 CYS H 3.500 . 3.500 2.966 2.763 3.202 . 0 0 "[ . 1 . 2 ]" 1 3108 2 89 CYS H 2 89 CYS QB 3.500 . 3.500 3.183 2.774 3.376 . 0 0 "[ . 1 . 2 ]" 1 3109 2 88 LYS QB 2 89 CYS H 4.500 . 4.500 3.595 1.782 4.091 0.018 11 0 "[ . 1 . 2 ]" 1 3110 2 117 TRP H 2 119 PHE H 4.500 . 4.500 4.391 4.321 4.455 . 0 0 "[ . 1 . 2 ]" 1 3111 2 119 PHE H 2 120 PHE H 2.800 . 2.800 2.681 2.620 2.765 . 0 0 "[ . 1 . 2 ]" 1 3112 2 117 TRP HA 2 119 PHE H 4.500 . 4.500 4.501 4.404 4.538 0.038 14 0 "[ . 1 . 2 ]" 1 3113 2 118 ALA HA 2 119 PHE H 3.500 . 3.500 3.600 3.582 3.614 0.114 1 0 "[ . 1 . 2 ]" 1 3114 2 119 PHE H 2 119 PHE HA 2.800 . 2.800 2.874 2.862 2.881 0.081 10 0 "[ . 1 . 2 ]" 1 3115 2 116 LYS HA 2 119 PHE H 3.500 . 3.500 3.610 3.556 3.655 0.155 6 0 "[ . 1 . 2 ]" 1 3116 2 109 ALA HA 2 119 PHE H 5.500 . 5.500 4.612 4.247 4.833 . 0 0 "[ . 1 . 2 ]" 1 3117 2 119 PHE H 2 119 PHE QB 2.800 . 2.800 2.206 2.150 2.297 . 0 0 "[ . 1 . 2 ]" 1 3118 2 119 PHE H 2 121 GLN QB 5.500 . 5.500 4.884 4.714 5.571 0.071 4 0 "[ . 1 . 2 ]" 1 3119 2 118 ALA MB 2 119 PHE H 2.800 . 2.800 2.562 2.509 2.610 . 0 0 "[ . 1 . 2 ]" 1 3120 2 109 ALA MB 2 119 PHE H 4.500 . 4.500 3.602 3.463 4.076 . 0 0 "[ . 1 . 2 ]" 1 3121 2 72 LEU QD 2 92 THR H 3.500 . 3.500 2.525 2.300 2.890 . 0 0 "[ . 1 . 2 ]" 1 3122 2 91 MET QB 2 92 THR H 4.500 . 4.500 3.967 3.701 4.038 . 0 0 "[ . 1 . 2 ]" 1 3123 2 90 PRO QB 2 92 THR H 4.500 . 4.500 2.956 2.606 3.097 . 0 0 "[ . 1 . 2 ]" 1 3124 2 91 MET QG 2 92 THR H 4.500 . 4.500 3.634 3.054 3.875 . 0 0 "[ . 1 . 2 ]" 1 3125 2 91 MET HA 2 92 THR H 3.500 . 3.500 3.285 3.174 3.454 . 0 0 "[ . 1 . 2 ]" 1 3126 2 95 HIS H 2 96 VAL H 3.500 . 3.500 2.655 2.497 2.845 . 0 0 "[ . 1 . 2 ]" 1 3127 2 94 PRO HA 2 95 HIS H 4.500 . 4.500 3.314 3.189 3.466 . 0 0 "[ . 1 . 2 ]" 1 3128 2 94 PRO QD 2 95 HIS H 5.500 . 5.500 3.409 3.192 3.594 . 0 0 "[ . 1 . 2 ]" 1 3129 2 94 PRO QG 2 95 HIS H 5.500 . 5.500 3.519 3.207 4.464 . 0 0 "[ . 1 . 2 ]" 1 3130 2 96 VAL H 2 97 LYS H 4.500 . 4.500 4.470 4.364 4.523 0.023 11 0 "[ . 1 . 2 ]" 1 3131 2 95 HIS HA 2 96 VAL H 3.500 . 3.500 3.442 3.137 3.544 0.044 11 0 "[ . 1 . 2 ]" 1 3132 2 94 PRO HA 2 96 VAL H 4.500 . 4.500 3.089 2.911 3.309 . 0 0 "[ . 1 . 2 ]" 1 3133 2 93 PRO QB 2 96 VAL H 4.500 . 4.500 4.180 3.580 4.512 0.012 21 0 "[ . 1 . 2 ]" 1 3134 2 96 VAL H 2 96 VAL HB 3.500 . 3.500 3.001 2.711 3.584 0.084 2 0 "[ . 1 . 2 ]" 1 3135 2 96 VAL H 2 96 VAL QG . . 2.800 2.387 1.996 2.740 . 0 0 "[ . 1 . 2 ]" 1 3136 2 96 VAL HA 2 97 LYS H 2.800 . 2.800 2.297 2.193 2.358 . 0 0 "[ . 1 . 2 ]" 1 3137 2 97 LYS H 2 97 LYS QB 2.800 . 2.800 2.214 1.941 2.276 . 0 0 "[ . 1 . 2 ]" 1 3138 2 97 LYS H 2 97 LYS QD 4.500 . 4.500 4.549 4.373 4.746 0.246 1 0 "[ . 1 . 2 ]" 1 3139 2 76 ASP QB 2 97 LYS H 4.500 . 4.500 3.851 3.190 3.934 . 0 0 "[ . 1 . 2 ]" 1 3140 2 96 VAL QG 2 97 LYS H 3.500 . 3.500 2.416 2.123 3.247 . 0 0 "[ . 1 . 2 ]" 1 3141 2 98 ARG H 2 99 GLU H 5.500 . 5.500 4.309 4.220 4.381 . 0 0 "[ . 1 . 2 ]" 1 3142 2 97 LYS HA 2 98 ARG H 2.800 . 2.800 2.427 2.359 2.482 . 0 0 "[ . 1 . 2 ]" 1 3143 2 97 LYS QB 2 98 ARG H 3.500 . 3.500 3.513 3.312 3.579 0.079 11 0 "[ . 1 . 2 ]" 1 3144 2 97 LYS QD 2 98 ARG H . . 2.800 2.698 2.443 2.856 0.056 14 0 "[ . 1 . 2 ]" 1 3145 2 97 LYS QG 2 98 ARG H . . 3.500 2.375 2.089 3.337 . 0 0 "[ . 1 . 2 ]" 1 3146 2 98 ARG H 2 98 ARG QB 2.800 . 2.800 2.734 2.636 2.807 0.007 2 0 "[ . 1 . 2 ]" 1 3147 2 98 ARG H 2 98 ARG QG 4.500 . 4.500 4.242 4.203 4.315 . 0 0 "[ . 1 . 2 ]" 1 3148 2 77 LEU QD 2 98 ARG H 4.500 . 4.500 3.447 3.270 3.907 . 0 0 "[ . 1 . 2 ]" 1 3149 2 116 LYS H 2 117 TRP H 3.500 . 3.500 2.861 2.686 2.952 . 0 0 "[ . 1 . 2 ]" 1 3150 2 78 VAL H 2 99 GLU H 4.500 . 4.500 3.158 3.000 3.324 . 0 0 "[ . 1 . 2 ]" 1 3151 2 98 ARG H 2 99 GLU H 5.500 . 5.500 4.038 3.982 4.108 . 0 0 "[ . 1 . 2 ]" 1 3152 2 117 TRP H 2 118 ALA H 2.800 . 2.800 2.733 2.680 2.872 0.072 1 0 "[ . 1 . 2 ]" 1 3153 2 117 TRP H 2 117 TRP HD1 5.500 . 5.500 4.929 4.798 5.098 . 0 0 "[ . 1 . 2 ]" 1 3154 2 80 THR HB 2 99 GLU H 3.500 . 3.500 3.538 3.505 3.599 0.099 1 0 "[ . 1 . 2 ]" 1 3155 2 116 LYS HA 2 117 TRP H 3.500 . 3.500 3.595 3.573 3.647 0.147 1 0 "[ . 1 . 2 ]" 1 3156 2 117 TRP H 2 117 TRP QB 2.800 . 2.800 2.242 2.177 2.313 . 0 0 "[ . 1 . 2 ]" 1 3157 2 99 GLU H 2 99 GLU QB 3.500 . 3.500 2.814 2.718 2.915 . 0 0 "[ . 1 . 2 ]" 1 3158 2 116 LYS QB 2 117 TRP H 3.500 . 3.500 2.395 2.292 2.575 . 0 0 "[ . 1 . 2 ]" 1 3159 2 78 VAL HB 2 99 GLU H 5.500 . 5.500 4.359 4.072 4.944 . 0 0 "[ . 1 . 2 ]" 1 3160 2 97 LYS QG 2 99 GLU H 4.500 . 4.500 4.176 3.903 4.383 . 0 0 "[ . 1 . 2 ]" 1 3161 2 112 THR MG 2 117 TRP H 4.500 . 4.500 4.089 3.874 4.305 . 0 0 "[ . 1 . 2 ]" 1 3162 2 98 ARG QB 2 99 GLU H 3.500 . 3.500 2.220 1.998 2.344 . 0 0 "[ . 1 . 2 ]" 1 3163 2 77 LEU HG 2 99 GLU H 4.500 . 4.500 3.952 3.748 4.281 . 0 0 "[ . 1 . 2 ]" 1 3164 2 77 LEU QD 2 99 GLU H 5.500 . 5.500 2.699 2.384 3.362 . 0 0 "[ . 1 . 2 ]" 1 3165 2 79 VAL QG 2 99 GLU H 4.500 . 4.500 4.150 3.913 4.505 0.005 15 0 "[ . 1 . 2 ]" 1 3166 2 100 HIS H 2 101 TRP HD1 4.500 . 4.500 4.229 3.508 4.581 0.081 19 0 "[ . 1 . 2 ]" 1 3167 2 99 GLU HA 2 100 HIS H 2.800 . 2.800 2.344 2.197 2.450 . 0 0 "[ . 1 . 2 ]" 1 3168 2 100 HIS H 2 100 HIS QB 3.500 . 3.500 2.739 2.342 3.114 . 0 0 "[ . 1 . 2 ]" 1 3169 2 99 GLU QB 2 100 HIS H 4.500 . 4.500 3.205 2.565 3.711 . 0 0 "[ . 1 . 2 ]" 1 3170 2 98 ARG QG 2 100 HIS H 4.500 . 4.500 4.563 4.511 4.771 0.271 1 0 "[ . 1 . 2 ]" 1 3171 2 79 VAL QG 2 100 HIS H 5.500 . 5.500 5.320 4.977 5.539 0.039 14 0 "[ . 1 . 2 ]" 1 3172 2 100 HIS H 2 101 TRP H 5.500 . 5.500 4.453 4.109 4.582 . 0 0 "[ . 1 . 2 ]" 1 3173 2 101 TRP H 2 101 TRP HD1 4.500 . 4.500 3.363 2.575 3.836 . 0 0 "[ . 1 . 2 ]" 1 3174 2 81 LEU HA 2 101 TRP H 5.500 . 5.500 3.335 2.782 3.574 . 0 0 "[ . 1 . 2 ]" 1 3175 2 100 HIS HA 2 101 TRP H 2.800 . 2.800 2.167 2.100 2.231 . 0 0 "[ . 1 . 2 ]" 1 3176 2 100 HIS QB 2 101 TRP H 3.500 . 3.500 3.131 2.912 3.463 . 0 0 "[ . 1 . 2 ]" 1 3177 2 81 LEU QD 2 101 TRP H 5.500 . 5.500 3.774 2.739 5.193 . 0 0 "[ . 1 . 2 ]" 1 3178 2 101 TRP H 2 102 GLY H 5.500 . 5.500 2.134 1.818 2.534 . 0 0 "[ . 1 . 2 ]" 1 3179 2 101 TRP HA 2 102 GLY H 3.500 . 3.500 3.286 2.764 3.601 0.101 10 0 "[ . 1 . 2 ]" 1 3180 2 82 SER HA 2 102 GLY H 5.500 . 5.500 5.216 4.049 5.583 0.083 4 0 "[ . 1 . 2 ]" 1 3181 2 100 HIS QB 2 102 GLY H 4.500 . 4.500 3.341 2.805 4.379 . 0 0 "[ . 1 . 2 ]" 1 3182 2 82 SER H 2 103 PHE H 4.500 . 4.500 4.562 3.327 5.527 1.027 1 1 "[+ . 1 . 2 ]" 1 3183 2 82 SER HA 2 103 PHE H 4.500 . 4.500 3.957 3.074 4.519 0.019 3 0 "[ . 1 . 2 ]" 1 3184 2 102 GLY QA 2 103 PHE H 3.500 . 3.500 2.297 2.089 2.625 . 0 0 "[ . 1 . 2 ]" 1 3185 2 104 ASP H 2 105 ASP H 4.500 . 4.500 4.197 2.889 4.363 . 0 0 "[ . 1 . 2 ]" 1 3186 2 103 PHE HA 2 104 ASP H 2.800 . 2.800 3.156 2.476 3.532 0.732 5 8 "[* +** 1 * . - ** ]" 1 3187 2 82 SER HA 2 104 ASP H 5.500 . 5.500 3.313 2.313 5.543 0.043 16 0 "[ . 1 . 2 ]" 1 3188 2 103 PHE QB 2 104 ASP H 4.500 . 4.500 3.592 2.524 4.094 . 0 0 "[ . 1 . 2 ]" 1 3189 2 104 ASP H 2 104 ASP QB 3.500 . 3.500 2.835 2.514 3.296 . 0 0 "[ . 1 . 2 ]" 1 3190 2 104 ASP H 2 123 VAL QG 4.500 . 4.500 4.175 3.207 5.057 0.557 16 1 "[ . 1 .+ 2 ]" 1 3191 2 82 SER HA 2 105 ASP H 5.500 . 5.500 5.381 4.446 6.000 0.500 1 1 "[+ . 1 . 2 ]" 1 3192 2 104 ASP HA 2 105 ASP H 2.800 . 2.800 2.386 2.253 2.447 . 0 0 "[ . 1 . 2 ]" 1 3193 2 126 GLU H 2 127 ILE H . . 3.500 2.756 2.653 2.888 . 0 0 "[ . 1 . 2 ]" 1 3194 2 45 ASN QD 2 107 ALA H 4.500 . 4.500 4.592 4.320 5.121 0.621 1 1 "[+ . 1 . 2 ]" 1 3195 2 47 ASN QD 2 107 ALA H 4.500 . 4.500 4.092 3.857 4.711 0.211 17 0 "[ . 1 . 2 ]" 1 3196 2 107 ALA H 2 108 ARG H 2.800 . 2.800 2.693 2.392 2.838 0.038 17 0 "[ . 1 . 2 ]" 1 3197 2 107 ALA H 2 109 ALA H 4.500 . 4.500 4.468 4.252 4.574 0.074 17 0 "[ . 1 . 2 ]" 1 3198 2 107 ALA H 2 107 ALA HA 2.800 . 2.800 2.850 2.715 2.895 0.095 1 0 "[ . 1 . 2 ]" 1 3199 2 106 PRO HA 2 107 ALA H 3.500 . 3.500 2.496 2.326 2.621 . 0 0 "[ . 1 . 2 ]" 1 3200 2 16 ARG QG 2 107 ALA H 4.500 . 4.500 4.117 3.108 4.597 0.097 7 0 "[ . 1 . 2 ]" 1 3201 2 15 ALA MB 2 107 ALA H 3.500 . 3.500 3.201 2.579 3.774 0.274 14 0 "[ . 1 . 2 ]" 1 3202 2 107 ALA H 2 107 ALA MB 2.800 . 2.800 1.956 1.863 2.027 . 0 0 "[ . 1 . 2 ]" 1 3203 2 106 PRO QG 2 107 ALA H 3.500 . 3.500 2.767 2.351 3.017 . 0 0 "[ . 1 . 2 ]" 1 3204 2 106 PRO QB 2 107 ALA H 4.500 . 4.500 2.676 2.307 2.886 . 0 0 "[ . 1 . 2 ]" 1 3205 2 127 ILE H 2 127 ILE QG 4.500 . 4.500 2.641 2.335 3.484 . 0 0 "[ . 1 . 2 ]" 1 3206 2 107 ALA H 2 123 VAL QG 5.500 . 5.500 3.500 3.244 3.659 . 0 0 "[ . 1 . 2 ]" 1 3207 2 127 ILE H 2 127 ILE MD 3.500 . 3.500 3.284 2.974 3.372 . 0 0 "[ . 1 . 2 ]" 1 3208 2 106 PRO QB 2 107 ALA H 5.500 . 5.500 3.569 3.346 3.752 . 0 0 "[ . 1 . 2 ]" 1 3209 2 108 ARG H 2 109 ALA H 2.800 . 2.800 2.295 2.070 2.622 . 0 0 "[ . 1 . 2 ]" 1 3210 2 107 ALA HA 2 108 ARG H 2.800 . 2.800 2.780 2.721 2.816 0.016 9 0 "[ . 1 . 2 ]" 1 3211 2 106 PRO HA 2 108 ARG H 5.500 . 5.500 3.151 2.933 3.416 . 0 0 "[ . 1 . 2 ]" 1 3212 2 108 ARG H 2 108 ARG QD . . 3.500 3.563 3.462 3.866 0.366 15 0 "[ . 1 . 2 ]" 1 3213 2 105 ASP QB 2 108 ARG H 4.500 . 4.500 4.046 3.592 4.337 . 0 0 "[ . 1 . 2 ]" 1 3214 2 108 ARG H 2 108 ARG QB . . 2.800 2.692 2.510 2.825 0.025 6 0 "[ . 1 . 2 ]" 1 3215 2 107 ALA MB 2 108 ARG H 3.500 . 3.500 2.418 2.075 2.626 . 0 0 "[ . 1 . 2 ]" 1 3216 2 108 ARG H 2 109 ALA MB 5.500 . 5.500 3.931 3.570 4.250 . 0 0 "[ . 1 . 2 ]" 1 3217 2 109 ALA H 2 110 GLN H 4.500 . 4.500 4.603 4.549 4.661 0.161 1 0 "[ . 1 . 2 ]" 1 3218 2 107 ALA HA 2 109 ALA H 3.500 . 3.500 3.097 2.951 3.517 0.017 3 0 "[ . 1 . 2 ]" 1 3219 2 106 PRO HA 2 109 ALA H 4.500 . 4.500 3.612 3.168 4.126 . 0 0 "[ . 1 . 2 ]" 1 3220 2 108 ARG QB 2 109 ALA H . . 3.500 3.316 2.108 3.773 0.273 1 0 "[ . 1 . 2 ]" 1 3221 2 107 ALA MB 2 109 ALA H 4.500 . 4.500 3.897 3.435 4.063 . 0 0 "[ . 1 . 2 ]" 1 3222 2 109 ALA H 2 109 ALA MB 2.800 . 2.800 2.300 2.167 2.774 . 0 0 "[ . 1 . 2 ]" 1 3223 2 110 GLN H 2 111 GLY QA 4.500 . 4.500 4.541 4.273 4.662 0.162 12 0 "[ . 1 . 2 ]" 1 3224 2 109 ALA HA 2 110 GLN H 2.800 . 2.800 2.330 2.173 2.743 . 0 0 "[ . 1 . 2 ]" 1 3225 2 110 GLN H 2 110 GLN QG 4.500 . 4.500 4.039 3.950 4.151 . 0 0 "[ . 1 . 2 ]" 1 3226 2 110 GLN H 2 110 GLN QB . . 2.800 2.276 2.171 2.479 . 0 0 "[ . 1 . 2 ]" 1 3227 2 109 ALA MB 2 110 GLN H 3.500 . 3.500 2.514 1.921 3.027 . 0 0 "[ . 1 . 2 ]" 1 3228 2 110 GLN H 2 110 GLN QE 5.500 . 5.500 5.002 4.836 5.497 . 0 0 "[ . 1 . 2 ]" 1 3229 2 111 GLY H 2 112 THR H 4.500 . 4.500 2.541 2.247 3.688 . 0 0 "[ . 1 . 2 ]" 1 3230 2 111 GLY H 2 111 GLY QA 2.800 . 2.800 2.337 2.218 2.410 . 0 0 "[ . 1 . 2 ]" 1 3231 2 110 GLN HA 2 111 GLY H 3.500 . 3.500 3.376 2.234 3.590 0.090 17 0 "[ . 1 . 2 ]" 1 3232 2 110 GLN QG 2 111 GLY H 4.500 . 4.500 3.675 2.806 4.334 . 0 0 "[ . 1 . 2 ]" 1 3233 2 110 GLN QB 2 111 GLY H 3.500 . 3.500 2.779 2.523 3.598 0.098 14 0 "[ . 1 . 2 ]" 1 3234 2 112 THR H 2 113 GLU H 5.500 . 5.500 4.601 4.304 4.657 . 0 0 "[ . 1 . 2 ]" 1 3235 2 112 THR H 2 115 GLU H 3.500 . 3.500 3.604 3.500 3.823 0.323 1 0 "[ . 1 . 2 ]" 1 3236 2 111 GLY QA 2 112 THR H 2.800 . 2.800 2.846 2.515 3.017 0.217 1 0 "[ . 1 . 2 ]" 1 3237 2 112 THR H 2 115 GLU QB 2.800 . 2.800 2.433 2.310 2.618 . 0 0 "[ . 1 . 2 ]" 1 3238 2 112 THR H 2 112 THR MG 2.800 . 2.800 2.195 2.026 2.604 . 0 0 "[ . 1 . 2 ]" 1 3239 2 113 GLU H 2 114 GLU H 2.800 . 2.800 2.727 2.648 2.884 0.084 7 0 "[ . 1 . 2 ]" 1 3240 2 42 HIS H 2 42 HIS HA 2.800 . 2.800 2.327 2.217 2.571 . 0 0 "[ . 1 . 2 ]" 1 3241 2 42 HIS H 2 43 GLY QA 3.500 . 3.500 3.508 3.234 3.660 0.160 1 0 "[ . 1 . 2 ]" 1 3242 2 112 THR HA 2 113 GLU H 2.800 . 2.800 2.413 2.289 2.460 . 0 0 "[ . 1 . 2 ]" 1 3243 2 113 GLU H 2 113 GLU QG 2.800 . 2.800 1.995 1.866 2.092 . 0 0 "[ . 1 . 2 ]" 1 3244 2 113 GLU H 2 113 GLU QB 2.800 . 2.800 2.441 2.346 2.480 . 0 0 "[ . 1 . 2 ]" 1 3245 2 112 THR MG 2 113 GLU H 4.500 . 4.500 3.716 3.502 3.804 . 0 0 "[ . 1 . 2 ]" 1 3246 2 114 GLU H 2 115 GLU H 2.800 . 2.800 2.585 2.406 2.746 . 0 0 "[ . 1 . 2 ]" 1 3247 2 112 THR HB 2 114 GLU H 4.500 . 4.500 3.231 2.979 4.711 0.211 12 0 "[ . 1 . 2 ]" 1 3248 2 112 THR HA 2 114 GLU H 4.500 . 4.500 4.350 4.269 4.411 . 0 0 "[ . 1 . 2 ]" 1 3249 2 114 GLU H 2 114 GLU HA 2.800 . 2.800 2.870 2.848 2.900 0.100 12 0 "[ . 1 . 2 ]" 1 3250 2 113 GLU HA 2 114 GLU H 4.500 . 4.500 3.536 3.513 3.566 . 0 0 "[ . 1 . 2 ]" 1 3251 2 114 GLU H 2 114 GLU QG . . 2.800 1.759 1.716 2.006 0.084 13 0 "[ . 1 . 2 ]" 1 3252 2 114 GLU H 2 114 GLU QB 2.800 . 2.800 2.774 2.600 2.810 0.010 12 0 "[ . 1 . 2 ]" 1 3253 2 113 GLU QB 2 114 GLU H 2.800 . 2.800 2.361 2.301 2.429 . 0 0 "[ . 1 . 2 ]" 1 3254 2 114 GLU H 2 118 ALA MB 5.500 . 5.500 5.648 5.601 6.048 0.548 1 1 "[+ . 1 . 2 ]" 1 3255 2 112 THR MG 2 114 GLU H 4.500 . 4.500 4.332 2.857 4.567 0.067 1 0 "[ . 1 . 2 ]" 1 3256 2 113 GLU H 2 115 GLU H 5.500 . 5.500 4.167 4.062 4.384 . 0 0 "[ . 1 . 2 ]" 1 3257 2 115 GLU H 2 116 LYS H 2.800 . 2.800 2.522 2.370 2.612 . 0 0 "[ . 1 . 2 ]" 1 3258 2 115 GLU H 2 118 ALA H 4.500 . 4.500 4.588 4.543 4.723 0.223 1 0 "[ . 1 . 2 ]" 1 3259 2 110 GLN H 2 115 GLU H 5.500 . 5.500 4.208 4.016 4.387 . 0 0 "[ . 1 . 2 ]" 1 3260 2 112 THR HB 2 115 GLU H 4.500 . 4.500 3.618 3.443 4.623 0.123 12 0 "[ . 1 . 2 ]" 1 3261 2 114 GLU HA 2 115 GLU H 4.500 . 4.500 3.683 3.606 3.699 . 0 0 "[ . 1 . 2 ]" 1 3262 2 115 GLU H 2 116 LYS HA 5.500 . 5.500 5.178 5.047 5.249 . 0 0 "[ . 1 . 2 ]" 1 3263 2 110 GLN QG 2 115 GLU H 2.800 . 2.800 2.338 2.231 2.419 . 0 0 "[ . 1 . 2 ]" 1 3264 2 115 GLU H 2 115 GLU QB 2.800 . 2.800 2.158 2.142 2.189 . 0 0 "[ . 1 . 2 ]" 1 3265 2 114 GLU QB 2 115 GLU H 2.800 . 2.800 2.304 2.255 2.344 . 0 0 "[ . 1 . 2 ]" 1 3266 2 112 THR MG 2 115 GLU H 4.500 . 4.500 3.711 1.828 4.175 . 0 0 "[ . 1 . 2 ]" 1 3267 2 115 GLU H 2 118 ALA MB 5.500 . 5.500 4.323 4.274 4.554 . 0 0 "[ . 1 . 2 ]" 1 3268 2 109 ALA MB 2 116 LYS H 5.500 . 5.500 3.555 3.253 4.058 . 0 0 "[ . 1 . 2 ]" 1 3269 2 116 LYS H 2 116 LYS QG 3.500 . 3.500 2.538 2.318 2.765 . 0 0 "[ . 1 . 2 ]" 1 3270 2 112 THR MG 2 116 LYS H 3.500 . 3.500 2.529 2.294 2.756 . 0 0 "[ . 1 . 2 ]" 1 3271 2 116 LYS H 2 118 ALA MB 4.500 . 4.500 4.563 4.524 4.780 0.280 1 0 "[ . 1 . 2 ]" 1 3272 2 116 LYS H 2 116 LYS QB 2.800 . 2.800 2.395 2.243 2.590 . 0 0 "[ . 1 . 2 ]" 1 3273 2 115 GLU QB 2 116 LYS H 3.500 . 3.500 2.885 2.811 2.983 . 0 0 "[ . 1 . 2 ]" 1 3274 2 116 LYS H 2 117 TRP QB 5.500 . 5.500 4.301 4.227 4.364 . 0 0 "[ . 1 . 2 ]" 1 3275 2 116 LYS H 2 116 LYS HA 2.800 . 2.800 2.853 2.822 2.879 0.079 7 0 "[ . 1 . 2 ]" 1 3276 2 115 GLU HA 2 116 LYS H 4.500 . 4.500 3.564 3.544 3.593 . 0 0 "[ . 1 . 2 ]" 1 3277 2 111 GLY QA 2 116 LYS H 4.500 . 4.500 4.535 4.319 4.615 0.115 17 0 "[ . 1 . 2 ]" 1 3278 2 116 LYS H 2 118 ALA H 5.500 . 5.500 4.094 3.981 4.218 . 0 0 "[ . 1 . 2 ]" 1 3279 2 117 TRP HD1 2 118 ALA H 4.500 . 4.500 4.588 4.467 4.672 0.172 1 0 "[ . 1 . 2 ]" 1 3280 2 117 TRP HA 2 118 ALA H 4.500 . 4.500 3.576 3.545 3.633 . 0 0 "[ . 1 . 2 ]" 1 3281 2 118 ALA H 2 118 ALA HA 2.800 . 2.800 2.801 2.783 2.815 0.015 1 0 "[ . 1 . 2 ]" 1 3282 2 115 GLU HA 2 118 ALA H 4.500 . 4.500 3.250 3.101 3.328 . 0 0 "[ . 1 . 2 ]" 1 3283 2 117 TRP QB 2 118 ALA H 3.500 . 3.500 2.679 2.547 2.756 . 0 0 "[ . 1 . 2 ]" 1 3284 2 114 GLU QB 2 118 ALA H 5.500 . 5.500 4.150 4.115 4.285 . 0 0 "[ . 1 . 2 ]" 1 3285 2 118 ALA H 2 118 ALA MB 2.800 . 2.800 2.178 2.149 2.233 . 0 0 "[ . 1 . 2 ]" 1 3286 2 117 TRP H 2 120 PHE H 5.500 . 5.500 4.880 4.708 5.008 . 0 0 "[ . 1 . 2 ]" 1 3287 2 119 PHE H 2 120 PHE H 2.800 . 2.800 2.424 2.379 2.456 . 0 0 "[ . 1 . 2 ]" 1 3288 2 117 TRP HA 2 120 PHE H 5.500 . 5.500 3.468 3.313 3.611 . 0 0 "[ . 1 . 2 ]" 1 3289 2 119 PHE HA 2 120 PHE H . . 3.500 3.343 3.250 3.413 . 0 0 "[ . 1 . 2 ]" 1 3290 2 106 PRO HA 2 120 PHE H 3.500 . 3.500 3.383 3.335 3.439 . 0 0 "[ . 1 . 2 ]" 1 3291 2 120 PHE H 2 120 PHE HA 2.800 . 2.800 2.497 2.450 2.527 . 0 0 "[ . 1 . 2 ]" 1 3292 2 119 PHE QB 2 120 PHE H 3.500 . 3.500 2.638 2.589 2.765 . 0 0 "[ . 1 . 2 ]" 1 3293 2 120 PHE H 2 120 PHE QB 2.800 . 2.800 2.602 2.224 2.847 0.047 1 0 "[ . 1 . 2 ]" 1 3294 2 47 ASN QB 2 120 PHE H 5.500 . 5.500 4.724 3.936 5.024 . 0 0 "[ . 1 . 2 ]" 1 3295 2 123 VAL H 2 123 VAL QG 2.800 . 2.800 2.217 2.153 2.322 . 0 0 "[ . 1 . 2 ]" 1 3296 2 123 VAL H 2 123 VAL HB 2.800 . 2.800 2.444 2.328 2.596 . 0 0 "[ . 1 . 2 ]" 1 3297 2 116 LYS QD 2 120 PHE H 5.500 . 5.500 3.391 3.111 3.655 . 0 0 "[ . 1 . 2 ]" 1 3298 2 121 GLN H 2 121 GLN QE 4.500 . 4.500 4.475 3.460 4.613 0.113 1 0 "[ . 1 . 2 ]" 1 3299 2 120 PHE H 2 121 GLN H 2.800 . 2.800 2.769 2.669 2.830 0.030 9 0 "[ . 1 . 2 ]" 1 3300 2 118 ALA HA 2 121 GLN H 3.500 . 3.500 3.571 3.541 3.616 0.116 1 0 "[ . 1 . 2 ]" 1 3301 2 120 PHE QB 2 121 GLN H 4.500 . 4.500 2.841 2.240 3.810 . 0 0 "[ . 1 . 2 ]" 1 3302 2 121 GLN H 2 121 GLN QB 2.800 . 2.800 2.178 2.125 2.509 . 0 0 "[ . 1 . 2 ]" 1 3303 2 118 ALA MB 2 121 GLN H 5.500 . 5.500 4.765 4.709 4.806 . 0 0 "[ . 1 . 2 ]" 1 3304 2 121 GLN H 2 121 GLN QG 4.500 . 4.500 3.845 2.297 3.991 . 0 0 "[ . 1 . 2 ]" 1 3305 2 122 ARG H 2 123 VAL H 2.800 . 2.800 2.801 2.767 2.850 0.050 14 0 "[ . 1 . 2 ]" 1 3306 2 118 ALA HA 2 122 ARG H 4.500 . 4.500 3.843 3.708 4.146 . 0 0 "[ . 1 . 2 ]" 1 3307 2 119 PHE HA 2 122 ARG H 4.500 . 4.500 3.706 3.436 3.960 . 0 0 "[ . 1 . 2 ]" 1 3308 2 122 ARG H 2 122 ARG HA . . 2.800 2.821 2.801 2.857 0.057 1 0 "[ . 1 . 2 ]" 1 3309 2 120 PHE QB 2 122 ARG H 5.500 . 5.500 3.534 3.489 3.580 . 0 0 "[ . 1 . 2 ]" 1 3310 2 121 GLN QB 2 122 ARG H 3.500 . 3.500 2.557 2.290 3.532 0.032 4 0 "[ . 1 . 2 ]" 1 3311 2 122 ARG H 2 122 ARG QB 2.800 . 2.800 2.202 2.152 2.254 . 0 0 "[ . 1 . 2 ]" 1 3312 2 122 ARG H 2 122 ARG QG 4.500 . 4.500 3.986 3.954 4.054 . 0 0 "[ . 1 . 2 ]" 1 3313 2 122 ARG H 2 123 VAL QG 4.500 . 4.500 4.264 4.191 4.377 . 0 0 "[ . 1 . 2 ]" 1 3314 2 121 GLN H 2 124 ARG H 5.500 . 5.500 3.904 3.777 4.040 . 0 0 "[ . 1 . 2 ]" 1 3315 2 123 VAL HA 2 124 ARG H 4.500 . 4.500 3.644 3.583 3.692 . 0 0 "[ . 1 . 2 ]" 1 3316 2 120 PHE QB 2 124 ARG H 4.500 . 4.500 3.509 3.161 3.785 . 0 0 "[ . 1 . 2 ]" 1 3317 2 19 MET ME 2 124 ARG H 3.500 . 3.500 3.419 3.167 3.813 0.313 1 0 "[ . 1 . 2 ]" 1 3318 2 124 ARG H 2 124 ARG QB 3.500 . 3.500 2.285 2.134 2.544 . 0 0 "[ . 1 . 2 ]" 1 3319 2 123 VAL HB 2 124 ARG H 3.500 . 3.500 2.883 2.654 3.035 . 0 0 "[ . 1 . 2 ]" 1 3320 2 123 VAL QG 2 124 ARG H 3.500 . 3.500 3.324 3.113 3.459 . 0 0 "[ . 1 . 2 ]" 1 3321 2 125 ASP H 2 126 GLU H 3.500 . 3.500 2.770 2.690 2.860 . 0 0 "[ . 1 . 2 ]" 1 3322 2 23 TRP HZ2 2 125 ASP H 5.500 . 5.500 5.234 4.630 5.576 0.076 6 0 "[ . 1 . 2 ]" 1 3323 2 122 ARG HA 2 125 ASP H 3.500 . 3.500 3.280 3.188 3.401 . 0 0 "[ . 1 . 2 ]" 1 3324 2 125 ASP H 2 125 ASP QB . . 2.800 2.247 2.184 2.270 . 0 0 "[ . 1 . 2 ]" 1 3325 2 124 ARG QB 2 125 ASP H 3.500 . 3.500 3.092 2.513 3.613 0.113 9 0 "[ . 1 . 2 ]" 1 3326 2 125 ASP HA 2 126 GLU H 4.500 . 4.500 3.600 3.578 3.622 . 0 0 "[ . 1 . 2 ]" 1 3327 2 123 VAL HA 2 126 GLU H 4.500 . 4.500 3.408 3.260 3.702 . 0 0 "[ . 1 . 2 ]" 1 3328 2 125 ASP QB 2 126 GLU H 4.500 . 4.500 2.557 2.498 2.624 . 0 0 "[ . 1 . 2 ]" 1 3329 2 125 ASP QB 2 126 GLU H 2.800 . 2.800 2.529 2.476 2.590 . 0 0 "[ . 1 . 2 ]" 1 3330 2 126 GLU H 2 126 GLU QB 2.800 . 2.800 2.202 2.162 2.246 . 0 0 "[ . 1 . 2 ]" 1 3331 2 126 GLU H 2 127 ILE HB 5.500 . 5.500 4.590 4.466 4.783 . 0 0 "[ . 1 . 2 ]" 1 3332 2 123 VAL QG 2 126 GLU H 5.500 . 5.500 4.349 4.223 4.525 . 0 0 "[ . 1 . 2 ]" 1 3333 2 127 ILE QG 2 128 GLY H 5.500 . 5.500 4.373 4.271 4.513 . 0 0 "[ . 1 . 2 ]" 1 3334 2 127 ILE MG 2 128 GLY H 3.500 . 3.500 2.840 2.379 3.251 . 0 0 "[ . 1 . 2 ]" 1 3335 2 127 ILE QG 2 128 GLY H 5.500 . 5.500 4.078 3.855 4.319 . 0 0 "[ . 1 . 2 ]" 1 3336 2 127 ILE HB 2 128 GLY H 3.500 . 3.500 2.897 2.616 3.547 0.047 18 0 "[ . 1 . 2 ]" 1 3337 2 128 GLY H 2 128 GLY QA 2.800 . 2.800 2.193 2.172 2.216 . 0 0 "[ . 1 . 2 ]" 1 3338 2 19 MET ME 2 128 GLY H 5.500 . 5.500 4.720 4.302 5.075 . 0 0 "[ . 1 . 2 ]" 1 3339 2 125 ASP HA 2 128 GLY H 4.500 . 4.500 3.800 3.519 4.111 . 0 0 "[ . 1 . 2 ]" 1 3340 2 23 TRP HD1 2 128 GLY H 5.500 . 5.500 4.496 4.242 4.722 . 0 0 "[ . 1 . 2 ]" 1 3341 2 128 GLY H 2 130 ARG H 5.500 . 5.500 4.314 4.148 4.459 . 0 0 "[ . 1 . 2 ]" 1 3342 2 127 ILE H 2 128 GLY H 2.800 . 2.800 2.535 2.484 2.597 . 0 0 "[ . 1 . 2 ]" 1 3343 2 23 TRP HE1 2 128 GLY H 4.500 . 4.500 4.034 3.475 4.274 . 0 0 "[ . 1 . 2 ]" 1 3344 2 128 GLY H 2 129 ASN H 3.500 . 3.500 2.822 2.755 2.939 . 0 0 "[ . 1 . 2 ]" 1 3345 2 129 ASN H 2 130 ARG H 3.500 . 3.500 2.794 2.719 2.875 . 0 0 "[ . 1 . 2 ]" 1 3346 2 129 ASN H 2 129 ASN QD 4.500 . 4.500 4.158 2.260 4.507 0.007 13 0 "[ . 1 . 2 ]" 1 3347 2 129 ASN H 2 129 ASN HA 2.800 . 2.800 2.833 2.823 2.854 0.054 1 0 "[ . 1 . 2 ]" 1 3348 2 126 GLU HA 2 129 ASN H 4.500 . 4.500 3.659 3.255 3.929 . 0 0 "[ . 1 . 2 ]" 1 3349 2 129 ASN H 2 129 ASN QB 2.800 . 2.800 2.261 2.175 2.340 . 0 0 "[ . 1 . 2 ]" 1 3350 2 129 ASN H 2 130 ARG H 2.800 . 2.800 2.476 2.409 2.527 . 0 0 "[ . 1 . 2 ]" 1 3351 2 129 ASN QD 2 130 ARG H 4.500 . 4.500 3.667 3.142 4.526 0.026 18 0 "[ . 1 . 2 ]" 1 3352 2 129 ASN HA 2 130 ARG H 3.500 . 3.500 3.586 3.569 3.611 0.111 1 0 "[ . 1 . 2 ]" 1 3353 2 126 GLU HA 2 130 ARG H 5.500 . 5.500 4.082 3.810 4.313 . 0 0 "[ . 1 . 2 ]" 1 3354 2 127 ILE HA 2 130 ARG H 4.500 . 4.500 3.618 3.445 3.970 . 0 0 "[ . 1 . 2 ]" 1 3355 2 125 ASP QB 2 130 ARG H 4.500 . 4.500 4.292 4.038 4.524 0.024 13 0 "[ . 1 . 2 ]" 1 3356 2 128 GLY QA 2 130 ARG H 4.500 . 4.500 3.889 3.796 3.943 . 0 0 "[ . 1 . 2 ]" 1 3357 2 129 ASN QD 2 130 ARG H 4.500 . 4.500 3.530 3.108 4.121 . 0 0 "[ . 1 . 2 ]" 1 3358 2 133 GLU H 2 135 ALA H 5.500 . 5.500 4.403 4.262 4.581 . 0 0 "[ . 1 . 2 ]" 1 3359 2 133 GLU H 2 133 GLU HA 2.800 . 2.800 2.842 2.791 2.864 0.064 21 0 "[ . 1 . 2 ]" 1 3360 2 132 LYS HA 2 133 GLU H 4.500 . 4.500 3.636 3.591 3.668 . 0 0 "[ . 1 . 2 ]" 1 3361 2 133 GLU H 2 133 GLU QG 3.500 . 3.500 2.769 2.148 3.288 . 0 0 "[ . 1 . 2 ]" 1 3362 2 133 GLU H 2 133 GLU QB 2.800 . 2.800 2.329 2.244 2.469 . 0 0 "[ . 1 . 2 ]" 1 3363 2 132 LYS QB 2 133 GLU H 3.500 . 3.500 2.753 2.380 3.548 0.048 6 0 "[ . 1 . 2 ]" 1 3364 2 131 LEU QB 2 133 GLU H 5.500 . 5.500 3.987 3.755 4.163 . 0 0 "[ . 1 . 2 ]" 1 3365 2 134 PHE H 2 135 ALA H . . 2.800 2.767 2.552 2.900 0.100 2 0 "[ . 1 . 2 ]" 1 3366 2 133 GLU H 2 134 PHE H 3.500 . 3.500 2.896 2.727 3.078 . 0 0 "[ . 1 . 2 ]" 1 3367 2 101 TRP HD1 2 134 PHE H 4.500 . 4.500 3.508 1.756 4.223 0.044 3 0 "[ . 