NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
413100 | 2c34 | 6794 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2c34 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 2109 _Distance_constraint_stats_list.Viol_count 9559 _Distance_constraint_stats_list.Viol_total 42221.406 _Distance_constraint_stats_list.Viol_max 0.999 _Distance_constraint_stats_list.Viol_rms 0.0549 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0139 _Distance_constraint_stats_list.Viol_average_violations_only 0.1162 _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 4 MET 2.710 0.233 31 0 "[ . 1 . 2 . 3 . ]" 1 5 ILE 0.649 0.068 38 0 "[ . 1 . 2 . 3 . ]" 1 6 ALA 2.479 0.233 31 0 "[ . 1 . 2 . 3 . ]" 1 7 PRO 4.029 0.215 11 0 "[ . 1 . 2 . 3 . ]" 1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 10 VAL 2.727 0.223 14 0 "[ . 1 . 2 . 3 . ]" 1 11 LYS 11.108 0.420 38 0 "[ . 1 . 2 . 3 . ]" 1 12 ASP 33.946 0.999 7 3 "[ . + 1 . -2 * . 3 . ]" 1 13 ASN 40.752 0.999 7 3 "[ . + 1 . *2 * . 3 . ]" 1 14 ASP 16.455 0.292 20 0 "[ . 1 . 2 . 3 . ]" 1 15 LYS 19.067 0.467 23 0 "[ . 1 . 2 . 3 . ]" 1 16 TRP 33.479 0.672 22 7 "[ . * 1 . -* +* . * 3 * . ]" 1 17 VAL 40.339 0.411 19 0 "[ . 1 . 2 . 3 . ]" 1 18 ASP 16.929 0.411 19 0 "[ . 1 . 2 . 3 . ]" 1 19 THR 16.994 0.274 38 0 "[ . 1 . 2 . 3 . ]" 1 20 HIS 19.375 0.790 22 10 "[ * . * ** *- 2 + * **3 . ]" 1 21 VAL 18.801 0.222 33 0 "[ . 1 . 2 . 3 . ]" 1 22 GLY 15.812 0.260 23 0 "[ . 1 . 2 . 3 . ]" 1 23 LYS 39.535 0.790 22 11 "[ * . * ** ** 2 + * **3 . - ]" 1 24 THR 21.240 0.346 37 0 "[ . 1 . 2 . 3 . ]" 1 25 THR 20.568 0.467 23 0 "[ . 1 . 2 . 3 . ]" 1 26 GLU 40.492 0.379 28 0 "[ . 1 . 2 . 3 . ]" 1 27 ILE 48.570 0.405 28 0 "[ . 1 . 2 . 3 . ]" 1 28 HIS 49.258 0.538 33 3 "[ . 1 . -2 * . 3 + . ]" 1 29 LEU 40.866 0.538 33 3 "[ . 1 . -2 * . 3 + . ]" 1 30 LYS 11.887 0.307 23 0 "[ . 1 . 2 . 3 . ]" 1 31 GLY 9.949 0.372 32 0 "[ . 1 . 2 . 3 . ]" 1 32 ASN 1.818 0.171 32 0 "[ . 1 . 2 . 3 . ]" 1 33 PRO 20.891 0.663 29 2 "[ . 1 . 2 . +3 - . ]" 1 34 THR 9.544 0.663 29 1 "[ . 1 . 2 . +3 . ]" 1 35 THR 12.073 0.409 28 0 "[ . 1 . 2 . 3 . ]" 1 36 GLY 2.199 0.113 29 0 "[ . 1 . 2 . 3 . ]" 1 37 TYR 16.310 0.674 7 5 "[ * . + 1 * - 2 . 3 *. ]" 1 38 MET 30.810 0.916 6 8 "[ .+ * 1 . ** 2 - . *3* . * ]" 1 39 TRP 30.226 0.372 32 0 "[ . 1 . 2 . 3 . ]" 1 40 THR 43.379 0.428 36 0 "[ . 1 . 2 . 3 . ]" 1 41 ARG 35.810 0.470 34 0 "[ . 1 . 2 . 3 . ]" 1 42 VAL 10.414 0.278 26 0 "[ . 1 . 2 . 3 . ]" 1 43 GLY 0.327 0.163 24 0 "[ . 1 . 2 . 3 . ]" 1 44 PHE 26.304 0.368 35 0 "[ . 1 . 2 . 3 . ]" 1 45 VAL 40.245 0.310 7 0 "[ . 1 . 2 . 3 . ]" 1 46 GLY 0.020 0.010 21 0 "[ . 1 . 2 . 3 . ]" 1 47 LYS 15.651 0.532 37 1 "[ . 