1 . 2 ]" 1 3368 2 131 LEU HA 2 134 PHE H 3.500 . 3.500 3.103 2.776 3.457 . 0 0 "[ . 1 . 2 ]" 1 3369 2 133 GLU QB 2 134 PHE H 2.800 . 2.800 2.870 2.635 3.516 0.716 2 1 "[ + . 1 . 2 ]" 1 3370 2 131 LEU QB 2 134 PHE H 4.500 . 4.500 4.046 3.899 4.216 . 0 0 "[ . 1 . 2 ]" 1 3371 2 132 LYS QB 2 134 PHE H 5.500 . 5.500 4.888 4.598 5.280 . 0 0 "[ . 1 . 2 ]" 1 3372 2 131 LEU QD 2 134 PHE H 4.500 . 4.500 3.837 3.635 4.149 . 0 0 "[ . 1 . 2 ]" 1 3373 2 135 ALA H 2 136 GLU H 3.500 . 3.500 2.716 2.592 2.822 . 0 0 "[ . 1 . 2 ]" 1 3374 2 134 PHE QD 2 135 ALA H 3.500 . 3.500 3.945 3.271 4.272 0.772 12 7 "[* *. * 1 + -. * 2*]" 1 3375 2 134 PHE HA 2 135 ALA H 3.500 . 3.500 3.542 3.444 3.605 0.105 1 0 "[ . 1 . 2 ]" 1 3376 2 131 LEU HA 2 135 ALA H 4.500 . 4.500 4.174 3.958 4.554 0.054 19 0 "[ . 1 . 2 ]" 1 3377 2 133 GLU HA 2 135 ALA H 5.500 . 5.500 4.268 4.034 4.429 . 0 0 "[ . 1 . 2 ]" 1 3378 2 135 ALA H 2 135 ALA HA 2.800 . 2.800 2.829 2.814 2.862 0.062 1 0 "[ . 1 . 2 ]" 1 3379 2 132 LYS HA 2 135 ALA H 4.500 . 4.500 3.454 3.198 3.620 . 0 0 "[ . 1 . 2 ]" 1 3380 2 133 GLU QB 2 135 ALA H 4.500 . 4.500 4.222 4.108 4.349 . 0 0 "[ . 1 . 2 ]" 1 3381 2 135 ALA H 2 135 ALA MB 2.800 . 2.800 2.210 2.090 2.272 . 0 0 "[ . 1 . 2 ]" 1 3382 2 28 LEU QD 2 135 ALA H 5.500 . 5.500 2.915 2.335 3.294 . 0 0 "[ . 1 . 2 ]" 1 3383 2 136 GLU H 2 138 GLY H 4.500 . 4.500 3.780 3.615 3.940 . 0 0 "[ . 1 . 2 ]" 1 3384 2 136 GLU H 2 137 THR H 2.800 . 2.800 2.374 2.283 2.500 . 0 0 "[ . 1 . 2 ]" 1 3385 2 134 PHE QD 2 136 GLU H 5.500 . 5.500 5.504 5.355 5.626 0.126 4 0 "[ . 1 . 2 ]" 1 3386 2 134 PHE HA 2 136 GLU H 4.500 . 4.500 4.065 3.906 4.209 . 0 0 "[ . 1 . 2 ]" 1 3387 2 136 GLU H 2 136 GLU HA 2.800 . 2.800 2.893 2.876 2.929 0.129 1 0 "[ . 1 . 2 ]" 1 3388 2 133 GLU HA 2 136 GLU H 3.500 . 3.500 3.051 2.870 3.319 . 0 0 "[ . 1 . 2 ]" 1 3389 2 135 ALA HA 2 136 GLU H 3.500 . 3.500 3.532 3.510 3.557 0.057 12 0 "[ . 1 . 2 ]" 1 3390 2 132 LYS HA 2 136 GLU H 5.500 . 5.500 4.661 4.339 4.998 . 0 0 "[ . 1 . 2 ]" 1 3391 2 136 GLU H 2 136 GLU QG . . 2.800 2.498 2.370 2.607 . 0 0 "[ . 1 . 2 ]" 1 3392 2 136 GLU H 2 136 GLU QB 2.800 . 2.800 2.341 2.274 2.480 . 0 0 "[ . 1 . 2 ]" 1 3393 2 135 ALA MB 2 136 GLU H 2.800 . 2.800 2.779 2.684 2.834 0.034 1 0 "[ . 1 . 2 ]" 1 3394 2 136 GLU H 2 137 THR MG 4.500 . 4.500 3.814 3.737 4.036 . 0 0 "[ . 1 . 2 ]" 1 3395 2 137 THR H 2 138 GLY H 2.800 . 2.800 2.434 2.290 2.596 . 0 0 "[ . 1 . 2 ]" 1 3396 2 137 THR H 2 139 LYS H 4.500 . 4.500 3.897 3.561 4.174 . 0 0 "[ . 1 . 2 ]" 1 3397 2 136 GLU HA 2 137 THR H 3.500 . 3.500 3.514 3.493 3.628 0.128 1 0 "[ . 1 . 2 ]" 1 3398 2 133 GLU HA 2 137 THR H . . 3.500 3.608 3.546 4.053 0.553 1 1 "[+ . 1 . 2 ]" 1 3399 2 137 THR H 2 138 GLY QA 4.500 . 4.500 4.336 4.195 4.486 . 0 0 "[ . 1 . 2 ]" 1 3400 2 133 GLU QG 2 137 THR H 5.500 . 5.500 4.740 4.366 5.506 0.006 1 0 "[ . 1 . 2 ]" 1 3401 2 137 THR H 2 137 THR MG 2.800 . 2.800 2.314 2.174 2.541 . 0 0 "[ . 1 . 2 ]" 1 3402 2 138 GLY H 2 139 LYS H 2.800 . 2.800 2.575 2.400 2.764 . 0 0 "[ . 1 . 2 ]" 1 3403 2 134 PHE HA 2 138 GLY H 3.500 . 3.500 3.410 3.136 3.554 0.054 14 0 "[ . 1 . 2 ]" 1 3404 2 137 THR HB 2 138 GLY H 4.500 . 4.500 4.102 3.807 4.270 . 0 0 "[ . 1 . 2 ]" 1 3405 2 136 GLU HA 2 138 GLY H 4.500 . 4.500 4.514 4.393 4.720 0.220 1 0 "[ . 1 . 2 ]" 1 3406 2 138 GLY H 2 138 GLY QA 2.800 . 2.800 2.182 2.166 2.215 . 0 0 "[ . 1 . 2 ]" 1 3407 2 133 GLU QB 2 138 GLY H 5.500 . 5.500 4.364 4.281 4.550 . 0 0 "[ . 1 . 2 ]" 1 3408 2 137 THR MG 2 138 GLY H 4.500 . 4.500 4.108 4.003 4.221 . 0 0 "[ . 1 . 2 ]" 1 3409 2 136 GLU H 2 139 LYS H 5.500 . 5.500 5.531 5.274 5.816 0.316 1 0 "[ . 1 . 2 ]" 1 3410 2 134 PHE QD 2 139 LYS H 4.500 . 4.500 3.195 2.189 4.540 0.040 17 0 "[ . 1 . 2 ]" 1 3411 2 134 PHE HA 2 139 LYS H 2.800 . 2.800 2.834 2.558 3.397 0.597 1 1 "[+ . 1 . 2 ]" 1 3412 2 139 LYS H 2 139 LYS HA 2.800 . 2.800 2.515 2.157 2.871 0.071 16 0 "[ . 1 . 2 ]" 1 3413 2 137 THR HB 2 139 LYS H 4.500 . 4.500 3.545 2.696 4.539 0.039 8 0 "[ . 1 . 2 ]" 1 3414 2 138 GLY QA 2 139 LYS H . . 3.500 2.767 2.466 2.953 . 0 0 "[ . 1 . 2 ]" 1 3415 2 139 LYS H 2 139 LYS QB . . 2.800 2.420 2.070 2.857 0.057 15 0 "[ . 1 . 2 ]" 1 3416 2 139 LYS H 2 139 LYS QG 4.500 . 4.500 4.036 3.408 4.331 . 0 0 "[ . 1 . 2 ]" 1 3417 2 3 ASN HA 2 3 ASN QD 2.800 . 2.800 2.400 2.120 3.182 0.382 21 0 "[ . 1 . 2 ]" 1 3418 2 2 GLU HA 2 3 ASN QD 4.500 . 4.500 3.980 3.331 4.505 0.005 7 0 "[ . 1 . 2 ]" 1 3419 2 2 GLU QB 2 3 ASN QD 5.500 . 5.500 4.419 3.539 5.514 0.014 8 0 "[ . 1 . 2 ]" 1 3420 2 3 ASN QD 2 5 ILE QG 5.500 . 5.500 4.998 3.430 5.634 0.134 1 0 "[ . 1 . 2 ]" 1 3421 2 26 GLN QE 2 132 LYS QD 5.500 . 5.500 5.511 5.079 6.247 0.747 1 1 "[+ . 1 . 2 ]" 1 3422 2 13 ASN HA 2 13 ASN QD 4.500 . 4.500 3.524 2.261 4.081 . 0 0 "[ . 1 . 2 ]" 1 3423 2 13 ASN QD 2 36 SER QB 4.500 . 4.500 2.259 1.668 3.337 0.132 20 0 "[ . 1 . 2 ]" 1 3424 2 18 GLN QE 2 42 HIS HA 4.500 . 4.500 4.567 4.165 4.778 0.278 1 0 "[ . 1 . 2 ]" 1 3425 2 18 GLN QE 2 64 SER QB 4.500 . 4.500 2.510 1.995 2.957 . 0 0 "[ . 1 . 2 ]" 1 3426 2 18 GLN QE 2 21 GLU QG 5.500 . 5.500 5.319 4.715 5.577 0.077 19 0 "[ . 1 . 2 ]" 1 3427 2 18 GLN QE 2 48 ALA MB 5.500 . 5.500 4.983 4.655 5.382 . 0 0 "[ . 1 . 2 ]" 1 3428 2 18 GLN QE 2 44 LEU QD 4.500 . 4.500 3.397 2.838 4.169 . 0 0 "[ . 1 . 2 ]" 1 3429 2 26 GLN QE 2 57 ILE MD . . 3.500 2.659 1.776 3.316 0.024 16 0 "[ . 1 . 2 ]" 1 3430 2 45 ASN QD 2 107 ALA HA 5.500 . 5.500 3.019 2.650 3.474 . 0 0 "[ . 1 . 2 ]" 1 3431 2 45 ASN QD 2 107 ALA MB . . 2.800 2.330 1.974 2.812 0.012 16 0 "[ . 1 . 2 ]" 1 3432 2 47 ASN H 2 47 ASN QD . . 4.500 4.070 3.717 4.229 . 0 0 "[ . 1 . 2 ]" 1 3433 2 45 ASN QD 2 47 ASN QD 5.500 . 5.500 3.981 2.349 4.767 . 0 0 "[ . 1 . 2 ]" 1 3434 2 47 ASN QD 2 108 ARG H 5.500 . 5.500 5.604 5.525 6.172 0.672 1 1 "[+ . 1 . 2 ]" 1 3435 2 47 ASN HA 2 47 ASN QD 4.500 . 4.500 3.543 3.290 3.971 . 0 0 "[ . 1 . 2 ]" 1 3436 2 61 ASN QD 2 62 GLN H 4.500 . 4.500 4.309 3.142 4.531 0.031 14 0 "[ . 1 . 2 ]" 1 3437 2 61 ASN HA 2 61 ASN QD 4.500 . 4.500 3.901 2.823 4.180 . 0 0 "[ . 1 . 2 ]" 1 3438 2 18 GLN HA 2 62 GLN QE 4.500 . 4.500 2.782 2.061 4.183 . 0 0 "[ . 1 . 2 ]" 1 3439 2 7 TYR QB 2 62 GLN QE 4.500 . 4.500 2.744 1.706 3.615 0.094 16 0 "[ . 1 . 2 ]" 1 3440 2 21 GLU QB 2 62 GLN QE 4.500 . 4.500 3.759 1.980 4.154 . 0 0 "[ . 1 . 2 ]" 1 3441 2 73 ASN QB 2 73 ASN QD 2.800 . 2.800 2.383 2.353 2.412 . 0 0 "[ . 1 . 2 ]" 1 3442 2 69 SER QB 2 73 ASN QD 5.500 . 5.500 3.591 3.182 3.895 . 0 0 "[ . 1 . 2 ]" 1 3443 2 69 SER HA 2 73 ASN QD 5.500 . 5.500 3.981 3.787 4.181 . 0 0 "[ . 1 . 2 ]" 1 3444 2 70 ASP HA 2 73 ASN QD 4.500 . 4.500 2.846 2.302 3.218 . 0 0 "[ . 1 . 2 ]" 1 3445 2 73 ASN QD 2 74 ASN H . . 2.800 2.832 2.802 3.117 0.317 1 0 "[ . 1 . 2 ]" 1 3446 2 73 ASN HA 2 73 ASN QD 4.500 . 4.500 4.035 3.996 4.083 . 0 0 "[ . 1 . 2 ]" 1 3447 2 70 ASP HA 2 74 ASN QD . . 3.500 3.500 3.292 3.596 0.096 2 0 "[ . 1 . 2 ]" 1 3448 2 74 ASN QB 2 74 ASN QD 2.800 . 2.800 2.161 2.104 2.223 . 0 0 "[ . 1 . 2 ]" 1 3449 2 5 ILE MG 2 74 ASN QD 5.500 . 5.500 5.500 5.307 5.559 0.059 10 0 "[ . 1 . 2 ]" 1 3450 2 110 GLN QE 2 111 GLY QA 3.500 . 3.500 3.433 3.082 4.049 0.549 1 1 "[+ . 1 . 2 ]" 1 3451 2 110 GLN HA 2 110 GLN QE 4.500 . 4.500 3.041 2.561 3.619 . 0 0 "[ . 1 . 2 ]" 1 3452 2 121 GLN HA 2 121 GLN QE 4.500 . 4.500 3.804 3.163 4.503 0.003 4 0 "[ . 1 . 2 ]" 1 3453 2 117 TRP HZ2 2 121 GLN QE 4.500 . 4.500 4.187 3.195 4.520 0.020 12 0 "[ . 1 . 2 ]" 1 3454 2 117 TRP HE1 2 121 GLN QE 3.500 . 3.500 2.640 2.047 3.324 . 0 0 "[ . 1 . 2 ]" 1 3455 2 117 TRP HD1 2 121 GLN QE 4.500 . 4.500 3.326 2.559 3.918 . 0 0 "[ . 1 . 2 ]" 1 3456 2 129 ASN QB 2 129 ASN QD 2.800 . 2.800 2.271 2.145 2.802 0.002 15 0 "[ . 1 . 2 ]" 1 3457 2 126 GLU HA 2 129 ASN QD 4.500 . 4.500 3.935 3.116 4.596 0.096 18 0 "[ . 1 . 2 ]" 1 3458 2 129 ASN HA 2 129 ASN QD . . 4.500 3.745 2.504 4.191 . 0 0 "[ . 1 . 2 ]" 1 3459 2 129 ASN H 2 129 ASN QD . . 4.500 4.188 2.261 4.513 0.013 3 0 "[ . 1 . 2 ]" 1 3460 2 23 TRP HE1 2 127 ILE H 5.500 . 5.500 5.334 4.793 5.547 0.047 20 0 "[ . 1 . 2 ]" 1 3461 2 23 TRP HE1 2 52 MET HA 5.500 . 5.500 4.187 3.970 4.550 . 0 0 "[ . 1 . 2 ]" 1 3462 2 23 TRP HE1 2 124 ARG HA 4.500 . 4.500 3.163 2.607 3.766 . 0 0 "[ . 1 . 2 ]" 1 3463 2 23 TRP HE1 2 128 GLY QA 4.500 . 4.500 4.007 3.758 4.264 . 0 0 "[ . 1 . 2 ]" 1 3464 2 23 TRP HE1 2 127 ILE MD 4.500 . 4.500 3.530 2.863 3.932 . 0 0 "[ . 1 . 2 ]" 1 3465 2 29 GLY H 2 32 TRP HE1 5.500 . 5.500 4.364 3.334 5.183 . 0 0 "[ . 1 . 2 ]" 1 3466 2 32 TRP H 2 32 TRP HE1 5.500 . 5.500 5.088 4.771 5.297 . 0 0 "[ . 1 . 2 ]" 1 3467 2 28 LEU HA 2 32 TRP HE1 5.500 . 5.500 3.512 2.767 4.046 . 0 0 "[ . 1 . 2 ]" 1 3468 2 4 LYS QE 2 32 TRP HE1 4.500 . 4.500 4.010 2.968 4.513 0.013 16 0 "[ . 1 . 2 ]" 1 3469 2 28 LEU QB 2 32 TRP HE1 3.500 . 3.500 3.114 2.823 3.449 . 0 0 "[ . 1 . 2 ]" 1 3470 2 28 LEU QB 2 32 TRP HE1 5.500 . 5.500 4.326 3.712 5.525 0.025 12 0 "[ . 1 . 2 ]" 1 3471 2 28 LEU QD 2 32 TRP HE1 3.500 . 3.500 3.277 2.889 3.621 0.121 19 0 "[ . 1 . 2 ]" 1 3472 2 100 HIS H 2 101 TRP HE1 5.500 . 5.500 4.975 4.431 5.512 0.012 12 0 "[ . 1 . 2 ]" 1 3473 2 100 HIS HA 2 101 TRP HE1 5.500 . 5.500 5.420 4.970 5.651 0.151 13 0 "[ . 1 . 2 ]" 1 3474 2 99 GLU QB 2 101 TRP HE1 3.500 . 3.500 2.049 1.754 2.812 0.046 19 0 "[ . 1 . 2 ]" 1 3475 2 101 TRP HE1 2 139 LYS QD 3.500 . 3.500 3.614 2.645 4.520 1.020 1 1 "[+ . 1 . 2 ]" 1 3476 2 77 LEU HG 2 101 TRP HE1 5.500 . 5.500 5.429 4.405 5.641 0.141 12 0 "[ . 1 . 2 ]" 1 3477 2 79 VAL QG 2 101 TRP HE1 5.500 . 5.500 3.358 2.250 4.234 . 0 0 "[ . 1 . 2 ]" 1 3478 2 51 ALA HA 2 117 TRP HE1 5.500 . 5.500 5.345 4.976 5.568 0.068 8 0 "[ . 1 . 2 ]" 1 3479 2 117 TRP HE1 2 121 GLN QG 4.500 . 4.500 4.486 4.195 4.629 0.129 20 0 "[ . 1 . 2 ]" 1 3480 2 90 PRO HA 2 91 MET H 3.500 . 3.500 2.250 2.201 2.300 . 0 0 "[ . 1 . 2 ]" 1 3481 2 91 MET H 2 91 MET QG . . 4.500 1.798 1.715 2.152 0.085 19 0 "[ . 1 . 2 ]" 1 3482 2 90 PRO QB 2 91 MET H 3.500 . 3.500 3.254 2.936 3.345 . 0 0 "[ . 1 . 2 ]" 1 3483 2 91 MET H 2 91 MET QB 2.800 . 2.800 2.796 2.730 2.900 0.100 1 0 "[ . 1 . 2 ]" 1 3484 2 67 ILE MD 2 91 MET H 5.500 . 5.500 4.906 4.710 5.337 . 0 0 "[ . 1 . 2 ]" 1 3485 2 119 PHE HA 2 123 VAL QG 5.500 . 5.500 3.504 3.277 3.750 . 0 0 "[ . 1 . 2 ]" 1 3486 2 63 THR HA 2 63 THR MG 3.500 . 3.500 2.607 2.259 3.281 . 0 0 "[ . 1 . 2 ]" 1 3487 2 2 GLU HA 2 32 TRP H 5.500 . 5.500 6.107 5.351 6.387 0.887 12 16 "[ ** *****+**.***-**]" 1 3488 2 2 GLU HA 2 3 ASN QB 5.500 . 5.500 4.915 4.601 5.228 . 0 0 "[ . 1 . 2 ]" 1 3489 2 2 GLU HA 2 2 GLU QG 2.800 . 2.800 2.384 2.305 2.435 . 0 0 "[ . 1 . 2 ]" 1 3490 2 2 GLU HA 2 2 GLU QB 2.800 . 2.800 2.271 2.000 2.406 . 0 0 "[ . 1 . 2 ]" 1 3491 2 2 GLU HA 2 2 GLU QB 2.800 . 2.800 2.395 2.355 2.443 . 0 0 "[ . 1 . 2 ]" 1 3492 2 2 GLU HA 2 2 GLU QG 2.800 . 2.800 2.335 2.071 2.420 . 0 0 "[ . 1 . 2 ]" 1 3493 2 3 ASN HA 2 4 LYS HA 5.500 . 5.500 4.393 4.274 4.503 . 0 0 "[ . 1 . 2 ]" 1 3494 2 2 GLU HA 2 3 ASN HA 4.500 . 4.500 3.588 3.374 3.820 . 0 0 "[ . 1 . 2 ]" 1 3495 2 3 ASN HA 2 3 ASN QB 2.800 . 2.800 2.301 2.005 2.502 . 0 0 "[ . 1 . 2 ]" 1 3496 2 2 GLU QB 2 3 ASN HA 4.500 . 4.500 4.476 3.968 4.846 0.346 3 0 "[ . 1 . 2 ]" 1 3497 2 3 ASN HA 2 5 ILE MD 5.500 . 5.500 5.566 5.479 5.878 0.378 1 0 "[ . 1 . 2 ]" 1 3498 2 2 GLU HA 2 3 ASN QB 5.500 . 5.500 4.562 4.186 4.770 . 0 0 "[ . 1 . 2 ]" 1 3499 2 2 GLU QB 2 3 ASN QB 5.500 . 5.500 4.448 3.959 4.704 . 0 0 "[ . 1 . 2 ]" 1 3500 2 3 ASN QB 2 5 ILE QG 4.500 . 4.500 3.012 1.974 3.604 . 0 0 "[ . 1 . 2 ]" 1 3501 2 3 ASN QB 2 33 LYS QG 3.500 . 3.500 3.415 2.560 3.561 0.061 15 0 "[ . 1 . 2 ]" 1 3502 2 3 ASN QB 2 5 ILE MD 4.500 . 4.500 4.058 3.594 4.525 0.025 2 0 "[ . 1 . 2 ]" 1 3503 2 3 ASN QB 2 4 LYS QG 4.500 . 4.500 4.378 4.211 4.588 0.088 3 0 "[ . 1 . 2 ]" 1 3504 2 4 LYS HA 2 5 ILE HB 4.500 . 4.500 3.322 3.037 3.633 . 0 0 "[ . 1 . 2 ]" 1 3505 2 4 LYS HA 2 4 LYS QD 4.500 . 4.500 4.091 3.628 4.358 . 0 0 "[ . 1 . 2 ]" 1 3506 2 4 LYS HA 2 4 LYS QB 2.800 . 2.800 2.370 2.171 2.478 . 0 0 "[ . 1 . 2 ]" 1 3507 2 4 LYS HA 2 4 LYS QG 3.500 . 3.500 2.652 2.234 3.389 . 0 0 "[ . 1 . 2 ]" 1 3508 2 3 ASN QB 2 4 LYS HA 4.500 . 4.500 4.110 3.695 4.522 0.022 21 0 "[ . 1 . 2 ]" 1 3509 2 4 LYS QE 2 4 LYS QG . . 2.800 2.258 2.029 2.512 . 0 0 "[ . 1 . 2 ]" 1 3510 2 4 LYS QD 2 5 ILE H 5.500 . 5.500 5.371 4.920 5.636 0.136 1 0 "[ . 1 . 2 ]" 1 3511 2 4 LYS H 2 4 LYS QD 5.500 . 5.500 4.355 2.746 4.992 . 0 0 "[ . 1 . 2 ]" 1 3512 2 4 LYS QD 2 32 TRP HZ2 5.500 . 5.500 4.272 3.099 5.490 . 0 0 "[ . 1 . 2 ]" 1 3513 2 3 ASN HA 2 4 LYS QD 5.500 . 5.500 5.217 3.238 6.024 0.524 1 1 "[+ . 1 . 2 ]" 1 3514 2 4 LYS QD 2 31 GLU QB 5.500 . 5.500 4.854 2.303 5.951 0.451 10 0 "[ . 1 . 2 ]" 1 3515 2 4 LYS QD 2 31 GLU QB 5.500 . 5.500 3.239 2.291 4.048 . 0 0 "[ . 1 . 2 ]" 1 3516 2 4 LYS QD 2 5 ILE QG 5.500 . 5.500 4.671 3.309 5.830 0.330 8 0 "[ . 1 . 2 ]" 1 3517 2 50 LYS QE 2 50 LYS QG . . 2.800 2.235 2.101 2.423 . 0 0 "[ . 1 . 2 ]" 1 3518 2 4 LYS QE 2 31 GLU QB 3.500 . 3.500 3.933 2.005 4.434 0.934 21 9 "[ * .* -** .* **+]" 1 3519 2 116 LYS QB 2 116 LYS QE 2.800 . 2.800 3.119 2.355 3.782 0.982 5 11 "[***-+* * 1 * .** *2 ]" 1 3520 2 2 GLU HA 2 4 LYS QE 5.500 . 5.500 4.033 3.203 4.863 . 0 0 "[ . 1 . 2 ]" 1 3521 2 2 GLU HA 2 4 LYS QE 5.500 . 5.500 3.883 3.175 4.521 . 0 0 "[ . 1 . 2 ]" 1 3522 2 50 LYS HA 2 50 LYS QE 5.500 . 5.500 4.451 4.271 4.765 . 0 0 "[ . 1 . 2 ]" 1 3523 2 4 LYS HA 2 4 LYS QE 5.500 . 5.500 4.727 4.345 5.352 . 0 0 "[ . 1 . 2 ]" 1 3524 2 47 ASN HA 2 50 LYS QE 5.500 . 5.500 5.298 3.005 5.527 0.027 16 0 "[ . 1 . 2 ]" 1 3525 2 111 GLY QA 2 116 LYS QE 2.800 . 2.800 2.678 2.179 2.832 0.032 9 0 "[ . 1 . 2 ]" 1 3526 2 47 ASN QD 2 116 LYS QE 5.500 . 5.500 5.570 5.485 6.128 0.628 1 1 "[+ . 1 . 2 ]" 1 3527 2 47 ASN QD 2 50 LYS QE 5.500 . 5.500 5.285 4.882 5.527 0.027 1 0 "[ . 1 . 2 ]" 1 3528 2 4 LYS QE 2 32 TRP HZ2 . . 4.500 3.737 2.782 4.529 0.029 12 0 "[ . 1 . 2 ]" 1 3529 2 4 LYS H 2 4 LYS QE 5.500 . 5.500 4.520 3.738 5.417 . 0 0 "[ . 1 . 2 ]" 1 3530 2 4 LYS H 2 4 LYS QE 5.500 . 5.500 4.344 3.706 5.050 . 0 0 "[ . 1 . 2 ]" 1 3531 2 4 LYS QE 2 32 TRP HE1 5.500 . 5.500 3.969 2.956 4.449 . 0 0 "[ . 1 . 2 ]" 1 3532 2 4 LYS QE 2 32 TRP HE1 5.500 . 5.500 3.377 2.648 3.829 . 0 0 "[ . 1 . 2 ]" 1 3533 2 5 ILE HA 2 5 ILE MG 2.800 . 2.800 2.462 2.415 2.539 . 0 0 "[ . 1 . 2 ]" 1 3534 2 80 THR HA 2 98 ARG QG 5.500 . 5.500 4.805 4.478 5.066 . 0 0 "[ . 1 . 2 ]" 1 3535 2 80 THR HA 2 80 THR MG 3.500 . 3.500 2.364 2.257 2.464 . 0 0 "[ . 1 . 2 ]" 1 3536 2 5 ILE HA 2 33 LYS QG 5.500 . 5.500 4.041 3.140 4.549 . 0 0 "[ . 1 . 2 ]" 1 3537 2 5 ILE HA 2 5 ILE HB 2.800 . 2.800 2.113 2.022 2.170 . 0 0 "[ . 1 . 2 ]" 1 3538 2 4 LYS HA 2 5 ILE HA 5.500 . 5.500 3.974 3.884 4.024 . 0 0 "[ . 1 . 2 ]" 1 3539 2 78 VAL HA 2 80 THR HA 5.500 . 5.500 5.629 5.545 5.706 0.206 1 0 "[ . 1 . 2 ]" 1 3540 2 80 THR HA 2 81 LEU HA 5.500 . 5.500 4.471 4.391 4.506 . 0 0 "[ . 1 . 2 ]" 1 3541 2 4 LYS HA 2 5 ILE HB 5.500 . 5.500 4.509 4.237 4.652 . 0 0 "[ . 1 . 2 ]" 1 3542 2 5 ILE HB 2 71 ILE HB 5.500 . 5.500 3.512 3.425 3.565 . 0 0 "[ . 1 . 2 ]" 1 3543 2 5 ILE QG 2 33 LYS H 5.500 . 5.500 3.800 3.286 4.754 . 0 0 "[ . 1 . 2 ]" 1 3544 2 5 ILE QG 2 33 LYS QG 4.500 . 4.500 3.487 3.126 4.001 . 0 0 "[ . 1 . 2 ]" 1 3545 2 5 ILE H 2 5 ILE MD 4.500 . 4.500 4.182 3.765 4.326 . 0 0 "[ . 1 . 2 ]" 1 3546 2 5 ILE MD 2 6 ILE H 4.500 . 4.500 4.612 4.131 5.147 0.647 1 1 "[+ . 1 . 2 ]" 1 3547 2 5 ILE MD 2 76 ASP H 5.500 . 5.500 5.476 5.340 5.586 0.086 14 0 "[ . 1 . 2 ]" 1 3548 2 5 ILE MD 2 75 ALA H 5.500 . 5.500 4.904 4.595 5.474 . 0 0 "[ . 1 . 2 ]" 1 3549 2 5 ILE HA 2 5 ILE MD 4.500 . 4.500 3.569 2.673 3.855 . 0 0 "[ . 1 . 2 ]" 1 3550 2 5 ILE MD 2 75 ALA HA 4.500 . 4.500 3.900 3.714 4.361 . 0 0 "[ . 1 . 2 ]" 1 3551 2 5 ILE MD 2 71 ILE HA 5.500 . 5.500 4.039 3.847 4.335 . 0 0 "[ . 1 . 2 ]" 1 3552 2 5 ILE MD 2 74 ASN QB 5.500 . 5.500 3.071 2.351 4.065 . 0 0 "[ . 1 . 2 ]" 1 3553 2 5 ILE MD 2 71 ILE HB 4.500 . 4.500 4.167 3.999 4.323 . 0 0 "[ . 1 . 2 ]" 1 3554 2 5 ILE MD 2 71 ILE MD 5.500 . 5.500 5.474 5.096 5.573 0.073 1 0 "[ . 1 . 2 ]" 1 3555 2 5 ILE MD 2 71 ILE MG 3.500 . 3.500 2.695 2.587 2.859 . 0 0 "[ . 1 . 2 ]" 1 3556 2 5 ILE H 2 5 ILE MG 4.500 . 4.500 3.798 3.771 3.836 . 0 0 "[ . 1 . 2 ]" 1 3557 2 5 ILE MG 2 6 ILE H 5.500 . 5.500 2.443 2.309 2.718 . 0 0 "[ . 1 . 2 ]" 1 3558 2 5 ILE MG 2 74 ASN H 5.500 . 5.500 4.917 4.575 5.133 . 0 0 "[ . 1 . 2 ]" 1 3559 2 5 ILE MG 2 75 ALA H 5.500 . 5.500 3.582 3.329 3.755 . 0 0 "[ . 1 . 2 ]" 1 3560 2 5 ILE MG 2 33 LYS HA 5.500 . 5.500 5.377 5.227 5.509 0.009 18 0 "[ . 1 . 2 ]" 1 3561 2 4 LYS HA 2 5 ILE MG 5.500 . 5.500 5.452 5.312 5.537 0.037 1 0 "[ . 1 . 2 ]" 1 3562 2 5 ILE MG 2 75 ALA HA 4.500 . 4.500 2.309 2.184 2.485 . 0 0 "[ . 1 . 2 ]" 1 3563 2 5 ILE MG 2 71 ILE HA 5.500 . 5.500 3.925 3.746 4.143 . 0 0 "[ . 1 . 2 ]" 1 3564 2 5 ILE MG 2 33 LYS QE 5.500 . 5.500 4.741 3.321 5.594 0.094 20 0 "[ . 1 . 2 ]" 1 3565 2 5 ILE MG 2 74 ASN QB . . 3.500 3.478 3.315 3.540 0.040 10 0 "[ . 1 . 2 ]" 1 3566 2 5 ILE MG 2 71 ILE HB 3.500 . 3.500 2.244 2.134 2.369 . 0 0 "[ . 1 . 2 ]" 1 3567 2 5 ILE QG 2 5 ILE MG 2.800 . 2.800 2.547 2.381 2.635 . 0 0 "[ . 1 . 2 ]" 1 3568 2 5 ILE MG 2 71 ILE MD 5.500 . 5.500 5.370 5.253 5.466 . 0 0 "[ . 1 . 2 ]" 1 3569 2 5 ILE MG 2 71 ILE MG 4.500 . 4.500 2.451 2.268 2.822 . 0 0 "[ . 1 . 2 ]" 1 3570 2 6 ILE HA 2 6 ILE QG 2.800 . 2.800 2.331 2.224 2.433 . 0 0 "[ . 1 . 2 ]" 1 3571 2 6 ILE HA 2 77 LEU QD 5.500 . 5.500 4.037 3.640 4.353 . 0 0 "[ . 1 . 2 ]" 1 3572 2 6 ILE HA 2 6 ILE MD 4.500 . 4.500 3.719 3.522 3.886 . 0 0 "[ . 1 . 2 ]" 1 3573 2 6 ILE HB 2 6 ILE MD . . 3.500 2.749 2.358 3.266 . 0 0 "[ . 1 . 2 ]" 1 3574 2 6 ILE HB 2 28 LEU QD 5.500 . 5.500 3.698 3.505 3.920 . 0 0 "[ . 1 . 2 ]" 1 3575 2 6 ILE HB 2 77 LEU QB 5.500 . 5.500 3.433 2.699 3.888 . 0 0 "[ . 1 . 2 ]" 1 3576 2 6 ILE QG 2 77 LEU QD . . 3.500 2.545 2.003 3.161 . 0 0 "[ . 1 . 2 ]" 1 3577 2 6 ILE H 2 6 ILE MD 5.500 . 5.500 4.621 4.035 4.914 . 0 0 "[ . 1 . 2 ]" 1 3578 2 6 ILE MD 2 7 TYR H 4.500 . 4.500 3.441 2.645 4.058 . 0 0 "[ . 1 . 2 ]" 1 3579 2 6 ILE MD 2 77 LEU H 5.500 . 5.500 5.071 4.529 5.379 . 0 0 "[ . 1 . 2 ]" 1 3580 2 6 ILE MD 2 134 PHE QE 2.800 . 2.800 2.689 2.167 2.862 0.062 4 0 "[ . 1 . 2 ]" 1 3581 2 6 ILE MD 2 8 PHE HA 5.500 . 5.500 5.055 4.256 5.543 0.043 3 0 "[ . 1 . 2 ]" 1 3582 2 6 ILE MD 2 28 LEU QB 5.500 . 5.500 5.167 4.584 5.562 0.062 13 0 "[ . 1 . 2 ]" 1 3583 2 6 ILE MD 2 77 LEU QB 4.500 . 4.500 3.395 2.659 4.049 . 0 0 "[ . 1 . 2 ]" 1 3584 2 6 ILE MD 2 76 ASP QB 4.500 . 4.500 2.949 2.452 3.214 . 0 0 "[ . 1 . 2 ]" 1 3585 2 6 ILE MD 2 77 LEU QD . . 2.800 2.499 2.101 3.001 0.201 1 0 "[ . 1 . 2 ]" 1 3586 2 6 ILE MD 2 28 LEU QD 2.800 . 2.800 2.351 1.987 2.779 . 0 0 "[ . 1 . 2 ]" 1 3587 2 6 ILE MD 2 79 VAL QG 2.800 . 2.800 2.143 2.008 2.304 . 0 0 "[ . 1 . 2 ]" 1 3588 2 6 ILE MG 2 33 LYS H 5.500 . 5.500 3.332 2.622 4.159 . 0 0 "[ . 1 . 2 ]" 1 3589 2 6 ILE MG 2 35 TYR H 5.500 . 5.500 3.662 3.264 3.943 . 0 0 "[ . 1 . 2 ]" 1 3590 2 6 ILE MG 2 7 TYR H 5.500 . 5.500 3.950 3.699 4.087 . 0 0 "[ . 1 . 2 ]" 1 3591 2 5 ILE HA 2 6 ILE MG 5.500 . 5.500 3.446 3.109 3.860 . 0 0 "[ . 1 . 2 ]" 1 3592 2 6 ILE MG 2 32 TRP HA 5.500 . 5.500 4.602 4.045 5.510 0.010 5 0 "[ . 1 . 2 ]" 1 3593 2 6 ILE MG 2 34 VAL HA 2.800 . 2.800 2.368 2.106 2.661 . 0 0 "[ . 1 . 2 ]" 1 3594 2 6 ILE MG 2 32 TRP QB 4.500 . 4.500 3.011 2.462 3.779 . 0 0 "[ . 1 . 2 ]" 1 3595 2 5 ILE HB 2 6 ILE MG 4.500 . 4.500 3.920 3.579 4.251 . 0 0 "[ . 1 . 2 ]" 1 3596 2 6 ILE MG 2 34 VAL QG 2.800 . 2.800 2.097 1.902 2.380 . 0 0 "[ . 1 . 2 ]" 1 3597 2 6 ILE MG 2 28 LEU QD . . 2.800 2.544 2.236 2.863 0.063 8 0 "[ . 1 . 2 ]" 1 3598 2 6 ILE MD 2 6 ILE MG 2.800 . 2.800 2.079 2.021 2.133 . 0 0 "[ . 1 . 2 ]" 1 3599 2 6 ILE MG 2 77 LEU QB 5.500 . 5.500 4.540 4.063 4.825 . 0 0 "[ . 1 . 2 ]" 1 3600 2 7 TYR HA 2 7 TYR QD 3.500 . 3.500 2.919 2.667 3.123 . 0 0 "[ . 1 . 2 ]" 1 3601 2 7 TYR HA 2 8 PHE QB 5.500 . 5.500 4.465 4.198 4.702 . 0 0 "[ . 1 . 2 ]" 1 3602 2 7 TYR HA 2 71 ILE HB 5.500 . 5.500 4.137 3.945 4.477 . 0 0 "[ . 1 . 2 ]" 1 3603 2 6 ILE QG 2 7 TYR HA 4.500 . 4.500 3.891 3.677 4.126 . 0 0 "[ . 1 . 2 ]" 1 3604 2 7 TYR QB 2 71 ILE HB 5.500 . 5.500 2.336 2.088 2.662 . 0 0 "[ . 1 . 2 ]" 1 3605 2 6 ILE QG 2 7 TYR QB 3.500 . 3.500 2.325 2.065 2.707 . 0 0 "[ . 1 . 2 ]" 1 3606 2 7 TYR QB 2 78 VAL QG . . 4.500 2.343 2.074 2.760 . 0 0 "[ . 1 . 2 ]" 1 3607 2 8 PHE HA 2 81 LEU QD 5.500 . 5.500 3.770 2.702 4.181 . 0 0 "[ . 1 . 2 ]" 1 3608 2 8 PHE HA 2 9 LEU QB 5.500 . 5.500 3.981 3.617 4.360 . 0 0 "[ . 1 . 2 ]" 1 3609 2 8 PHE HA 2 79 VAL HB 5.500 . 5.500 2.874 2.339 5.309 . 0 0 "[ . 1 . 2 ]" 1 3610 2 9 LEU HA 2 10 SER H 5.500 . 5.500 2.182 2.102 2.274 . 0 0 "[ . 1 . 2 ]" 1 3611 2 9 LEU HA 2 9 LEU QD . . 3.500 2.092 2.037 2.193 . 0 0 "[ . 1 . 2 ]" 1 3612 2 9 LEU QB 2 9 LEU QD . . 2.800 1.944 1.919 1.981 . 0 0 "[ . 1 . 2 ]" 1 3613 2 9 LEU QB 2 67 ILE MG 5.500 . 5.500 4.388 3.667 4.914 . 0 0 "[ . 1 . 2 ]" 1 3614 2 9 LEU QB 2 80 THR HB 5.500 . 5.500 5.014 4.605 5.506 0.006 9 0 "[ . 1 . 2 ]" 1 3615 2 9 LEU QB 2 10 SER H 5.500 . 5.500 3.635 3.171 4.003 . 0 0 "[ . 1 . 2 ]" 1 3616 2 9 LEU QD 2 13 ASN QD 5.500 . 5.500 4.299 3.969 4.501 . 0 0 "[ . 1 . 2 ]" 1 3617 2 7 TYR QD 2 9 LEU QD 5.500 . 5.500 3.273 2.663 3.893 . 0 0 "[ . 1 . 2 ]" 1 3618 2 9 LEU QD 2 36 SER HA 5.500 . 5.500 4.922 4.311 5.338 . 0 0 "[ . 1 . 2 ]" 1 3619 2 9 LEU QD 2 38 GLY QA 4.500 . 4.500 2.506 2.113 2.988 . 0 0 "[ . 1 . 2 ]" 1 3620 2 9 LEU QD 2 87 ASP HA 5.500 . 5.500 5.319 4.916 5.562 0.062 8 0 "[ . 1 . 2 ]" 1 3621 2 9 LEU QD 2 10 SER QB 5.500 . 5.500 4.602 4.365 4.797 . 0 0 "[ . 1 . 2 ]" 1 3622 2 9 LEU QD 2 67 ILE HA 5.500 . 5.500 3.502 2.940 3.760 . 0 0 "[ . 1 . 2 ]" 1 3623 2 9 LEU QD 2 90 PRO QG 5.500 . 5.500 2.061 1.941 2.226 . 0 0 "[ . 1 . 2 ]" 1 3624 2 9 LEU QD 2 37 ALA MB 2.800 . 2.800 2.384 2.008 2.850 0.050 1 0 "[ . 1 . 2 ]" 1 3625 2 9 LEU QD 2 72 LEU QD 3.500 . 3.500 1.873 1.749 2.092 0.051 14 0 "[ . 1 . 2 ]" 1 3626 2 9 LEU QD 2 67 ILE MG 2.800 . 2.800 2.261 2.026 2.596 . 0 0 "[ . 1 . 2 ]" 1 3627 2 11 THR HA 2 39 ILE MG 4.500 . 4.500 2.552 2.110 3.127 . 0 0 "[ . 1 . 2 ]" 1 3628 2 11 THR HA 2 39 ILE MD 5.500 . 5.500 5.275 4.802 5.538 0.038 6 0 "[ . 1 . 2 ]" 1 3629 2 11 THR HA 2 86 ALA MB 5.500 . 5.500 4.141 3.826 4.609 . 0 0 "[ . 1 . 2 ]" 1 3630 2 11 THR HA 2 39 ILE HB 5.500 . 5.500 4.550 4.275 4.811 . 0 0 "[ . 1 . 2 ]" 1 3631 2 11 THR HA 2 87 ASP HA 5.500 . 5.500 2.447 2.054 2.883 . 0 0 "[ . 1 . 2 ]" 1 3632 2 11 THR HB 2 86 ALA MB 5.500 . 5.500 4.040 3.314 4.636 . 0 0 "[ . 1 . 2 ]" 1 3633 2 11 THR HB 2 39 ILE MG 5.500 . 5.500 4.770 4.336 5.296 . 0 0 "[ . 1 . 2 ]" 1 3634 2 11 THR MG 2 39 ILE MG 4.500 . 4.500 2.717 2.273 3.105 . 0 0 "[ . 1 . 2 ]" 1 3635 2 11 THR MG 2 39 ILE MD 5.500 . 5.500 4.329 3.642 4.686 . 0 0 "[ . 1 . 2 ]" 1 3636 2 11 THR MG 2 39 ILE QG 5.500 . 5.500 5.091 4.563 5.500 0.000 9 0 "[ . 1 . 2 ]" 1 3637 2 11 THR MG 2 86 ALA MB 2.800 . 2.800 1.990 1.934 2.084 . 0 0 "[ . 1 . 2 ]" 1 3638 2 10 SER QB 2 11 THR MG 5.500 . 5.500 5.210 4.798 5.397 . 0 0 "[ . 1 . 2 ]" 1 3639 2 11 THR MG 2 12 GLY QA 5.500 . 5.500 3.319 2.998 3.705 . 0 0 "[ . 1 . 2 ]" 1 3640 2 11 THR MG 2 86 ALA HA 5.500 . 5.500 4.126 3.816 4.597 . 0 0 "[ . 1 . 2 ]" 1 3641 2 11 THR MG 2 82 SER HA 3.500 . 3.500 3.205 2.614 3.621 0.121 10 0 "[ . 1 . 2 ]" 1 3642 2 11 THR MG 2 12 GLY H 5.500 . 5.500 3.054 2.513 3.633 . 0 0 "[ . 1 . 2 ]" 1 3643 2 11 THR MG 2 88 LYS H 5.500 . 5.500 4.904 4.286 5.341 . 0 0 "[ . 1 . 2 ]" 1 3644 2 14 SER HA 2 43 GLY QA 4.500 . 4.500 3.526 2.428 4.523 0.023 3 0 "[ . 1 . 2 ]" 1 3645 2 14 SER HA 2 44 LEU QD 5.500 . 5.500 5.126 4.503 5.539 0.039 21 0 "[ . 1 . 2 ]" 1 3646 2 14 SER QB 2 43 GLY QA . . 4.500 3.351 2.193 4.545 0.045 12 0 "[ . 1 . 2 ]" 1 3647 2 15 ALA MB 2 47 ASN H 5.500 . 5.500 4.721 4.357 5.157 . 0 0 "[ . 1 . 2 ]" 1 3648 2 15 ALA MB 2 19 MET H 5.500 . 5.500 3.876 3.528 4.678 . 0 0 "[ . 1 . 2 ]" 1 3649 2 15 ALA MB 2 48 ALA H 5.500 . 5.500 3.750 3.345 4.667 . 0 0 "[ . 1 . 2 ]" 1 3650 2 15 ALA MB 2 106 PRO QD 5.500 . 5.500 3.277 2.477 4.382 . 0 0 "[ . 1 . 2 ]" 1 3651 2 15 ALA MB 2 48 ALA HA 5.500 . 5.500 3.998 3.194 4.621 . 0 0 "[ . 1 . 2 ]" 1 3652 2 14 SER QB 2 15 ALA MB 5.500 . 5.500 3.502 2.826 4.121 . 0 0 "[ . 1 . 2 ]" 1 3653 2 15 ALA MB 2 45 ASN QB 4.500 . 4.500 2.416 2.090 3.352 . 0 0 "[ . 1 . 2 ]" 1 3654 2 15 ALA MB 2 18 GLN QG 3.500 . 3.500 3.313 2.672 3.561 0.061 2 0 "[ . 1 . 2 ]" 1 3655 2 15 ALA MB 2 106 PRO QG 3.500 . 3.500 2.542 2.024 3.409 . 0 0 "[ . 1 . 2 ]" 1 3656 2 15 ALA MB 2 123 VAL QG 5.500 . 5.500 4.760 4.146 5.648 0.148 7 0 "[ . 1 . 2 ]" 1 3657 2 15 ALA MB 2 127 ILE MD 5.500 . 5.500 5.213 4.712 5.551 0.051 7 0 "[ . 1 . 2 ]" 1 3658 2 15 ALA MB 2 106 PRO QB 5.500 . 5.500 4.020 3.425 4.641 . 0 0 "[ . 1 . 2 ]" 1 3659 2 16 ARG HA 2 106 PRO QD 5.500 . 5.500 3.900 3.257 4.547 . 0 0 "[ . 1 . 2 ]" 1 3660 2 16 ARG HA 2 19 MET ME . . 3.500 2.777 2.200 3.587 0.087 10 0 "[ . 1 . 2 ]" 1 3661 2 16 ARG HA 2 123 VAL QG 5.500 . 5.500 3.775 3.017 4.621 . 0 0 "[ . 1 . 2 ]" 1 3662 2 16 ARG HA 2 127 ILE MD 3.500 . 3.500 2.833 2.333 3.264 . 0 0 "[ . 1 . 2 ]" 1 3663 2 17 SER HA 2 20 ALA MB . . 3.500 2.446 2.117 2.885 . 0 0 "[ . 1 . 2 ]" 1 3664 2 13 ASN QD 2 18 GLN HA 5.500 . 5.500 4.176 3.516 5.072 . 0 0 "[ . 1 . 2 ]" 1 3665 2 18 GLN HA 2 21 GLU HA 5.500 . 5.500 5.135 4.982 5.243 . 0 0 "[ . 1 . 2 ]" 1 3666 2 18 GLN HA 2 19 MET HA 5.500 . 5.500 4.752 4.649 4.881 . 0 0 "[ . 1 . 2 ]" 1 3667 2 18 GLN HA 2 21 GLU QB 2.800 . 2.800 2.331 2.101 2.695 . 0 0 "[ . 1 . 2 ]" 1 3668 2 18 GLN HA 2 48 ALA MB 4.500 . 4.500 4.585 4.396 4.669 0.169 17 0 "[ . 1 . 2 ]" 1 3669 2 18 GLN HA 2 44 LEU QD 5.500 . 5.500 3.909 3.652 4.105 . 0 0 "[ . 1 . 2 ]" 1 3670 2 18 GLN HA 2 59 ILE MD 5.500 . 5.500 3.665 3.410 3.963 . 0 0 "[ . 1 . 2 ]" 1 3671 2 19 MET HA 2 23 TRP QB 5.500 . 5.500 5.078 4.944 5.363 . 0 0 "[ . 1 . 2 ]" 1 3672 2 18 GLN QB 2 19 MET HA 3.500 . 3.500 3.630 3.574 3.926 0.426 1 0 "[ . 1 . 2 ]" 1 3673 2 19 MET HA 2 52 MET ME . . 3.500 3.594 3.503 3.873 0.373 1 0 "[ . 1 . 2 ]" 1 3674 2 19 MET HA 2 59 ILE MD 5.500 . 5.500 2.778 2.412 3.118 . 0 0 "[ . 1 . 2 ]" 1 3675 2 19 MET HA 2 48 ALA HA 5.500 . 5.500 4.790 4.435 5.144 . 0 0 "[ . 1 . 2 ]" 1 3676 2 15 ALA MB 2 19 MET ME 5.500 . 5.500 3.378 2.669 4.015 . 0 0 "[ . 1 . 2 ]" 1 3677 2 19 MET ME 2 20 ALA H 5.500 . 5.500 4.693 4.300 5.188 . 0 0 "[ . 1 . 2 ]" 1 3678 2 19 MET H 2 19 MET ME 4.500 . 4.500 4.025 3.773 4.528 0.028 9 0 "[ . 1 . 2 ]" 1 3679 2 19 MET ME 2 107 ALA H 5.500 . 5.500 4.301 4.024 4.512 . 0 0 "[ . 1 . 2 ]" 1 3680 2 19 MET ME 2 121 GLN H 5.500 . 5.500 5.290 5.086 5.501 0.001 20 0 "[ . 1 . 2 ]" 1 3681 2 19 MET ME 2 47 ASN QD 4.500 . 4.500 3.046 2.288 4.049 . 0 0 "[ . 1 . 2 ]" 1 3682 2 15 ALA HA 2 19 MET ME 5.500 . 5.500 4.694 3.877 5.377 . 0 0 "[ . 1 . 2 ]" 1 3683 2 19 MET ME 2 106 PRO QD 5.500 . 5.500 3.687 3.220 4.367 . 0 0 "[ . 1 . 2 ]" 1 3684 2 19 MET ME 2 48 ALA HA 3.500 . 3.500 2.801 2.487 2.941 . 0 0 "[ . 1 . 2 ]" 1 3685 2 19 MET ME 2 124 ARG HA 3.500 . 3.500 3.428 2.845 3.742 0.242 1 0 "[ . 1 . 2 ]" 1 3686 2 19 MET HA 2 19 MET ME 4.500 . 4.500 4.409 4.234 4.631 0.131 11 0 "[ . 1 . 2 ]" 1 3687 2 19 MET ME 2 120 PHE QB . . 3.500 3.289 2.584 3.584 0.084 12 0 "[ . 1 . 2 ]" 1 3688 2 19 MET QB 2 19 MET ME 3.500 . 3.500 2.248 2.071 2.476 . 0 0 "[ . 1 . 2 ]" 1 3689 2 19 MET ME 2 48 ALA MB 4.500 . 4.500 3.356 2.970 3.798 . 0 0 "[ . 1 . 2 ]" 1 3690 2 19 MET ME 2 51 ALA MB 2.800 . 2.800 2.178 1.918 2.544 . 0 0 "[ . 1 . 2 ]" 1 3691 2 19 MET ME 2 106 PRO QG 3.500 . 3.500 2.245 2.027 2.815 . 0 0 "[ . 1 . 2 ]" 1 3692 2 19 MET ME 2 123 VAL QG 2.800 . 2.800 2.664 2.056 3.173 0.373 14 0 "[ . 1 . 2 ]" 1 3693 2 17 SER H 2 19 MET ME 5.500 . 5.500 4.925 4.516 5.227 . 0 0 "[ . 1 . 2 ]" 1 3694 2 19 MET ME 2 127 ILE MD 2.800 . 2.800 2.802 2.738 3.178 0.378 1 0 "[ . 1 . 2 ]" 1 3695 2 8 PHE QD 2 20 ALA HA 5.500 . 5.500 5.518 5.029 5.883 0.383 1 0 "[ . 1 . 2 ]" 1 3696 2 20 ALA HA 2 23 TRP HD1 5.500 . 5.500 3.182 2.750 3.673 . 0 0 "[ . 1 . 2 ]" 1 3697 2 20 ALA HA 2 128 GLY QA 5.500 . 5.500 4.088 3.882 4.367 . 0 0 "[ . 1 . 2 ]" 1 3698 2 20 ALA HA 2 131 LEU QD 4.500 . 4.500 3.236 2.624 3.574 . 0 0 "[ . 1 . 2 ]" 1 3699 2 20 ALA HA 2 131 LEU QD 4.500 . 4.500 2.993 2.567 3.243 . 0 0 "[ . 1 . 2 ]" 1 3700 2 20 ALA HA 2 52 MET ME 5.500 . 5.500 3.796 3.607 3.971 . 0 0 "[ . 1 . 2 ]" 1 3701 2 20 ALA HA 2 127 ILE MG 2.800 . 2.800 2.112 1.981 2.272 . 0 0 "[ . 1 . 2 ]" 1 3702 2 20 ALA MB 2 81 LEU QD 2.800 . 2.800 1.955 1.821 2.198 . 0 0 "[ . 1 . 2 ]" 1 3703 2 20 ALA MB 2 127 ILE QG 3.500 . 3.500 2.222 2.024 2.472 . 0 0 "[ . 1 . 2 ]" 1 3704 2 20 ALA MB 2 127 ILE HB 5.500 . 5.500 4.510 4.264 4.910 . 0 0 "[ . 1 . 2 ]" 1 3705 2 20 ALA MB 2 24 ALA MB 5.500 . 5.500 3.543 3.296 3.680 . 0 0 "[ . 1 . 2 ]" 1 3706 2 19 MET ME 2 20 ALA MB 5.500 . 5.500 3.525 3.381 3.621 . 0 0 "[ . 1 . 2 ]" 1 3707 2 20 ALA MB 2 128 GLY QA 5.500 . 5.500 4.240 4.039 4.503 . 0 0 "[ . 1 . 2 ]" 1 3708 2 20 ALA MB 2 23 TRP QB 5.500 . 5.500 3.704 3.573 3.855 . 0 0 "[ . 1 . 2 ]" 1 3709 2 20 ALA MB 2 36 SER QB 5.500 . 5.500 5.000 4.358 5.499 . 0 0 "[ . 1 . 2 ]" 1 3710 2 20 ALA MB 2 23 TRP HD1 5.500 . 5.500 4.507 4.086 4.919 . 0 0 "[ . 1 . 2 ]" 1 3711 2 19 MET H 2 20 ALA MB 5.500 . 5.500 4.326 4.225 4.463 . 0 0 "[ . 1 . 2 ]" 1 3712 2 20 ALA MB 2 23 TRP H 5.500 . 5.500 3.764 3.528 3.949 . 0 0 "[ . 1 . 2 ]" 1 3713 2 20 ALA MB 2 21 GLU HA 5.500 . 5.500 3.861 3.735 4.040 . 0 0 "[ . 1 . 2 ]" 1 3714 2 21 GLU HA 2 34 VAL QG . . 3.500 2.328 2.024 2.848 . 0 0 "[ . 1 . 2 ]" 1 3715 2 21 GLU HA 2 24 ALA MB 4.500 . 4.500 2.387 2.165 2.854 . 0 0 "[ . 1 . 2 ]" 1 3716 2 21 GLU QB 2 22 GLY QA 5.500 . 5.500 3.220 3.060 3.479 . 0 0 "[ . 1 . 2 ]" 1 3717 2 22 GLY QA 2 52 MET ME . . 3.500 2.634 2.158 3.399 . 0 0 "[ . 1 . 2 ]" 1 3718 2 22 GLY QA 2 59 ILE MG . . 3.500 2.369 2.196 2.530 . 0 0 "[ . 1 . 2 ]" 1 3719 2 22 GLY QA 2 57 ILE MG . . 4.500 2.531 2.322 2.736 . 0 0 "[ . 1 . 2 ]" 1 3720 2 23 TRP HA 2 26 GLN QE 4.500 . 4.500 3.350 2.868 3.831 . 0 0 "[ . 1 . 2 ]" 1 3721 2 23 TRP HA 2 26 GLN QG 4.500 . 4.500 2.634 2.297 2.875 . 0 0 "[ . 1 . 2 ]" 1 3722 2 23 TRP HA 2 25 LYS QB 4.500 . 4.500 3.606 3.406 3.783 . 0 0 "[ . 1 . 2 ]" 1 3723 2 23 TRP HA 2 57 ILE MD . . 3.500 2.630 2.408 2.897 . 0 0 "[ . 1 . 2 ]" 1 3724 2 23 TRP QB 2 131 LEU QD 5.500 . 5.500 3.295 2.602 3.572 . 0 0 "[ . 1 . 2 ]" 1 3725 2 23 TRP QB 2 131 LEU QD 5.500 . 5.500 2.783 2.253 3.051 . 0 0 "[ . 1 . 2 ]" 1 3726 2 23 TRP QB 2 128 GLY QA 5.500 . 5.500 2.227 2.083 2.355 . 0 0 "[ . 1 . 2 ]" 1 3727 2 23 TRP QB 2 131 LEU QB 5.500 . 5.500 2.571 2.399 2.729 . 0 0 "[ . 1 . 2 ]" 1 3728 2 23 TRP QB 2 26 GLN H 5.500 . 5.500 5.178 4.971 5.523 0.023 14 0 "[ . 1 . 2 ]" 1 3729 2 24 ALA HA 2 27 TYR H 4.500 . 4.500 3.871 3.668 4.053 . 0 0 "[ . 1 . 2 ]" 1 3730 2 24 ALA HA 2 25 LYS H 5.500 . 5.500 3.641 3.599 3.664 . 0 0 "[ . 1 . 2 ]" 1 3731 2 24 ALA HA 2 26 GLN H 5.500 . 5.500 4.357 4.177 4.485 . 0 0 "[ . 1 . 2 ]" 1 3732 2 24 ALA HA 2 26 GLN QE 5.500 . 5.500 4.496 2.867 5.290 . 0 0 "[ . 1 . 2 ]" 1 3733 2 23 TRP QB 2 24 ALA HA 5.500 . 5.500 3.388 3.232 3.570 . 0 0 "[ . 1 . 2 ]" 1 3734 2 24 ALA HA 2 27 TYR QB 4.500 . 4.500 3.921 3.490 4.550 0.050 3 0 "[ . 1 . 2 ]" 1 3735 2 24 ALA HA 2 25 LYS QB 4.500 . 4.500 2.450 2.186 2.881 . 0 0 "[ . 1 . 2 ]" 1 3736 2 24 ALA HA 2 131 LEU QB 5.500 . 5.500 2.449 2.186 2.874 . 0 0 "[ . 1 . 2 ]" 1 3737 2 24 ALA HA 2 131 LEU QD 3.500 . 3.500 2.552 2.172 3.179 . 0 0 "[ . 1 . 2 ]" 1 3738 2 24 ALA HA 2 131 LEU QD 4.500 . 4.500 2.405 2.042 2.963 . 0 0 "[ . 1 . 2 ]" 1 3739 2 24 ALA HA 2 34 VAL QG 5.500 . 5.500 4.342 4.020 5.093 . 0 0 "[ . 1 . 2 ]" 1 3740 2 24 ALA HA 2 28 LEU QD . . 4.500 3.137 2.258 3.644 . 0 0 "[ . 1 . 2 ]" 1 3741 2 6 ILE MD 2 24 ALA MB 5.500 . 5.500 4.023 3.548 4.441 . 0 0 "[ . 1 . 2 ]" 1 3742 2 24 ALA MB 2 28 LEU QD 2.800 . 2.800 2.116 2.009 2.345 . 0 0 "[ . 1 . 2 ]" 1 3743 2 24 ALA MB 2 34 VAL QG 2.800 . 2.800 2.080 1.837 2.649 . 0 0 "[ . 1 . 2 ]" 1 3744 2 24 ALA MB 2 131 LEU QD 2.800 . 2.800 1.987 1.910 2.181 . 0 0 "[ . 1 . 2 ]" 1 3745 2 24 ALA MB 2 25 LYS QB 3.500 . 3.500 3.228 2.893 3.399 . 0 0 "[ . 1 . 2 ]" 1 3746 2 23 TRP QB 2 24 ALA MB 5.500 . 5.500 3.591 3.488 3.722 . 0 0 "[ . 1 . 2 ]" 1 3747 2 24 ALA MB 2 28 LEU HA 5.500 . 5.500 5.408 4.973 5.621 0.121 20 0 "[ . 1 . 2 ]" 1 3748 2 24 ALA MB 2 27 TYR H 5.500 . 5.500 4.453 4.271 4.610 . 0 0 "[ . 1 . 2 ]" 1 3749 2 23 TRP H 2 24 ALA MB 4.500 . 4.500 3.840 3.624 3.965 . 0 0 "[ . 1 . 2 ]" 1 3750 2 25 LYS HA 2 28 LEU H 4.500 . 4.500 2.863 2.600 3.207 . 0 0 "[ . 1 . 2 ]" 1 3751 2 25 LYS H 2 25 LYS HA 2.800 . 2.800 2.737 2.714 2.755 . 0 0 "[ . 1 . 2 ]" 1 3752 2 115 GLU HA 2 115 GLU QB 2.800 . 2.800 2.393 2.359 2.436 . 0 0 "[ . 1 . 2 ]" 1 3753 2 24 ALA MB 2 25 LYS HA 3.500 . 3.500 3.552 3.530 3.638 0.138 1 0 "[ . 1 . 2 ]" 1 3754 2 25 LYS HA 2 25 LYS QG 2.800 . 2.800 1.918 1.826 2.013 . 0 0 "[ . 1 . 2 ]" 1 3755 2 25 LYS HA 2 34 VAL QG 4.500 . 4.500 3.813 3.458 4.473 . 0 0 "[ . 1 . 2 ]" 1 3756 2 25 LYS HA 2 25 LYS QB 2.800 . 2.800 2.517 2.425 2.576 . 0 0 "[ . 1 . 2 ]" 1 3757 2 46 PRO QB 2 47 ASN H 4.500 . 4.500 3.549 3.447 3.637 . 0 0 "[ . 1 . 2 ]" 1 3758 2 25 LYS QB 2 27 TYR H 4.500 . 4.500 4.728 4.614 4.835 0.335 9 0 "[ . 1 . 2 ]" 1 3759 2 22 GLY H 2 25 LYS QB 5.500 . 5.500 4.658 4.377 4.827 . 0 0 "[ . 1 . 2 ]" 1 3760 2 25 LYS QB 2 26 GLN H 5.500 . 5.500 3.199 3.008 3.483 . 0 0 "[ . 1 . 2 ]" 1 3761 2 45 ASN HA 2 46 PRO QB 5.500 . 5.500 4.765 4.698 4.793 . 0 0 "[ . 1 . 2 ]" 1 3762 2 113 GLU HA 2 116 LYS QB 2.800 . 2.800 2.987 2.655 3.207 0.407 14 0 "[ . 1 . 2 ]" 1 3763 2 46 PRO QB 2 46 PRO QD 3.500 . 3.500 2.695 2.687 2.705 . 0 0 "[ . 1 . 2 ]" 1 3764 2 25 LYS QB 2 25 LYS QD 2.800 . 2.800 2.066 1.975 2.194 . 0 0 "[ . 1 . 2 ]" 1 3765 2 25 LYS QB 2 49 VAL QG 5.500 . 5.500 3.473 3.352 3.523 . 0 0 "[ . 1 . 2 ]" 1 3766 2 77 LEU QD 2 97 LYS QB 2.800 . 2.800 2.594 2.188 3.200 0.400 10 0 "[ . 1 . 2 ]" 1 3767 2 25 LYS QG 2 29 GLY H 5.500 . 5.500 5.391 3.082 6.245 0.745 2 6 "[ + *. ** 1 * - 2 ]" 1 3768 2 97 LYS HA 2 97 LYS QD 3.500 . 3.500 3.592 3.443 3.668 0.168 19 0 "[ . 1 . 2 ]" 1 3769 2 25 LYS QD 2 26 GLN HA 5.500 . 5.500 5.944 4.807 6.404 0.904 1 16 "[+ * * * ****-*******]" 1 3770 2 97 LYS QD 2 98 ARG QB 5.500 . 5.500 4.183 4.025 4.366 . 0 0 "[ . 1 . 2 ]" 1 3771 2 77 LEU HG 2 97 LYS QD 4.500 . 4.500 3.911 2.267 5.428 0.928 1 1 "[+ . 1 . 2 ]" 1 3772 2 25 LYS QD 2 59 ILE MG 2.800 . 2.800 2.071 1.911 2.692 . 0 0 "[ . 1 . 2 ]" 1 3773 2 77 LEU QD 2 97 LYS QD 5.500 . 5.500 2.071 1.912 2.694 . 0 0 "[ . 1 . 2 ]" 1 3774 2 25 LYS QE 2 33 LYS QG 4.500 . 4.500 4.555 4.120 5.377 0.877 1 1 "[+ . 1 . 2 ]" 1 3775 2 25 LYS QE 2 25 LYS QG 3.500 . 3.500 2.330 2.098 2.519 . 0 0 "[ . 1 . 2 ]" 1 3776 2 25 LYS QB 2 25 LYS QE . . 3.500 3.746 3.565 3.917 0.417 10 0 "[ . 1 . 2 ]" 1 3777 2 26 GLN HA 2 28 LEU H 5.500 . 5.500 4.731 4.360 5.233 . 0 0 "[ . 1 . 2 ]" 1 3778 2 26 GLN HA 2 27 TYR H 3.500 . 3.500 3.440 3.388 3.479 . 0 0 "[ . 1 . 2 ]" 1 3779 2 26 GLN HA 2 26 GLN QE 5.500 . 5.500 4.698 4.379 4.929 . 0 0 "[ . 1 . 2 ]" 1 3780 2 26 GLN HA 2 26 GLN QE 5.500 . 5.500 5.501 5.008 5.585 0.085 3 0 "[ . 1 . 2 ]" 1 3781 2 26 GLN HA 2 27 TYR HA 4.500 . 4.500 4.554 4.529 4.588 0.088 8 0 "[ . 1 . 2 ]" 1 3782 2 26 GLN HA 2 26 GLN QB 2.800 . 2.800 2.129 2.105 2.186 . 0 0 "[ . 1 . 2 ]" 1 3783 2 26 GLN HA 2 57 ILE MD 5.500 . 5.500 4.446 4.272 4.626 . 0 0 "[ . 1 . 2 ]" 1 3784 2 26 GLN QB 2 58 ASP H 5.500 . 5.500 4.479 3.945 4.990 . 0 0 "[ . 1 . 2 ]" 1 3785 2 23 TRP H 2 26 GLN QB 5.500 . 5.500 4.939 4.709 5.117 . 0 0 "[ . 1 . 2 ]" 1 3786 2 26 GLN QB 2 27 TYR H 4.500 . 4.500 3.882 3.791 3.949 . 0 0 "[ . 1 . 2 ]" 1 3787 2 26 GLN QB 2 27 TYR H 4.500 . 4.500 3.798 3.729 3.869 . 0 0 "[ . 1 . 2 ]" 1 3788 2 25 LYS H 2 26 GLN QB 5.500 . 5.500 5.025 4.868 5.190 . 0 0 "[ . 1 . 2 ]" 1 3789 2 23 TRP HA 2 26 GLN QB 5.500 . 5.500 4.220 3.793 4.620 . 0 0 "[ . 1 . 2 ]" 1 3790 2 26 GLN QB 2 50 LYS HA 4.500 . 4.500 4.067 3.872 4.211 . 0 0 "[ . 1 . 2 ]" 1 3791 2 26 GLN QB 2 57 ILE HA 5.500 . 5.500 5.510 5.207 5.721 0.221 1 0 "[ . 1 . 2 ]" 1 3792 2 26 GLN QB 2 57 ILE MD 4.500 . 4.500 2.320 2.109 2.579 . 0 0 "[ . 1 . 2 ]" 1 3793 2 26 GLN QB 2 57 ILE MD 4.500 . 4.500 2.336 2.117 2.602 . 0 0 "[ . 1 . 2 ]" 1 3794 2 26 GLN QG 2 57 ILE MD . . 2.800 2.271 2.156 2.511 . 0 0 "[ . 1 . 2 ]" 1 3795 2 26 GLN QG 2 57 ILE MG . . 4.500 4.228 3.948 4.482 . 0 0 "[ . 1 . 2 ]" 1 3796 2 26 GLN QG 2 27 TYR QB 5.500 . 5.500 3.066 2.560 4.162 . 0 0 "[ . 1 . 2 ]" 1 3797 2 26 GLN HA 2 26 GLN QG 3.500 . 3.500 3.390 3.311 3.429 . 0 0 "[ . 1 . 2 ]" 1 3798 2 26 GLN QG 2 27 TYR HA . . 4.500 4.179 3.884 4.470 . 0 0 "[ . 1 . 2 ]" 1 3799 2 26 GLN QE 2 26 GLN QG 2.800 . 2.800 2.032 1.948 2.266 . 0 0 "[ . 1 . 2 ]" 1 3800 2 26 GLN H 2 26 GLN QG 2.800 . 2.800 2.505 2.072 2.730 . 0 0 "[ . 1 . 2 ]" 1 3801 2 25 LYS H 2 26 GLN QG 5.500 . 5.500 4.594 4.022 4.831 . 0 0 "[ . 1 . 2 ]" 1 3802 2 26 GLN QG 2 27 TYR H . . 3.500 2.789 2.506 2.984 . 0 0 "[ . 1 . 2 ]" 1 3803 2 27 TYR QB 2 136 GLU H 5.500 . 5.500 5.460 5.272 5.560 0.060 21 0 "[ . 1 . 2 ]" 1 3804 2 25 LYS H 2 27 TYR QB 5.500 . 5.500 5.020 4.892 5.125 . 0 0 "[ . 1 . 2 ]" 1 3805 2 26 GLN H 2 27 TYR QB 5.500 . 5.500 4.588 4.351 5.424 . 0 0 "[ . 1 . 2 ]" 1 3806 2 27 TYR HA 2 27 TYR QB . . 2.800 2.517 2.189 2.571 . 0 0 "[ . 1 . 2 ]" 1 3807 2 24 ALA MB 2 27 TYR QB 5.500 . 5.500 3.596 2.831 4.883 . 0 0 "[ . 1 . 2 ]" 1 3808 2 27 TYR QB 2 135 ALA MB . . 2.800 2.204 1.999 2.453 . 0 0 "[ . 1 . 2 ]" 1 3809 2 27 TYR QB 2 28 LEU QD . . 4.500 3.253 2.248 3.906 . 0 0 "[ . 1 . 2 ]" 1 3810 2 28 LEU HA 2 28 LEU QD . . 2.800 2.202 2.043 2.683 . 0 0 "[ . 1 . 2 ]" 1 3811 2 28 LEU HA 2 32 TRP QB 5.500 . 5.500 4.020 3.403 4.932 . 0 0 "[ . 1 . 2 ]" 1 3812 2 28 LEU HA 2 29 GLY QA 5.500 . 5.500 4.090 3.989 4.305 . 0 0 "[ . 1 . 2 ]" 1 3813 2 28 LEU HA 2 32 TRP HD1 5.500 . 5.500 3.031 2.469 3.623 . 0 0 "[ . 1 . 2 ]" 1 3814 2 28 LEU HA 2 28 LEU HG 3.500 . 3.500 3.076 2.365 3.427 . 0 0 "[ . 1 . 2 ]" 1 3815 2 28 LEU QB 2 32 TRP HD1 5.500 . 5.500 3.053 2.183 4.582 . 0 0 "[ . 1 . 2 ]" 1 3816 2 28 LEU QB 2 28 LEU QD . . 2.800 1.971 1.931 2.001 . 0 0 "[ . 1 . 2 ]" 1 3817 2 28 LEU QB 2 28 LEU HG 2.800 . 2.800 2.357 2.289 2.515 . 0 0 "[ . 1 . 2 ]" 1 3818 2 28 LEU H 2 28 LEU HG 4.500 . 4.500 3.101 2.645 4.360 . 0 0 "[ . 1 . 2 ]" 1 3819 2 6 ILE MD 2 28 LEU QD 3.500 . 3.500 2.949 2.401 3.395 . 0 0 "[ . 1 . 2 ]" 1 3820 2 6 ILE MG 2 28 LEU QD 2.800 . 2.800 2.289 1.950 2.694 . 0 0 "[ . 1 . 2 ]" 1 3821 2 28 LEU QD 2 131 LEU QD . . 3.500 2.345 2.044 2.803 . 0 0 "[ . 1 . 2 ]" 1 3822 2 28 LEU QD 2 131 LEU QB . . 2.800 2.092 1.990 2.344 . 0 0 "[ . 1 . 2 ]" 1 3823 2 28 LEU QD 2 132 LYS HA 4.500 . 4.500 4.437 3.573 4.948 0.448 1 0 "[ . 1 . 2 ]" 1 3824 2 28 LEU QD 2 135 ALA HA . . 2.800 2.384 2.133 2.827 0.027 18 0 "[ . 1 . 2 ]" 1 3825 2 28 LEU QD 2 29 GLY QA 5.500 . 5.500 3.825 3.388 4.165 . 0 0 "[ . 1 . 2 ]" 1 3826 2 28 LEU QD 2 32 TRP HA 5.500 . 5.500 4.802 4.408 5.130 . 0 0 "[ . 1 . 2 ]" 1 3827 2 28 LEU QD 2 134 PHE QD 3.500 . 3.500 2.382 1.924 3.528 0.028 3 0 "[ . 1 . 2 ]" 1 3828 2 28 LEU QD 2 32 TRP HD1 4.500 . 4.500 3.512 3.013 4.044 . 0 0 "[ . 1 . 2 ]" 1 3829 2 25 LYS H 2 28 LEU QD 5.500 . 5.500 3.968 3.792 4.149 . 0 0 "[ . 1 . 2 ]" 1 3830 2 28 LEU QD 2 29 GLY QA 5.500 . 5.500 4.966 4.689 5.175 . 0 0 "[ . 1 . 2 ]" 1 3831 2 29 GLY QA 2 30 ASP QB 4.500 . 4.500 3.870 3.801 3.973 . 0 0 "[ . 1 . 2 ]" 1 3832 2 28 LEU QB 2 29 GLY QA 4.500 . 4.500 3.447 3.004 3.817 . 0 0 "[ . 1 . 2 ]" 1 3833 2 25 LYS QB 2 29 GLY QA 4.500 . 4.500 3.373 2.971 3.669 . 0 0 "[ . 1 . 2 ]" 1 3834 2 28 LEU HA 2 29 GLY QA 3.500 . 3.500 3.611 3.541 3.724 0.224 10 0 "[ . 1 . 2 ]" 1 3835 2 29 GLY QA 2 32 TRP HD1 5.500 . 5.500 3.837 3.554 4.012 . 0 0 "[ . 1 . 2 ]" 1 3836 2 28 LEU H 2 29 GLY QA 5.500 . 5.500 4.325 3.980 4.595 . 0 0 "[ . 1 . 2 ]" 1 3837 2 29 GLY QA 2 32 TRP HE1 5.500 . 5.500 5.387 4.708 5.573 0.073 1 0 "[ . 1 . 2 ]" 1 3838 2 29 GLY QA 2 30 ASP HA 5.500 . 5.500 4.020 3.920 4.085 . 0 0 "[ . 1 . 2 ]" 1 3839 2 30 ASP HA 2 30 ASP QB 2.800 . 2.800 2.361 2.352 2.382 . 0 0 "[ . 1 . 2 ]" 1 3840 2 30 ASP HA 2 31 GLU QB 5.500 . 5.500 4.803 4.718 4.840 . 0 0 "[ . 1 . 2 ]" 1 3841 2 29 GLY QA 2 30 ASP QB 3.500 . 3.500 3.654 3.583 3.727 0.227 20 0 "[ . 1 . 2 ]" 1 3842 2 30 ASP QB 2 31 GLU QB 4.500 . 4.500 4.210 3.592 4.532 0.032 15 0 "[ . 1 . 2 ]" 1 3843 2 31 GLU HA 2 32 TRP H 3.500 . 3.500 3.495 3.437 3.566 0.066 18 0 "[ . 1 . 2 ]" 1 3844 2 3 ASN HA 2 31 GLU HA 4.500 . 4.500 3.861 3.525 4.318 . 0 0 "[ . 1 . 2 ]" 1 3845 2 30 ASP QB 2 31 GLU HA 4.500 . 4.500 4.487 4.378 4.590 0.090 8 0 "[ . 1 . 2 ]" 1 3846 2 3 ASN QB 2 31 GLU HA 5.500 . 5.500 5.429 4.814 5.584 0.084 15 0 "[ . 1 . 2 ]" 1 3847 2 31 GLU HA 2 31 GLU QG 2.800 . 2.800 2.587 2.389 2.900 0.100 8 0 "[ . 1 . 2 ]" 1 3848 2 30 ASP HA 2 31 GLU HA 5.500 . 5.500 4.932 4.817 4.996 . 0 0 "[ . 1 . 2 ]" 1 3849 2 31 GLU QB 2 32 TRP H 4.500 . 4.500 3.083 2.602 3.258 . 0 0 "[ . 1 . 2 ]" 1 3850 2 31 GLU QB 2 32 TRP HD1 4.500 . 4.500 2.420 2.287 2.712 . 0 0 "[ . 1 . 2 ]" 1 3851 2 2 GLU HA 2 31 GLU QB 2.800 . 2.800 2.334 2.279 2.424 . 0 0 "[ . 1 . 2 ]" 1 3852 2 29 GLY H 2 31 GLU QB 4.500 . 4.500 4.039 3.748 4.518 0.018 18 0 "[ . 1 . 2 ]" 1 3853 2 31 GLU QG 2 32 TRP HE1 5.500 . 5.500 3.349 2.598 5.440 . 0 0 "[ . 1 . 2 ]" 1 3854 2 31 GLU QG 2 32 TRP H 4.500 . 4.500 3.984 3.697 4.500 0.000 7 0 "[ . 1 . 2 ]" 1 3855 2 4 LYS H 2 31 GLU QG 5.500 . 5.500 4.606 3.909 5.160 . 0 0 "[ . 1 . 2 ]" 1 3856 2 29 GLY H 2 31 GLU QG 5.500 . 5.500 5.559 5.363 5.876 0.376 1 0 "[ . 1 . 2 ]" 1 3857 2 31 GLU QG 2 32 TRP HD1 4.500 . 4.500 3.447 2.927 4.512 0.012 18 0 "[ . 1 . 2 ]" 1 3858 2 2 GLU HA 2 31 GLU QG 2.800 . 2.800 2.433 2.039 2.894 0.094 8 0 "[ . 1 . 2 ]" 1 3859 2 4 LYS QD 2 31 GLU QG 4.500 . 4.500 3.506 2.343 4.119 . 0 0 "[ . 1 . 2 ]" 1 3860 2 4 LYS QB 2 31 GLU QG 3.500 . 3.500 3.308 2.309 3.999 0.499 7 0 "[ . 1 . 2 ]" 1 3861 2 3 ASN QD 2 32 TRP HA 4.500 . 4.500 4.469 3.836 5.069 0.569 21 1 "[ . 1 . 2+]" 1 3862 2 28 LEU QB 2 32 TRP HA 5.500 . 5.500 4.248 3.654 4.593 . 0 0 "[ . 1 . 2 ]" 1 3863 2 32 TRP HA 2 33 LYS QB 4.500 . 4.500 4.205 3.755 4.441 . 0 0 "[ . 1 . 2 ]" 1 3864 2 4 LYS QG 2 32 TRP HA 4.500 . 4.500 3.555 2.145 4.269 . 0 0 "[ . 1 . 2 ]" 1 3865 2 4 LYS QB 2 32 TRP HA 5.500 . 5.500 2.931 2.287 4.282 . 0 0 "[ . 1 . 2 ]" 1 3866 2 6 ILE MG 2 32 TRP QB 4.500 . 4.500 2.719 2.268 3.379 . 0 0 "[ . 1 . 2 ]" 1 3867 2 32 TRP HA 2 33 LYS HA 4.500 . 4.500 4.547 4.502 4.602 0.102 8 0 "[ . 1 . 2 ]" 1 3868 2 25 LYS QB 2 33 LYS HA 4.500 . 4.500 4.347 3.929 4.713 0.213 14 0 "[ . 1 . 2 ]" 1 3869 2 33 LYS HA 2 33 LYS QD 2.800 . 2.800 2.548 2.206 3.248 0.448 3 0 "[ . 1 . 2 ]" 1 3870 2 33 LYS HA 2 33 LYS QB 2.800 . 2.800 2.456 2.344 2.582 . 0 0 "[ . 1 . 2 ]" 1 3871 2 33 LYS HA 2 33 LYS QG 3.500 . 3.500 2.545 2.058 2.953 . 0 0 "[ . 1 . 2 ]" 1 3872 2 33 LYS HA 2 34 VAL QG . . 3.500 3.328 2.960 3.555 0.055 14 0 "[ . 1 . 2 ]" 1 3873 2 33 LYS QB 2 34 VAL H 4.500 . 4.500 3.315 2.645 3.834 . 0 0 "[ . 1 . 2 ]" 1 3874 2 5 ILE HA 2 33 LYS QB 5.500 . 5.500 2.774 2.332 3.097 . 0 0 "[ . 1 . 2 ]" 1 3875 2 5 ILE QG 2 33 LYS QB 3.500 . 3.500 2.211 2.063 3.146 . 0 0 "[ . 1 . 2 ]" 1 3876 2 5 ILE MG 2 33 LYS QB 2.800 . 2.800 3.180 2.897 3.248 0.448 2 0 "[ . 1 . 2 ]" 1 3877 2 8 PHE QD 2 81 LEU QD 4.500 . 4.500 2.494 2.001 2.969 . 0 0 "[ . 1 . 2 ]" 1 3878 2 8 PHE HA 2 33 LYS QG 4.500 . 4.500 3.520 2.667 4.076 . 0 0 "[ . 1 . 2 ]" 1 3879 2 33 LYS QE 2 33 LYS QG 2.800 . 2.800 2.316 2.021 2.848 0.048 13 0 "[ . 1 . 2 ]" 1 3880 2 4 LYS QG 2 33 LYS QG 4.500 . 4.500 3.292 2.816 4.088 . 0 0 "[ . 1 . 2 ]" 1 3881 2 33 LYS QD 2 34 VAL H 4.500 . 4.500 3.566 2.188 4.487 . 0 0 "[ . 1 . 2 ]" 1 3882 2 5 ILE QG 2 33 LYS QD 5.500 . 5.500 4.808 3.715 5.741 0.241 14 0 "[ . 1 . 2 ]" 1 3883 2 53 LYS QE 2 58 ASP HA 3.500 . 3.500 2.418 2.179 3.521 0.021 3 0 "[ . 1 . 2 ]" 1 3884 2 50 LYS HA 2 53 LYS QE 4.500 . 4.500 4.620 4.132 5.022 0.522 8 1 "[ . + 1 . 2 ]" 1 3885 2 53 LYS HA 2 53 LYS QE 5.500 . 5.500 4.024 3.923 4.390 . 0 0 "[ . 1 . 2 ]" 1 3886 2 3 ASN QB 2 33 LYS QE 3.500 . 3.500 3.218 2.497 3.514 0.014 5 0 "[ . 1 . 2 ]" 1 3887 2 49 VAL HB 2 53 LYS QE 5.500 . 5.500 4.859 4.377 5.354 . 0 0 "[ . 1 . 2 ]" 1 3888 2 53 LYS QB 2 53 LYS QE 2.800 . 2.800 3.693 3.582 3.812 1.012 4 21 [**-+*****************] 1 3889 2 53 LYS QE 2 53 LYS QG 2.800 . 2.800 2.086 2.029 2.174 . 0 0 "[ . 1 . 2 ]" 1 3890 2 49 VAL QG 2 53 LYS QE 2.800 . 2.800 2.424 2.030 2.811 0.011 21 0 "[ . 1 . 2 ]" 1 3891 2 24 ALA MB 2 34 VAL HA 5.500 . 5.500 4.138 3.987 4.339 . 0 0 "[ . 1 . 2 ]" 1 3892 2 34 VAL HA 2 34 VAL QG . . 2.800 2.207 2.079 2.335 . 0 0 "[ . 1 . 2 ]" 1 3893 2 6 ILE MG 2 34 VAL HA 2.800 . 2.800 2.018 1.887 2.081 . 0 0 "[ . 1 . 