1 . 2 . 3 . + ]" 1 48 ASP 10.438 0.320 36 0 "[ . 1 . 2 . 3 . ]" 1 49 VAL 16.687 0.532 37 1 "[ . 1 . 2 . 3 . + ]" 1 50 LEU 41.624 0.679 9 6 "[ *. +1* . 2 * .* 3 -. ]" 1 51 SER 23.082 0.425 31 0 "[ . 1 . 2 . 3 . ]" 1 52 ASP 13.132 0.425 31 0 "[ . 1 . 2 . 3 . ]" 1 53 GLU 27.121 0.415 27 0 "[ . 1 . 2 . 3 . ]" 1 54 ILE 31.846 0.659 7 3 "[ . + 1 - 2 . * 3 . ]" 1 55 LEU 30.513 0.679 9 9 "[ *. * +1* - 2 * .** 3 *. ]" 1 56 GLU 25.457 0.798 31 5 "[ . 1 . 2 *. * -3+* . ]" 1 57 VAL 28.830 0.560 32 5 "[ . 1 . 2 *. * -3*+ . ]" 1 58 VAL 35.390 0.363 29 0 "[ . 1 . 2 . 3 . ]" 1 59 CYS 30.991 0.743 29 3 "[ . 1 . - 2* . +3 . ]" 1 60 LYS 23.016 0.393 9 0 "[ . 1 . 2 . 3 . ]" 1 61 TYR 52.367 0.564 32 1 "[ . 1 . 2 . 3 + . ]" 1 62 THR 16.741 0.595 3 1 "[ + . 1 . 2 . 3 . ]" 1 63 PRO 29.018 0.550 26 2 "[ . 1 . 2 - .+ 3 . ]" 1 64 THR 33.686 0.901 18 3 "[ . 1 . + 2 - .* 3 . ]" 1 65 PRO 21.430 0.901 18 3 "[ . 1 . + 2 - .* 3 . ]" 1 66 SER 3.299 0.353 11 0 "[ . 1 . 2 . 3 . ]" 1 67 SER 1.525 0.353 11 0 "[ . 1 . 2 . 3 . ]" 1 68 THR 8.176 0.431 14 0 "[ . 1 . 2 . 3 . ]" 1 69 PRO 19.945 0.431 14 0 "[ . 1 . 2 . 3 . ]" 1 70 MET 17.131 0.383 6 0 "[ . 1 . 2 . 3 . ]" 1 71 VAL 9.926 0.448 8 0 "[ . 1 . 2 . 3 . ]" 1 72 GLY 1.407 0.169 28 0 "[ . 1 . 2 . 3 . ]" 1 73 VAL 11.744 0.380 8 0 "[ . 1 . 2 . 3 . ]" 1 74 GLY 19.793 0.456 11 0 "[ . 1 . 2 . 3 . ]" 1 75 GLY 19.711 0.435 3 0 "[ . 1 . 2 . 3 . ]" 1 76 ILE 65.798 0.595 3 2 "[ + . 1 . 2 . - . ]" 1 77 TYR 19.999 0.510 30 1 "[ . 1 . 2 . + . ]" 1 78 VAL 17.560 0.377 16 0 "[ . 1 . 2 . 3 . ]" 1 79 VAL 31.183 0.743 29 3 "[ . 1 . - 2* . +3 . ]" 1 80 LEU 52.932 0.925 20 2 "[ . - 1 . + . 3 . ]" 1 81 VAL 24.678 0.405 28 0 "[ . 1 . 2 . 3 . ]" 1 82 LYS 33.212 0.807 32 5 "[ . 1 . 2 *. * -3*+ . ]" 1 83 PRO 15.236 0.798 31 5 "[ . 1 . 2 *. * *3+- . ]" 1 84 ARG 22.677 0.560 32 4 "[ . 1 . 2 . * -3*+ . ]" 1 85 LYS 27.494 0.823 22 3 "[ . * 1 . 2 + . - 3 . ]" 1 86 ARG 26.029 0.790 22 12 "[ *- . * ** ** 2 + * **3 . *]" 1 87 GLY 15.728 0.561 38 2 "[ - . 1 . 2 . 3 . +]" 1 88 HIS 10.398 0.346 37 0 "[ . 1 . 2 . 3 . ]" 1 89 HIS 6.468 0.346 37 0 "[ . 1 . 2 . 3 . ]" 1 90 THR 16.497 0.470 34 0 "[ . 1 . 2 . 3 . ]" 1 91 LEU 36.475 0.917 26 2 "[ . 1 .- 2 .+ 3 . ]" 1 92 GLU 8.167 0.917 26 2 "[ . 1 .- 2 .+ 3 . ]" 1 93 LEU 41.116 0.679 9 6 "[ *. +1* . 2 * .* 3 -. ]" 1 94 VAL 4.990 0.195 22 0 "[ . 1 . 2 . 3 . ]" 1 95 TYR 3.621 0.183 28 0 "[ . 1 . 2 . 3 . ]" 1 96 THR 20.060 0.273 25 0 "[ . 1 . 2 . 3 . ]" 1 97 ARG 5.782 0.674 7 5 "[ * . + 1 * - 2 . 3 *. ]" 1 98 PRO 34.727 0.916 6 12 "[ * .+** 1 * *- 2 * . *3* *. * ]" 1 99 PHE 21.630 0.450 16 0 "[ . 1 . 2 . 3 . ]" 1 100 GLU 9.737 0.674 7 5 "[ * . + 1 * - 2 . 