2 ]" 1 3894 2 24 ALA MB 2 34 VAL HB 3.500 . 3.500 3.503 3.028 3.732 0.232 1 0 "[ . 1 . 2 ]" 1 3895 2 46 PRO HA 2 50 LYS QB . . 4.500 4.004 3.924 4.088 . 0 0 "[ . 1 . 2 ]" 1 3896 2 34 VAL H 2 34 VAL HB 2.800 . 2.800 2.730 2.419 2.878 0.078 16 0 "[ . 1 . 2 ]" 1 3897 2 6 ILE H 2 34 VAL QG 5.500 . 5.500 4.019 3.574 4.413 . 0 0 "[ . 1 . 2 ]" 1 3898 2 32 TRP QB 2 34 VAL QG 4.500 . 4.500 3.367 2.456 4.507 0.007 13 0 "[ . 1 . 2 ]" 1 3899 2 25 LYS QG 2 34 VAL QG 3.500 . 3.500 3.018 2.058 3.974 0.474 10 0 "[ . 1 . 2 ]" 1 3900 2 33 LYS QG 2 34 VAL QG 5.500 . 5.500 4.851 4.243 5.406 . 0 0 "[ . 1 . 2 ]" 1 3901 2 28 LEU QD 2 34 VAL QG . . 3.500 2.780 2.007 3.535 0.035 16 0 "[ . 1 . 2 ]" 1 3902 2 6 ILE MD 2 34 VAL QG 5.500 . 5.500 3.165 2.161 4.064 . 0 0 "[ . 1 . 2 ]" 1 3903 2 21 GLU QB 2 34 VAL QG 2.800 . 2.800 2.293 1.904 2.845 0.045 20 0 "[ . 1 . 2 ]" 1 3904 2 5 ILE MG 2 35 TYR HA 5.500 . 5.500 5.265 4.971 5.518 0.018 21 0 "[ . 1 . 2 ]" 1 3905 2 35 TYR HA 2 71 ILE MG 5.500 . 5.500 5.369 4.624 5.547 0.047 6 0 "[ . 1 . 2 ]" 1 3906 2 35 TYR QB 2 71 ILE MG 5.500 . 5.500 3.158 2.372 3.729 . 0 0 "[ . 1 . 2 ]" 1 3907 2 35 TYR QB 2 71 ILE MD 5.500 . 5.500 4.548 4.194 5.047 . 0 0 "[ . 1 . 2 ]" 1 3908 2 5 ILE MG 2 35 TYR QB 5.500 . 5.500 3.600 3.110 3.884 . 0 0 "[ . 1 . 2 ]" 1 3909 2 6 ILE QG 2 35 TYR QB 5.500 . 5.500 4.026 3.843 4.193 . 0 0 "[ . 1 . 2 ]" 1 3910 2 35 TYR QB 2 36 SER H 5.500 . 5.500 2.737 2.282 3.161 . 0 0 "[ . 1 . 2 ]" 1 3911 2 8 PHE H 2 36 SER HA 3.500 . 3.500 2.073 1.906 2.197 . 0 0 "[ . 1 . 2 ]" 1 3912 2 13 ASN QD 2 36 SER HA 5.500 . 5.500 4.383 3.987 5.189 . 0 0 "[ . 1 . 2 ]" 1 3913 2 36 SER HA 2 37 ALA MB 5.500 . 5.500 3.847 3.620 4.111 . 0 0 "[ . 1 . 2 ]" 1 3914 2 6 ILE QG 2 36 SER HA 5.500 . 5.500 4.851 4.292 5.250 . 0 0 "[ . 1 . 2 ]" 1 3915 2 8 PHE H 2 36 SER QB 5.500 . 5.500 2.857 2.282 3.385 . 0 0 "[ . 1 . 2 ]" 1 3916 2 21 GLU QB 2 36 SER QB 5.500 . 5.500 3.464 2.997 3.907 . 0 0 "[ . 1 . 2 ]" 1 3917 2 37 ALA HA 2 67 ILE MG 5.500 . 5.500 4.604 4.123 4.856 . 0 0 "[ . 1 . 2 ]" 1 3918 2 37 ALA HA 2 65 ASP QB 4.500 . 4.500 4.490 3.975 4.863 0.363 1 0 "[ . 1 . 2 ]" 1 3919 2 37 ALA HA 2 65 ASP HA 4.500 . 4.500 3.939 3.267 4.245 . 0 0 "[ . 1 . 2 ]" 1 3920 2 13 ASN QD 2 37 ALA HA 5.500 . 5.500 3.848 2.990 4.443 . 0 0 "[ . 1 . 2 ]" 1 3921 2 9 LEU QD 2 37 ALA HA 5.500 . 5.500 4.339 4.060 4.654 . 0 0 "[ . 1 . 2 ]" 1 3922 2 23 TRP H 2 131 LEU QD 5.500 . 5.500 4.007 3.606 4.360 . 0 0 "[ . 1 . 2 ]" 1 3923 2 37 ALA MB 2 67 ILE H 3.500 . 3.500 3.197 3.055 3.345 . 0 0 "[ . 1 . 2 ]" 1 3924 2 7 TYR QD 2 37 ALA MB 3.500 . 3.500 3.433 2.666 3.883 0.383 1 0 "[ . 1 . 2 ]" 1 3925 2 23 TRP HD1 2 131 LEU QD 5.500 . 5.500 5.086 4.450 5.506 0.006 18 0 "[ . 1 . 2 ]" 1 3926 2 37 ALA MB 2 65 ASP HA 4.500 . 4.500 3.523 3.237 4.049 . 0 0 "[ . 1 . 2 ]" 1 3927 2 21 GLU HA 2 131 LEU QD 5.500 . 5.500 4.090 3.773 4.452 . 0 0 "[ . 1 . 2 ]" 1 3928 2 37 ALA MB 2 67 ILE HA 2.800 . 2.800 2.050 1.900 2.135 . 0 0 "[ . 1 . 2 ]" 1 3929 2 37 ALA MB 2 65 ASP QB 4.500 . 4.500 4.103 3.731 4.522 0.022 10 0 "[ . 1 . 2 ]" 1 3930 2 13 ASN QB 2 37 ALA MB 4.500 . 4.500 3.672 3.439 4.019 . 0 0 "[ . 1 . 2 ]" 1 3931 2 131 LEU QB 2 131 LEU QD 2.800 . 2.800 2.087 2.054 2.116 . 0 0 "[ . 1 . 2 ]" 1 3932 2 24 ALA MB 2 131 LEU QD 2.800 . 2.800 2.099 1.988 2.297 . 0 0 "[ . 1 . 2 ]" 1 3933 2 131 LEU QB 2 131 LEU QD 2.800 . 2.800 2.084 2.046 2.114 . 0 0 "[ . 1 . 2 ]" 1 3934 2 6 ILE MG 2 37 ALA MB 3.500 . 3.500 2.865 2.256 3.172 . 0 0 "[ . 1 . 2 ]" 1 3935 2 37 ALA MB 2 67 ILE MG 3.500 . 3.500 2.482 2.098 2.831 . 0 0 "[ . 1 . 2 ]" 1 3936 2 28 LEU QD 2 131 LEU QD 3.500 . 3.500 2.082 1.970 2.448 . 0 0 "[ . 1 . 2 ]" 1 3937 2 6 ILE MD 2 37 ALA MB 5.500 . 5.500 2.933 2.437 3.236 . 0 0 "[ . 1 . 2 ]" 1 3938 2 6 ILE QG 2 37 ALA MB 2.800 . 2.800 2.370 2.005 2.816 0.016 1 0 "[ . 1 . 2 ]" 1 3939 2 38 GLY QA 2 67 ILE HA 5.500 . 5.500 4.783 4.366 5.197 . 0 0 "[ . 1 . 2 ]" 1 3940 2 38 GLY QA 2 39 ILE MD 5.500 . 5.500 4.585 4.404 4.864 . 0 0 "[ . 1 . 2 ]" 1 3941 2 38 GLY QA 2 39 ILE MG 5.500 . 5.500 2.519 2.297 2.781 . 0 0 "[ . 1 . 2 ]" 1 3942 2 38 GLY QA 2 41 ALA MB 5.500 . 5.500 2.452 2.264 3.075 . 0 0 "[ . 1 . 2 ]" 1 3943 2 39 ILE HA 2 40 GLU H 5.500 . 5.500 3.500 2.036 3.597 . 0 0 "[ . 1 . 2 ]" 1 3944 2 39 ILE HA 2 40 GLU QB 4.500 . 4.500 4.242 3.758 4.385 . 0 0 "[ . 1 . 2 ]" 1 3945 2 39 ILE HA 2 67 ILE QG 5.500 . 5.500 3.368 2.135 4.025 . 0 0 "[ . 1 . 2 ]" 1 3946 2 39 ILE HA 2 39 ILE MD 4.500 . 4.500 3.360 2.964 3.598 . 0 0 "[ . 1 . 2 ]" 1 3947 2 39 ILE HA 2 39 ILE MG 2.800 . 2.800 2.764 2.604 2.898 0.098 11 0 "[ . 1 . 2 ]" 1 3948 2 39 ILE HA 2 66 ILE HA 5.500 . 5.500 5.058 4.456 5.311 . 0 0 "[ . 1 . 2 ]" 1 3949 2 39 ILE HB 2 39 ILE MD . . 2.800 2.279 2.219 2.392 . 0 0 "[ . 1 . 2 ]" 1 3950 2 39 ILE HB 2 40 GLU QB 5.500 . 5.500 5.132 4.896 5.255 . 0 0 "[ . 1 . 2 ]" 1 3951 2 39 ILE MD 2 40 GLU H 4.500 . 4.500 4.406 3.751 4.508 0.008 12 0 "[ . 1 . 2 ]" 1 3952 2 39 ILE H 2 39 ILE MD 4.500 . 4.500 4.386 4.316 4.484 . 0 0 "[ . 1 . 2 ]" 1 3953 2 39 ILE MD 2 88 LYS HA 5.500 . 5.500 3.036 2.358 3.866 . 0 0 "[ . 1 . 2 ]" 1 3954 2 39 ILE MD 2 87 ASP HA 4.500 . 4.500 3.790 3.468 4.295 . 0 0 "[ . 1 . 2 ]" 1 3955 2 39 ILE HA 2 39 ILE MD 3.500 . 3.500 3.569 3.436 3.764 0.264 1 0 "[ . 1 . 2 ]" 1 3956 2 39 ILE MD 2 88 LYS QE . . 2.800 2.774 2.394 3.258 0.458 1 0 "[ . 1 . 2 ]" 1 3957 2 11 THR MG 2 39 ILE MD 4.500 . 4.500 2.108 1.915 2.321 . 0 0 "[ . 1 . 2 ]" 1 3958 2 39 ILE MD 2 39 ILE MG 2.800 . 2.800 2.236 2.138 2.371 . 0 0 "[ . 1 . 2 ]" 1 3959 2 11 THR H 2 39 ILE MG 5.500 . 5.500 4.920 4.458 5.552 0.052 10 0 "[ . 1 . 2 ]" 1 3960 2 10 SER H 2 39 ILE MG 4.500 . 4.500 4.580 4.508 4.782 0.282 1 0 "[ . 1 . 2 ]" 1 3961 2 39 ILE MG 2 67 ILE H 4.500 . 4.500 4.028 3.674 4.130 . 0 0 "[ . 1 . 2 ]" 1 3962 2 38 GLY QA 2 39 ILE MG 3.500 . 3.500 3.373 3.216 3.523 0.023 11 0 "[ . 1 . 2 ]" 1 3963 2 39 ILE MG 2 87 ASP HA 3.500 . 3.500 2.172 1.980 3.397 . 0 0 "[ . 1 . 2 ]" 1 3964 2 11 THR HB 2 39 ILE MG 5.500 . 5.500 3.801 3.680 3.989 . 0 0 "[ . 1 . 2 ]" 1 3965 2 12 GLY QA 2 39 ILE MG 4.500 . 4.500 2.623 2.107 3.166 . 0 0 "[ . 1 . 2 ]" 1 3966 2 39 ILE HA 2 39 ILE MG 3.500 . 3.500 3.255 3.233 3.281 . 0 0 "[ . 1 . 2 ]" 1 3967 2 39 ILE MG 2 40 GLU QG 2.800 . 2.800 2.237 1.990 2.856 0.056 11 0 "[ . 1 . 2 ]" 1 3968 2 39 ILE QG 2 39 ILE MG 2.800 . 2.800 2.186 2.046 2.302 . 0 0 "[ . 1 . 2 ]" 1 3969 2 39 ILE MG 2 88 LYS QB 2.800 . 2.800 2.578 2.375 2.681 . 0 0 "[ . 1 . 2 ]" 1 3970 2 9 LEU QD 2 39 ILE MG . . 3.500 3.494 3.195 3.609 0.109 14 0 "[ . 1 . 2 ]" 1 3971 2 67 ILE MD 2 68 ASP H 5.500 . 5.500 4.760 4.417 5.241 . 0 0 "[ . 1 . 2 ]" 1 3972 2 40 GLU HA 2 66 ILE QG 5.500 . 5.500 5.161 4.891 5.436 . 0 0 "[ . 1 . 2 ]" 1 3973 2 39 ILE QG 2 40 GLU HA 5.500 . 5.500 3.831 3.645 4.077 . 0 0 "[ . 1 . 2 ]" 1 3974 2 117 TRP H 2 118 ALA HA 5.500 . 5.500 5.323 5.267 5.434 . 0 0 "[ . 1 . 2 ]" 1 3975 2 40 GLU HA 2 41 ALA H 2.800 . 2.800 2.447 2.309 2.488 . 0 0 "[ . 1 . 2 ]" 1 3976 2 117 TRP HD1 2 118 ALA HA 5.500 . 5.500 4.397 3.929 4.702 . 0 0 "[ . 1 . 2 ]" 1 3977 2 118 ALA HA 2 121 GLN QG 5.500 . 5.500 4.428 2.084 4.778 . 0 0 "[ . 1 . 2 ]" 1 3978 2 40 GLU HA 2 66 ILE QG 5.500 . 5.500 5.298 5.013 5.540 0.040 20 0 "[ . 1 . 2 ]" 1 3979 2 39 ILE MG 2 40 GLU HA 5.500 . 5.500 4.341 4.187 4.693 . 0 0 "[ . 1 . 2 ]" 1 3980 2 118 ALA HA 2 121 GLN HA 5.500 . 5.500 5.546 5.410 5.732 0.232 4 0 "[ . 1 . 2 ]" 1 3981 2 91 MET QB 2 91 MET ME . . 2.800 3.428 3.386 3.584 0.784 1 21 [+*****-**************] 1 3982 2 91 MET QB 2 92 THR MG 5.500 . 5.500 5.228 4.957 5.422 . 0 0 "[ . 1 . 2 ]" 1 3983 2 39 ILE QG 2 40 GLU QB 2.800 . 2.800 2.682 2.513 2.845 0.045 3 0 "[ . 1 . 2 ]" 1 3984 2 40 GLU QB 2 41 ALA H 4.500 . 4.500 3.983 3.752 4.063 . 0 0 "[ . 1 . 2 ]" 1 3985 2 13 ASN H 2 41 ALA HA 5.500 . 5.500 4.274 3.658 4.674 . 0 0 "[ . 1 . 2 ]" 1 3986 2 41 ALA MB 2 42 HIS H 5.500 . 5.500 2.860 2.560 3.349 . 0 0 "[ . 1 . 2 ]" 1 3987 2 41 ALA MB 2 66 ILE H 4.500 . 4.500 3.867 3.591 4.003 . 0 0 "[ . 1 . 2 ]" 1 3988 2 13 ASN QD 2 41 ALA MB 5.500 . 5.500 3.338 2.593 3.758 . 0 0 "[ . 1 . 2 ]" 1 3989 2 38 GLY QA 2 41 ALA MB 3.500 . 3.500 2.028 1.946 2.182 . 0 0 "[ . 1 . 2 ]" 1 3990 2 37 ALA HA 2 41 ALA MB 5.500 . 5.500 2.941 2.525 3.737 . 0 0 "[ . 1 . 2 ]" 1 3991 2 41 ALA MB 2 64 SER QB 5.500 . 5.500 3.035 2.513 3.762 . 0 0 "[ . 1 . 2 ]" 1 3992 2 13 ASN QB 2 41 ALA MB 4.500 . 4.500 2.029 1.893 2.386 . 0 0 "[ . 1 . 2 ]" 1 3993 2 41 ALA MB 2 66 ILE HB 5.500 . 5.500 4.359 4.148 4.490 . 0 0 "[ . 1 . 2 ]" 1 3994 2 39 ILE QG 2 41 ALA MB 5.500 . 5.500 5.524 5.118 5.706 0.206 1 0 "[ . 1 . 2 ]" 1 3995 2 41 ALA MB 2 66 ILE QG 4.500 . 4.500 4.537 4.253 4.674 0.174 1 0 "[ . 1 . 2 ]" 1 3996 2 37 ALA MB 2 41 ALA MB 4.500 . 4.500 3.506 3.185 4.074 . 0 0 "[ . 1 . 2 ]" 1 3997 2 95 HIS HA 2 95 HIS QB 2.800 . 2.800 2.349 2.143 2.415 . 0 0 "[ . 1 . 2 ]" 1 3998 2 111 GLY QA 2 115 GLU QB 5.500 . 5.500 4.069 3.980 4.362 . 0 0 "[ . 1 . 2 ]" 1 3999 2 111 GLY QA 2 115 GLU QB 4.500 . 4.500 4.190 4.105 4.485 . 0 0 "[ . 1 . 2 ]" 1 4000 2 14 SER HA 2 44 LEU HA 5.500 . 5.500 4.111 3.504 4.799 . 0 0 "[ . 1 . 2 ]" 1 4001 2 43 GLY QA 2 44 LEU HA 4.500 . 4.500 4.003 3.905 4.116 . 0 0 "[ . 1 . 2 ]" 1 4002 2 18 GLN QB 2 44 LEU HA 2.800 . 2.800 2.416 2.222 2.760 . 0 0 "[ . 1 . 2 ]" 1 4003 2 44 LEU HA 2 48 ALA MB 4.500 . 4.500 4.199 3.752 4.514 0.014 15 0 "[ . 1 . 2 ]" 1 4004 2 44 LEU HA 2 49 VAL QG 5.500 . 5.500 4.447 4.066 4.836 . 0 0 "[ . 1 . 2 ]" 1 4005 2 44 LEU HA 2 44 LEU QD . . 3.500 2.182 2.099 2.247 . 0 0 "[ . 1 . 2 ]" 1 4006 2 44 LEU QB 2 49 VAL QG . . 4.500 3.969 3.773 4.531 0.031 21 0 "[ . 1 . 2 ]" 1 4007 2 43 GLY QA 2 44 LEU QB 4.500 . 4.500 3.847 3.590 4.414 . 0 0 "[ . 1 . 2 ]" 1 4008 2 44 LEU HG 2 45 ASN H 5.500 . 5.500 4.158 3.468 4.665 . 0 0 "[ . 1 . 2 ]" 1 4009 2 44 LEU HG 2 49 VAL H 5.500 . 5.500 4.609 4.329 5.191 . 0 0 "[ . 1 . 2 ]" 1 4010 2 44 LEU HG 2 45 ASN HA 5.500 . 5.500 4.917 4.331 5.507 0.007 16 0 "[ . 1 . 2 ]" 1 4011 2 44 LEU HG 2 49 VAL QG 4.500 . 4.500 2.407 2.187 3.091 . 0 0 "[ . 1 . 2 ]" 1 4012 2 44 LEU QD 2 59 ILE MD . . 2.800 2.203 2.026 2.366 . 0 0 "[ . 1 . 2 ]" 1 4013 2 44 LEU QD 2 49 VAL QG 2.800 . 2.800 2.065 1.883 2.316 . 0 0 "[ . 1 . 2 ]" 1 4014 2 44 LEU QD 2 48 ALA MB 4.500 . 4.500 2.811 2.333 3.328 . 0 0 "[ . 1 . 2 ]" 1 4015 2 44 LEU QD 2 49 VAL HB 4.500 . 4.500 3.149 3.017 3.347 . 0 0 "[ . 1 . 2 ]" 1 4016 2 44 LEU QD 2 62 GLN QB 5.500 . 5.500 2.234 1.931 3.582 . 0 0 "[ . 1 . 2 ]" 1 4017 2 44 LEU QD 2 49 VAL HA 5.500 . 5.500 3.805 3.501 4.129 . 0 0 "[ . 1 . 2 ]" 1 4018 2 43 GLY QA 2 44 LEU QD 5.500 . 5.500 2.303 2.121 2.663 . 0 0 "[ . 1 . 2 ]" 1 4019 2 44 LEU QD 2 60 SER QB . . 4.500 3.706 3.497 3.956 . 0 0 "[ . 1 . 2 ]" 1 4020 2 44 LEU QD 2 62 GLN HA 5.500 . 5.500 4.030 3.776 4.526 . 0 0 "[ . 1 . 2 ]" 1 4021 2 44 LEU QD 2 59 ILE HA 5.500 . 5.500 4.403 4.247 4.654 . 0 0 "[ . 1 . 2 ]" 1 4022 2 43 GLY QA 2 44 LEU QD 5.500 . 5.500 4.805 4.673 5.036 . 0 0 "[ . 1 . 2 ]" 1 4023 2 44 LEU QD 2 60 SER H 5.500 . 5.500 4.089 3.928 4.267 . 0 0 "[ . 1 . 2 ]" 1 4024 2 44 LEU QD 2 61 ASN HA 5.500 . 5.500 4.018 3.114 4.605 . 0 0 "[ . 1 . 2 ]" 1 4025 2 44 LEU QD 2 59 ILE HB 4.500 . 4.500 3.233 3.069 3.442 . 0 0 "[ . 1 . 2 ]" 1 4026 2 18 GLN QB 2 44 LEU QD 5.500 . 5.500 2.099 1.954 2.362 . 0 0 "[ . 1 . 2 ]" 1 4027 2 45 ASN HA 2 48 ALA H 5.500 . 5.500 4.615 4.335 4.810 . 0 0 "[ . 1 . 2 ]" 1 4028 2 43 GLY QA 2 45 ASN HA 5.500 . 5.500 5.175 4.550 5.598 0.098 4 0 "[ . 1 . 2 ]" 1 4029 2 45 ASN HA 2 46 PRO HA 4.500 . 4.500 4.502 4.464 4.525 0.025 17 0 "[ . 1 . 2 ]" 1 4030 2 45 ASN HA 2 46 PRO QD 2.800 . 2.800 2.079 2.054 2.105 . 0 0 "[ . 1 . 2 ]" 1 4031 2 45 ASN HA 2 46 PRO QG 4.500 . 4.500 4.000 3.972 4.026 . 0 0 "[ . 1 . 2 ]" 1 4032 2 45 ASN HA 2 48 ALA MB 5.500 . 5.500 4.816 4.551 5.111 . 0 0 "[ . 1 . 2 ]" 1 4033 2 14 SER QB 2 45 ASN QB 4.500 . 4.500 2.784 2.360 3.291 . 0 0 "[ . 1 . 2 ]" 1 4034 2 45 ASN QB 2 48 ALA MB 4.500 . 4.500 2.759 2.309 3.120 . 0 0 "[ . 1 . 2 ]" 1 4035 2 122 ARG HA 2 125 ASP QB 4.500 . 4.500 3.059 2.605 3.356 . 0 0 "[ . 1 . 2 ]" 1 4036 2 46 PRO HA 2 50 LYS H 5.500 . 5.500 3.865 3.654 4.150 . 0 0 "[ . 1 . 2 ]" 1 4037 2 46 PRO HA 2 49 VAL H 4.500 . 4.500 3.003 2.874 3.094 . 0 0 "[ . 1 . 2 ]" 1 4038 2 46 PRO HA 2 46 PRO QD . . 3.500 3.213 3.175 3.259 . 0 0 "[ . 1 . 2 ]" 1 4039 2 46 PRO HA 2 49 VAL HB 3.500 . 3.500 2.542 2.402 2.916 . 0 0 "[ . 1 . 2 ]" 1 4040 2 46 PRO HA 2 46 PRO QG 3.500 . 3.500 3.505 3.502 3.510 0.010 17 0 "[ . 1 . 2 ]" 1 4041 2 46 PRO HA 2 49 VAL QG 2.800 . 2.800 2.280 2.174 2.371 . 0 0 "[ . 1 . 2 ]" 1 4042 2 46 PRO QB 2 49 VAL QG . . 3.500 3.482 3.358 3.535 0.035 9 0 "[ . 1 . 2 ]" 1 4043 2 46 PRO HA 2 46 PRO QG 3.500 . 3.500 3.100 2.661 3.130 . 0 0 "[ . 1 . 2 ]" 1 4044 2 45 ASN QB 2 46 PRO QD 5.500 . 5.500 3.629 3.583 3.679 . 0 0 "[ . 1 . 2 ]" 1 4045 2 47 ASN HA 2 50 LYS QG 4.500 . 4.500 4.516 4.323 4.646 0.146 1 0 "[ . 1 . 2 ]" 1 4046 2 47 ASN HA 2 50 LYS QB 2.800 . 2.800 2.542 2.221 2.622 . 0 0 "[ . 1 . 2 ]" 1 4047 2 47 ASN HA 2 50 LYS HA 5.500 . 5.500 5.367 4.862 5.499 . 0 0 "[ . 1 . 2 ]" 1 4048 2 48 ALA HA 2 51 ALA H 3.500 . 3.500 3.232 2.986 3.431 . 0 0 "[ . 1 . 2 ]" 1 4049 2 48 ALA HA 2 50 LYS H 5.500 . 5.500 4.571 4.408 4.682 . 0 0 "[ . 1 . 2 ]" 1 4050 2 48 ALA HA 2 52 MET H 5.500 . 5.500 4.310 4.010 4.469 . 0 0 "[ . 1 . 2 ]" 1 4051 2 48 ALA HA 2 49 VAL H 3.500 . 3.500 3.554 3.532 3.577 0.077 1 0 "[ . 1 . 2 ]" 1 4052 2 47 ASN QD 2 48 ALA HA 3.500 . 3.500 3.562 3.185 3.652 0.152 12 0 "[ . 1 . 2 ]" 1 4053 2 48 ALA HA 2 120 PHE QB 5.500 . 5.500 4.736 4.050 5.462 . 0 0 "[ . 1 . 2 ]" 1 4054 2 19 MET QB 2 48 ALA HA 3.500 . 3.500 3.198 2.578 4.230 0.730 9 2 "[ . +- . 2 ]" 1 4055 2 47 ASN QB 2 48 ALA HA 4.500 . 4.500 4.240 4.047 4.399 . 0 0 "[ . 1 . 2 ]" 1 4056 2 18 GLN QG 2 48 ALA HA 2.800 . 2.800 2.794 2.484 2.929 0.129 17 0 "[ . 1 . 2 ]" 1 4057 2 48 ALA HA 2 51 ALA MB 2.800 . 2.800 2.225 2.096 2.282 . 0 0 "[ . 1 . 2 ]" 1 4058 2 48 ALA HA 2 49 VAL QG 5.500 . 5.500 4.831 4.806 4.861 . 0 0 "[ . 1 . 2 ]" 1 4059 2 48 ALA MB 2 59 ILE MD 3.500 . 3.500 2.506 2.233 2.768 . 0 0 "[ . 1 . 2 ]" 1 4060 2 48 ALA MB 2 49 VAL QG 3.500 . 3.500 3.224 3.055 3.353 . 0 0 "[ . 1 . 2 ]" 1 4061 2 47 ASN QB 2 48 ALA MB 5.500 . 5.500 4.411 3.973 4.641 . 0 0 "[ . 1 . 2 ]" 1 4062 2 18 GLN QB 2 48 ALA MB 4.500 . 4.500 2.100 2.031 2.259 . 0 0 "[ . 1 . 2 ]" 1 4063 2 47 ASN QB 2 48 ALA MB 4.500 . 4.500 4.468 3.998 4.716 0.216 16 0 "[ . 1 . 2 ]" 1 4064 2 18 GLN QG 2 48 ALA MB 2.800 . 2.800 2.891 2.797 3.367 0.567 1 1 "[+ . 1 . 2 ]" 1 4065 2 19 MET QB 2 48 ALA MB 4.500 . 4.500 2.605 2.297 3.754 . 0 0 "[ . 1 . 2 ]" 1 4066 2 48 ALA MB 2 49 VAL HA 5.500 . 5.500 3.945 3.830 4.047 . 0 0 "[ . 1 . 2 ]" 1 4067 2 19 MET HA 2 48 ALA MB 5.500 . 5.500 3.512 3.032 3.733 . 0 0 "[ . 1 . 2 ]" 1 4068 2 18 GLN HA 2 48 ALA MB 4.500 . 4.500 3.784 3.529 3.924 . 0 0 "[ . 1 . 2 ]" 1 4069 2 15 ALA HA 2 48 ALA MB 2.800 . 2.800 2.011 1.916 2.158 . 0 0 "[ . 1 . 2 ]" 1 4070 2 19 MET H 2 48 ALA MB 4.500 . 4.500 2.727 2.431 2.983 . 0 0 "[ . 1 . 2 ]" 1 4071 2 47 ASN H 2 48 ALA MB 4.500 . 4.500 3.965 3.796 4.080 . 0 0 "[ . 1 . 2 ]" 1 4072 2 49 VAL HA 2 59 ILE QG 5.500 . 5.500 2.229 2.104 2.464 . 0 0 "[ . 1 . 2 ]" 1 4073 2 49 VAL HA 2 49 VAL QG 2.800 . 2.800 2.164 2.151 2.178 . 0 0 "[ . 1 . 2 ]" 1 4074 2 49 VAL HA 2 59 ILE MG 5.500 . 5.500 4.340 4.173 4.622 . 0 0 "[ . 1 . 2 ]" 1 4075 2 49 VAL HA 2 59 ILE MD 4.500 . 4.500 2.450 2.229 2.774 . 0 0 "[ . 1 . 2 ]" 1 4076 2 49 VAL QG 2 59 ILE MD 2.800 . 2.800 2.736 2.552 2.820 0.020 9 0 "[ . 1 . 2 ]" 1 4077 2 49 VAL QG 2 59 ILE QG 3.500 . 3.500 2.148 2.050 2.333 . 0 0 "[ . 1 . 2 ]" 1 4078 2 44 LEU HG 2 49 VAL QG 3.500 . 3.500 2.202 2.033 2.514 . 0 0 "[ . 1 . 2 ]" 1 4079 2 49 VAL QG 2 52 MET QB 5.500 . 5.500 3.827 3.589 4.121 . 0 0 "[ . 1 . 2 ]" 1 4080 2 49 VAL QG 2 60 SER HA 3.500 . 3.500 2.544 2.207 2.829 . 0 0 "[ . 1 . 2 ]" 1 4081 2 49 VAL QG 2 50 LYS HA 5.500 . 5.500 3.694 3.580 3.814 . 0 0 "[ . 1 . 2 ]" 1 4082 2 46 PRO HA 2 49 VAL QG 2.800 . 2.800 2.276 2.171 2.365 . 0 0 "[ . 1 . 2 ]" 1 4083 2 47 ASN H 2 49 VAL QG 5.500 . 5.500 4.171 4.136 4.216 . 0 0 "[ . 1 . 2 ]" 1 4084 2 49 VAL QG 2 59 ILE HA 5.500 . 5.500 4.662 4.480 4.904 . 0 0 "[ . 1 . 2 ]" 1 4085 2 49 VAL QG 2 60 SER QB 3.500 . 3.500 3.249 2.452 3.534 0.034 6 0 "[ . 1 . 2 ]" 1 4086 2 49 VAL QG 2 53 LYS QD 4.500 . 4.500 3.911 3.536 4.149 . 0 0 "[ . 1 . 2 ]" 1 4087 2 49 VAL QG 2 58 ASP HA 5.500 . 5.500 3.977 3.510 4.286 . 0 0 "[ . 1 . 2 ]" 1 4088 2 50 LYS HA 2 53 LYS QE 5.500 . 5.500 4.812 4.189 5.456 . 0 0 "[ . 1 . 2 ]" 1 4089 2 50 LYS HA 2 54 GLU QG 4.500 . 4.500 4.426 4.000 4.561 0.061 6 0 "[ . 1 . 2 ]" 1 4090 2 50 LYS HA 2 50 LYS QE 5.500 . 5.500 4.648 4.345 4.893 . 0 0 "[ . 1 . 2 ]" 1 4091 2 50 LYS HA 2 50 LYS QB 2.800 . 2.800 2.359 2.305 2.432 . 0 0 "[ . 1 . 2 ]" 1 4092 2 50 LYS HA 2 53 LYS QD 4.500 . 4.500 4.907 4.567 5.062 0.562 12 4 "[ . * 1 + *. -2 ]" 1 4093 2 50 LYS HA 2 50 LYS QG 2.800 . 2.800 2.315 2.047 2.436 . 0 0 "[ . 1 . 2 ]" 1 4094 2 47 ASN H 2 50 LYS QB 3.500 . 3.500 2.560 2.471 2.713 . 0 0 "[ . 1 . 2 ]" 1 4095 2 49 VAL H 2 50 LYS QB 4.500 . 4.500 4.447 4.356 4.503 0.003 11 0 "[ . 1 . 2 ]" 1 4096 2 34 VAL HB 2 35 TYR QB 4.500 . 4.500 3.337 2.202 3.498 . 0 0 "[ . 1 . 2 ]" 1 4097 2 49 VAL HB 2 50 LYS QB 3.500 . 3.500 3.280 2.197 3.404 . 0 0 "[ . 1 . 2 ]" 1 4098 2 50 LYS QB 2 50 LYS QD 2.800 . 2.800 2.154 2.123 2.303 . 0 0 "[ . 1 . 2 ]" 1 4099 2 49 VAL H 2 50 LYS QG 5.500 . 5.500 4.799 4.226 5.523 0.023 14 0 "[ . 1 . 2 ]" 1 4100 2 50 LYS H 2 50 LYS QG 4.500 . 4.500 3.701 3.605 3.754 . 0 0 "[ . 1 . 2 ]" 1 4101 2 47 ASN H 2 50 LYS QD 5.500 . 5.500 4.395 3.108 5.239 . 0 0 "[ . 1 . 2 ]" 1 4102 2 132 LYS H 2 132 LYS QD . . 4.500 4.463 3.717 4.744 0.244 1 0 "[ . 1 . 2 ]" 1 4103 2 50 LYS H 2 50 LYS QD 4.500 . 4.500 4.360 4.188 4.495 . 0 0 "[ . 1 . 2 ]" 1 4104 2 49 VAL H 2 50 LYS QD 4.500 . 4.500 4.355 3.959 4.771 0.271 4 0 "[ . 1 . 2 ]" 1 4105 2 49 VAL H 2 50 LYS QD 5.500 . 5.500 5.435 5.116 5.593 0.093 4 0 "[ . 1 . 2 ]" 1 4106 2 47 ASN HA 2 50 LYS QD . . 4.500 3.603 3.349 4.526 0.026 6 0 "[ . 1 . 2 ]" 1 4107 2 129 ASN HA 2 132 LYS QD 4.500 . 4.500 3.463 2.431 3.787 . 0 0 "[ . 1 . 2 ]" 1 4108 2 50 LYS HA 2 50 LYS QD 4.500 . 4.500 3.956 3.734 4.067 . 0 0 "[ . 1 . 2 ]" 1 4109 2 47 ASN QB 2 50 LYS QE 3.500 . 3.500 3.501 2.191 3.637 0.137 4 0 "[ . 1 . 2 ]" 1 4110 2 50 LYS HA 2 50 LYS QE 5.500 . 5.500 4.870 4.527 5.210 . 0 0 "[ . 1 . 2 ]" 1 4111 2 48 ALA HA 2 50 LYS QE 5.500 . 5.500 5.243 4.587 5.909 0.409 7 0 "[ . 1 . 2 ]" 1 4112 2 50 LYS QE 2 117 TRP HZ2 5.500 . 5.500 3.937 3.153 5.509 0.009 6 0 "[ . 1 . 2 ]" 1 4113 2 50 LYS H 2 50 LYS QE 5.500 . 5.500 5.537 4.391 5.905 0.405 4 0 "[ . 1 . 2 ]" 1 4114 2 51 ALA HA 2 52 MET H 5.500 . 5.500 3.611 3.578 3.643 . 0 0 "[ . 1 . 2 ]" 1 4115 2 47 ASN QD 2 51 ALA HA 5.500 . 5.500 5.594 5.502 5.719 0.219 17 0 "[ . 1 . 2 ]" 1 4116 2 51 ALA HA 2 54 GLU QG 4.500 . 4.500 2.623 2.357 3.116 . 0 0 "[ . 1 . 2 ]" 1 4117 2 50 LYS QG 2 51 ALA HA 4.500 . 4.500 3.773 3.394 4.519 0.019 14 0 "[ . 1 . 2 ]" 1 4118 2 19 MET ME 2 51 ALA HA 5.500 . 5.500 4.257 3.921 4.546 . 0 0 "[ . 1 . 2 ]" 1 4119 2 50 LYS QE 2 51 ALA HA 3.500 . 3.500 3.374 2.898 3.518 0.018 20 0 "[ . 1 . 2 ]" 1 4120 2 51 ALA MB 2 55 VAL QG . . 4.500 4.463 4.276 4.518 0.018 10 0 "[ . 1 . 2 ]" 1 4121 2 47 ASN QB 2 51 ALA MB 4.500 . 4.500 4.003 3.772 4.219 . 0 0 "[ . 1 . 2 ]" 1 4122 2 48 ALA MB 2 51 ALA MB 3.500 . 3.500 3.477 3.261 3.545 0.045 3 0 "[ . 1 . 2 ]" 1 4123 2 51 ALA MB 2 124 ARG QB 3.500 . 3.500 2.388 2.103 2.661 . 0 0 "[ . 1 . 2 ]" 1 4124 2 19 MET QB 2 51 ALA MB 4.500 . 4.500 3.029 2.462 3.352 . 0 0 "[ . 1 . 2 ]" 1 4125 2 51 ALA MB 2 54 GLU QG 4.500 . 4.500 4.150 3.949 4.519 0.019 11 0 "[ . 1 . 2 ]" 1 4126 2 51 ALA MB 2 120 PHE QB 4.500 . 4.500 2.606 2.219 3.214 . 0 0 "[ . 1 . 2 ]" 1 4127 2 50 LYS HA 2 51 ALA MB 5.500 . 5.500 3.973 3.638 4.236 . 0 0 "[ . 1 . 2 ]" 1 4128 2 51 ALA MB 2 52 MET HA 5.500 . 5.500 4.005 3.912 4.113 . 0 0 "[ . 1 . 2 ]" 1 4129 2 49 VAL H 2 51 ALA MB 4.500 . 4.500 4.569 4.514 4.704 0.204 1 0 "[ . 1 . 2 ]" 1 4130 2 51 ALA MB 2 54 GLU H 5.500 . 5.500 4.747 4.615 4.899 . 0 0 "[ . 1 . 2 ]" 1 4131 2 50 LYS H 2 51 ALA MB 4.500 . 4.500 4.384 4.237 4.526 0.026 1 0 "[ . 1 . 2 ]" 1 4132 2 51 ALA H 2 51 ALA MB 2.800 . 2.800 2.193 2.157 2.239 . 0 0 "[ . 1 . 2 ]" 1 4133 2 52 MET HA 2 57 ILE MG 5.500 . 5.500 4.553 4.148 4.884 . 0 0 "[ . 1 . 2 ]" 1 4134 2 52 MET HA 2 55 VAL QG 2.800 . 2.800 2.381 2.161 2.592 . 0 0 "[ . 1 . 2 ]" 1 4135 2 52 MET HA 2 52 MET ME . . 2.800 2.179 1.984 2.378 . 0 0 "[ . 1 . 2 ]" 1 4136 2 19 MET QB 2 52 MET HA 5.500 . 5.500 4.106 3.562 4.355 . 0 0 "[ . 1 . 2 ]" 1 4137 2 52 MET HA 2 54 GLU QG 5.500 . 5.500 5.314 4.981 5.572 0.072 17 0 "[ . 1 . 2 ]" 1 4138 2 52 MET HA 2 56 GLY H 5.500 . 5.500 3.814 3.738 3.929 . 0 0 "[ . 1 . 2 ]" 1 4139 2 23 TRP HE1 2 52 MET ME 5.500 . 5.500 3.176 2.832 3.497 . 0 0 "[ . 1 . 2 ]" 1 4140 2 24 ALA H 2 52 MET ME 5.500 . 5.500 4.731 4.594 5.009 . 0 0 "[ . 1 . 2 ]" 1 4141 2 52 MET ME 2 53 LYS H 5.500 . 5.500 5.035 4.865 5.181 . 0 0 "[ . 1 . 2 ]" 1 4142 2 25 LYS H 2 52 MET ME 4.500 . 4.500 4.181 3.979 4.347 . 0 0 "[ . 1 . 2 ]" 1 4143 2 22 GLY H 2 52 MET ME 3.500 . 3.500 3.508 3.431 3.623 0.123 3 0 "[ . 1 . 2 ]" 1 4144 2 52 MET ME 2 54 GLU H 5.500 . 5.500 5.530 5.310 5.717 0.217 1 0 "[ . 1 . 2 ]" 1 4145 2 23 TRP HZ2 2 52 MET ME 4.500 . 4.500 4.432 4.188 4.590 0.090 1 0 "[ . 1 . 2 ]" 1 4146 2 26 GLN H 2 52 MET ME 5.500 . 5.500 5.406 5.089 5.598 0.098 17 0 "[ . 1 . 2 ]" 1 4147 2 26 GLN QE 2 52 MET ME 4.500 . 4.500 4.337 3.777 4.588 0.088 3 0 "[ . 1 . 2 ]" 1 4148 2 23 TRP HD1 2 52 MET ME 5.500 . 5.500 2.760 2.407 3.064 . 0 0 "[ . 1 . 2 ]" 1 4149 2 52 MET ME 2 57 ILE HA 5.500 . 5.500 4.741 4.612 4.856 . 0 0 "[ . 1 . 2 ]" 1 4150 2 19 MET QB 2 52 MET ME 4.500 . 4.500 4.283 2.719 5.004 0.504 1 1 "[+ . 1 . 2 ]" 1 4151 2 52 MET QB 2 52 MET ME 2.800 . 2.800 2.391 2.190 2.671 . 0 0 "[ . 1 . 2 ]" 1 4152 2 52 MET ME 2 57 ILE HB 2.800 . 2.800 2.134 2.051 2.215 . 0 0 "[ . 1 . 2 ]" 1 4153 2 52 MET ME 2 55 VAL QG 2.800 . 2.800 2.306 2.104 2.440 . 0 0 "[ . 1 . 2 ]" 1 4154 2 52 MET ME 2 57 ILE QG 3.500 . 3.500 3.230 3.063 3.335 . 0 0 "[ . 1 . 2 ]" 1 4155 2 52 MET ME 2 57 ILE MG 2.800 . 2.800 2.527 2.167 2.809 0.009 2 0 "[ . 1 . 2 ]" 1 4156 2 52 MET ME 2 57 ILE MD 2.800 . 2.800 2.113 1.984 2.188 . 0 0 "[ . 1 . 2 ]" 1 4157 2 53 LYS HA 2 56 GLY H 3.500 . 3.500 2.581 2.518 2.637 . 0 0 "[ . 1 . 2 ]" 1 4158 2 53 LYS HA 2 54 GLU QB 5.500 . 5.500 5.379 5.125 5.481 . 0 0 "[ . 1 . 2 ]" 1 4159 2 53 LYS HA 2 53 LYS QB 2.800 . 2.800 2.400 2.353 2.440 . 0 0 "[ . 1 . 2 ]" 1 4160 2 52 MET H 2 53 LYS QB 4.500 . 4.500 4.491 4.264 4.736 0.236 6 0 "[ . 1 . 2 ]" 1 4161 2 53 LYS QB 2 53 LYS QD 2.800 . 2.800 2.396 2.294 2.497 . 0 0 "[ . 1 . 2 ]" 1 4162 2 53 LYS H 2 53 LYS QD 4.500 . 4.500 3.706 3.288 3.921 . 0 0 "[ . 1 . 2 ]" 1 4163 2 53 LYS QD 2 56 GLY H 5.500 . 5.500 3.860 3.598 4.064 . 0 0 "[ . 1 . 2 ]" 1 4164 2 53 LYS QD 2 54 GLU H 5.500 . 5.500 5.151 5.003 5.278 . 0 0 "[ . 1 . 2 ]" 1 4165 2 50 LYS HA 2 53 LYS QD 5.500 . 5.500 4.530 4.287 4.650 . 0 0 "[ . 1 . 2 ]" 1 4166 2 53 LYS HA 2 53 LYS QD 3.500 . 3.500 2.287 2.175 2.449 . 0 0 "[ . 1 . 2 ]" 1 4167 2 33 LYS QE 2 34 VAL H 5.500 . 5.500 4.144 3.270 5.416 . 0 0 "[ . 1 . 2 ]" 1 4168 2 4 LYS H 2 33 LYS QE 5.500 . 5.500 4.040 3.619 4.467 . 0 0 "[ . 1 . 2 ]" 1 4169 2 54 GLU HA 2 56 GLY H 5.500 . 5.500 3.993 3.852 4.099 . 0 0 "[ . 1 . 2 ]" 1 4170 2 54 GLU HA 2 54 GLU QG . . 2.800 2.412 2.299 2.507 . 0 0 "[ . 1 . 2 ]" 1 4171 2 54 GLU HA 2 54 GLU QB 2.800 . 2.800 2.399 2.346 2.531 . 0 0 "[ . 1 . 2 ]" 1 4172 2 53 LYS QB 2 54 GLU HA 4.500 . 4.500 4.090 3.953 4.161 . 0 0 "[ . 1 . 2 ]" 1 4173 2 50 LYS QG 2 54 GLU HA 5.500 . 5.500 4.881 4.691 5.046 . 0 0 "[ . 1 . 2 ]" 1 4174 2 54 GLU HA 2 55 VAL QG 5.500 . 5.500 4.170 4.056 4.666 . 0 0 "[ . 1 . 2 ]" 1 4175 2 54 GLU QB 2 56 GLY H 5.500 . 5.500 4.427 4.355 4.550 . 0 0 "[ . 1 . 2 ]" 1 4176 2 50 LYS QG 2 54 GLU QB 4.500 . 4.500 4.702 4.150 5.051 0.551 6 1 "[ .+ 1 . 2 ]" 1 4177 2 54 GLU QB 2 55 VAL QG 3.500 . 3.500 2.597 2.413 3.209 . 0 0 "[ . 1 . 2 ]" 1 4178 2 54 GLU QG 2 117 TRP HZ2 4.500 . 4.500 3.640 2.685 4.509 0.009 12 0 "[ . 1 . 2 ]" 1 4179 2 54 GLU QG 2 55 VAL H 5.500 . 5.500 4.305 4.192 4.467 . 0 0 "[ . 1 . 2 ]" 1 4180 2 50 LYS QG 2 54 GLU QG . . 4.500 2.944 2.473 3.249 . 0 0 "[ . 1 . 2 ]" 1 4181 2 54 GLU QG 2 55 VAL QG 4.500 . 4.500 4.225 4.101 4.517 0.017 20 0 "[ . 1 . 2 ]" 1 4182 2 50 LYS QG 2 54 GLU QG 5.500 . 5.500 3.024 2.498 3.453 . 0 0 "[ . 1 . 2 ]" 1 4183 2 55 VAL HA 2 55 VAL QG . . 2.800 2.233 2.206 2.399 . 0 0 "[ . 1 . 2 ]" 1 4184 2 55 VAL HA 2 55 VAL HB . . 2.800 2.466 2.360 2.490 . 0 0 "[ . 1 . 2 ]" 1 4185 2 55 VAL HB 2 56 GLY H 5.500 . 5.500 4.211 4.165 4.350 . 0 0 "[ . 1 . 2 ]" 1 4186 2 23 TRP HZ2 2 55 VAL HB 4.500 . 4.500 4.213 3.046 4.459 . 0 0 "[ . 1 . 2 ]" 1 4187 2 55 VAL HB 2 57 ILE MD 5.500 . 5.500 3.917 3.527 4.632 . 0 0 "[ . 1 . 2 ]" 1 4188 2 54 GLU QB 2 55 VAL HB 5.500 . 5.500 5.033 3.738 5.226 . 0 0 "[ . 1 . 2 ]" 1 4189 2 55 VAL QG 2 56 GLY H . . 3.500 2.833 2.751 2.905 . 0 0 "[ . 1 . 2 ]" 1 4190 2 23 TRP HZ2 2 55 VAL QG 2.800 . 2.800 2.217 2.089 2.740 . 0 0 "[ . 1 . 2 ]" 1 4191 2 52 MET QB 2 55 VAL QG 5.500 . 5.500 3.582 3.290 3.810 . 0 0 "[ . 1 . 2 ]" 1 4192 2 55 VAL QG 2 57 ILE MD . . 2.800 2.521 2.219 2.808 0.008 17 0 "[ . 1 . 2 ]" 1 4193 2 23 TRP HE1 2 55 VAL QG 5.500 . 5.500 3.345 3.091 3.693 . 0 0 "[ . 1 . 2 ]" 1 4194 2 53 LYS H 2 55 VAL QG 5.500 . 5.500 4.600 4.478 4.683 . 0 0 "[ . 1 . 2 ]" 1 4195 2 52 MET H 2 55 VAL QG 5.500 . 5.500 4.591 4.459 4.718 . 0 0 "[ . 1 . 2 ]" 1 4196 2 55 VAL QG 2 57 ILE HA 5.500 . 5.500 4.394 4.245 4.533 . 0 0 "[ . 1 . 2 ]" 1 4197 2 55 VAL QG 2 56 GLY QA 5.500 . 5.500 4.122 3.928 4.168 . 0 0 "[ . 1 . 2 ]" 1 4198 2 52 MET QB 2 55 VAL QG 5.500 . 5.500 3.327 3.120 3.525 . 0 0 "[ . 1 . 2 ]" 1 4199 2 55 VAL QG 2 57 ILE MG 5.500 . 5.500 3.992 3.648 4.134 . 0 0 "[ . 1 . 2 ]" 1 4200 2 56 GLY H 2 56 GLY QA 2.800 . 2.800 2.105 2.099 2.113 . 0 0 "[ . 1 . 2 ]" 1 4201 2 55 VAL QG 2 56 GLY QA 5.500 . 5.500 3.582 3.509 3.643 . 0 0 "[ . 1 . 2 ]" 1 4202 2 53 LYS QE 2 57 ILE HA 5.500 . 5.500 4.050 3.890 4.201 . 0 0 "[ . 1 . 2 ]" 1 4203 2 113 GLU HA 2 116 LYS QB 2.800 . 2.800 2.162 2.053 2.305 . 0 0 "[ . 1 . 2 ]" 1 4204 2 113 GLU HA 2 116 LYS QG 3.500 . 3.500 3.099 2.750 3.371 . 0 0 "[ . 1 . 2 ]" 1 4205 2 55 VAL QG 2 57 ILE HA 4.500 . 4.500 2.965 2.587 3.311 . 0 0 "[ . 1 . 2 ]" 1 4206 2 57 ILE HA 2 57 ILE MG . . 3.500 2.483 2.432 2.542 . 0 0 "[ . 1 . 2 ]" 1 4207 2 57 ILE HA 2 57 ILE MD . . 4.500 3.857 3.805 3.916 . 0 0 "[ . 1 . 2 ]" 1 4208 2 113 GLU HA 2 116 LYS QG 3.500 . 3.500 3.482 2.969 3.928 0.428 1 0 "[ . 1 . 2 ]" 1 4209 2 53 LYS QD 2 57 ILE HA 5.500 . 5.500 5.326 5.102 5.611 0.111 11 0 "[ . 1 . 2 ]" 1 4210 2 52 MET QB 2 57 ILE HB 5.500 . 5.500 2.284 2.186 2.424 . 0 0 "[ . 1 . 2 ]" 1 4211 2 55 VAL QG 2 57 ILE HB 4.500 . 4.500 2.837 2.478 3.009 . 0 0 "[ . 1 . 2 ]" 1 4212 2 26 GLN QB 2 57 ILE QG 5.500 . 5.500 3.179 2.892 3.353 . 0 0 "[ . 1 . 2 ]" 1 4213 2 57 ILE QG 2 57 ILE MG . . 2.800 2.383 2.345 2.429 . 0 0 "[ . 1 . 2 ]" 1 4214 2 23 TRP H 2 57 ILE MD 5.500 . 5.500 3.905 3.734 4.077 . 0 0 "[ . 1 . 2 ]" 1 4215 2 22 GLY H 2 57 ILE MD 4.500 . 4.500 3.978 3.857 4.062 . 0 0 "[ . 1 . 2 ]" 1 4216 2 23 TRP HZ2 2 57 ILE MD 5.500 . 5.500 5.242 4.665 5.519 0.019 8 0 "[ . 1 . 2 ]" 1 4217 2 23 TRP QB 2 57 ILE MD 5.500 . 5.500 4.308 4.115 4.509 . 0 0 "[ . 1 . 2 ]" 1 4218 2 57 ILE MD 2 57 ILE MG 2.800 . 2.800 2.087 2.060 2.101 . 0 0 "[ . 1 . 2 ]" 1 4219 2 23 TRP H 2 57 ILE MG 5.500 . 5.500 4.156 3.948 4.350 . 0 0 "[ . 1 . 2 ]" 1 4220 2 25 LYS H 2 57 ILE MG 5.500 . 5.500 4.813 4.594 5.008 . 0 0 "[ . 1 . 2 ]" 1 4221 2 22 GLY H 2 57 ILE MG 4.500 . 4.500 3.686 3.619 3.749 . 0 0 "[ . 1 . 2 ]" 1 4222 2 26 GLN H 2 57 ILE MG 5.500 . 5.500 4.515 4.130 4.898 . 0 0 "[ . 1 . 2 ]" 1 4223 2 26 GLN QE 2 57 ILE MG 5.500 . 5.500 5.239 4.755 5.509 0.009 5 0 "[ . 1 . 2 ]" 1 4224 2 23 TRP HA 2 57 ILE MG 4.500 . 4.500 3.575 3.421 3.690 . 0 0 "[ . 1 . 2 ]" 1 4225 2 19 MET HA 2 57 ILE MG 5.500 . 5.500 4.960 4.690 5.154 . 0 0 "[ . 1 . 2 ]" 1 4226 2 57 ILE MG 2 59 ILE HB 5.500 . 5.500 5.050 4.820 5.508 0.008 4 0 "[ . 1 . 2 ]" 1 4227 2 25 LYS QD 2 57 ILE MG 5.500 . 5.500 6.044 5.463 6.281 0.781 13 14 "[ * **** *** +*.* **- ]" 1 4228 2 57 ILE MG 2 59 ILE MG 2.800 . 2.800 2.399 2.225 2.732 . 0 0 "[ . 1 . 2 ]" 1 4229 2 59 ILE HA 2 59 ILE MG 2.800 . 2.800 2.332 2.261 2.394 . 0 0 "[ . 1 . 2 ]" 1 4230 2 49 VAL QG 2 59 ILE HB 5.500 . 5.500 4.115 3.763 4.359 . 0 0 "[ . 1 . 2 ]" 1 4231 2 59 ILE HB 2 59 ILE MD . . 2.800 2.304 2.238 2.378 . 0 0 "[ . 1 . 2 ]" 1 4232 2 19 MET H 2 59 ILE HB 5.500 . 5.500 2.741 1.706 3.598 0.094 16 0 "[ . 1 . 2 ]" 1 4233 2 20 ALA H 2 59 ILE MD 5.500 . 5.500 4.663 4.550 4.794 . 0 0 "[ . 1 . 2 ]" 1 4234 2 19 MET H 2 59 ILE MD 4.500 . 4.500 3.759 3.383 4.055 . 0 0 "[ . 1 . 2 ]" 1 4235 2 52 MET H 2 59 ILE MD 5.500 . 5.500 4.124 3.824 4.400 . 0 0 "[ . 1 . 2 ]" 1 4236 2 22 GLY H 2 59 ILE MD 5.500 . 5.500 3.880 3.515 4.117 . 0 0 "[ . 1 . 2 ]" 1 4237 2 49 VAL H 2 59 ILE MD 5.500 . 5.500 3.331 3.170 3.500 . 0 0 "[ . 1 . 2 ]" 1 4238 2 59 ILE MD 2 62 GLN QE 5.500 . 5.500 2.870 2.350 4.453 . 0 0 "[ . 1 . 2 ]" 1 4239 2 18 GLN H 2 59 ILE MD 5.500 . 5.500 4.898 4.567 5.142 . 0 0 "[ . 1 . 2 ]" 1 4240 2 52 MET HA 2 59 ILE MD 4.500 . 4.500 4.006 3.958 4.069 . 0 0 "[ . 1 . 2 ]" 1 4241 2 48 ALA HA 2 59 ILE MD 5.500 . 5.500 4.084 3.842 4.348 . 0 0 "[ . 1 . 2 ]" 1 4242 2 18 GLN HA 2 59 ILE MD 5.500 . 5.500 3.550 3.345 3.758 . 0 0 "[ . 1 . 2 ]" 1 4243 2 18 GLN QG 2 59 ILE MD 3.500 . 3.500 2.985 2.697 3.196 . 0 0 "[ . 1 . 2 ]" 1 4244 2 18 GLN QB 2 59 ILE MD 5.500 . 5.500 2.079 1.969 2.246 . 0 0 "[ . 1 . 2 ]" 1 4245 2 44 LEU QD 2 59 ILE MD 2.800 . 2.800 1.937 1.858 2.018 . 0 0 "[ . 1 . 2 ]" 1 4246 2 53 LYS QD 2 59 ILE MG 5.500 . 5.500 5.864 5.559 6.182 0.682 6 6 "[- .+ 1 * .** 2*]" 1 4247 2 25 LYS H 2 59 ILE MG 5.500 . 5.500 4.833 4.660 5.149 . 0 0 "[ . 1 . 2 ]" 1 4248 2 59 ILE MG 2 62 GLN QE 5.500 . 5.500 2.503 2.103 3.047 . 0 0 "[ . 1 . 2 ]" 1 4249 2 18 GLN HA 2 59 ILE MG 5.500 . 5.500 4.733 4.181 5.003 . 0 0 "[ . 1 . 2 ]" 1 4250 2 59 ILE MG 2 60 SER HA 5.500 . 5.500 5.597 5.551 5.683 0.183 1 0 "[ . 1 . 2 ]" 1 4251 2 21 GLU QG 2 59 ILE MG 3.500 . 3.500 2.695 2.411 3.166 . 0 0 "[ . 1 . 2 ]" 1 4252 2 52 MET QB 2 59 ILE MG 5.500 . 5.500 2.772 2.430 3.296 . 0 0 "[ . 1 . 2 ]" 1 4253 2 48 ALA MB 2 59 ILE MG 5.500 . 5.500 4.887 4.468 5.223 . 0 0 "[ . 1 . 2 ]" 1 4254 2 59 ILE MD 2 59 ILE MG 2.800 . 2.800 2.154 2.138 2.189 . 0 0 "[ . 1 . 2 ]" 1 4255 2 57 ILE MD 2 59 ILE MG 5.500 . 5.500 4.615 4.353 5.022 . 0 0 "[ . 1 . 2 ]" 1 4256 2 59 ILE HB 2 60 SER HA 5.500 . 5.500 4.922 4.794 5.027 . 0 0 "[ . 1 . 2 ]" 1 4257 2 49 VAL QG 2 60 SER HA 2.800 . 2.800 2.671 2.354 2.986 0.186 2 0 "[ . 1 . 2 ]" 1 4258 2 44 LEU QD 2 60 SER HA 2.800 . 2.800 2.308 2.124 2.673 . 0 0 "[ . 1 . 2 ]" 1 4259 2 60 SER HA 2 60 SER QB 2.800 . 2.800 2.320 2.164 2.358 . 0 0 "[ . 1 . 2 ]" 1 4260 2 44 LEU QD 2 60 SER QB . . 4.500 3.814 3.576 4.153 . 0 0 "[ . 1 . 2 ]" 1 4261 2 61 ASN HA 2 61 ASN QB 2.800 . 2.800 2.328 2.186 2.512 . 0 0 "[ . 1 . 2 ]" 1 4262 2 74 ASN HA 2 74 ASN QB . . 2.800 2.523 2.486 2.553 . 0 0 "[ . 1 . 2 ]" 1 4263 2 59 ILE HA 2 61 ASN QB 4.500 . 4.500 4.334 3.156 4.545 0.045 8 0 "[ . 1 . 2 ]" 1 4264 2 69 SER HA 2 73 ASN QB 5.500 . 5.500 3.111 2.425 3.790 . 0 0 "[ . 1 . 2 ]" 1 4265 2 73 ASN QB 2 74 ASN QB 4.500 . 4.500 3.534 3.187 4.127 . 0 0 "[ . 1 . 2 ]" 1 4266 2 62 GLN HA 2 62 GLN QE 4.500 . 4.500 4.311 3.829 4.554 0.054 16 0 "[ . 1 . 2 ]" 1 4267 2 61 ASN HA 2 62 GLN HA 5.500 . 5.500 4.861 4.782 4.960 . 0 0 "[ . 1 . 2 ]" 1 4268 2 62 GLN HA 2 62 GLN QB 2.800 . 2.800 2.414 2.073 2.507 . 0 0 "[ . 1 . 2 ]" 1 4269 2 59 ILE HB 2 62 GLN HA 4.500 . 4.500 4.878 4.556 5.460 0.960 1 1 "[+ . 1 . 2 ]" 1 4270 2 18 GLN QB 2 62 GLN HA 5.500 . 5.500 5.423 4.807 5.645 0.145 2 0 "[ . 1 . 2 ]" 1 4271 2 62 GLN HA 2 63 THR MG 4.500 . 4.500 3.605 3.310 4.536 0.036 14 0 "[ . 1 . 2 ]" 1 4272 2 44 LEU QD 2 62 GLN HA 5.500 . 5.500 3.937 3.719 4.275 . 0 0 "[ . 1 . 2 ]" 1 4273 2 63 THR MG 2 64 SER H 3.500 . 3.500 2.680 2.322 3.078 . 0 0 "[ . 1 . 2 ]" 1 4274 2 80 THR MG 2 82 SER HA 5.500 . 5.500 5.033 4.429 5.501 0.001 9 0 "[ . 1 . 2 ]" 1 4275 2 10 SER QB 2 80 THR MG 5.500 . 5.500 4.438 3.639 5.223 . 0 0 "[ . 1 . 2 ]" 1 4276 2 80 THR MG 2 81 LEU QB 5.500 . 5.500 4.542 4.299 5.050 . 0 0 "[ . 1 . 2 ]" 1 4277 2 80 THR MG 2 100 HIS H 5.500 . 5.500 5.540 5.305 5.601 0.101 9 0 "[ . 1 . 2 ]" 1 4278 2 65 ASP HA 2 66 ILE H 2.800 . 2.800 2.510 2.404 2.622 . 0 0 "[ . 1 . 2 ]" 1 4279 2 65 ASP HA 2 65 ASP QB 2.800 . 2.800 2.427 2.387 2.451 . 0 0 "[ . 1 . 2 ]" 1 4280 2 65 ASP HA 2 66 ILE QG 5.500 . 5.500 4.006 3.734 4.289 . 0 0 "[ . 1 . 2 ]" 1 4281 2 37 ALA MB 2 65 ASP HA 4.500 . 4.500 3.915 3.704 4.115 . 0 0 "[ . 1 . 2 ]" 1 4282 2 41 ALA MB 2 65 ASP HA 3.500 . 3.500 3.470 3.355 3.547 0.047 9 0 "[ . 1 . 2 ]" 1 4283 2 37 ALA MB 2 65 ASP QB 4.500 . 4.500 3.676 3.489 3.915 . 0 0 "[ . 1 . 2 ]" 1 4284 2 65 ASP QB 2 66 ILE MG 5.500 . 5.500 4.939 4.830 5.032 . 0 0 "[ . 1 . 2 ]" 1 4285 2 41 ALA MB 2 65 ASP QB 5.500 . 5.500 4.221 4.111 4.300 . 0 0 "[ . 1 . 2 ]" 1 4286 2 66 ILE HA 2 66 ILE HB . . 2.800 2.514 2.453 2.547 . 0 0 "[ . 1 . 2 ]" 1 4287 2 41 ALA MB 2 66 ILE HA 2.800 . 2.800 1.948 1.880 2.036 . 0 0 "[ . 1 . 2 ]" 1 4288 2 66 ILE HA 2 67 ILE MD 5.500 . 5.500 3.706 3.517 3.817 . 0 0 "[ . 1 . 2 ]" 1 4289 2 66 ILE HB 2 68 ASP QB 5.500 . 5.500 5.490 5.316 5.667 0.167 1 0 "[ . 1 . 2 ]" 1 4290 2 40 GLU QB 2 66 ILE HB 5.500 . 5.500 5.124 4.986 5.330 . 0 0 "[ . 1 . 2 ]" 1 4291 2 66 ILE HB 2 66 ILE QG 2.800 . 2.800 2.372 2.301 2.406 . 0 0 "[ . 1 . 2 ]" 1 4292 2 66 ILE HB 2 66 ILE QG 2.800 . 2.800 2.402 2.355 2.440 . 0 0 "[ . 1 . 2 ]" 1 4293 2 66 ILE HB 2 67 ILE MD 5.500 . 5.500 3.526 3.266 3.973 . 0 0 "[ . 1 . 2 ]" 1 4294 2 66 ILE H 2 66 ILE MD 3.500 . 3.500 3.517 2.824 3.812 0.312 1 0 "[ . 1 . 2 ]" 1 4295 2 66 ILE MD 2 67 ILE H 5.500 . 5.500 4.089 3.204 4.349 . 0 0 "[ . 1 . 2 ]" 1 4296 2 66 ILE HA 2 66 ILE MD 4.500 . 4.500 4.163 3.664 4.225 . 0 0 "[ . 1 . 2 ]" 1 4297 2 66 ILE MD 2 88 LYS QE 5.500 . 5.500 5.143 4.467 5.509 0.009 14 0 "[ . 1 . 2 ]" 1 4298 2 66 ILE HB 2 66 ILE MD 2.800 . 2.800 2.372 2.280 2.414 . 0 0 "[ . 1 . 2 ]" 1 4299 2 40 GLU QB 2 66 ILE MD 5.500 . 5.500 5.258 4.902 5.541 0.041 11 0 "[ . 1 . 2 ]" 1 4300 2 38 GLY H 2 66 ILE MG 5.500 . 5.500 4.171 3.937 4.441 . 0 0 "[ . 1 . 2 ]" 1 4301 2 40 GLU H 2 66 ILE MG 5.500 . 5.500 3.678 2.750 3.960 . 0 0 "[ . 1 . 2 ]" 1 4302 2 66 ILE HA 2 66 ILE MG 2.800 . 2.800 2.203 2.165 2.241 . 0 0 "[ . 1 . 2 ]" 1 4303 2 41 ALA HA 2 66 ILE MG 5.500 . 5.500 4.313 4.148 4.478 . 0 0 "[ . 1 . 2 ]" 1 4304 2 39 ILE HA 2 66 ILE MG 5.500 . 5.500 4.248 3.171 4.729 . 0 0 "[ . 1 . 2 ]" 1 4305 2 66 ILE MG 2 67 ILE HA 5.500 . 5.500 5.553 5.497 5.621 0.121 1 0 "[ . 1 . 2 ]" 1 4306 2 40 GLU QB 2 66 ILE MG 4.500 . 4.500 3.800 3.489 4.264 . 0 0 "[ . 1 . 2 ]" 1 4307 2 66 ILE QG 2 66 ILE MG 2.800 . 2.800 2.322 2.075 2.393 . 0 0 "[ . 1 . 2 ]" 1 4308 2 66 ILE MG 2 67 ILE MD 4.500 . 4.500 4.115 3.837 4.332 . 0 0 "[ . 1 . 2 ]" 1 4309 2 43 GLY QA 2 64 SER QB 5.500 . 5.500 4.499 3.877 5.178 . 0 0 "[ . 1 . 2 ]" 1 4310 2 67 ILE HA 2 67 ILE MG 3.500 . 3.500 2.580 2.319 2.714 . 0 0 "[ . 1 . 2 ]" 1 4311 2 37 ALA MB 2 67 ILE HB 5.500 . 5.500 3.495 3.025 3.982 . 0 0 "[ . 1 . 2 ]" 1 4312 2 67 ILE HB 2 90 PRO QG 4.500 . 4.500 4.522 4.054 4.792 0.292 1 0 "[ . 1 . 2 ]" 1 4313 2 38 GLY QA 2 67 ILE QG 5.500 . 5.500 4.677 4.113 4.945 . 0 0 "[ . 1 . 2 ]" 1 4314 2 67 ILE MG 2 68 ASP H 4.500 . 4.500 4.274 3.967 4.508 0.008 14 0 "[ . 1 . 2 ]" 1 4315 2 10 SER H 2 67 ILE MG 5.500 . 5.500 4.961 4.592 5.215 . 0 0 "[ . 1 . 2 ]" 1 4316 2 66 ILE HA 2 67 ILE MG 5.500 . 5.500 3.708 3.540 3.830 . 0 0 "[ . 1 . 2 ]" 1 4317 2 67 ILE MG 2 87 ASP HA 5.500 . 5.500 5.378 5.020 5.574 0.074 12 0 "[ . 1 . 2 ]" 1 4318 2 67 ILE MG 2 90 PRO QD 5.500 . 5.500 4.502 3.966 4.847 . 0 0 "[ . 1 . 2 ]" 1 4319 2 67 ILE MG 2 90 PRO QB 4.500 . 4.500 3.609 3.124 4.240 . 0 0 "[ . 1 . 2 ]" 1 4320 2 37 ALA MB 2 67 ILE MG 4.500 . 4.500 2.725 2.237 3.026 . 0 0 "[ . 1 . 2 ]" 1 4321 2 67 ILE MG 2 72 LEU QD 4.500 . 4.500 4.077 3.053 5.029 0.529 13 1 "[ . 1 + . 2 ]" 1 4322 2 68 ASP QB 2 71 ILE HB 4.500 . 4.500 4.045 3.598 4.581 0.081 11 0 "[ . 1 . 2 ]" 1 4323 2 66 ILE QG 2 68 ASP QB 5.500 . 5.500 3.741 3.320 4.901 . 0 0 "[ . 1 . 2 ]" 1 4324 2 68 ASP QB 2 71 ILE MD . . 2.800 2.410 2.147 2.806 0.006 4 0 "[ . 1 . 2 ]" 1 4325 2 68 ASP QB 2 71 ILE MG 5.500 . 5.500 4.982 4.764 5.288 . 0 0 "[ . 1 . 2 ]" 1 4326 2 64 SER H 2 68 ASP QB 5.500 . 5.500 4.964 4.753 5.263 . 0 0 "[ . 1 . 2 ]" 1 4327 2 69 SER HA 2 69 SER QB 2.800 . 2.800 2.318 2.262 2.358 . 0 0 "[ . 1 . 2 ]" 1 4328 2 69 SER HA 2 72 LEU QB 4.500 . 4.500 2.384 2.076 2.701 . 0 0 "[ . 1 . 2 ]" 1 4329 2 69 SER HA 2 72 LEU QD 3.500 . 3.500 3.488 3.104 3.896 0.396 17 0 "[ . 1 . 2 ]" 1 4330 2 67 ILE MD 2 69 SER HA 5.500 . 5.500 5.284 4.947 5.764 0.264 1 0 "[ . 1 . 2 ]" 1 4331 2 68 ASP QB 2 69 SER HA 5.500 . 5.500 3.082 2.421 3.698 . 0 0 "[ . 1 . 2 ]" 1 4332 2 69 SER QB 2 72 LEU H 5.500 . 5.500 4.923 4.769 5.010 . 0 0 "[ . 1 . 2 ]" 1 4333 2 69 SER QB 2 73 ASN QD 4.500 . 4.500 3.595 3.184 3.898 . 0 0 "[ . 1 . 2 ]" 1 4334 2 69 SER QB 2 71 ILE H 5.500 . 5.500 4.614 4.526 4.734 . 0 0 "[ . 1 . 2 ]" 1 4335 2 69 SER QB 2 70 ASP HA 4.500 . 4.500 3.854 3.572 4.010 . 0 0 "[ . 1 . 2 ]" 1 4336 2 69 SER QB 2 73 ASN QB 5.500 . 5.500 2.885 2.271 3.405 . 0 0 "[ . 1 . 2 ]" 1 4337 2 68 ASP QB 2 69 SER QB 5.500 . 5.500 3.955 3.713 4.089 . 0 0 "[ . 1 . 2 ]" 1 4338 2 69 SER QB 2 93 PRO QG 5.500 . 5.500 4.107 3.580 4.561 . 0 0 "[ . 1 . 2 ]" 1 4339 2 69 SER QB 2 72 LEU QB 5.500 . 5.500 4.258 3.957 4.595 . 0 0 "[ . 1 . 2 ]" 1 4340 2 67 ILE HB 2 69 SER QB 5.500 . 5.500 4.211 3.929 4.511 . 0 0 "[ . 1 . 2 ]" 1 4341 2 69 SER QB 2 72 LEU QD 4.500 . 4.500 4.554 4.160 4.864 0.364 3 0 "[ . 1 . 2 ]" 1 4342 2 67 ILE MD 2 69 SER QB 5.500 . 5.500 5.515 5.343 5.940 0.440 1 0 "[ . 1 . 2 ]" 1 4343 2 70 ASP HA 2 72 LEU H 5.500 . 5.500 5.011 4.736 5.147 . 0 0 "[ . 1 . 2 ]" 1 4344 2 69 SER HA 2 70 ASP HA 5.500 . 5.500 4.814 4.721 4.856 . 0 0 "[ . 1 . 2 ]" 1 4345 2 70 ASP HA 2 70 ASP QB 2.800 . 2.800 2.380 2.350 2.406 . 0 0 "[ . 1 . 2 ]" 1 4346 2 70 ASP QB 2 74 ASN QD . . 4.500 4.524 4.419 4.597 0.097 1 0 "[ . 1 . 2 ]" 1 4347 2 3 ASN QB 2 3 ASN QD 2.800 . 2.800 2.445 2.306 2.650 . 0 0 "[ . 1 . 2 ]" 1 4348 2 70 ASP QB 2 71 ILE HA 4.500 . 4.500 4.526 4.469 4.547 0.047 2 0 "[ . 1 . 2 ]" 1 4349 2 70 ASP QB 2 71 ILE QG 5.500 . 5.500 3.196 2.837 4.099 . 0 0 "[ . 1 . 2 ]" 1 4350 2 3 ASN QB 2 5 ILE QG 5.500 . 5.500 2.884 2.599 3.402 . 0 0 "[ . 1 . 2 ]" 1 4351 2 70 ASP QB 2 71 ILE MD 5.500 . 5.500 2.472 2.147 2.684 . 0 0 "[ . 1 . 2 ]" 1 4352 2 70 ASP QB 2 71 ILE MG 5.500 . 5.500 4.885 4.360 5.181 . 0 0 "[ . 1 . 2 ]" 1 4353 2 71 ILE HA 2 71 ILE MG 2.800 . 2.800 2.315 2.134 2.412 . 0 0 "[ . 1 . 2 ]" 1 4354 2 71 ILE HA 2 71 ILE MD 4.500 . 4.500 3.626 3.286 3.749 . 0 0 "[ . 1 . 2 ]" 1 4355 2 5 ILE MD 2 71 ILE HA 4.500 . 4.500 3.540 3.390 3.691 . 0 0 "[ . 1 . 2 ]" 1 4356 2 71 ILE HA 2 74 ASN QB 4.500 . 4.500 2.261 2.017 2.614 . 0 0 "[ . 1 . 2 ]" 1 4357 2 71 ILE HA 2 72 LEU H 5.500 . 5.500 3.637 3.601 3.667 . 0 0 "[ . 1 . 2 ]" 1 4358 2 70 ASP H 2 71 ILE HA 5.500 . 5.500 5.282 5.090 5.379 . 0 0 "[ . 1 . 2 ]" 1 4359 2 71 ILE HB 2 75 ALA H 5.500 . 5.500 5.583 5.377 6.127 0.627 1 1 "[+ . 1 . 2 ]" 1 4360 2 68 ASP QB 2 71 ILE HB 5.500 . 5.500 3.798 3.487 4.162 . 0 0 "[ . 1 . 2 ]" 1 4361 2 68 ASP QB 2 71 ILE HB 5.500 . 5.500 3.858 3.484 4.374 . 0 0 "[ . 1 . 2 ]" 1 4362 2 5 ILE MG 2 71 ILE HB 5.500 . 5.500 4.365 3.686 4.717 . 0 0 "[ . 1 . 2 ]" 1 4363 2 71 ILE HB 2 71 ILE MD 3.500 . 3.500 2.412 2.108 3.281 . 0 0 "[ . 1 . 2 ]" 1 4364 2 5 ILE MD 2 71 ILE QG 4.500 . 4.500 4.192 3.914 4.584 0.084 11 0 "[ . 1 . 2 ]" 1 4365 2 68 ASP QB 2 71 ILE QG 5.500 . 5.500 3.874 2.265 4.564 . 0 0 "[ . 1 . 2 ]" 1 4366 2 71 ILE MD 2 71 ILE MG 2.800 . 2.800 2.700 2.154 3.130 0.330 1 0 "[ . 1 . 2 ]" 1 4367 2 5 ILE MD 2 71 ILE MD 5.500 . 5.500 4.826 4.624 4.914 . 0 0 "[ . 1 . 2 ]" 1 4368 2 68 ASP QB 2 71 ILE MD 2.800 . 2.800 2.132 2.055 2.267 . 0 0 "[ . 1 . 2 ]" 1 4369 2 69 SER QB 2 71 ILE MD 5.500 . 5.500 5.554 5.534 5.578 0.078 2 0 "[ . 1 . 2 ]" 1 4370 2 35 TYR QE 2 71 ILE MD 5.500 . 5.500 4.155 2.501 5.497 . 0 0 "[ . 1 . 2 ]" 1 4371 2 68 ASP H 2 71 ILE MD 5.500 . 5.500 4.552 4.104 5.229 . 0 0 "[ . 1 . 2 ]" 1 4372 2 5 ILE MD 2 71 ILE MG 2.800 . 2.800 2.267 2.135 2.530 . 0 0 "[ . 1 . 2 ]" 1 4373 2 5 ILE HB 2 71 ILE MG 5.500 . 5.500 3.805 3.596 4.087 . 0 0 "[ . 1 . 2 ]" 1 4374 2 68 ASP QB 2 71 ILE MG 5.500 . 5.500 3.383 3.096 3.636 . 0 0 "[ . 1 . 2 ]" 1 4375 2 71 ILE MG 2 72 LEU HA 5.500 . 5.500 4.235 3.708 5.088 . 0 0 "[ . 1 . 2 ]" 1 4376 2 35 TYR QE 2 71 ILE MG 5.500 . 5.500 3.657 2.845 5.227 . 0 0 "[ . 1 . 2 ]" 1 4377 2 7 TYR QD 2 72 LEU HA 4.500 . 4.500 3.041 2.561 3.718 . 0 0 "[ . 1 . 2 ]" 1 4378 2 72 LEU HA 2 75 ALA MB . . 4.500 2.769 2.611 3.072 . 0 0 "[ . 1 . 2 ]" 1 4379 2 72 LEU HA 2 72 LEU QD . . 3.500 2.756 2.122 3.090 . 0 0 "[ . 1 . 2 ]" 1 4380 2 72 LEU HA 2 78 VAL QG 5.500 . 5.500 3.710 3.380 4.173 . 0 0 "[ . 1 . 2 ]" 1 4381 2 68 ASP QB 2 72 LEU QB 5.500 . 5.500 3.664 3.517 3.822 . 0 0 "[ . 1 . 2 ]" 1 4382 2 67 ILE MG 2 72 LEU QB 5.500 . 5.500 5.290 4.771 5.574 0.074 11 0 "[ . 1 . 2 ]" 1 4383 2 72 LEU QB 2 72 LEU QD . . 2.800 1.989 1.897 2.110 . 0 0 "[ . 1 . 2 ]" 1 4384 2 67 ILE MD 2 72 LEU QB 5.500 . 5.500 4.572 4.240 4.887 . 0 0 "[ . 1 . 2 ]" 1 4385 2 67 ILE H 2 72 LEU QD 5.500 . 5.500 4.042 3.525 4.458 . 0 0 "[ . 1 . 2 ]" 1 4386 2 7 TYR QD 2 72 LEU QD . . 4.500 2.606 2.342 2.909 . 0 0 "[ . 1 . 2 ]" 1 4387 2 72 LEU QD 2 78 VAL HA 4.500 . 4.500 4.066 3.383 4.502 0.002 5 0 "[ . 1 . 2 ]" 1 4388 2 72 LEU QD 2 92 THR HA 4.500 . 4.500 2.865 2.325 3.533 . 0 0 "[ . 1 . 2 ]" 1 4389 2 72 LEU QD 2 73 ASN HA 5.500 . 5.500 2.800 2.402 3.245 . 0 0 "[ . 1 . 2 ]" 1 4390 2 72 LEU QD 2 93 PRO QD . . 2.800 2.345 1.977 2.830 0.030 3 0 "[ . 1 . 2 ]" 1 4391 2 67 ILE HA 2 72 LEU QD 4.500 . 4.500 2.307 1.975 2.726 . 0 0 "[ . 1 . 2 ]" 1 4392 2 68 ASP QB 2 72 LEU QD 5.500 . 5.500 3.441 3.057 3.754 . 0 0 "[ . 1 . 2 ]" 1 4393 2 72 LEU QD 2 93 PRO QG . . 3.500 3.078 2.582 3.664 0.164 3 0 "[ . 1 . 2 ]" 1 4394 2 37 ALA MB 2 72 LEU QD . . 4.500 3.516 2.314 4.482 . 0 0 "[ . 1 . 2 ]" 1 4395 2 67 ILE MG 2 72 LEU QD 2.800 . 2.800 1.849 1.730 1.969 0.070 17 0 "[ . 1 . 2 ]" 1 4396 2 72 LEU QD 2 96 VAL QG 5.500 . 5.500 2.295 2.043 2.730 . 0 0 "[ . 1 . 2 ]" 1 4397 2 9 LEU QD 2 72 LEU QD 4.500 . 4.500 2.159 1.956 2.604 . 0 0 "[ . 1 . 2 ]" 1 4398 2 67 ILE H 2 72 LEU QD 5.500 . 5.500 3.746 3.398 4.060 . 0 0 "[ . 1 . 2 ]" 1 4399 2 72 LEU QD 2 75 ALA MB 4.500 . 4.500 3.401 2.836 4.021 . 0 0 "[ . 1 . 2 ]" 1 4400 2 72 LEU QD 2 78 VAL QG 2.800 . 2.800 1.853 1.731 1.973 0.069 17 0 "[ . 1 . 2 ]" 1 4401 2 73 ASN HA 2 96 VAL QG 5.500 . 5.500 2.273 2.048 2.628 . 0 0 "[ . 1 . 2 ]" 1 4402 2 72 LEU QB 2 73 ASN HA 2.800 . 2.800 2.853 2.686 3.130 0.330 1 0 "[ . 1 . 2 ]" 1 4403 2 73 ASN HA 2 73 ASN QB 2.800 . 2.800 2.129 2.110 2.156 . 0 0 "[ . 1 . 2 ]" 1 4404 2 73 ASN HA 2 93 PRO QG 5.500 . 5.500 2.905 2.723 3.220 . 0 0 "[ . 1 . 2 ]" 1 4405 2 73 ASN QB 2 75 ALA H 5.500 . 5.500 5.090 4.957 5.235 . 0 0 "[ . 1 . 2 ]" 1 4406 2 69 SER QB 2 73 ASN QB 5.500 . 5.500 2.871 2.269 3.373 . 0 0 "[ . 1 . 2 ]" 1 4407 2 72 LEU QB 2 73 ASN QB 5.500 . 5.500 2.402 2.078 3.141 . 0 0 "[ . 1 . 2 ]" 1 4408 2 72 LEU QB 2 73 ASN QB 5.500 . 5.500 3.930 3.769 4.173 . 0 0 "[ . 1 . 2 ]" 1 4409 2 71 ILE HB 2 74 ASN HA 5.500 . 5.500 4.920 4.882 4.954 . 0 0 "[ . 1 . 2 ]" 1 4410 2 5 ILE MG 2 74 ASN HA 5.500 . 5.500 5.425 5.218 5.558 0.058 7 0 "[ . 1 . 2 ]" 1 4411 2 71 ILE HB 2 74 ASN QB 5.500 . 5.500 3.927 3.756 4.118 . 0 0 "[ . 1 . 2 ]" 1 4412 2 5 ILE MD 2 74 ASN QB 3.500 . 3.500 2.855 2.304 3.327 . 0 0 "[ . 1 . 2 ]" 1 4413 2 5 ILE HB 2 75 ALA HA 3.500 . 3.500 2.076 2.027 2.132 . 0 0 "[ . 1 . 2 ]" 1 4414 2 75 ALA HA 2 96 VAL QG 5.500 . 5.500 4.001 3.925 4.132 . 0 0 "[ . 1 . 2 ]" 1 4415 2 5 ILE MD 2 75 ALA HA 2.800 . 2.800 2.292 2.173 2.455 . 0 0 "[ . 1 . 2 ]" 1 4416 2 5 ILE H 2 75 ALA MB 5.500 . 5.500 4.778 4.655 4.922 . 0 0 "[ . 1 . 2 ]" 1 4417 2 6 ILE H 2 75 ALA MB 5.500 . 5.500 3.878 3.695 4.098 . 0 0 "[ . 1 . 2 ]" 1 4418 2 7 TYR H 2 75 ALA MB 5.500 . 5.500 3.192 2.868 3.498 . 0 0 "[ . 1 . 2 ]" 1 4419 2 74 ASN H 2 75 ALA MB 4.500 . 4.500 4.142 4.042 4.221 . 0 0 "[ . 1 . 2 ]" 1 4420 2 7 TYR QD 2 75 ALA MB 4.500 . 4.500 2.897 2.157 3.511 . 0 0 "[ . 1 . 2 ]" 1 4421 2 74 ASN HA 2 75 ALA MB 5.500 . 