3 *. ]" 1 101 GLY 12.219 0.302 20 0 "[ . 1 . 2 . 3 . ]" 1 102 ILE 51.758 0.720 33 2 "[ . 1 . - . 3 + . ]" 1 103 LYS 57.801 0.980 19 20 "[ * *.** ** *** *+* * . * 3-***** ]" 1 104 PRO 34.820 0.460 28 0 "[ . 1 . 2 . 3 . ]" 1 105 GLU 42.256 0.980 19 15 "[ *.*- ** *** *+2 * . * 3* *.* ]" 1 106 ASN 21.074 0.630 35 14 "[ * *.* ** * *** * . * 3-* + ]" 1 107 GLU 21.948 0.355 33 0 "[ . 1 . 2 . 3 . ]" 1 108 ARG 32.922 0.737 23 4 "[ . * 1 . *2 + . 3 - . ]" 1 109 TYR 36.576 0.999 7 4 "[ . + 1 . *2 * . 3 - . ]" 1 110 THR 3.172 0.347 23 0 "[ . 1 . 2 . 3 . ]" 1 111 LEU 28.851 0.467 23 0 "[ . 1 . 2 . 3 . ]" 1 112 HIS 26.447 0.672 22 4 "[ . * 1 . - + . * 3 . ]" 1 113 LEU 20.978 0.470 34 0 "[ . 1 . 2 . 3 . ]" 1 114 ASN 11.709 0.325 38 0 "[ . 1 . 2 . 3 . ]" 1 115 VAL 27.430 0.267 17 0 "[ . 1 . 2 . 3 . ]" 1 116 LYS 27.915 0.790 22 10 "[ * . * ** *- 2 + * **3 . ]" 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 4 MET H 1 4 MET HB3 2.700 . 3.600 3.257 1.696 3.530 0.104 22 0 "[ . 1 . 2 . 3 . ]" 1 2 1 4 MET H 1 4 MET QG 3.100 . 4.300 2.518 1.879 3.018 0.021 24 0 "[ . 1 . 2 . 3 . ]" 1 3 1 4 MET HA 1 4 MET QB 2.600 . 3.400 2.361 2.176 2.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1 4 1 4 MET HA 1 4 MET QG 3.200 . 4.500 2.393 2.216 2.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1 5 1 4 MET HA 1 6 ALA H 2.700 . 3.600 2.792 2.253 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 6 1 4 MET QB 1 5 ILE H 2.900 . 4.000 2.397 1.792 3.329 0.008 29 0 "[ . 1 . 2 . 3 . ]" 1 7 1 4 MET HB2 1 6 ALA H 2.700 . 3.600 3.311 2.261 3.833 0.233 31 0 "[ . 1 . 2 . 3 . ]" 1 8 1 4 MET HB3 1 6 ALA H 2.800 . 3.800 2.805 2.333 3.941 0.141 24 0 "[ . 1 . 2 . 3 . ]" 1 9 1 5 ILE H 1 5 ILE MD 3.300 . 4.700 3.140 1.898 3.617 0.002 27 0 "[ . 1 . 2 . 3 . ]" 1 10 1 5 ILE MD 1 5 ILE HG13 3.800 . 5.600 2.119 2.118 2.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1 11 1 5 ILE HG13 1 7 PRO HD3 2.600 . 3.400 2.068 1.732 2.613 0.068 38 0 "[ . 1 . 2 . 3 . ]" 1 12 1 7 PRO HA 1 7 PRO HB2 2.200 . 2.800 2.539 2.397 2.656 . 0 0 "[ . 1 . 2 . 3 . ]" 1 13 1 7 PRO HA 1 7 PRO HB3 2.300 . 2.800 2.043 2.024 2.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1 14 1 7 PRO HA 1 7 PRO HB3 2.200 . 2.800 1.911 1.892 1.928 . 0 0 "[ . 1 . 2 . 3 . ]" 1 15 1 7 PRO HA 1 7 PRO HD2 3.200 . 4.500 2.941 2.930 2.955 . 0 0 "[ . 1 . 2 . 3 . ]" 1 16 1 7 PRO HA 1 7 PRO QG 2.300 . 3.000 2.861 2.681 3.076 0.076 30 0 "[ . 1 . 2 . 3 . ]" 1 17 1 7 PRO HA 1 10 VAL QG 2.600 . 3.400 2.745 1.793 3.563 0.163 24 0 "[ . 1 . 2 . 3 . ]" 1 18 1 7 PRO HA 1 10 VAL QG 3.000 . 4.100 3.039 2.709 3.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1 19 1 7 PRO HA 1 11 LYS QD 3.200 . 