5.500 4.985 4.949 5.025 . 0 0 "[ . 1 . 2 ]" 1 4422 2 75 ALA MB 2 78 VAL HA 4.500 . 4.500 4.200 4.048 4.378 . 0 0 "[ . 1 . 2 ]" 1 4423 2 73 ASN HA 2 75 ALA MB 5.500 . 5.500 4.597 4.388 4.828 . 0 0 "[ . 1 . 2 ]" 1 4424 2 7 TYR QB 2 75 ALA MB 4.500 . 4.500 2.339 2.089 2.665 . 0 0 "[ . 1 . 2 ]" 1 4425 2 73 ASN QB 2 75 ALA MB 4.500 . 4.500 4.101 3.929 4.292 . 0 0 "[ . 1 . 2 ]" 1 4426 2 5 ILE HB 2 75 ALA MB 3.500 . 3.500 3.520 3.430 3.573 0.073 6 0 "[ . 1 . 2 ]" 1 4427 2 5 ILE MG 2 75 ALA MB 2.800 . 2.800 2.143 2.074 2.218 . 0 0 "[ . 1 . 2 ]" 1 4428 2 75 ALA MB 2 96 VAL QG 2.800 . 2.800 2.157 2.097 2.222 . 0 0 "[ . 1 . 2 ]" 1 4429 2 71 ILE MG 2 75 ALA MB 4.500 . 4.500 3.896 3.355 4.528 0.028 11 0 "[ . 1 . 2 ]" 1 4430 2 76 ASP QB 2 77 LEU HA 5.500 . 5.500 4.284 4.123 4.465 . 0 0 "[ . 1 . 2 ]" 1 4431 2 76 ASP QB 2 77 LEU QB 5.500 . 5.500 3.236 2.919 3.554 . 0 0 "[ . 1 . 2 ]" 1 4432 2 6 ILE QG 2 77 LEU QB 4.500 . 4.500 2.261 2.005 2.500 . 0 0 "[ . 1 . 2 ]" 1 4433 2 77 LEU QB 2 77 LEU QD . . 2.800 2.015 1.918 2.125 . 0 0 "[ . 1 . 2 ]" 1 4434 2 7 TYR H 2 77 LEU QD 5.500 . 5.500 3.203 2.616 3.634 . 0 0 "[ . 1 . 2 ]" 1 4435 2 77 LEU QD 2 101 TRP HZ2 4.500 . 4.500 3.494 2.074 4.533 0.033 11 0 "[ . 1 . 2 ]" 1 4436 2 6 ILE HA 2 77 LEU QD 5.500 . 5.500 4.378 3.847 4.842 . 0 0 "[ . 1 . 2 ]" 1 4437 2 77 LEU QD 2 98 ARG HA 5.500 . 5.500 2.347 2.126 3.314 . 0 0 "[ . 1 . 2 ]" 1 4438 2 77 LEU HA 2 77 LEU QD . . 2.800 2.283 2.149 2.534 . 0 0 "[ . 1 . 2 ]" 1 4439 2 77 LEU QD 2 79 VAL HA 5.500 . 5.500 2.917 2.707 3.114 . 0 0 "[ . 1 . 2 ]" 1 4440 2 6 ILE HB 2 77 LEU QD . . 2.800 2.064 1.909 2.653 . 0 0 "[ . 1 . 2 ]" 1 4441 2 76 ASP H 2 77 LEU QD 5.500 . 5.500 5.464 5.224 5.544 0.044 18 0 "[ . 1 . 2 ]" 1 4442 2 77 LEU QD 2 79 VAL QG . . 2.800 2.062 1.850 2.332 . 0 0 "[ . 1 . 2 ]" 1 4443 2 77 LEU QD 2 97 LYS QG 5.500 . 5.500 2.700 2.042 3.312 . 0 0 "[ . 1 . 2 ]" 1 4444 2 77 LEU QD 2 80 THR H 4.500 . 4.500 4.382 4.162 4.670 0.170 1 0 "[ . 1 . 2 ]" 1 4445 2 77 LEU QD 2 98 ARG H 5.500 . 5.500 3.593 3.377 4.274 . 0 0 "[ . 1 . 2 ]" 1 4446 2 77 LEU QD 2 139 LYS HA 5.500 . 5.500 4.754 3.103 5.560 0.060 15 0 "[ . 1 . 2 ]" 1 4447 2 77 LEU QD 2 97 LYS HA 5.500 . 5.500 4.354 4.072 5.100 . 0 0 "[ . 1 . 2 ]" 1 4448 2 77 LEU QD 2 78 VAL HB 4.500 . 4.500 3.956 3.687 4.257 . 0 0 "[ . 1 . 2 ]" 1 4449 2 77 LEU QD 2 97 LYS QG 3.500 . 3.500 3.499 2.177 3.780 0.280 1 0 "[ . 1 . 2 ]" 1 4450 2 77 LEU QD 2 79 VAL HB 5.500 . 5.500 3.988 2.307 4.583 . 0 0 "[ . 1 . 2 ]" 1 4451 2 78 VAL HB 2 92 THR HA 5.500 . 5.500 4.586 4.242 5.164 . 0 0 "[ . 1 . 2 ]" 1 4452 2 9 LEU QB 2 78 VAL HB 4.500 . 4.500 4.481 4.223 4.704 0.204 8 0 "[ . 1 . 2 ]" 1 4453 2 75 ALA MB 2 78 VAL HB 4.500 . 4.500 2.768 2.483 3.099 . 0 0 "[ . 1 . 2 ]" 1 4454 2 9 LEU QB 2 78 VAL HB 5.500 . 5.500 2.288 2.160 2.674 . 0 0 "[ . 1 . 2 ]" 1 4455 2 78 VAL QG 2 79 VAL QG 5.500 . 5.500 4.066 3.767 4.174 . 0 0 "[ . 1 . 2 ]" 1 4456 2 9 LEU QD 2 78 VAL QG . . 2.800 2.075 1.946 2.305 . 0 0 "[ . 1 . 2 ]" 1 4457 2 78 VAL QG 2 96 VAL QG 3.500 . 3.500 1.924 1.832 2.062 . 0 0 "[ . 1 . 2 ]" 1 4458 2 9 LEU QB 2 78 VAL QG 2.800 . 2.800 2.555 2.121 2.899 0.099 12 0 "[ . 1 . 2 ]" 1 4459 2 78 VAL QG 2 79 VAL HB 4.500 . 4.500 3.293 3.019 3.412 . 0 0 "[ . 1 . 2 ]" 1 4460 2 78 VAL QG 2 90 PRO QG 5.500 . 5.500 4.793 4.155 5.112 . 0 0 "[ . 1 . 2 ]" 1 4461 2 78 VAL QG 2 92 THR HB 5.500 . 5.500 3.164 2.620 3.795 . 0 0 "[ . 1 . 2 ]" 1 4462 2 78 VAL QG 2 79 VAL HA 5.500 . 5.500 4.159 3.928 4.352 . 0 0 "[ . 1 . 2 ]" 1 4463 2 78 VAL HA 2 78 VAL QG 2.800 . 2.800 2.106 2.071 2.156 . 0 0 "[ . 1 . 2 ]" 1 4464 2 78 VAL QG 2 98 ARG HA 5.500 . 5.500 3.673 3.421 3.979 . 0 0 "[ . 1 . 2 ]" 1 4465 2 7 TYR QD 2 78 VAL QG . . 4.500 3.010 2.177 3.870 . 0 0 "[ . 1 . 2 ]" 1 4466 2 78 VAL QG 2 80 THR H 4.500 . 4.500 3.820 3.407 4.137 . 0 0 "[ . 1 . 2 ]" 1 4467 2 9 LEU H 2 78 VAL QG 5.500 . 5.500 3.791 3.285 4.133 . 0 0 "[ . 1 . 2 ]" 1 4468 2 75 ALA MB 2 78 VAL QG 2.800 . 2.800 2.843 2.804 2.954 0.154 1 0 "[ . 1 . 2 ]" 1 4469 2 72 LEU QB 2 78 VAL QG 4.500 . 4.500 3.925 3.689 4.223 . 0 0 "[ . 1 . 2 ]" 1 4470 2 78 VAL QG 2 93 PRO QG 5.500 . 5.500 4.809 4.566 5.241 . 0 0 "[ . 1 . 2 ]" 1 4471 2 75 ALA H 2 78 VAL QG 5.500 . 5.500 4.713 4.480 4.903 . 0 0 "[ . 1 . 2 ]" 1 4472 2 79 VAL HA 2 80 THR MG 5.500 . 5.500 3.946 3.355 4.190 . 0 0 "[ . 1 . 2 ]" 1 4473 2 8 PHE QD 2 79 VAL HB 3.500 . 3.500 2.372 2.116 3.502 0.002 2 0 "[ . 1 . 2 ]" 1 4474 2 79 VAL QG 2 80 THR H 4.500 . 4.500 3.231 2.961 3.455 . 0 0 "[ . 1 . 2 ]" 1 4475 2 8 PHE QD 2 79 VAL QG . . 2.800 2.374 1.968 2.806 0.006 14 0 "[ . 1 . 2 ]" 1 4476 2 8 PHE HA 2 79 VAL QG 4.500 . 4.500 3.355 2.395 3.611 . 0 0 "[ . 1 . 2 ]" 1 4477 2 78 VAL HA 2 79 VAL QG . . 4.500 3.720 3.450 3.917 . 0 0 "[ . 1 . 2 ]" 1 4478 2 79 VAL QG 2 81 LEU QD 3.500 . 3.500 2.122 1.962 2.458 . 0 0 "[ . 1 . 2 ]" 1 4479 2 9 LEU QB 2 79 VAL QG 5.500 . 5.500 4.372 4.139 4.525 . 0 0 "[ . 1 . 2 ]" 1 4480 2 79 VAL H 2 79 VAL QG 3.500 . 3.500 2.304 1.987 2.534 . 0 0 "[ . 1 . 2 ]" 1 4481 2 6 ILE HA 2 79 VAL QG 5.500 . 5.500 3.280 2.514 3.942 . 0 0 "[ . 1 . 2 ]" 1 4482 2 79 VAL QG 2 81 LEU QB 5.500 . 5.500 2.822 2.103 4.620 . 0 0 "[ . 1 . 2 ]" 1 4483 2 78 VAL HB 2 79 VAL QG 5.500 . 5.500 5.289 5.132 5.396 . 0 0 "[ . 1 . 2 ]" 1 4484 2 6 ILE QG 2 79 VAL QG 3.500 . 3.500 2.566 2.297 2.938 . 0 0 "[ . 1 . 2 ]" 1 4485 2 80 THR HB 2 81 LEU H 4.500 . 4.500 4.245 3.882 4.519 0.019 5 0 "[ . 1 . 2 ]" 1 4486 2 80 THR HB 2 100 HIS HA 5.500 . 5.500 2.243 2.032 2.691 . 0 0 "[ . 1 . 2 ]" 1 4487 2 9 LEU QB 2 80 THR HB 5.500 . 5.500 3.862 3.347 4.399 . 0 0 "[ . 1 . 2 ]" 1 4488 2 80 THR HB 2 82 SER H 5.500 . 5.500 4.801 3.877 5.583 0.083 9 0 "[ . 1 . 2 ]" 1 4489 2 79 VAL QG 2 81 LEU QD . . 4.500 2.173 1.984 2.792 . 0 0 "[ . 1 . 2 ]" 1 4490 2 81 LEU QD 2 127 ILE MD 3.500 . 3.500 2.254 1.962 2.668 . 0 0 "[ . 1 . 2 ]" 1 4491 2 80 THR MG 2 81 LEU QD 5.500 . 5.500 2.917 2.146 3.364 . 0 0 "[ . 1 . 2 ]" 1 4492 2 17 SER HA 2 81 LEU QD 3.500 . 3.500 2.280 1.971 2.984 . 0 0 "[ . 1 . 2 ]" 1 4493 2 21 GLU H 2 81 LEU QD 5.500 . 5.500 4.542 4.263 5.015 . 0 0 "[ . 1 . 2 ]" 1 4494 2 80 THR H 2 81 LEU QD 4.500 . 4.500 3.493 1.883 3.848 . 0 0 "[ . 1 . 2 ]" 1 4495 2 8 PHE H 2 81 LEU QD 5.500 . 5.500 5.239 4.603 5.504 0.004 19 0 "[ . 1 . 2 ]" 1 4496 2 97 LYS QE 2 139 LYS QG 2.800 . 2.800 2.346 2.140 2.618 . 0 0 "[ . 1 . 2 ]" 1 4497 2 139 LYS HA 2 139 LYS QG 2.800 . 2.800 2.544 2.098 2.903 0.103 17 0 "[ . 1 . 2 ]" 1 4498 2 28 LEU QD 2 135 ALA MB . . 2.800 2.108 1.995 2.375 . 0 0 "[ . 1 . 2 ]" 1 4499 2 132 LYS QG 2 135 ALA MB 4.500 . 4.500 3.733 3.262 4.563 0.063 10 0 "[ . 1 . 2 ]" 1 4500 2 32 TRP HE1 2 135 ALA MB 5.500 . 5.500 4.693 3.815 5.312 . 0 0 "[ . 1 . 2 ]" 1 4501 2 132 LYS QB 2 135 ALA MB 4.500 . 4.500 4.378 3.618 4.577 0.077 1 0 "[ . 1 . 2 ]" 1 4502 2 85 ALA MB 2 86 ALA MB 4.500 . 4.500 4.066 3.345 4.511 0.011 3 0 "[ . 1 . 2 ]" 1 4503 2 133 GLU QB 2 135 ALA MB 4.500 . 4.500 4.133 4.059 4.249 . 0 0 "[ . 1 . 2 ]" 1 4504 2 135 ALA MB 2 136 GLU QG . . 3.500 2.967 2.809 3.194 . 0 0 "[ . 1 . 2 ]" 1 4505 2 85 ALA MB 2 87 ASP QB 5.500 . 5.500 5.061 2.414 5.509 0.009 16 0 "[ . 1 . 2 ]" 1 4506 2 135 ALA MB 2 138 GLY QA 5.500 . 5.500 5.484 5.329 5.533 0.033 4 0 "[ . 1 . 2 ]" 1 4507 2 11 THR HA 2 85 ALA MB 4.500 . 4.500 4.476 3.538 4.840 0.340 1 0 "[ . 1 . 2 ]" 1 4508 2 131 LEU HA 2 135 ALA MB 4.500 . 4.500 3.808 3.728 3.942 . 0 0 "[ . 1 . 2 ]" 1 4509 2 28 LEU HA 2 135 ALA MB 3.500 . 3.500 3.486 2.996 3.781 0.281 1 0 "[ . 1 . 2 ]" 1 4510 2 27 TYR QD 2 135 ALA MB 2.800 . 2.800 2.629 2.114 2.846 0.046 3 0 "[ . 1 . 2 ]" 1 4511 2 26 GLN H 2 135 ALA MB 5.500 . 5.500 5.408 4.950 5.635 0.135 18 0 "[ . 1 . 2 ]" 1 4512 2 133 GLU H 2 135 ALA MB 5.500 . 5.500 4.991 4.850 5.079 . 0 0 "[ . 1 . 2 ]" 1 4513 2 27 TYR H 2 135 ALA MB 4.500 . 4.500 4.013 3.674 4.219 . 0 0 "[ . 1 . 2 ]" 1 4514 2 11 THR MG 2 86 ALA HA 5.500 . 5.500 3.661 3.491 3.993 . 0 0 "[ . 1 . 2 ]" 1 4515 2 86 ALA MB 2 87 ASP H 5.500 . 5.500 3.162 2.113 3.810 . 0 0 "[ . 1 . 2 ]" 1 4516 2 12 GLY H 2 86 ALA MB 5.500 . 5.500 5.029 3.850 5.509 0.009 16 0 "[ . 1 . 2 ]" 1 4517 2 86 ALA MB 2 87 ASP HA 5.500 . 5.500 4.012 3.372 4.316 . 0 0 "[ . 1 . 2 ]" 1 4518 2 11 THR HB 2 86 ALA MB 5.500 . 5.500 3.811 3.270 4.202 . 0 0 "[ . 1 . 2 ]" 1 4519 2 86 ALA MB 2 108 ARG QD 5.500 . 5.500 5.589 5.534 5.885 0.385 1 0 "[ . 1 . 2 ]" 1 4520 2 40 GLU QG 2 86 ALA MB 5.500 . 5.500 5.576 5.501 5.768 0.268 1 0 "[ . 1 . 2 ]" 1 4521 2 86 ALA HA 2 88 LYS HA 5.500 . 5.500 5.090 4.518 5.536 0.036 20 0 "[ . 1 . 2 ]" 1 4522 2 91 MET HA 2 91 MET QG . . 3.500 3.415 3.382 3.537 0.037 1 0 "[ . 1 . 2 ]" 1 4523 2 90 PRO QB 2 91 MET HA 4.500 . 4.500 4.507 4.390 4.547 0.047 19 0 "[ . 1 . 2 ]" 1 4524 2 91 MET HA 2 91 MET ME 4.500 . 4.500 5.087 5.054 5.318 0.818 1 21 [+******-*************] 1 4525 2 91 MET HA 2 92 THR MG 5.500 . 5.500 4.267 3.869 4.889 . 0 0 "[ . 1 . 2 ]" 1 4526 2 91 MET ME 2 91 MET QG 2.800 . 2.800 1.973 1.926 2.203 . 0 0 "[ . 1 . 2 ]" 1 4527 2 90 PRO QB 2 91 MET ME 5.500 . 5.500 5.516 5.347 5.880 0.380 1 0 "[ . 1 . 2 ]" 1 4528 2 91 MET ME 2 93 PRO QG 5.500 . 5.500 4.486 4.098 4.782 . 0 0 "[ . 1 . 2 ]" 1 4529 2 91 MET ME 2 93 PRO QD 4.500 . 4.500 3.742 3.383 3.975 . 0 0 "[ . 1 . 2 ]" 1 4530 2 91 MET ME 2 92 THR H 4.500 . 4.500 4.625 4.122 4.882 0.382 1 0 "[ . 1 . 2 ]" 1 4531 2 91 MET H 2 91 MET ME 3.500 . 3.500 3.691 3.627 4.206 0.706 1 1 "[+ . 1 . 2 ]" 1 4532 2 67 ILE MD 2 90 PRO HA 4.500 . 4.500 4.027 3.826 4.379 . 0 0 "[ . 1 . 2 ]" 1 4533 2 72 LEU QD 2 90 PRO QB 5.500 . 5.500 3.767 3.132 4.345 . 0 0 "[ . 1 . 2 ]" 1 4534 2 67 ILE MD 2 90 PRO QB 3.500 . 3.500 3.021 2.373 3.522 0.022 14 0 "[ . 1 . 2 ]" 1 4535 2 67 ILE MD 2 90 PRO QB 4.500 . 4.500 2.873 2.310 3.350 . 0 0 "[ . 1 . 2 ]" 1 4536 2 9 LEU QD 2 90 PRO QB 5.500 . 5.500 2.238 2.022 2.967 . 0 0 "[ . 1 . 2 ]" 1 4537 2 92 THR HA 2 93 PRO QD 4.500 . 4.500 2.017 1.953 2.073 . 0 0 "[ . 1 . 2 ]" 1 4538 2 92 THR HA 2 93 PRO QB 5.500 . 5.500 3.746 3.680 3.783 . 0 0 "[ . 1 . 2 ]" 1 4539 2 78 VAL QG 2 92 THR HA 2.800 . 2.800 2.212 2.124 2.296 . 0 0 "[ . 1 . 2 ]" 1 4540 2 78 VAL QG 2 92 THR HA 4.500 . 4.500 3.702 3.463 4.124 . 0 0 "[ . 1 . 2 ]" 1 4541 2 92 THR HA 2 96 VAL QG 5.500 . 5.500 4.329 3.415 4.848 . 0 0 "[ . 1 . 2 ]" 1 4542 2 92 THR HB 2 96 VAL QG 5.500 . 5.500 3.809 2.496 4.368 . 0 0 "[ . 1 . 2 ]" 1 4543 2 78 VAL QG 2 92 THR HB 4.500 . 4.500 2.915 2.450 3.217 . 0 0 "[ . 1 . 2 ]" 1 4544 2 78 VAL HB 2 92 THR HB 5.500 . 5.500 3.886 3.293 4.337 . 0 0 "[ . 1 . 2 ]" 1 4545 2 92 THR HB 2 93 PRO QG 5.500 . 5.500 5.130 4.687 5.358 . 0 0 "[ . 1 . 2 ]" 1 4546 2 92 THR HB 2 93 PRO QD . . 4.500 3.699 3.173 3.934 . 0 0 "[ . 1 . 2 ]" 1 4547 2 9 LEU QD 2 92 THR MG 2.800 . 2.800 2.486 2.187 2.849 0.049 14 0 "[ . 1 . 2 ]" 1 4548 2 92 THR MG 2 96 VAL QG 4.500 . 4.500 3.956 2.929 4.382 . 0 0 "[ . 1 . 2 ]" 1 4549 2 78 VAL QG 2 92 THR MG 2.800 . 2.800 2.043 1.951 2.211 . 0 0 "[ . 1 . 2 ]" 1 4550 2 92 THR MG 2 98 ARG QB 2.800 . 2.800 2.462 2.092 2.706 . 0 0 "[ . 1 . 2 ]" 1 4551 2 9 LEU QB 2 92 THR MG 4.500 . 4.500 4.146 3.802 4.710 0.210 14 0 "[ . 1 . 2 ]" 1 4552 2 78 VAL HB 2 92 THR MG 3.500 . 3.500 2.785 2.385 3.309 . 0 0 "[ . 1 . 2 ]" 1 4553 2 92 THR MG 2 98 ARG QG 2.800 . 2.800 2.600 2.254 2.827 0.027 12 0 "[ . 1 . 2 ]" 1 4554 2 92 THR MG 2 93 PRO QG 5.500 . 5.500 5.054 4.669 5.271 . 0 0 "[ . 1 . 2 ]" 1 4555 2 91 MET QG 2 92 THR MG 5.500 . 5.500 5.415 5.234 5.539 0.039 13 0 "[ . 1 . 2 ]" 1 4556 2 92 THR MG 2 98 ARG QD 5.500 . 5.500 2.694 2.018 3.691 . 0 0 "[ . 1 . 2 ]" 1 4557 2 92 THR MG 2 93 PRO QD 4.500 . 4.500 3.471 3.018 3.675 . 0 0 "[ . 1 . 2 ]" 1 4558 2 92 THR HA 2 92 THR MG 2.800 . 2.800 2.230 2.137 2.330 . 0 0 "[ . 1 . 2 ]" 1 4559 2 78 VAL HA 2 92 THR MG 5.500 . 5.500 4.907 4.628 5.221 . 0 0 "[ . 1 . 2 ]" 1 4560 2 92 THR H 2 92 THR MG 3.500 . 3.500 2.550 2.313 2.923 . 0 0 "[ . 1 . 2 ]" 1 4561 2 80 THR H 2 92 THR MG 5.500 . 5.500 5.564 5.462 5.626 0.126 11 0 "[ . 1 . 2 ]" 1 4562 2 93 PRO QD 2 96 VAL QG 5.500 . 5.500 3.419 2.489 3.902 . 0 0 "[ . 1 . 2 ]" 1 4563 2 78 VAL QG 2 93 PRO QD 5.500 . 5.500 3.930 3.595 4.302 . 0 0 "[ . 1 . 2 ]" 1 4564 2 78 VAL HB 2 93 PRO QD 5.500 . 5.500 4.713 4.124 5.516 0.016 7 0 "[ . 1 . 2 ]" 1 4565 2 93 PRO QG 2 96 VAL QG . . 3.500 2.906 2.423 3.229 . 0 0 "[ . 1 . 2 ]" 1 4566 2 110 GLN QB 2 115 GLU H 4.500 . 4.500 4.613 4.577 4.753 0.253 1 0 "[ . 1 . 2 ]" 1 4567 2 110 GLN QB 2 111 GLY QA 4.500 . 4.500 4.183 4.077 4.472 . 0 0 "[ . 1 . 2 ]" 1 4568 2 93 PRO QB 2 94 PRO QD . . 3.500 2.718 2.375 3.005 . 0 0 "[ . 1 . 2 ]" 1 4569 2 109 ALA HA 2 110 GLN QB 5.500 . 5.500 4.208 4.085 4.548 . 0 0 "[ . 1 . 2 ]" 1 4570 2 93 PRO QB 2 94 PRO QG 4.500 . 4.500 4.158 3.912 4.560 0.060 15 0 "[ . 1 . 2 ]" 1 4571 2 72 LEU QD 2 93 PRO QB 5.500 . 5.500 4.610 4.194 5.156 . 0 0 "[ . 1 . 2 ]" 1 4572 2 93 PRO QB 2 96 VAL QG . . 4.500 4.169 3.963 4.476 . 0 0 "[ . 1 . 2 ]" 1 4573 2 95 HIS HA 2 96 VAL QG 5.500 . 5.500 4.218 4.021 4.658 . 0 0 "[ . 1 . 2 ]" 1 4574 2 90 PRO QB 2 90 PRO QD 2.800 . 2.800 2.332 2.277 2.454 . 0 0 "[ . 1 . 2 ]" 1 4575 2 92 THR HA 2 94 PRO QD 4.500 . 4.500 5.074 5.004 5.120 0.620 19 21 [******************+-*] 1 4576 2 94 PRO QD 2 95 HIS QB 5.500 . 5.500 5.063 4.598 5.328 . 0 0 "[ . 1 . 2 ]" 1 4577 2 93 PRO QG 2 94 PRO QD 4.500 . 4.500 4.320 4.121 4.468 . 0 0 "[ . 1 . 2 ]" 1 4578 2 96 VAL HA 2 97 LYS QB 4.500 . 4.500 4.058 3.918 4.167 . 0 0 "[ . 1 . 2 ]" 1 4579 2 76 ASP QB 2 96 VAL HA 5.500 . 5.500 5.068 4.894 5.303 . 0 0 "[ . 1 . 2 ]" 1 4580 2 96 VAL HA 2 96 VAL QG 2.800 . 2.800 2.159 2.096 2.338 . 0 0 "[ . 1 . 2 ]" 1 4581 2 78 VAL H 2 96 VAL QG 5.500 . 5.500 2.972 2.587 3.834 . 0 0 "[ . 1 . 2 ]" 1 4582 2 7 TYR H 2 96 VAL QG 5.500 . 5.500 4.542 4.342 4.838 . 0 0 "[ . 1 . 2 ]" 1 4583 2 78 VAL HA 2 96 VAL QG 4.500 . 4.500 4.088 3.905 4.447 . 0 0 "[ . 1 . 2 ]" 1 4584 2 72 LEU QD 2 96 VAL QG 2.800 . 2.800 1.819 1.725 1.918 0.075 4 0 "[ . 1 . 2 ]" 1 4585 2 77 LEU HA 2 96 VAL QG 4.500 . 4.500 2.595 2.342 3.120 . 0 0 "[ . 1 . 2 ]" 1 4586 2 72 LEU HA 2 96 VAL QG 5.500 . 5.500 4.009 3.680 4.306 . 0 0 "[ . 1 . 2 ]" 1 4587 2 77 LEU QB 2 96 VAL QG 5.500 . 5.500 4.065 3.857 4.650 . 0 0 "[ . 1 . 2 ]" 1 4588 2 96 VAL QG 2 98 ARG QB 5.500 . 5.500 4.069 3.470 4.412 . 0 0 "[ . 1 . 2 ]" 1 4589 2 97 LYS HA 2 97 LYS QB 2.800 . 2.800 2.417 2.203 2.458 . 0 0 "[ . 1 . 2 ]" 1 4590 2 97 LYS HA 2 97 LYS QG 3.500 . 3.500 2.330 2.199 3.450 . 0 0 "[ . 1 . 2 ]" 1 4591 2 97 LYS HA 2 98 ARG QB 4.500 . 4.500 4.071 3.854 4.215 . 0 0 "[ . 1 . 2 ]" 1 4592 2 77 LEU QD 2 97 LYS HA 4.500 . 4.500 3.694 3.548 3.855 . 0 0 "[ . 1 . 2 ]" 1 4593 2 77 LEU QD 2 97 LYS HA 5.500 . 5.500 3.769 3.610 3.937 . 0 0 "[ . 1 . 2 ]" 1 4594 2 46 PRO QB 2 47 ASN QB 5.500 . 5.500 3.789 3.336 4.082 . 0 0 "[ . 1 . 2 ]" 1 4595 2 77 LEU QD 2 97 LYS QG . . 3.500 3.432 2.155 3.689 0.189 1 0 "[ . 1 . 2 ]" 1 4596 2 97 LYS H 2 97 LYS QE 5.500 . 5.500 4.600 4.253 5.137 . 0 0 "[ . 1 . 2 ]" 1 4597 2 97 LYS QB 2 97 LYS QE 2.800 . 2.800 2.278 2.029 2.938 0.138 10 0 "[ . 1 . 2 ]" 1 4598 2 97 LYS QE 2 97 LYS QG 2.800 . 2.800 2.734 1.996 2.865 0.065 13 0 "[ . 1 . 2 ]" 1 4599 2 76 ASP QB 2 84 ASP QB 4.500 . 4.500 4.448 2.376 4.889 0.389 1 0 "[ . 1 . 2 ]" 1 4600 2 6 ILE QG 2 97 LYS QE 5.500 . 5.500 5.600 5.504 6.042 0.542 1 1 "[+ . 1 . 2 ]" 1 4601 2 78 VAL H 2 98 ARG HA 4.500 . 4.500 2.470 2.242 2.807 . 0 0 "[ . 1 . 2 ]" 1 4602 2 78 VAL HA 2 98 ARG HA 5.500 . 5.500 4.668 4.541 4.926 . 0 0 "[ . 1 . 2 ]" 1 4603 2 97 LYS HA 2 98 ARG HA 5.500 . 5.500 4.554 4.519 4.586 . 0 0 "[ . 1 . 2 ]" 1 4604 2 78 VAL QG 2 98 ARG HA 5.500 . 5.500 3.542 3.326 3.723 . 0 0 "[ . 1 . 2 ]" 1 4605 2 77 LEU QD 2 98 ARG HA 4.500 . 4.500 2.301 2.111 2.989 . 0 0 "[ . 1 . 2 ]" 1 4606 2 78 VAL HA 2 98 ARG QB 5.500 . 5.500 5.463 5.212 5.887 0.387 1 0 "[ . 1 . 2 ]" 1 4607 2 92 THR MG 2 98 ARG QB 5.500 . 5.500 3.105 2.246 3.458 . 0 0 "[ . 1 . 2 ]" 1 4608 2 78 VAL QG 2 98 ARG QB 5.500 . 5.500 3.203 2.996 3.394 . 0 0 "[ . 1 . 2 ]" 1 4609 2 78 VAL HA 2 98 ARG QG 4.500 . 4.500 4.567 4.456 4.768 0.268 1 0 "[ . 1 . 2 ]" 1 4610 2 78 VAL QG 2 98 ARG QD 5.500 . 5.500 3.871 3.010 4.352 . 0 0 "[ . 1 . 2 ]" 1 4611 2 107 ALA HA 2 108 ARG H 3.500 . 3.500 3.301 3.128 3.417 . 0 0 "[ . 1 . 2 ]" 1 4612 2 107 ALA HA 2 109 ALA H 5.500 . 5.500 3.923 3.411 5.312 . 0 0 "[ . 1 . 2 ]" 1 4613 2 106 PRO QD 2 107 ALA HA 5.500 . 5.500 5.106 4.897 5.275 . 0 0 "[ . 1 . 2 ]" 1 4614 2 99 GLU HA 2 99 GLU QB 2.800 . 2.800 2.419 2.368 2.491 . 0 0 "[ . 1 . 2 ]" 1 4615 2 15 ALA MB 2 107 ALA HA 4.500 . 4.500 3.794 2.978 4.352 . 0 0 "[ . 1 . 2 ]" 1 4616 2 47 ASN QB 2 99 GLU HA 5.500 . 5.500 4.399 3.792 5.355 . 0 0 "[ . 1 . 2 ]" 1 4617 2 79 VAL QG 2 101 TRP QB 5.500 . 5.500 2.416 2.082 4.699 . 0 0 "[ . 1 . 2 ]" 1 4618 2 104 ASP HA 2 105 ASP H 4.500 . 4.500 2.531 2.348 2.611 . 0 0 "[ . 1 . 2 ]" 1 4619 2 103 PHE HA 2 104 ASP HA 5.500 . 5.500 4.619 4.463 4.803 . 0 0 "[ . 1 . 2 ]" 1 4620 2 104 ASP HA 2 104 ASP QB 2.800 . 2.800 2.360 2.181 2.511 . 0 0 "[ . 1 . 2 ]" 1 4621 2 104 ASP HA 2 105 ASP QB 4.500 . 4.500 3.985 3.708 4.285 . 0 0 "[ . 1 . 2 ]" 1 4622 2 104 ASP HA 2 123 VAL QG 4.500 . 4.500 4.651 4.184 5.198 0.698 2 4 "[ + **- 1 . 2 ]" 1 4623 2 104 ASP QB 2 123 VAL QG 4.500 . 4.500 2.822 2.108 4.121 . 0 0 "[ . 1 . 2 ]" 1 4624 2 27 TYR QD 2 132 LYS QE 3.500 . 3.500 3.373 2.696 3.638 0.138 1 0 "[ . 1 . 2 ]" 1 4625 2 105 ASP HA 2 106 PRO QD 5.500 . 5.500 2.034 1.974 2.177 . 0 0 "[ . 1 . 2 ]" 1 4626 2 105 ASP HA 2 123 VAL QG 3.500 . 3.500 3.268 2.798 3.621 0.121 17 0 "[ . 1 . 2 ]" 1 4627 2 106 PRO HA 2 107 ALA H 5.500 . 5.500 3.464 3.376 3.518 . 0 0 "[ . 1 . 2 ]" 1 4628 2 47 ASN QD 2 106 PRO HA 5.500 . 5.500 4.649 4.338 5.716 0.216 17 0 "[ . 1 . 2 ]" 1 4629 2 106 PRO HA 2 108 ARG H 3.500 . 3.500 3.230 2.976 3.561 0.061 11 0 "[ . 1 . 2 ]" 1 4630 2 106 PRO HA 2 107 ALA MB 5.500 . 5.500 4.371 4.266 4.597 . 0 0 "[ . 1 . 2 ]" 1 4631 2 106 PRO HA 2 123 VAL QG 5.500 . 5.500 3.272 2.814 3.624 . 0 0 "[ . 1 . 2 ]" 1 4632 2 106 PRO QB 2 107 ALA H 5.500 . 5.500 3.044 2.798 3.177 . 0 0 "[ . 1 . 2 ]" 1 4633 2 106 PRO QB 2 108 ARG H 4.500 . 4.500 4.450 4.319 4.606 0.106 1 0 "[ . 1 . 2 ]" 1 4634 2 47 ASN QD 2 106 PRO QB 5.500 . 5.500 2.386 1.958 3.765 . 0 0 "[ . 1 . 2 ]" 1 4635 2 106 PRO QB 2 120 PHE HA 5.500 . 5.500 2.309 2.113 2.611 . 0 0 "[ . 1 . 2 ]" 1 4636 2 15 ALA MB 2 106 PRO QB 5.500 . 5.500 3.941 3.375 4.490 . 0 0 "[ . 1 . 2 ]" 1 4637 2 106 PRO QB 2 123 VAL QG 5.500 . 5.500 2.481 2.115 2.838 . 0 0 "[ . 1 . 2 ]" 1 4638 2 106 PRO QG 2 108 ARG H 5.500 . 5.500 4.811 4.644 4.959 . 0 0 "[ . 1 . 2 ]" 1 4639 2 106 PRO QG 2 123 VAL QG 4.500 . 4.500 2.460 2.135 2.865 . 0 0 "[ . 1 . 2 ]" 1 4640 2 106 PRO QD 2 107 ALA H 5.500 . 5.500 2.612 2.395 2.789 . 0 0 "[ . 1 . 2 ]" 1 4641 2 106 PRO QD 2 108 ARG H 5.500 . 5.500 4.436 4.106 4.594 . 0 0 "[ . 1 . 2 ]" 1 4642 2 82 SER HA 2 106 PRO QD 5.500 . 5.500 5.182 4.338 5.694 0.194 1 0 "[ . 1 . 2 ]" 1 4643 2 106 PRO QD 2 108 ARG QG . . 4.500 4.584 4.484 4.835 0.335 1 0 "[ . 1 . 2 ]" 1 4644 2 106 PRO QD 2 123 VAL QG . . 4.500 1.955 1.865 2.096 . 0 0 "[ . 1 . 2 ]" 1 4645 2 107 ALA H 2 107 ALA MB 2.800 . 2.800 2.214 2.114 2.292 . 0 0 "[ . 1 . 2 ]" 1 4646 2 107 ALA MB 2 108 ARG H 3.500 . 3.500 3.307 3.051 3.485 . 0 0 "[ . 1 . 2 ]" 1 4647 2 107 ALA MB 2 109 ALA H 5.500 . 5.500 4.649 4.386 5.181 . 0 0 "[ . 1 . 2 ]" 1 4648 2 106 PRO HA 2 107 ALA MB 4.500 . 4.500 3.730 3.557 3.882 . 0 0 "[ . 1 . 2 ]" 1 4649 2 107 ALA MB 2 108 ARG QD 5.500 . 5.500 3.091 2.449 3.882 . 0 0 "[ . 1 . 2 ]" 1 4650 2 107 ALA MB 2 108 ARG QB 5.500 . 5.500 4.638 4.346 4.847 . 0 0 "[ . 1 . 2 ]" 1 4651 2 106 PRO QB 2 107 ALA MB 5.500 . 5.500 3.563 3.307 3.898 . 0 0 "[ . 1 . 2 ]" 1 4652 2 107 ALA H 2 108 ARG HA 5.500 . 5.500 5.250 4.982 5.447 . 0 0 "[ . 1 . 2 ]" 1 4653 2 108 ARG HA 2 109 ALA H 4.500 . 4.500 3.274 3.088 3.569 . 0 0 "[ . 1 . 2 ]" 1 4654 2 108 ARG HA 2 108 ARG QD 2.800 . 2.800 2.445 2.164 2.844 0.044 15 0 "[ . 1 . 2 ]" 1 4655 2 108 ARG HA 2 108 ARG QB 2.800 . 2.800 2.291 2.238 2.348 . 0 0 "[ . 1 . 2 ]" 1 4656 2 108 ARG HA 2 108 ARG QG 3.500 . 3.500 3.197 3.064 3.345 . 0 0 "[ . 1 . 2 ]" 1 4657 2 108 ARG QB 2 108 ARG QD . . 2.800 2.686 2.370 2.941 0.141 10 0 "[ . 1 . 2 ]" 1 4658 2 107 ALA H 2 108 ARG QG 5.500 . 5.500 3.602 3.360 4.045 . 0 0 "[ . 1 . 2 ]" 1 4659 2 108 ARG H 2 108 ARG QG 3.500 . 3.500 2.489 2.102 2.716 . 0 0 "[ . 1 . 2 ]" 1 4660 2 108 ARG QG 2 109 ALA H 5.500 . 5.500 4.249 3.488 4.487 . 0 0 "[ . 1 . 2 ]" 1 4661 2 108 ARG QD 2 109 ALA H 5.500 . 5.500 4.863 4.686 5.430 . 0 0 "[ . 1 . 2 ]" 1 4662 2 105 ASP QB 2 108 ARG QD 4.500 . 4.500 3.615 3.215 4.107 . 0 0 "[ . 1 . 2 ]" 1 4663 2 108 ARG H 2 109 ALA HA 4.500 . 4.500 4.445 4.292 4.576 0.076 14 0 "[ . 1 . 2 ]" 1 4664 2 107 ALA MB 2 109 ALA HA 5.500 . 5.500 5.441 5.136 5.597 0.097 1 0 "[ . 1 . 2 ]" 1 4665 2 106 PRO HA 2 109 ALA HA 5.500 . 5.500 4.452 3.967 5.005 . 0 0 "[ . 1 . 2 ]" 1 4666 2 107 ALA HA 2 109 ALA HA 5.500 . 5.500 4.826 4.689 5.205 . 0 0 "[ . 1 . 2 ]" 1 4667 2 109 ALA HA 2 110 GLN HA 5.500 . 5.500 4.268 4.112 4.509 . 0 0 "[ . 1 . 2 ]" 1 4668 2 109 ALA MB 2 116 LYS QG 3.500 . 3.500 2.469 2.083 2.858 . 0 0 "[ . 1 . 2 ]" 1 4669 2 106 PRO QB 2 109 ALA MB 5.500 . 5.500 4.025 3.553 4.491 . 0 0 "[ . 1 . 2 ]" 1 4670 2 107 ALA MB 2 109 ALA MB 4.500 . 4.500 4.366 4.206 4.508 0.008 20 0 "[ . 1 . 2 ]" 1 4671 2 109 ALA MB 2 115 GLU QB 5.500 . 5.500 3.201 2.785 4.331 . 0 0 "[ . 1 . 2 ]" 1 4672 2 109 ALA MB 2 110 GLN QG 5.500 . 5.500 5.330 4.941 5.507 0.007 14 0 "[ . 1 . 2 ]" 1 4673 2 109 ALA MB 2 119 PHE QB . . 4.500 2.128 2.038 2.359 . 0 0 "[ . 1 . 2 ]" 1 4674 2 106 PRO HA 2 109 ALA MB 4.500 . 4.500 3.632 3.082 4.215 . 0 0 "[ . 1 . 2 ]" 1 4675 2 107 ALA HA 2 109 ALA MB 4.500 . 4.500 3.972 3.630 4.157 . 0 0 "[ . 1 . 2 ]" 1 4676 2 109 ALA MB 2 116 LYS HA 3.500 . 3.500 2.024 1.945 2.146 . 0 0 "[ . 1 . 2 ]" 1 4677 2 109 ALA MB 2 111 GLY QA 3.500 . 3.500 3.469 3.058 3.591 0.091 12 0 "[ . 1 . 2 ]" 1 4678 2 107 ALA H 2 109 ALA MB 4.500 . 4.500 3.983 3.851 4.101 . 0 0 "[ . 1 . 2 ]" 1 4679 2 110 GLN HA 2 110 GLN QG 2.800 . 2.800 2.862 2.205 3.190 0.390 2 0 "[ . 1 . 2 ]" 1 4680 2 110 GLN HA 2 110 GLN QB 2.800 . 2.800 2.383 2.342 2.428 . 0 0 "[ . 1 . 2 ]" 1 4681 2 108 ARG QB 2 110 GLN HA 5.500 . 5.500 5.604 5.419 5.892 0.392 1 0 "[ . 1 . 2 ]" 1 4682 2 109 ALA MB 2 110 GLN HA 5.500 . 5.500 4.367 4.013 4.514 . 0 0 "[ . 1 . 2 ]" 1 4683 2 110 GLN QG 2 111 GLY QA 4.500 . 