4.500 4.151 3.186 4.524 0.024 4 0 "[ . 1 . 2 . 3 . ]" 1 20 1 7 PRO HB3 1 7 PRO HD3 2.600 . 3.400 3.123 2.631 3.615 0.215 11 0 "[ . 1 . 2 . 3 . ]" 1 21 1 7 PRO HD2 1 7 PRO QG 2.000 . 2.500 2.013 1.988 2.033 . 0 0 "[ . 1 . 2 . 3 . ]" 1 22 1 7 PRO HD3 1 7 PRO QG 1.900 . 2.400 1.900 1.871 1.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 23 1 9 SER HA 1 9 SER QB 2.300 . 3.000 2.325 2.191 2.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 24 1 9 SER HA 1 10 VAL H 3.000 . 4.100 3.124 2.177 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1 25 1 9 SER HA 1 10 VAL QG 3.000 . 4.100 2.203 2.101 2.359 . 0 0 "[ . 1 . 2 . 3 . ]" 1 26 1 10 VAL H 1 10 VAL QG 2.700 . 3.600 1.781 1.613 2.041 0.187 21 0 "[ . 1 . 2 . 3 . ]" 1 27 1 10 VAL H 1 11 LYS H 3.500 . 5.000 4.123 1.990 4.633 0.010 27 0 "[ . 1 . 2 . 3 . ]" 1 28 1 10 VAL HA 1 10 VAL HB 2.700 . 3.600 2.712 2.387 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1 29 1 10 VAL HA 1 10 VAL QG 2.900 . 4.000 2.215 2.116 2.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 30 1 10 VAL HA 1 10 VAL QG 2.800 . 3.800 1.950 1.875 2.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1 31 1 10 VAL HA 1 11 LYS H 2.400 . 3.100 2.384 2.136 3.323 0.223 14 0 "[ . 1 . 2 . 3 . ]" 1 32 1 10 VAL HB 1 11 LYS H 2.600 . 3.400 2.070 1.764 2.425 0.036 18 0 "[ . 1 . 2 . 3 . ]" 1 33 1 10 VAL QG 1 11 LYS H 3.000 . 4.100 2.870 2.011 3.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1 34 1 11 LYS H 1 11 LYS HA 2.800 . 3.800 2.880 2.776 2.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1 35 1 11 LYS H 1 11 LYS QB 2.800 . 3.400 2.828 2.265 3.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1 36 1 11 LYS H 1 11 LYS QG 3.100 . 4.300 3.391 1.992 4.328 0.028 28 0 "[ . 1 . 2 . 3 . ]" 1 37 1 11 LYS H 1 12 ASP H 2.900 . 4.000 3.478 1.861 4.239 0.239 27 0 "[ . 1 . 2 . 3 . ]" 1 38 1 11 LYS H 1 12 ASP HA 3.100 . 4.300 4.380 4.085 4.494 0.194 31 0 "[ . 1 . 2 . 3 . ]" 1 39 1 11 LYS HA 1 11 LYS QB 2.600 . 3.400 2.319 2.141 2.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1 40 1 11 LYS HA 1 12 ASP H 2.400 . 3.100 2.522 2.127 3.520 0.420 38 0 "[ . 1 . 2 . 3 . ]" 1 41 1 11 LYS QB 1 11 LYS QG 2.200 . 2.800 2.003 1.967 2.078 . 0 0 "[ . 1 . 2 . 3 . ]" 1 42 1 11 LYS QB 1 12 ASP H 3.000 . 4.000 3.429 1.797 3.771 0.103 5 0 "[ . 1 . 2 . 3 . ]" 1 43 1 11 LYS QB 1 12 ASP HB2 3.200 . 4.500 4.060 3.263 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1 44 1 11 LYS QB 1 14 ASP H 3.600 . 5.200 3.485 2.924 4.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1 45 1 11 LYS QB 1 14 ASP H 3.500 . 5.000 3.522 2.928 4.