4.500 4.092 3.738 4.550 0.050 11 0 "[ . 1 . 2 ]" 1 4684 2 112 THR HA 2 115 GLU H 5.500 . 5.500 4.467 4.418 4.654 . 0 0 "[ . 1 . 2 ]" 1 4685 2 112 THR HA 2 112 THR HB 2.800 . 2.800 2.421 2.357 2.481 . 0 0 "[ . 1 . 2 ]" 1 4686 2 112 THR HA 2 113 GLU HA 5.500 . 5.500 4.247 4.197 4.351 . 0 0 "[ . 1 . 2 ]" 1 4687 2 112 THR HA 2 115 GLU QB 4.500 . 4.500 4.385 4.309 4.559 0.059 12 0 "[ . 1 . 2 ]" 1 4688 2 112 THR HA 2 113 GLU QB 4.500 . 4.500 4.148 4.108 4.219 . 0 0 "[ . 1 . 2 ]" 1 4689 2 112 THR HA 2 112 THR MG 3.500 . 3.500 2.462 2.366 3.163 . 0 0 "[ . 1 . 2 ]" 1 4690 2 112 THR HB 2 114 GLU QG 5.500 . 5.500 2.874 2.564 4.206 . 0 0 "[ . 1 . 2 ]" 1 4691 2 110 GLN QG 2 112 THR HB 5.500 . 5.500 2.793 2.543 3.873 . 0 0 "[ . 1 . 2 ]" 1 4692 2 112 THR HB 2 113 GLU QB 5.500 . 5.500 3.858 3.750 4.295 . 0 0 "[ . 1 . 2 ]" 1 4693 2 112 THR MG 2 113 GLU H 5.500 . 5.500 3.868 3.784 3.939 . 0 0 "[ . 1 . 2 ]" 1 4694 2 112 THR H 2 112 THR MG 2.800 . 2.800 2.215 2.000 2.801 0.001 3 0 "[ . 1 . 2 ]" 1 4695 2 110 GLN HA 2 112 THR MG 5.500 . 5.500 5.428 4.900 5.557 0.057 1 0 "[ . 1 . 2 ]" 1 4696 2 112 THR MG 2 115 GLU HA 5.500 . 5.500 5.419 3.834 5.990 0.490 1 0 "[ . 1 . 2 ]" 1 4697 2 112 THR MG 2 113 GLU HA 5.500 . 5.500 5.608 4.982 5.781 0.281 1 0 "[ . 1 . 2 ]" 1 4698 2 112 THR MG 2 115 GLU QB 2.800 . 2.800 2.750 1.842 3.254 0.454 1 0 "[ . 1 . 2 ]" 1 4699 2 112 THR MG 2 115 GLU QB 3.500 . 3.500 3.201 2.040 3.769 0.269 1 0 "[ . 1 . 2 ]" 1 4700 2 112 THR MG 2 116 LYS QG 5.500 . 5.500 5.071 4.180 5.428 . 0 0 "[ . 1 . 2 ]" 1 4701 2 113 GLU QB 2 117 TRP H 5.500 . 5.500 4.938 4.716 5.152 . 0 0 "[ . 1 . 2 ]" 1 4702 2 112 THR HA 2 113 GLU QB 5.500 . 5.500 4.653 4.532 4.712 . 0 0 "[ . 1 . 2 ]" 1 4703 2 113 GLU HA 2 113 GLU QB 2.800 . 2.800 2.421 2.384 2.469 . 0 0 "[ . 1 . 2 ]" 1 4704 2 112 THR MG 2 113 GLU QB 5.500 . 5.500 4.707 4.208 4.932 . 0 0 "[ . 1 . 2 ]" 1 4705 2 112 THR MG 2 113 GLU QG 5.500 . 5.500 4.401 4.203 4.683 . 0 0 "[ . 1 . 2 ]" 1 4706 2 113 GLU HA 2 113 GLU QG 2.800 . 2.800 2.456 2.397 2.851 0.051 12 0 "[ . 1 . 2 ]" 1 4707 2 113 GLU QG 2 115 GLU H 5.500 . 5.500 5.603 5.573 5.848 0.348 1 0 "[ . 1 . 2 ]" 1 4708 2 114 GLU HA 2 117 TRP H 4.500 . 4.500 3.627 3.569 3.709 . 0 0 "[ . 1 . 2 ]" 1 4709 2 119 PHE H 2 119 PHE HA 2.800 . 2.800 2.779 2.736 2.804 0.004 4 0 "[ . 1 . 2 ]" 1 4710 2 114 GLU HA 2 117 TRP QB 4.500 . 4.500 3.089 2.848 3.306 . 0 0 "[ . 1 . 2 ]" 1 4711 2 114 GLU HA 2 114 GLU QG 3.500 . 3.500 3.358 3.342 3.399 . 0 0 "[ . 1 . 2 ]" 1 4712 2 114 GLU HA 2 114 GLU QB 2.800 . 2.800 2.172 2.156 2.184 . 0 0 "[ . 1 . 2 ]" 1 4713 2 114 GLU HA 2 118 ALA MB 4.500 . 4.500 3.585 3.532 3.669 . 0 0 "[ . 1 . 2 ]" 1 4714 2 114 GLU QB 2 115 GLU H . . 3.500 3.489 3.458 3.531 0.031 7 0 "[ . 1 . 2 ]" 1 4715 2 114 GLU QB 2 115 GLU QB 3.500 . 3.500 3.610 3.574 4.063 0.563 1 1 "[+ . 1 . 2 ]" 1 4716 2 114 GLU QG 2 115 GLU H 4.500 . 4.500 2.340 2.233 2.420 . 0 0 "[ . 1 . 2 ]" 1 4717 2 113 GLU QB 2 114 GLU QG 3.500 . 3.500 3.573 3.535 4.098 0.598 1 1 "[+ . 1 . 2 ]" 1 4718 2 114 GLU QG 2 118 ALA MB . . 4.500 4.545 4.526 4.624 0.124 1 0 "[ . 1 . 2 ]" 1 4719 2 112 THR MG 2 114 GLU QG 5.500 . 5.500 3.434 2.071 3.743 . 0 0 "[ . 1 . 2 ]" 1 4720 2 115 GLU H 2 115 GLU QB . . 3.500 2.338 2.283 2.383 . 0 0 "[ . 1 . 2 ]" 1 4721 2 112 THR H 2 115 GLU QG 4.500 . 4.500 3.473 3.351 3.771 . 0 0 "[ . 1 . 2 ]" 1 4722 2 115 GLU H 2 115 GLU QG 4.500 . 4.500 2.536 2.495 2.655 . 0 0 "[ . 1 . 2 ]" 1 4723 2 110 GLN H 2 116 LYS HA 5.500 . 5.500 3.476 3.331 3.560 . 0 0 "[ . 1 . 2 ]" 1 4724 2 116 LYS HA 2 119 PHE QB 4.500 . 4.500 2.984 2.834 3.121 . 0 0 "[ . 1 . 2 ]" 1 4725 2 115 GLU QB 2 116 LYS HA 4.500 . 4.500 4.106 3.958 4.156 . 0 0 "[ . 1 . 2 ]" 1 4726 2 116 LYS HA 2 116 LYS QB 2.800 . 2.800 2.437 2.351 2.515 . 0 0 "[ . 1 . 2 ]" 1 4727 2 116 LYS HA 2 116 LYS QG . . 3.500 2.472 2.109 2.664 . 0 0 "[ . 1 . 2 ]" 1 4728 2 111 GLY QA 2 116 LYS QG 4.500 . 4.500 2.589 2.150 2.903 . 0 0 "[ . 1 . 2 ]" 1 4729 2 110 GLN H 2 116 LYS QG 5.500 . 5.500 3.872 3.702 4.028 . 0 0 "[ . 1 . 2 ]" 1 4730 2 117 TRP HA 2 119 PHE H 4.500 . 4.500 3.637 3.577 3.681 . 0 0 "[ . 1 . 2 ]" 1 4731 2 117 TRP HA 2 117 TRP HD1 3.500 . 3.500 2.558 2.227 3.074 . 0 0 "[ . 1 . 2 ]" 1 4732 2 117 TRP HA 2 120 PHE QB . . 4.500 3.194 2.579 4.033 . 0 0 "[ . 1 . 2 ]" 1 4733 2 116 LYS QB 2 117 TRP HA 5.500 . 5.500 3.801 3.686 3.906 . 0 0 "[ . 1 . 2 ]" 1 4734 2 117 TRP HA 2 118 ALA MB 5.500 . 5.500 5.014 4.981 5.077 . 0 0 "[ . 1 . 2 ]" 1 4735 2 116 LYS H 2 117 TRP QB 5.500 . 5.500 4.154 3.008 4.373 . 0 0 "[ . 1 . 2 ]" 1 4736 2 76 ASP H 2 95 HIS QB 5.500 . 5.500 4.139 3.006 4.350 . 0 0 "[ . 1 . 2 ]" 1 4737 2 117 TRP QB 2 117 TRP HZ2 5.500 . 5.500 5.571 5.553 5.603 0.103 1 0 "[ . 1 . 2 ]" 1 4738 2 117 TRP QB 2 118 ALA MB . . 4.500 3.913 3.803 4.016 . 0 0 "[ . 1 . 2 ]" 1 4739 2 40 GLU QB 2 42 HIS QB 5.500 . 5.500 3.858 3.764 3.970 . 0 0 "[ . 1 . 2 ]" 1 4740 2 115 GLU QB 2 118 ALA MB 4.500 . 4.500 3.749 3.493 3.943 . 0 0 "[ . 1 . 2 ]" 1 4741 2 118 ALA MB 2 119 PHE QB 4.500 . 4.500 4.171 4.102 4.242 . 0 0 "[ . 1 . 2 ]" 1 4742 2 117 TRP QB 2 118 ALA MB 4.500 . 4.500 3.587 3.535 3.635 . 0 0 "[ . 1 . 2 ]" 1 4743 2 115 GLU HA 2 118 ALA MB 2.800 . 2.800 2.074 2.001 2.299 . 0 0 "[ . 1 . 2 ]" 1 4744 2 118 ALA MB 2 120 PHE H 4.500 . 4.500 4.514 4.449 4.553 0.053 1 0 "[ . 1 . 2 ]" 1 4745 2 117 TRP H 2 118 ALA MB 5.500 . 5.500 4.316 4.222 4.517 . 0 0 "[ . 1 . 2 ]" 1 4746 2 119 PHE HA 2 119 PHE QB 2.800 . 2.800 2.506 2.465 2.530 . 0 0 "[ . 1 . 2 ]" 1 4747 2 119 PHE HA 2 122 ARG QB 3.500 . 3.500 2.908 2.598 3.468 . 0 0 "[ . 1 . 2 ]" 1 4748 2 116 LYS H 2 119 PHE QB 5.500 . 5.500 5.063 4.933 5.137 . 0 0 "[ . 1 . 2 ]" 1 4749 2 108 ARG H 2 119 PHE QB 4.500 . 4.500 4.540 4.408 4.804 0.304 1 0 "[ . 1 . 2 ]" 1 4750 2 120 PHE HA 2 121 GLN H 5.500 . 5.500 3.581 3.510 3.614 . 0 0 "[ . 1 . 2 ]" 1 4751 2 47 ASN QD 2 120 PHE HA 4.500 . 4.500 3.457 3.024 4.466 . 0 0 "[ . 1 . 2 ]" 1 4752 2 48 ALA HA 2 120 PHE HA 5.500 . 5.500 4.585 4.429 4.737 . 0 0 "[ . 1 . 2 ]" 1 4753 2 106 PRO HA 2 120 PHE HA 5.500 . 5.500 4.005 3.788 4.281 . 0 0 "[ . 1 . 2 ]" 1 4754 2 19 MET ME 2 120 PHE HA 5.500 . 5.500 3.148 2.817 3.306 . 0 0 "[ . 1 . 2 ]" 1 4755 2 120 PHE HA 2 123 VAL HB 5.500 . 5.500 3.083 2.242 3.744 . 0 0 "[ . 1 . 2 ]" 1 4756 2 106 PRO QB 2 120 PHE HA 4.500 . 4.500 2.269 2.065 2.577 . 0 0 "[ . 1 . 2 ]" 1 4757 2 120 PHE HA 2 123 VAL QG 4.500 . 4.500 3.687 3.008 4.137 . 0 0 "[ . 1 . 2 ]" 1 4758 2 47 ASN QD 2 120 PHE QB 3.500 . 3.500 2.507 1.706 3.073 0.094 7 0 "[ . 1 . 2 ]" 1 4759 2 117 TRP HD1 2 120 PHE QB 3.500 . 3.500 3.551 2.437 4.493 0.993 7 6 "[ * -**+ 1 .* 2 ]" 1 4760 2 117 TRP QB 2 120 PHE QB 5.500 . 5.500 4.016 3.657 4.269 . 0 0 "[ . 1 . 2 ]" 1 4761 2 47 ASN QB 2 120 PHE QB . . 4.500 3.915 2.899 4.665 0.165 17 0 "[ . 1 . 2 ]" 1 4762 2 121 GLN HA 2 122 ARG QB 5.500 . 5.500 5.219 5.143 5.272 . 0 0 "[ . 1 . 2 ]" 1 4763 2 121 GLN HA 2 125 ASP QB 5.500 . 5.500 4.742 4.244 5.099 . 0 0 "[ . 1 . 2 ]" 1 4764 2 120 PHE HA 2 121 GLN HA 5.500 . 5.500 4.801 4.650 4.892 . 0 0 "[ . 1 . 2 ]" 1 4765 2 121 GLN HA 2 122 ARG HA 5.500 . 5.500 4.540 4.373 4.652 . 0 0 "[ . 1 . 2 ]" 1 4766 2 121 GLN HA 2 125 ASP H 5.500 . 5.500 4.068 3.818 4.281 . 0 0 "[ . 1 . 2 ]" 1 4767 2 120 PHE H 2 121 GLN HA 5.500 . 5.500 4.437 4.333 4.523 . 0 0 "[ . 1 . 2 ]" 1 4768 2 117 TRP HD1 2 121 GLN QB 5.500 . 5.500 2.502 2.154 2.872 . 0 0 "[ . 1 . 2 ]" 1 4769 2 106 PRO QB 2 124 ARG QB 4.500 . 4.500 4.663 4.063 4.991 0.491 5 0 "[ . 1 . 2 ]" 1 4770 2 122 ARG HA 2 125 ASP QB 2.800 . 2.800 2.353 2.181 2.618 . 0 0 "[ . 1 . 2 ]" 1 4771 2 122 ARG HA 2 122 ARG QB 2.800 . 2.800 2.370 2.321 2.408 . 0 0 "[ . 1 . 2 ]" 1 4772 2 122 ARG HA 2 122 ARG QG 2.800 . 2.800 2.585 2.325 2.868 0.068 10 0 "[ . 1 . 2 ]" 1 4773 2 122 ARG HA 2 123 VAL QG 5.500 . 5.500 4.755 4.608 4.867 . 0 0 "[ . 1 . 2 ]" 1 4774 2 122 ARG QB 2 122 ARG QD 2.800 . 2.800 2.305 2.136 2.424 . 0 0 "[ . 1 . 2 ]" 1 4775 2 120 PHE H 2 122 ARG QG 4.500 . 4.500 3.471 3.161 3.760 . 0 0 "[ . 1 . 2 ]" 1 4776 2 122 ARG QD 2 125 ASP QB 5.500 . 5.500 5.372 4.075 5.553 0.053 6 0 "[ . 1 . 2 ]" 1 4777 2 122 ARG H 2 122 ARG QD 5.500 . 5.500 4.580 4.337 4.784 . 0 0 "[ . 1 . 2 ]" 1 4778 2 122 ARG QD 2 123 VAL H 5.500 . 5.500 4.624 3.740 5.280 . 0 0 "[ . 1 . 2 ]" 1 4779 2 123 VAL HA 2 123 VAL QG 2.800 . 2.800 2.123 2.080 2.160 . 0 0 "[ . 1 . 2 ]" 1 4780 2 123 VAL HA 2 127 ILE MD 5.500 . 5.500 4.408 4.187 4.589 . 0 0 "[ . 1 . 2 ]" 1 4781 2 119 PHE H 2 123 VAL HB 5.500 . 5.500 4.886 4.681 5.130 . 0 0 "[ . 1 . 2 ]" 1 4782 2 123 VAL HB 2 126 GLU QB 5.500 . 5.500 5.275 5.035 5.511 0.011 19 0 "[ . 1 . 2 ]" 1 4783 2 106 PRO QG 2 123 VAL HB 5.500 . 5.500 2.911 2.439 3.569 . 0 0 "[ . 1 . 2 ]" 1 4784 2 123 VAL QG 2 127 ILE QG 4.500 . 4.500 2.609 2.265 3.443 . 0 0 "[ . 1 . 2 ]" 1 4785 2 108 ARG H 2 123 VAL QG 5.500 . 5.500 5.438 5.048 5.672 0.172 1 0 "[ . 1 . 2 ]" 1 4786 2 104 ASP HA 2 123 VAL QG 5.500 . 5.500 3.196 2.785 3.516 . 0 0 "[ . 1 . 2 ]" 1 4787 2 120 PHE QB 2 123 VAL QG 5.500 . 5.500 4.773 3.804 5.303 . 0 0 "[ . 1 . 2 ]" 1 4788 2 19 MET QB 2 123 VAL QG 5.500 . 5.500 3.217 2.994 3.436 . 0 0 "[ . 1 . 2 ]" 1 4789 2 123 VAL QG 2 127 ILE HB . . 4.500 3.377 2.572 3.877 . 0 0 "[ . 1 . 2 ]" 1 4790 2 122 ARG QG 2 123 VAL QG 3.500 . 3.500 3.343 3.032 3.665 0.165 1 0 "[ . 1 . 2 ]" 1 4791 2 119 PHE H 2 123 VAL QG 5.500 . 5.500 4.516 4.359 4.649 . 0 0 "[ . 1 . 2 ]" 1 4792 2 120 PHE QB 2 123 VAL QG 5.500 . 5.500 4.523 3.738 4.931 . 0 0 "[ . 1 . 2 ]" 1 4793 2 106 PRO QB 2 123 VAL QG 3.500 . 3.500 2.195 1.893 2.527 . 0 0 "[ . 1 . 2 ]" 1 4794 2 123 VAL QG 2 127 ILE MD 2.800 . 2.800 2.071 1.953 2.152 . 0 0 "[ . 1 . 2 ]" 1 4795 2 23 TRP HE1 2 125 ASP HA 5.500 . 5.500 5.224 4.584 5.547 0.047 5 0 "[ . 1 . 2 ]" 1 4796 2 125 ASP HA 2 127 ILE H 4.500 . 4.500 3.889 3.707 4.052 . 0 0 "[ . 1 . 2 ]" 1 4797 2 23 TRP HZ2 2 125 ASP HA 5.500 . 5.500 3.900 3.197 4.353 . 0 0 "[ . 1 . 2 ]" 1 4798 2 122 ARG HA 2 125 ASP HA 5.500 . 5.500 4.179 4.133 4.216 . 0 0 "[ . 1 . 2 ]" 1 4799 2 125 ASP HA 2 125 ASP QB . . 2.800 2.353 2.293 2.437 . 0 0 "[ . 1 . 2 ]" 1 4800 2 124 ARG QB 2 125 ASP HA 5.500 . 5.500 3.813 3.574 3.958 . 0 0 "[ . 1 . 2 ]" 1 4801 2 122 ARG HA 2 125 ASP QB 5.500 . 5.500 3.144 2.631 3.526 . 0 0 "[ . 1 . 2 ]" 1 4802 2 122 ARG HA 2 123 VAL H 3.500 . 3.500 3.006 2.876 3.069 . 0 0 "[ . 1 . 2 ]" 1 4803 2 121 GLN H 2 122 ARG HA 4.500 . 4.500 4.359 4.199 4.444 . 0 0 "[ . 1 . 2 ]" 1 4804 2 126 GLU HA 2 126 GLU QB 2.800 . 2.800 2.395 2.340 2.441 . 0 0 "[ . 1 . 2 ]" 1 4805 2 121 GLN QG 2 122 ARG HA 3.500 . 3.500 3.601 3.520 3.830 0.330 1 0 "[ . 1 . 2 ]" 1 4806 2 123 VAL HA 2 126 GLU QB 5.500 . 5.500 2.660 2.364 2.903 . 0 0 "[ . 1 . 2 ]" 1 4807 2 126 GLU H 2 126 GLU QG 4.500 . 4.500 4.013 3.929 4.069 . 0 0 "[ . 1 . 2 ]" 1 4808 2 123 VAL H 2 126 GLU QG 5.500 . 5.500 3.571 3.327 3.794 . 0 0 "[ . 1 . 2 ]" 1 4809 2 127 ILE HA 2 127 ILE MG 2.800 . 2.800 2.769 2.655 3.036 0.236 18 0 "[ . 1 . 2 ]" 1 4810 2 19 MET ME 2 127 ILE HB 5.500 . 5.500 3.895 3.753 4.031 . 0 0 "[ . 1 . 2 ]" 1 4811 2 23 TRP H 2 131 LEU HG 5.500 . 5.500 4.797 4.445 5.017 . 0 0 "[ . 1 . 2 ]" 1 4812 2 25 LYS H 2 127 ILE QG 5.500 . 5.500 4.161 4.020 4.250 . 0 0 "[ . 1 . 2 ]" 1 4813 2 27 TYR QD 2 131 LEU HG 5.500 . 5.500 5.192 4.845 5.523 0.023 9 0 "[ . 1 . 2 ]" 1 4814 2 23 TRP HD1 2 127 ILE QG 5.500 . 5.500 4.918 4.651 5.160 . 0 0 "[ . 1 . 2 ]" 1 4815 2 23 TRP HA 2 127 ILE QG 5.500 . 5.500 4.752 4.396 5.129 . 0 0 "[ . 1 . 2 ]" 1 4816 2 131 LEU HA 2 131 LEU HG 4.500 . 4.500 3.642 3.582 3.701 . 0 0 "[ . 1 . 2 ]" 1 4817 2 24 ALA HA 2 131 LEU HG 3.500 . 3.500 2.979 2.374 3.538 0.038 14 0 "[ . 1 . 2 ]" 1 4818 2 16 ARG HA 2 127 ILE QG 4.500 . 4.500 3.326 2.823 3.613 . 0 0 "[ . 1 . 2 ]" 1 4819 2 23 TRP QB 2 131 LEU HG 4.500 . 4.500 3.007 2.467 3.357 . 0 0 "[ . 1 . 2 ]" 1 4820 2 23 TRP QB 2 127 ILE QG 3.500 . 3.500 2.121 2.015 2.203 . 0 0 "[ . 1 . 2 ]" 1 4821 2 131 LEU QB 2 131 LEU HG 2.800 . 2.800 2.164 2.134 2.188 . 0 0 "[ . 1 . 2 ]" 1 4822 2 24 ALA MB 2 131 LEU HG 2.800 . 2.800 2.500 2.223 2.809 0.009 4 0 "[ . 1 . 2 ]" 1 4823 2 81 LEU QD 2 127 ILE QG 4.500 . 4.500 2.299 2.028 2.832 . 0 0 "[ . 1 . 2 ]" 1 4824 2 20 ALA MB 2 127 ILE QG 2.800 . 2.800 2.792 2.165 3.184 0.384 1 0 "[ . 1 . 2 ]" 1 4825 2 6 ILE MD 2 131 LEU HG 5.500 . 5.500 5.231 4.811 5.544 0.044 14 0 "[ . 1 . 2 ]" 1 4826 2 20 ALA H 2 127 ILE QG 5.500 . 5.500 4.777 3.971 5.180 . 0 0 "[ . 1 . 2 ]" 1 4827 2 127 ILE HB 2 127 ILE MD 3.500 . 3.500 2.510 2.269 2.597 . 0 0 "[ . 1 . 2 ]" 1 4828 2 81 LEU QB 2 127 ILE MD 4.500 . 4.500 3.674 2.537 4.032 . 0 0 "[ . 1 . 2 ]" 1 4829 2 19 MET ME 2 127 ILE MD 2.800 . 2.800 2.859 2.772 3.247 0.447 1 0 "[ . 1 . 2 ]" 1 4830 2 126 GLU QB 2 127 ILE MD 5.500 . 5.500 4.734 4.439 5.120 . 0 0 "[ . 1 . 2 ]" 1 4831 2 16 ARG QB 2 127 ILE MD 5.500 . 5.500 2.549 2.053 3.548 . 0 0 "[ . 1 . 2 ]" 1 4832 2 127 ILE HA 2 127 ILE MD 4.500 . 4.500 3.755 3.653 3.821 . 0 0 "[ . 1 . 2 ]" 1 4833 2 17 SER HA 2 127 ILE MD 5.500 . 5.500 4.241 3.535 4.613 . 0 0 "[ . 1 . 2 ]" 1 4834 2 106 PRO QD 2 127 ILE MD 4.500 . 4.500 3.266 2.672 3.808 . 0 0 "[ . 1 . 2 ]" 1 4835 2 82 SER HA 2 127 ILE MD 5.500 . 5.500 5.604 5.490 6.044 0.544 1 1 "[+ . 1 . 2 ]" 1 4836 2 21 GLU H 2 127 ILE MD 5.500 . 5.500 5.464 4.883 5.679 0.179 1 0 "[ . 1 . 2 ]" 1 4837 2 127 ILE MD 2 128 GLY H 5.500 . 5.500 4.913 4.626 5.080 . 0 0 "[ . 1 . 2 ]" 1 4838 2 127 ILE H 2 127 ILE MD 4.500 . 4.500 3.808 3.521 3.991 . 0 0 "[ . 1 . 2 ]" 1 4839 2 20 ALA H 2 127 ILE MD 5.500 . 5.500 3.218 2.495 3.557 . 0 0 "[ . 1 . 2 ]" 1 4840 2 16 ARG H 2 127 ILE MD 5.500 . 5.500 3.108 2.078 4.145 . 0 0 "[ . 1 . 2 ]" 1 4841 2 81 LEU QD 2 127 ILE MD 4.500 . 4.500 2.321 2.046 2.906 . 0 0 "[ . 1 . 2 ]" 1 4842 2 127 ILE QG 2 127 ILE MG 2.800 . 2.800 2.134 1.960 2.304 . 0 0 "[ . 1 . 2 ]" 1 4843 2 81 LEU QD 2 127 ILE MG 5.500 . 5.500 3.142 2.520 4.046 . 0 0 "[ . 1 . 2 ]" 1 4844 2 24 ALA MB 2 127 ILE MG 5.500 . 5.500 4.550 4.195 4.733 . 0 0 "[ . 1 . 2 ]" 1 4845 2 124 ARG QB 2 127 ILE MG 4.500 . 4.500 4.534 4.088 5.425 0.925 1 1 "[+ . 1 . 2 ]" 1 4846 2 127 ILE MG 2 128 GLY QA 3.500 . 3.500 2.859 2.781 2.996 . 0 0 "[ . 1 . 2 ]" 1 4847 2 23 TRP QB 2 127 ILE MG 3.500 . 3.500 2.385 2.268 2.543 . 0 0 "[ . 1 . 2 ]" 1 4848 2 124 ARG HA 2 127 ILE MG 5.500 . 5.500 3.414 2.776 3.992 . 0 0 "[ . 1 . 2 ]" 1 4849 2 23 TRP HD1 2 127 ILE MG 4.500 . 4.500 2.395 2.216 2.596 . 0 0 "[ . 1 . 2 ]" 1 4850 2 21 GLU H 2 127 ILE MG 5.500 . 5.500 4.515 4.358 4.614 . 0 0 "[ . 1 . 2 ]" 1 4851 2 127 ILE H 2 127 ILE MG 4.500 . 4.500 3.518 3.061 3.662 . 0 0 "[ . 1 . 2 ]" 1 4852 2 20 ALA H 2 127 ILE MG 5.500 . 5.500 3.220 2.967 3.427 . 0 0 "[ . 1 . 2 ]" 1 4853 2 23 TRP HE1 2 127 ILE MG 5.500 . 5.500 3.602 2.872 4.049 . 0 0 "[ . 1 . 2 ]" 1 4854 2 128 GLY QA 2 129 ASN H 4.500 . 4.500 2.632 2.561 2.665 . 0 0 "[ . 1 . 2 ]" 1 4855 2 26 GLN QE 2 128 GLY QA 5.500 . 5.500 4.191 3.694 4.748 . 0 0 "[ . 1 . 2 ]" 1 4856 2 24 ALA HA 2 128 GLY QA 5.500 . 5.500 5.613 5.509 6.078 0.578 1 1 "[+ . 1 . 2 ]" 1 4857 2 127 ILE MG 2 128 GLY QA 5.500 . 5.500 3.010 2.881 3.196 . 0 0 "[ . 1 . 2 ]" 1 4858 2 128 GLY H 2 129 ASN HA 5.500 . 5.500 5.389 5.327 5.489 . 0 0 "[ . 1 . 2 ]" 1 4859 2 129 ASN HA 2 132 LYS QE . . 4.500 3.819 2.440 4.513 0.013 10 0 "[ . 1 . 2 ]" 1 4860 2 129 ASN HA 2 129 ASN QB 2.800 . 2.800 2.365 2.282 2.487 . 0 0 "[ . 1 . 2 ]" 1 4861 2 128 GLY QA 2 129 ASN HA 4.500 . 4.500 3.837 3.755 3.933 . 0 0 "[ . 1 . 2 ]" 1 4862 2 129 ASN HA 2 132 LYS QB 3.500 . 3.500 2.778 2.480 3.532 0.032 6 0 "[ . 1 . 2 ]" 1 4863 2 129 ASN HA 2 131 LEU QB 4.500 . 4.500 3.417 2.429 3.721 . 0 0 "[ . 1 . 2 ]" 1 4864 2 129 ASN QB 2 130 ARG H 3.500 . 3.500 2.630 2.477 2.727 . 0 0 "[ . 1 . 2 ]" 1 4865 2 126 GLU HA 2 129 ASN QB . . 3.500 2.879 2.326 3.506 0.006 13 0 "[ . 1 . 2 ]" 1 4866 2 129 ASN QB 2 133 GLU QG 5.500 . 5.500 5.076 4.658 5.519 0.019 19 0 "[ . 1 . 2 ]" 1 4867 2 128 GLY QA 2 129 ASN QB 5.500 . 5.500 4.179 4.121 4.334 . 0 0 "[ . 1 . 2 ]" 1 4868 2 131 LEU HA 2 131 LEU QD . . 3.500 1.929 1.884 1.980 . 0 0 "[ . 1 . 2 ]" 1 4869 2 131 LEU HA 2 134 PHE QD 4.500 . 4.500 3.360 1.985 4.313 . 0 0 "[ . 1 . 2 ]" 1 4870 2 131 LEU HA 2 132 LYS H 5.500 . 5.500 3.588 3.564 3.621 . 0 0 "[ . 1 . 2 ]" 1 4871 2 131 LEU HA 2 135 ALA H 5.500 . 5.500 4.380 4.080 5.004 . 0 0 "[ . 1 . 2 ]" 1 4872 2 131 LEU QB 2 132 LYS H 5.500 . 5.500 2.872 2.619 3.032 . 0 0 "[ . 1 . 2 ]" 1 4873 2 26 GLN QE 2 131 LEU QB 5.500 . 5.500 4.575 3.375 5.535 0.035 16 0 "[ . 1 . 2 ]" 1 4874 2 27 TYR QB 2 131 LEU QB 5.500 . 5.500 3.674 3.294 4.305 . 0 0 "[ . 1 . 2 ]" 1 4875 2 27 TYR QD 2 132 LYS HA 5.500 . 5.500 3.561 2.699 4.022 . 0 0 "[ . 1 . 2 ]" 1 4876 2 129 ASN HA 2 132 LYS HA 5.500 . 5.500 5.517 5.377 5.592 0.092 6 0 "[ . 1 . 2 ]" 1 4877 2 131 LEU QB 2 132 LYS HA 2.800 . 2.800 2.793 2.514 2.877 0.077 14 0 "[ . 1 . 2 ]" 1 4878 2 132 LYS HA 2 132 LYS QG 3.500 . 3.500 2.551 2.193 3.328 . 0 0 "[ . 1 . 2 ]" 1 4879 2 132 LYS HA 2 133 GLU QB 5.500 . 5.500 4.636 4.545 4.825 . 0 0 "[ . 1 . 2 ]" 1 4880 2 129 ASN H 2 132 LYS QB 5.500 . 5.500 4.097 3.914 4.463 . 0 0 "[ . 1 . 2 ]" 1 4881 2 132 LYS QB 2 132 LYS QE . . 2.800 2.051 1.935 2.147 . 0 0 "[ . 1 . 2 ]" 1 4882 2 128 GLY QA 2 132 LYS QB 4.500 . 4.500 3.500 3.297 3.722 . 0 0 "[ . 1 . 2 ]" 1 4883 2 132 LYS QB 2 132 LYS QD 3.500 . 3.500 2.310 2.272 2.404 . 0 0 "[ . 1 . 2 ]" 1 4884 2 132 LYS QE 2 132 LYS QG . . 2.800 2.350 2.217 2.526 . 0 0 "[ . 1 . 2 ]" 1 4885 2 129 ASN QD 2 132 LYS QD 5.500 . 5.500 4.342 3.533 5.018 . 0 0 "[ . 1 . 2 ]" 1 4886 2 132 LYS HA 2 132 LYS QD 4.500 . 4.500 4.264 4.031 4.535 0.035 6 0 "[ . 1 . 2 ]" 1 4887 2 104 ASP QB 2 123 VAL QG 2.800 . 2.800 2.193 1.972 2.498 . 0 0 "[ . 1 . 2 ]" 1 4888 2 104 ASP QB 2 126 GLU QB 5.500 . 5.500 5.127 4.673 5.596 0.096 2 0 "[ . 1 . 2 ]" 1 4889 2 104 ASP QB 2 106 PRO QD 5.500 . 5.500 4.632 3.549 5.515 0.015 6 0 "[ . 1 . 2 ]" 1 4890 2 26 GLN QE 2 132 LYS QE 3.500 . 3.500 3.126 2.661 3.483 . 0 0 "[ . 1 . 2 ]" 1 4891 2 129 ASN QD 2 132 LYS QE 5.500 . 5.500 4.987 4.324 5.450 . 0 0 "[ . 1 . 2 ]" 1 4892 2 104 ASP QB 2 127 ILE QG 5.500 . 5.500 4.072 3.338 4.629 . 0 0 "[ . 1 . 2 ]" 1 4893 2 133 GLU HA 2 133 GLU QG 2.800 . 2.800 2.339 2.160 3.095 0.295 2 0 "[ . 1 . 2 ]" 1 4894 2 133 GLU HA 2 133 GLU QB 2.800 . 2.800 2.128 1.988 2.289 . 0 0 "[ . 1 . 2 ]" 1 4895 2 133 GLU HA 2 137 THR MG 4.500 . 4.500 3.055 2.844 3.642 . 0 0 "[ . 1 . 2 ]" 1 4896 2 21 GLU QB 2 62 GLN HA 4.500 . 4.500 4.578 4.509 5.418 0.918 1 1 "[+ . 1 . 2 ]" 1 4897 2 133 GLU HA 2 133 GLU QB 2.800 . 2.800 2.479 2.098 2.523 . 0 0 "[ . 1 . 2 ]" 1 4898 2 21 GLU QB 2 25 LYS H 5.500 . 5.500 4.867 4.403 5.109 . 0 0 "[ . 1 . 2 ]" 1 4899 2 21 GLU QB 2 25 LYS H 4.500 . 4.500 4.140 3.937 4.260 . 0 0 "[ . 1 . 2 ]" 1 4900 2 133 GLU QB 2 137 THR H 4.500 . 4.500 4.053 3.949 4.438 . 0 0 "[ . 1 . 2 ]" 1 4901 2 133 GLU QG 2 134 PHE H 4.500 . 4.500 4.388 2.086 4.666 0.166 19 0 "[ . 1 . 2 ]" 1 4902 2 129 ASN QD 2 133 GLU QG 3.500 . 3.500 2.631 2.130 3.164 . 0 0 "[ . 1 . 2 ]" 1 4903 2 133 GLU QG 2 134 PHE HA 5.500 . 5.500 5.467 3.294 5.784 0.284 1 0 "[ . 1 . 2 ]" 1 4904 2 133 GLU QG 2 137 THR HB 5.500 . 5.500 5.530 4.794 7.004 1.504 1 1 "[+ . 1 . 2 ]" 1 4905 2 132 LYS QD 2 133 GLU QG 5.500 . 5.500 4.905 4.416 5.556 0.056 19 0 "[ . 1 . 2 ]" 1 4906 2 133 GLU QG 2 137 THR MG 2.800 . 2.800 2.869 2.741 4.057 1.257 1 1 "[+ . 1 . 2 ]" 1 4907 2 134 PHE HA 2 134 PHE QD 3.500 . 3.500 2.550 2.205 3.187 . 0 0 "[ . 1 . 2 ]" 1 4908 2 131 LEU HA 2 134 PHE HA 5.500 . 5.500 4.990 4.540 5.440 . 0 0 "[ . 1 . 2 ]" 1 4909 2 134 PHE QB 2 135 ALA H 5.500 . 5.500 2.682 2.402 2.825 . 0 0 "[ . 1 . 2 ]" 1 4910 2 134 PHE QB 2 137 THR H 4.500 . 4.500 5.064 4.932 5.134 0.634 6 17 "[**- *+ ****** **** **]" 1 4911 2 135 ALA HA 2 136 GLU HA 5.500 . 5.500 4.758 4.723 4.796 . 0 0 "[ . 1 . 2 ]" 1 4912 2 28 LEU HA 2 135 ALA HA 5.500 . 5.500 4.099 3.649 4.354 . 0 0 "[ . 1 . 2 ]" 1 4913 2 134 PHE QD 2 135 ALA HA 5.500 . 5.500 4.772 3.518 5.866 0.366 14 0 "[ . 1 . 2 ]" 1 4914 2 29 GLY H 2 135 ALA HA 5.500 . 5.500 4.694 4.505 4.828 . 0 0 "[ . 1 . 2 ]" 1 4915 2 135 ALA H 2 136 GLU HA 5.500 . 5.500 5.339 5.238 5.431 . 0 0 "[ . 1 . 2 ]" 1 4916 2 136 GLU HA 2 137 THR HA 5.500 . 5.500 4.755 4.710 4.829 . 0 0 "[ . 1 . 2 ]" 1 4917 2 136 GLU HA 2 136 GLU QG 2.800 . 2.800 2.733 2.409 2.828 0.028 1 0 "[ . 1 . 2 ]" 1 4918 2 135 ALA MB 2 136 GLU HA 5.500 . 5.500 3.918 3.792 4.008 . 0 0 "[ . 1 . 2 ]" 1 4919 2 136 GLU HA 2 137 THR MG 4.500 . 4.500 4.566 4.439 4.813 0.313 1 0 "[ . 1 . 2 ]" 1 4920 2 107 ALA H 2 108 ARG QB 5.500 . 5.500 2.454 2.353 2.614 . 0 0 "[ . 1 . 2 ]" 1 4921 2 136 GLU QB 2 137 THR H 4.500 . 4.500 2.461 2.359 2.625 . 0 0 "[ . 1 . 2 ]" 1 4922 2 136 GLU HA 2 136 GLU QB 2.800 . 2.800 2.410 2.349 2.440 . 0 0 "[ . 1 . 2 ]" 1 4923 2 133 GLU HA 2 136 GLU QB 4.500 . 4.500 2.339 2.148 2.701 . 0 0 "[ . 1 . 2 ]" 1 4924 2 136 GLU QB 2 137 THR MG . . 3.500 2.421 2.328 2.844 . 0 0 "[ . 1 . 2 ]" 1 4925 2 136 GLU QG 2 137 THR H 5.500 . 5.500 4.026 3.880 4.199 . 0 0 "[ . 1 . 2 ]" 1 4926 2 135 ALA H 2 136 GLU QG 5.500 . 5.500 4.299 4.130 4.459 . 0 0 "[ . 1 . 2 ]" 1 4927 2 133 GLU HA 2 136 GLU QG 2.800 . 2.800 2.882 2.821 3.155 0.355 1 0 "[ . 1 . 2 ]" 1 4928 2 136 GLU QG 2 137 THR MG 4.500 . 4.500 4.086 3.946 4.478 . 0 0 "[ . 1 . 2 ]" 1 4929 2 132 LYS QG 2 136 GLU QG . . 3.500 3.049 2.642 3.523 0.023 4 0 "[ . 1 . 2 ]" 1 4930 2 137 THR HA 2 138 GLY H 5.500 . 5.500 3.503 3.433 3.549 . 0 0 "[ . 1 . 2 ]" 1 4931 2 136 GLU H 2 137 THR HA 5.500 . 5.500 5.102 5.016 5.190 . 0 0 "[ . 1 . 2 ]" 1 4932 2 137 THR HA 2 139 LYS H 5.500 . 5.500 4.482 4.039 5.071 . 0 0 "[ . 1 . 2 ]" 1 4933 2 137 THR HA 2 137 THR HB 2.800 . 2.800 2.488 2.423 2.568 . 0 0 "[ . 1 . 2 ]" 1 4934 2 133 GLU QB 2 137 THR HA 5.500 . 5.500 3.774 3.709 3.889 . 0 0 "[ . 1 . 2 ]" 1 4935 2 137 THR HA 2 139 LYS QB 5.500 . 5.500 5.345 4.575 5.900 0.400 1 0 "[ . 1 . 2 ]" 1 4936 2 137 THR HA 2 137 THR MG 2.800 . 2.800 2.412 2.359 2.541 . 0 0 "[ . 1 . 2 ]" 1 4937 2 137 THR HB 2 139 LYS QE 5.500 . 5.500 3.575 2.437 5.095 . 0 0 "[ . 1 . 2 ]" 1 4938 2 133 GLU QG 2 137 THR HB 5.500 . 5.500 4.586 4.314 5.074 . 0 0 "[ . 1 . 2 ]" 1 4939 2 133 GLU QB 2 137 THR HB 5.500 . 5.500 4.244 4.176 4.783 . 0 0 "[ . 1 . 2 ]" 1 4940 2 137 THR HB 2 139 LYS QB 4.500 . 4.500 3.737 2.840 4.231 . 0 0 "[ . 1 . 2 ]" 1 4941 2 137 THR HB 2 139 LYS QB 5.500 . 5.500 4.247 2.869 5.348 . 0 0 "[ . 1 . 2 ]" 1 4942 2 133 GLU QB 2 137 THR MG 2.800 . 2.800 2.220 2.054 2.655 . 0 0 "[ . 1 . 2 ]" 1 4943 2 133 GLU QG 2 137 THR MG 2.800 . 2.800 2.810 2.704 3.770 0.970 1 1 "[+ . 1 . 2 ]" 1 4944 2 137 THR MG 2 138 GLY QA 5.500 . 5.500 5.236 5.150 5.314 . 0 0 "[ . 1 . 2 ]" 1 4945 2 133 GLU H 2 137 THR MG 5.500 . 5.500 5.189 5.025 5.739 0.239 1 0 "[ . 1 . 2 ]" 1 4946 2 137 THR MG 2 139 LYS H 5.500 . 5.500 4.370 3.844 5.060 . 0 0 "[ . 1 . 2 ]" 1 4947 2 138 GLY QA 2 139 LYS QG 5.500 . 5.500 5.558 5.137 5.726 0.226 1 0 "[ . 1 . 2 ]" 1 4948 2 134 PHE QD 2 139 LYS HA 4.500 . 4.500 4.280 3.402 4.643 0.143 3 0 "[ . 1 . 2 ]" 1 4949 2 138 GLY QA 2 139 LYS HA 5.500 . 5.500 4.334 4.131 4.537 . 0 0 "[ . 1 . 2 ]" 1 4950 2 139 LYS HA 2 139 LYS QB 2.800 . 2.800 2.422 2.236 2.565 . 0 0 "[ . 1 . 2 ]" 1 4951 2 101 TRP HE1 2 139 LYS HA 2.800 . 2.800 2.542 2.097 2.898 0.098 17 0 "[ . 1 . 2 ]" 1 4952 2 139 LYS H 2 139 LYS QD 5.500 . 5.500 4.118 2.352 4.915 . 0 0 "[ . 1 . 2 ]" 1 4953 2 139 LYS HA 2 139 LYS QD 4.500 . 4.500 3.114 2.064 4.027 . 0 0 "[ . 1 . 2 ]" 1 4954 2 137 THR HB 2 139 LYS QD 4.500 . 4.500 4.471 3.901 5.240 0.740 1 1 "[+ . 1 . 2 ]" 1 4955 2 134 PHE HA 2 139 LYS QE 4.500 . 4.500 3.851 2.375 4.576 0.076 5 0 "[ . 1 . 2 ]" 1 4956 2 84 ASP QB 2 85 ALA HA 5.500 . 5.500 4.108 2.048 4.581 . 0 0 "[ . 1 . 2 ]" 1 4957 2 97 LYS QE 2 139 LYS QB 2.800 . 2.800 3.102 2.281 3.229 0.429 17 0 "[ . 1 . 2 ]" 1 4958 2 97 LYS QE 2 139 LYS QG 2.800 . 2.800 2.753 2.347 2.907 0.107 10 0 "[ . 1 . 2 ]" 1 4959 2 39 ILE MG 2 88 LYS QE 4.500 . 4.500 4.328 3.962 4.569 0.069 8 0 "[ . 1 . 2 ]" 1 4960 2 39 ILE QG 2 88 LYS QE 5.500 . 5.500 2.013 1.850 2.247 . 0 0 "[ . 1 . 2 ]" 1 4961 2 66 ILE HB 2 88 LYS QE 5.500 . 5.500 5.100 4.469 5.585 0.085 10 0 "[ . 1 . 2 ]" 1 4962 2 66 ILE HB 2 88 LYS QE 5.500 . 5.500 4.650 4.191 5.311 . 0 0 "[ . 1 . 2 ]" 1 4963 2 39 ILE HB 2 88 LYS QE 4.500 . 4.500 3.274 2.767 4.103 . 0 0 "[ . 1 . 2 ]" 1 4964 2 40 GLU HA 2 88 LYS QE 5.500 . 5.500 5.270 4.835 5.581 0.081 20 0 "[ . 1 . 2 ]" 1 4965 2 67 ILE MD 2 88 LYS QD 2.800 . 2.800 2.763 2.500 2.858 0.058 12 0 "[ . 1 . 2 ]" 1 4966 2 39 ILE MD 2 88 LYS QD 4.500 . 4.500 3.897 3.611 4.354 . 0 0 "[ . 1 . 2 ]" 1 4967 2 39 ILE QG 2 88 LYS QD 4.500 . 4.500 3.928 3.026 4.187 . 0 0 "[ . 1 . 2 ]" 1 4968 1 72 ILE H 2 89 CYS H 5.500 . 5.500 5.071 3.250 5.547 0.047 4 0 "[ . 1 . 2 ]" 1 4969 1 61 GLN QE 2 91 MET ME 3.500 . 3.500 3.120 2.509 3.254 . 0 0 "[ . 1 . 2 ]" 1 4970 1 71 SER H 2 91 MET ME 2.800 . 2.800 2.763 2.324 3.093 0.293 1 0 "[ . 1 . 2 ]" 1 4971 1 65 GLY H 2 91 MET ME 2.800 . 2.800 2.900 2.866 3.189 0.389 1 0 "[ . 1 . 2 ]" 1 4972 1 70 MET H 2 91 MET ME . . 3.500 2.755 1.879 3.651 0.151 1 0 "[ . 1 . 2 ]" 1 4973 1 71 SER HA 2 91 MET H 3.500 . 3.500 2.954 2.457 3.452 . 0 0 "[ . 1 . 2 ]" 1 4974 1 70 MET HA 2 92 THR H 4.500 . 4.500 3.796 3.332 4.270 . 0 0 "[ . 1 . 2 ]" 1 4975 1 71 SER QB 2 67 ILE MD 3.500 . 3.500 2.205 1.918 3.423 . 0 0 "[ . 1 . 2 ]" 1 4976 1 72 ILE MD 2 91 MET HA 5.500 . 5.500 3.943 3.286 5.260 . 0 0 "[ . 1 . 2 ]" 1 4977 1 71 SER HA 2 91 MET QG 3.500 . 3.500 3.456 3.105 3.601 0.101 1 0 "[ . 1 . 2 ]" 1 4978 1 72 ILE MD 2 91 MET QG 3.500 . 3.500 2.226 1.964 2.384 . 0 0 "[ . 1 . 2 ]" 1 4979 1 69 VAL QG 2 91 MET ME . . 2.800 2.166 1.889 2.361 . 0 0 "[ . 1 . 2 ]" 1 4980 1 72 ILE MD 2 91 MET ME 3.500 . 3.500 3.447 3.063 3.776 0.276 1 0 "[ . 1 . 2 ]" 1 4981 1 57 VAL QG 2 91 MET ME 2.800 . 2.800 2.109 1.872 2.417 . 0 0 "[ . 1 . 2 ]" 1 4982 1 64 ALA MB 2 91 MET ME 2.800 . 2.800 1.874 1.829 1.952 . 0 0 "[ . 1 . 2 ]" 1 4983 1 64 ALA HA 2 91 MET ME 5.500 . 5.500 3.895 3.634 4.080 . 0 0 "[ . 1 . 2 ]" 1 4984 1 57 VAL HA 2 91 MET ME 5.500 . 5.500 4.019 3.682 4.609 . 0 0 "[ . 1 . 2 ]" 1 4985 1 71 SER HA 2 90 PRO HA 4.500 . 4.500 2.109 1.918 2.324 . 0 0 "[ . 1 . 2 ]" 1 4986 1 58 ASP HA 2 94 PRO QD 4.500 . 4.500 5.197 5.109 5.635 1.135 1 21 [+***************-****] 1 4987 1 28 TRP HA 2 89 CYS QB 2.800 . 2.800 3.939 3.842 4.136 1.336 1 21 [+***-****************] 1 4988 1 61 GLN QG 2 94 PRO QD 3.500 . 3.500 2.230 1.984 2.585 . 0 0 "[ . 1 . 2 ]" 1 4989 1 64 ALA MB 2 91 MET QG 5.500 . 5.500 3.831 3.694 3.990 . 0 0 "[ . 1 . 2 ]" 1 4990 1 69 VAL HA 2 91 MET ME 4.500 . 4.500 4.405 4.095 4.639 0.139 12 0 "[ . 1 . 2 ]" 1 4991 1 70 MET ME 2 73 ASN HA 5.500 . 5.500 5.501 5.045 6.174 0.674 1 1 "[+ . 1 . 2 ]" 1 4992 1 71 SER HA 2 92 THR H 5.500 . 5.500 5.134 4.706 5.519 0.019 1 0 "[ . 1 . 2 ]" 1 4993 1 71 SER HA 2 91 MET ME 4.500 . 4.500 4.464 4.260 4.984 0.484 1 0 "[ . 1 . 2 ]" 1 4994 1 71 SER HA 2 67 ILE MD . . 3.500 3.574 3.505 3.731 0.231 1 0 "[ . 1 . 2 ]" 1 4995 1 72 ILE MD 2 89 CYS QB 5.500 . 5.500 4.187 3.319 5.524 0.024 10 0 "[ . 1 . 2 ]" 1 4996 1 72 ILE MG 2 89 CYS QB 5.500 . 5.500 4.066 3.326 5.007 . 0 0 "[ . 1 . 2 ]" 1 4997 1 72 ILE MG 2 91 MET QG 4.500 . 4.500 4.517 4.290 4.998 0.498 1 0 "[ . 1 . 2 ]" 1 4998 1 71 SER QB 2 39 ILE MD 5.500 . 5.500 5.530 5.400 5.939 0.439 1 0 "[ . 1 . 2 ]" 1 4999 1 70 MET ME 2 92 THR H 4.500 . 4.500 3.887 2.182 4.651 0.151 19 0 "[ . 1 . 2 ]" 1 5000 1 70 MET ME 2 67 ILE QG 5.500 . 5.500 3.195 2.287 5.199 . 0 0 "[ . 1 . 2 ]" 1 5001 1 70 MET ME 2 67 ILE MD 4.500 . 4.500 2.394 2.044 3.690 . 0 0 "[ . 1 . 2 ]" 1 5002 1 71 SER QB 2 90 PRO QB 4.500 . 4.500 4.009 3.511 4.571 0.071 15 0 "[ . 1 . 2 ]" 1 5003 1 71 SER QB 2 90 PRO HA 4.500 . 4.500 3.594 3.169 4.146 . 0 0 "[ . 1 . 2 ]" 1 5004 1 71 SER QB 2 91 MET H 5.500 . 5.500 4.623 4.314 4.967 . 0 0 "[ . 1 . 2 ]" 1 5005 1 71 SER HA 2 90 PRO QB 4.500 . 4.500 3.542 3.062 3.775 . 0 0 "[ . 1 . 2 ]" 1 5006 1 72 ILE HA 2 91 MET H 5.500 . 5.500 6.020 5.908 6.730 1.230 1 9 "[+****** *1 - . 2 ]" 1 5007 1 88 VAL QG 2 88 LYS QE 2.800 . 2.800 2.461 1.945 2.809 0.009 2 0 "[ . 1 . 2 ]" 1 5008 1 88 VAL QG 2 88 LYS QD 3.500 . 3.500 2.176 1.937 2.974 . 0 0 "[ . 1 . 2 ]" 1 5009 1 26 ALA MB 2 91 MET QG 5.500 . 5.500 4.020 3.540 4.388 . 0 0 "[ . 1 . 2 ]" 1 5010 1 72 ILE QG 2 91 MET ME 5.500 . 5.500 4.675 3.372 5.437 . 0 0 "[ . 1 . 2 ]" 1 5011 1 24 PHE QD 2 91 MET ME 3.500 . 3.500 3.567 3.528 3.784 0.284 1 0 "[ . 1 . 2 ]" 1 5012 1 69 VAL QG 2 91 MET QG 5.500 . 5.500 3.599 3.193 3.901 . 0 0 "[ . 1 . 2 ]" 1 5013 1 69 VAL H 2 67 ILE MD 5.500 . 5.500 5.896 5.761 7.318 1.818 1 1 "[+ . 1 . 2 ]" 1 5014 1 70 MET ME 2 67 ILE MG 4.500 . 4.500 3.532 2.783 4.518 0.018 2 0 "[ . 1 . 2 ]" 1 5015 1 70 MET ME 2 78 VAL QG 5.500 . 5.500 3.837 2.702 4.525 . 0 0 "[ . 1 . 2 ]" 1 5016 1 57 VAL QG 2 91 MET HA 5.500 . 5.500 4.382 3.921 4.826 . 0 0 "[ . 1 . 2 ]" 1 5017 1 70 MET ME 2 92 THR MG 5.500 . 5.500 3.580 1.954 4.501 . 0 0 "[ . 1 . 2 ]" 1 5018 1 69 VAL H 2 93 PRO QG 4.500 . 4.500 4.556 4.282 5.583 1.083 1 1 "[+ . 1 . 2 ]" 1 5019 1 69 VAL H 2 93 PRO QB 4.500 . 4.500 4.666 4.557 5.897 1.397 1 1 "[+ . 1 . 2 ]" 1 5020 1 61 GLN QE 2 93 PRO QB 5.500 . 5.500 3.575 2.030 3.933 . 0 0 "[ . 1 . 2 ]" 1 5021 1 88 VAL HB 2 88 LYS QE 4.500 . 4.500 4.020 2.856 4.622 0.122 20 0 "[ . 1 . 2 ]" 1 5022 1 89 GLY QA 2 88 LYS QE 5.500 . 5.500 4.756 4.267 5.148 . 0 0 "[ . 1 . 2 ]" 1 5023 1 61 GLN QE 2 94 PRO QD 5.500 . 5.500 2.744 2.512 2.986 . 0 0 "[ . 1 . 2 ]" 1 5024 1 68 GLY QA 2 73 ASN QB 4.500 . 4.500 4.324 3.600 4.593 0.093 19 0 "[ . 1 . 2 ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 140 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 34.228 _Distance_constraint_stats_list.Viol_max 0.744 _Distance_constraint_stats_list.Viol_rms 0.0157 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0006 _Distance_constraint_stats_list.Viol_average_violations_only 0.1811 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 24 PHE 0.041 0.041 1 0 "[ . 1 . 2 ]" 1 25 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 73 PRO 0.744 0.744 1 1 "[+ . 1 . 2 ]" 1 74 THR 0.041 0.041 1 0 "[ . 1 . 2 ]" 1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 VAL 0.074 0.070 1 0 "[ . 1 . 2 ]" 1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 GLU 0.074 0.070 1 0 "[ . 1 . 2 ]" 1 87 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 89 GLY 0.744 0.744 1 1 "[+ . 1 . 2 ]" 1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 101 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 5 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 6 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 7 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 8 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 17 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 18 GLN 0.019 0.019 1 0 "[ . 1 . 2 ]" 2 19 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 22 GLY 0.019 0.019 1 0 "[ . 1 . 2 ]" 2 23 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 25 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 32 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 33 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 35 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 38 GLY 0.478 0.301 1 0 "[ . 1 . 2 ]" 2 45 ASN 0.275 0.165 1 0 "[ . 1 . 2 ]" 2 46 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 47 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 49 VAL 0.275 0.165 1 0 "[ . 1 . 2 ]" 2 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 52 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 53 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 54 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 67 ILE 0.478 0.301 1 0 "[ . 1 . 2 ]" 2 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 76 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 77 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 80 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 97 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 101 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 116 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 117 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 118 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 119 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 120 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 121 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 122 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 123 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 124 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 125 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 126 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 127 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 128 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 129 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 130 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 132 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 77 VAL H 1 85 GLU O 1.900 . 2.500 1.859 1.809 1.949 . 0 0 "[ . 1 . 2 ]" 2 2 1 77 VAL N 1 85 GLU O 2.800 2.400 3.400 2.841 2.796 2.908 . 0 0 "[ . 1 . 2 ]" 2 3 1 75 LEU O 1 87 SER H 1.900 . 2.500 2.015 1.928 2.133 . 0 0 "[ . 1 . 2 ]" 2 4 1 75 LEU O 1 87 SER N 2.800 2.400 3.400 2.970 2.880 3.109 . 0 0 "[ . 1 . 2 ]" 2 5 1 75 LEU H 1 87 SER O 1.900 . 2.500 1.867 1.806 1.931 . 0 0 "[ . 1 . 2 ]" 2 6 1 75 LEU N 1 87 SER O 2.800 2.400 3.400 2.844 2.814 2.886 . 0 0 "[ . 1 . 2 ]" 2 7 1 73 PRO O 1 89 GLY H 1.900 . 2.500 2.305 1.925 3.244 0.744 1 1 "[+ . 1 . 2 ]" 2 8 1 73 PRO O 1 89 GLY N 2.800 2.400 3.400 2.969 2.845 3.288 . 0 0 "[ . 1 . 2 ]" 2 9 1 77 VAL O 1 85 GLU H 1.900 . 2.500 2.288 2.147 2.505 0.005 1 0 "[ . 1 . 2 ]" 2 10 1 77 VAL O 1 85 GLU N 2.800 2.400 3.400 3.264 3.129 3.470 0.070 1 0 "[ . 1 . 2 ]" 2 11 1 20 VAL H 1 78 LEU O 1.900 . 2.500 1.889 1.831 2.086 . 0 0 "[ . 1 . 2 ]" 2 12 1 20 VAL N 1 78 LEU O 2.800 2.400 3.400 2.900 2.847 3.072 . 0 0 "[ . 1 . 2 ]" 2 13 1 20 VAL O 1 78 LEU H 1.900 . 2.500 1.878 1.807 2.029 . 0 0 "[ . 1 . 2 ]" 2 14 1 20 VAL O 1 78 LEU N 2.800 2.400 3.400 2.873 2.811 2.981 . 0 0 "[ . 1 . 2 ]" 2 15 1 22 ALA H 1 76 LEU O 1.900 . 2.500 1.933 1.860 2.039 . 0 0 "[ . 1 . 2 ]" 2 16 1 22 ALA N 1 76 LEU O 2.800 2.400 3.400 2.872 2.753 2.961 . 0 0 "[ . 1 . 2 ]" 2 17 1 22 ALA O 1 76 LEU H 1.900 . 2.500 1.947 1.888 2.022 . 0 0 "[ . 1 . 2 ]" 2 18 1 22 ALA O 1 76 LEU N 2.800 2.400 3.400 2.931 2.883 3.005 . 0 0 "[ . 1 . 2 ]" 2 19 1 24 PHE O 1 74 THR H 1.900 . 2.500 2.337 2.312 2.491 . 0 0 "[ . 1 . 2 ]" 2 20 1 24 PHE O 1 74 THR N 2.800 2.400 3.400 3.303 3.253 3.441 0.041 1 0 "[ . 1 . 2 ]" 2 21 1 21 LEU H 1 51 LYS O 1.900 . 2.500 1.936 1.878 1.982 . 0 0 "[ . 1 . 2 ]" 2 22 1 21 LEU N 1 51 LYS O 2.800 2.400 3.400 2.930 2.878 2.979 . 0 0 "[ . 1 . 2 ]" 2 23 1 21 LEU O 1 53 VAL H 1.900 . 2.500 2.048 1.942 2.306 . 0 0 "[ . 1 . 2 ]" 2 24 1 21 LEU O 1 53 VAL N 2.800 2.400 3.400 2.975 2.842 3.248 . 0 0 "[ . 1 . 2 ]" 2 25 1 23 ASP H 1 53 VAL O 1.900 . 2.500 1.953 1.855 2.040 . 0 0 "[ . 1 . 2 ]" 2 26 1 23 ASP N 1 53 VAL O 2.800 2.400 3.400 2.890 2.813 2.992 . 0 0 "[ . 1 . 2 ]" 2 27 1 23 ASP O 1 55 ILE H 1.900 . 2.500 1.999 1.923 2.090 . 0 0 "[ . 1 . 2 ]" 2 28 1 23 ASP O 1 55 ILE N 2.800 2.400 3.400 2.833 2.775 2.937 . 0 0 "[ . 1 . 2 ]" 2 29 1 25 TRP H 1 55 ILE O 1.900 . 2.500 2.131 2.036 2.319 . 0 0 "[ . 1 . 2 ]" 2 30 1 25 TRP N 1 55 ILE O 2.800 2.400 3.400 3.136 3.028 3.331 . 0 0 "[ . 1 . 2 ]" 2 31 1 4 VAL H 1 52 ILE O 1.900 . 2.500 1.869 1.833 1.914 . 0 0 "[ . 1 . 2 ]" 2 32 1 4 VAL N 1 52 ILE O 2.800 2.400 3.400 2.865 2.829 2.910 . 0 0 "[ . 1 . 2 ]" 2 33 1 4 VAL O 1 54 LYS H 1.900 . 2.500 1.871 1.797 2.125 . 0 0 "[ . 1 . 2 ]" 2 34 1 4 VAL O 1 54 LYS N 2.800 2.400 3.400 2.831 2.797 2.962 . 0 0 "[ . 1 . 2 ]" 2 35 1 93 LYS O 1 97 GLN H 1.900 . 2.500 1.964 1.882 2.308 . 0 0 "[ . 1 . 2 ]" 2 36 1 93 LYS O 1 97 GLN N 2.800 2.400 3.400 2.955 2.873 3.273 . 0 0 "[ . 1 . 2 ]" 2 37 1 95 ALA O 1 99 LEU H 1.900 . 2.500 1.960 1.892 2.019 . 0 0 "[ . 1 . 2 ]" 2 38 1 95 ALA O 1 99 LEU N 2.800 2.400 3.400 2.922 2.858 2.997 . 0 0 "[ . 1 . 2 ]" 2 39 1 96 LEU O 1 100 VAL H 1.900 . 2.500 2.322 2.176 2.391 . 0 0 "[ . 1 . 2 ]" 2 40 1 96 LEU O 1 100 VAL N 2.800 2.400 3.400 3.275 3.142 3.324 . 0 0 "[ . 1 . 2 ]" 2 41 1 97 GLN O 1 101 ASN H 1.900 . 2.500 1.852 1.782 1.913 . 0 0 "[ . 1 . 2 ]" 2 42 1 97 GLN O 1 101 ASN N 2.800 2.400 3.400 2.815 2.752 2.873 . 0 0 "[ . 1 . 2 ]" 2 43 1 35 ILE O 1 39 LEU H 1.900 . 2.500 1.939 1.904 1.982 . 0 0 "[ . 1 . 2 ]" 2 44 1 35 ILE O 1 39 LEU N 2.800 2.400 3.400 2.848 2.805 2.889 . 0 0 "[ . 1 . 2 ]" 2 45 1 36 ALA O 1 40 GLU H 1.900 . 2.500 2.250 2.164 2.317 . 0 0 "[ . 1 . 2 ]" 2 46 1 36 ALA O 1 40 GLU N 2.800 2.400 3.400 3.218 3.122 3.289 . 0 0 "[ . 1 . 2 ]" 2 47 1 37 PRO O 1 41 GLU H 1.900 . 2.500 1.868 1.810 1.911 . 0 0 "[ . 1 . 2 ]" 2 48 1 37 PRO O 1 41 GLU N 2.800 2.400 3.400 2.844 2.801 2.890 . 0 0 "[ . 1 . 2 ]" 2 49 1 38 VAL O 1 42 LEU H 1.900 . 2.500 2.196 1.888 2.319 . 0 0 "[ . 1 . 2 ]" 2 50 1 38 VAL O 1 42 LEU N 2.800 2.400 3.400 2.903 2.808 3.042 . 0 0 "[ . 1 . 2 ]" 2 51 1 39 LEU O 1 43 ASP H 1.900 . 2.500 1.894 1.824 1.997 . 0 0 "[ . 1 . 2 ]" 2 52 1 39 LEU O 1 43 ASP N 2.800 2.400 3.400 2.868 2.791 2.943 . 0 0 "[ . 1 . 2 ]" 2 53 1 40 GLU O 1 44 GLN H 1.900 . 2.500 2.152 2.007 2.313 . 0 0 "[ . 1 . 2 ]" 2 54 1 40 GLU O 1 44 GLN N 2.800 2.400 3.400 3.131 2.979 3.291 . 0 0 "[ . 1 . 2 ]" 2 55 1 42 LEU O 1 46 MET H 1.900 . 2.500 1.890 1.796 1.968 . 0 0 "[ . 1 . 2 ]" 2 56 1 42 LEU O 1 46 MET N 2.800 2.400 3.400 2.899 2.803 2.963 . 0 0 "[ . 1 . 2 ]" 2 57 2 6 ILE H 2 33 LYS O 1.900 . 2.500 2.136 1.943 2.302 . 0 0 "[ . 1 . 2 ]" 2 58 2 6 ILE N 2 33 LYS O 2.800 2.400 3.400 3.038 2.907 3.183 . 0 0 "[ . 1 . 2 ]" 2 59 2 7 TYR H 2 77 LEU O 1.900 . 2.500 2.015 1.915 2.148 . 0 0 "[ . 1 . 2 ]" 2 60 2 7 TYR N 2 77 LEU O 2.800 2.400 3.400 2.977 2.872 3.121 . 0 0 "[ . 1 . 2 ]" 2 61 2 8 PHE H 2 35 TYR O 1.900 . 2.500 2.054 1.917 2.305 . 0 0 "[ . 1 . 2 ]" 2 62 2 8 PHE N 2 35 TYR O 2.800 2.400 3.400 2.940 2.842 3.081 . 0 0 "[ . 1 . 2 ]" 2 63 2 9 LEU H 2 79 VAL O 1.900 . 2.500 2.110 1.877 2.304 . 0 0 "[ . 1 . 2 ]" 2 64 2 9 LEU N 2 79 VAL O 2.800 2.400 3.400 3.038 2.830 3.213 . 0 0 "[ . 1 . 2 ]" 2 65 2 15 ALA O 2 19 MET H 1.900 . 2.500 2.089 1.961 2.312 . 0 0 "[ . 1 . 2 ]" 2 66 2 15 ALA O 2 19 MET N 2.800 2.400 3.400 3.077 2.959 3.290 . 0 0 "[ . 1 . 2 ]" 2 67 2 16 ARG O 2 20 ALA H 1.900 . 2.500 1.950 1.799 2.239 . 0 0 "[ . 1 . 2 ]" 2 68 2 16 ARG O 2 20 ALA N 2.800 2.400 3.400 2.919 2.768 3.224 . 0 0 "[ . 1 . 2 ]" 2 69 2 17 SER O 2 21 GLU H 1.900 . 2.500 1.904 1.791 2.320 . 0 0 "[ . 1 . 2 ]" 2 70 2 17 SER O 2 21 GLU N 2.800 2.400 3.400 2.871 2.787 3.264 . 0 0 "[ . 1 . 2 ]" 2 71 2 18 GLN O 2 22 GLY H 1.900 . 2.500 2.295 2.118 2.519 0.019 1 0 "[ . 1 . 2 ]" 2 72 2 18 GLN O 2 22 GLY N 2.800 2.400 3.400 3.230 3.022 3.393 . 0 0 "[ . 1 . 2 ]" 2 73 2 19 MET O 2 23 TRP H 1.900 . 2.500 1.879 1.801 1.978 . 0 0 "[ . 1 . 2 ]" 2 74 2 19 MET O 2 23 TRP N 2.800 2.400 3.400 2.886 2.812 2.982 . 0 0 "[ . 1 . 2 ]" 2 75 2 20 ALA O 2 24 ALA H 1.900 . 2.500 1.846 1.798 1.902 . 0 0 "[ . 1 . 2 ]" 2 76 2 20 ALA O 2 24 ALA N 2.800 2.400 3.400 2.772 2.717 2.829 . 0 0 "[ . 1 . 2 ]" 2 77 2 21 GLU O 2 25 LYS H 1.900 . 2.500 2.207 1.898 2.335 . 0 0 "[ . 1 . 2 ]" 2 78 2 21 GLU O 2 25 LYS N 2.800 2.400 3.400 3.183 2.905 3.298 . 0 0 "[ . 1 . 2 ]" 2 79 2 29 GLY O 2 32 TRP H 1.900 . 2.500 1.924 1.825 2.306 . 0 0 "[ . 1 . 2 ]" 2 80 2 29 GLY O 2 32 TRP N 2.800 2.400 3.400 2.902 2.816 3.234 . 0 0 "[ . 1 . 2 ]" 2 81 2 4 LYS O 2 33 LYS H 1.900 . 2.500 1.953 1.840 2.162 . 0 0 "[ . 1 . 2 ]" 2 82 2 4 LYS O 2 33 LYS N 2.800 2.400 3.400 2.836 2.755 2.944 . 0 0 "[ . 1 . 2 ]" 2 83 2 6 ILE O 2 35 TYR H 1.900 . 2.500 2.255 1.918 2.330 . 0 0 "[ . 1 . 2 ]" 2 84 2 6 ILE O 2 35 TYR N 2.800 2.400 3.400 3.132 2.934 3.245 . 0 0 "[ . 1 . 2 ]" 2 85 2 8 PHE O 2 37 ALA H 1.900 . 2.500 2.106 1.960 2.304 . 0 0 "[ . 1 . 2 ]" 2 86 2 8 PHE O 2 37 ALA N 2.800 2.400 3.400 3.014 2.875 3.184 . 0 0 "[ . 1 . 2 ]" 2 87 2 45 ASN O 2 49 VAL H 1.900 . 2.500 2.355 2.323 2.609 0.109 1 0 "[ . 1 . 2 ]" 2 88 2 45 ASN O 2 49 VAL N 2.800 2.400 3.400 3.316 3.268 3.565 0.165 1 0 "[ . 1 . 2 ]" 2 89 2 46 PRO O 2 50 LYS H 1.900 . 2.500 1.877 1.804 2.047 . 0 0 "[ . 1 . 2 ]" 2 90 2 46 PRO O 2 50 LYS N 2.800 2.400 3.400 2.882 2.811 3.041 . 0 0 "[ . 1 . 2 ]" 2 91 2 47 ASN O 2 51 ALA H 1.900 . 2.500 1.870 1.749 2.301 . 0 0 "[ . 1 . 2 ]" 2 92 2 47 ASN O 2 51 ALA N 2.800 2.400 3.400 2.842 2.732 3.195 . 0 0 "[ . 1 . 2 ]" 2 93 2 48 ALA O 2 52 MET H 1.900 . 2.500 2.262 2.001 2.331 . 0 0 "[ . 1 . 2 ]" 2 94 2 48 ALA O 2 52 MET N 2.800 2.400 3.400 3.088 2.950 3.193 . 0 0 "[ . 1 . 2 ]" 2 95 2 49 VAL O 2 53 LYS H 1.900 . 2.500 1.981 1.837 2.155 . 0 0 "[ . 1 . 2 ]" 2 96 2 49 VAL O 2 53 LYS N 2.800 2.400 3.400 2.953 2.833 3.085 . 0 0 "[ . 1 . 2 ]" 2 97 2 50 LYS O 2 54 GLU H 1.900 . 2.500 2.087 1.907 2.303 . 0 0 "[ . 1 . 2 ]" 2 98 2 50 LYS O 2 54 GLU N 2.800 2.400 3.400 2.980 2.864 3.152 . 0 0 "[ . 1 . 2 ]" 2 99 2 38 GLY O 2 67 ILE H 1.900 . 2.500 2.338 2.277 2.801 0.301 1 0 "[ . 1 . 2 ]" 2 100 2 38 GLY O 2 67 ILE N 2.800 2.400 3.400 3.142 3.077 3.577 0.177 1 0 "[ . 1 . 2 ]" 2 101 2 72 LEU O 2 75 ALA H 1.900 . 2.500 2.162 1.944 2.319 . 0 0 "[ . 1 . 2 ]" 2 102 2 72 LEU O 2 75 ALA N 2.800 2.400 3.400 3.038 2.901 3.173 . 0 0 "[ . 1 . 2 ]" 2 103 2 5 ILE O 2 76 ASP H 1.900 . 2.500 1.827 1.794 1.887 . 0 0 "[ . 1 . 2 ]" 2 104 2 5 ILE O 2 76 ASP N 2.800 2.400 3.400 2.828 2.798 2.891 . 0 0 "[ . 1 . 2 ]" 2 105 2 78 VAL H 2 97 LYS O 1.900 . 2.500 1.940 1.857 2.036 . 0 0 "[ . 1 . 2 ]" 2 106 2 78 VAL N 2 97 LYS O 2.800 2.400 3.400 2.881 2.842 2.945 . 0 0 "[ . 1 . 2 ]" 2 107 2 7 TYR O 2 79 VAL H 1.900 . 2.500 1.845 1.803 1.952 . 0 0 "[ . 1 . 2 ]" 2 108 2 7 TYR O 2 79 VAL N 2.800 2.400 3.400 2.841 2.804 2.933 . 0 0 "[ . 1 . 2 ]" 2 109 2 80 THR H 2 99 GLU O 1.900 . 2.500 2.021 1.843 2.185 . 0 0 "[ . 1 . 2 ]" 2 110 2 80 THR N 2 99 GLU O 2.800 2.400 3.400 2.988 2.835 3.126 . 0 0 "[ . 1 . 2 ]" 2 111 2 9 LEU O 2 81 LEU H 1.900 . 2.500 2.007 1.805 2.346 . 0 0 "[ . 1 . 2 ]" 2 112 2 9 LEU O 2 81 LEU N 2.800 2.400 3.400 2.990 2.813 3.322 . 0 0 "[ . 1 . 2 ]" 2 113 2 80 THR O 2 101 TRP H 1.900 . 2.500 1.974 1.802 2.323 . 0 0 "[ . 1 . 2 ]" 2 114 2 80 THR O 2 101 TRP N 2.800 2.400 3.400 2.959 2.811 3.262 . 0 0 "[ . 1 . 2 ]" 2 115 2 116 LYS O 2 120 PHE H 1.900 . 2.500 2.013 1.868 2.156 . 0 0 "[ . 1 . 2 ]" 2 116 2 116 LYS O 2 120 PHE N 2.800 2.400 3.400 3.021 2.857 3.163 . 0 0 "[ . 1 . 2 ]" 2 117 2 117 TRP O 2 121 GLN H 1.900 . 2.500 1.797 1.777 1.828 . 0 0 "[ . 1 . 2 ]" 2 118 2 117 TRP O 2 121 GLN N 2.800 2.400 3.400 2.790 2.736 2.840 . 0 0 "[ . 1 . 2 ]" 2 119 2 118 ALA O 2 122 ARG H 1.900 . 2.500 2.030 1.895 2.213 . 0 0 "[ . 1 . 2 ]" 2 120 2 118 ALA O 2 122 ARG N 2.800 2.400 3.400 3.024 2.874 3.198 . 0 0 "[ . 1 . 2 ]" 2 121 2 119 PHE O 2 123 VAL H 1.900 . 2.500 2.022 1.863 2.300 . 0 0 "[ . 1 . 2 ]" 2 122 2 119 PHE O 2 123 VAL N 2.800 2.400 3.400 3.030 2.878 3.303 . 0 0 "[ . 1 . 2 ]" 2 123 2 120 PHE O 2 124 ARG H 1.900 . 2.500 1.873 1.783 1.963 . 0 0 "[ . 1 . 2 ]" 2 124 2 120 PHE O 2 124 ARG N 2.800 2.400 3.400 2.854 2.743 2.961 . 0 0 "[ . 1 . 2 ]" 2 125 2 121 GLN O 2 125 ASP H 1.900 . 2.500 2.121 1.902 2.322 . 0 0 "[ . 1 . 2 ]" 2 126 2 121 GLN O 2 125 ASP N 2.800 2.400 3.400 3.107 2.893 3.308 . 0 0 "[ . 1 . 2 ]" 2 127 2 122 ARG O 2 126 GLU H 1.900 . 2.500 2.230 1.938 2.324 . 0 0 "[ . 1 . 2 ]" 2 128 2 122 ARG O 2 126 GLU N 2.800 2.400 3.400 3.214 2.920 3.311 . 0 0 "[ . 1 . 2 ]" 2 129 2 123 VAL O 2 127 ILE H 1.900 . 2.500 1.813 1.779 1.873 . 0 0 "[ . 1 . 2 ]" 2 130 2 123 VAL O 2 127 ILE N 2.800 2.400 3.400 2.818 2.767 2.882 . 0 0 "[ . 1 . 2 ]" 2 131 2 124 ARG O 2 128 GLY H 1.900 . 2.500 1.944 1.868 2.217 . 0 0 "[ . 1 . 2 ]" 2 132 2 124 ARG O 2 128 GLY N 2.800 2.400 3.400 2.939 2.845 3.187 . 0 0 "[ . 1 . 2 ]" 2 133 2 125 ASP O 2 129 ASN H 1.900 . 2.500 2.134 1.968 2.308 . 0 0 "[ . 1 . 2 ]" 2 134 2 125 ASP O 2 129 ASN N 2.800 2.400 3.400 3.119 2.962 3.290 . 0 0 "[ . 1 . 2 ]" 2 135 2 126 GLU O 2 130 ARG H 1.900 . 2.500 1.960 1.808 2.119 . 0 0 "[ . 1 . 2 ]" 2 136 2 126 GLU O 2 130 ARG N 2.800 2.400 3.400 2.954 2.797 3.125 . 0 0 "[ . 1 . 2 ]" 2 137 2 127 ILE O 2 131 LEU H 1.900 . 2.500 1.920 1.789 2.030 . 0 0 "[ . 1 . 2 ]" 2 138 2 127 ILE O 2 131 LEU N 2.800 2.400 3.400 2.911 2.791 2.988 . 0 0 "[ . 1 . 2 ]" 2 139 2 128 GLY O 2 132 LYS H 1.900 . 2.500 1.915 1.823 2.068 . 0 0 "[ . 1 . 2 ]" 2 140 2 128 GLY O 2 132 LYS N 2.800 2.400 3.400 2.891 2.800 3.032 . 0 0 "[ . 1 . 2 ]" 2 stop_ save_
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