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1 46 1 11 LYS QB 1 109 TYR QD 3.200 . 4.500 3.400 3.001 4.059 . 0 0 "[ . 1 . 2 . 3 . ]" 1 47 1 11 LYS QB 1 109 TYR QE 3.000 . 4.100 4.069 3.622 4.407 0.307 23 0 "[ . 1 . 2 . 3 . ]" 1 48 1 11 LYS QB 1 107 GLU HG3 3.500 . 4.000 3.754 3.152 4.161 0.161 28 0 "[ . 1 . 2 . 3 . ]" 1 49 1 11 LYS QD 1 11 LYS QE 1.900 . 2.400 1.817 1.782 1.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1 50 1 11 LYS QD 1 12 ASP H 3.000 . 4.100 3.425 2.247 4.312 0.212 14 0 "[ . 1 . 2 . 3 . ]" 1 51 1 11 LYS QD 1 29 LEU QD 3.700 . 5.400 3.215 3.022 3.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1 52 1 11 LYS HE3 1 109 TYR QD 3.300 . 4.700 3.833 3.418 4.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1 53 1 12 ASP H 1 12 ASP HA 2.800 . 3.800 2.746 2.264 2.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1 54 1 12 ASP H 1 12 ASP HB2 2.500 . 3.300 2.668 2.385 3.184 . 0 0 "[ . 1 . 2 . 3 . ]" 1 55 1 12 ASP H 1 12 ASP HB3 2.400 . 3.100 2.962 2.533 3.582 0.482 17 0 "[ . 1 . 2 . 3 . ]" 1 56 1 12 ASP HA 1 12 ASP HB3 2.600 . 3.400 2.879 2.361 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1 57 1 12 ASP HA 1 13 ASN H 2.300 . 3.000 2.116 2.081 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1 58 1 12 ASP HB3 1 13 ASN H 3.000 . 4.100 4.029 3.233 4.438 0.338 38 0 "[ . 1 . 2 . 3 . ]" 1 59 1 12 ASP HB3 1 13 ASN HB3 2.400 . 3.100 3.369 3.096 4.099 0.999 7 3 "[ . + 1 . -2 * . 3 . ]" 1 60 1 12 ASP HB3 1 29 LEU QD 3.000 . 4.100 3.804 2.794 4.031 . 0 0 "[ . 1 . 2 . 3 . ]" 1 61 1 12 ASP HB3 1 109 TYR QE 3.000 . 4.100 4.222 3.866 4.377 0.277 21 0 "[ . 1 . 2 . 3 . ]" 1 62 1 13 ASN H 1 13 ASN HB2 2.600 . 3.400 3.498 2.408 3.667 0.267 35 0 "[ . 1 . 2 . 3 . ]" 1 63 1 13 ASN H 1 13 ASN HB3 2.600 . 3.400 3.413 3.025 3.632 0.232 32 0 "[ . 1 . 2 . 3 . ]" 1 64 1 13 ASN H 1 13 ASN QD 3.100 . 4.300 3.433 2.215 4.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1 65 1 13 ASN H 1 14 ASP H 2.300 . 3.000 2.804 1.839 3.133 0.133 23 0 "[ . 1 . 2 . 3 . ]" 1 66 1 13 ASN HA 1 14 ASP H 2.500 . 3.300 3.465 3.378 3.537 0.237 28 0 "[ . 1 . 2 . 3 . ]" 1 67 1 13 ASN HA 1 109 TYR QD 2.500 . 3.300 2.376 1.748 3.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1 68 1 13 ASN HA 1 110 THR MG 3.500 . 5.000 4.254 3.456 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1 69 1 13 ASN HB2 1 13 ASN QD 2.500 . 3.300 2.283 2.106 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1 70 1 13 ASN HB2 1 14 ASP H 3.300 . 4.700 2.267 1.904 3.823 . 0 0 "[ . 1 . 2 . 3 . ]" 1 71 1 13 ASN HB2 1 14 ASP H 3.200 . 4.500 2.077 1.873 3.177 0.027 15 0 "[ . 1 . 2 . 3 . ]" 1 72 1 13 ASN HB2 1 108 ARG QG 2.100 . 2.700 2.892 2.762 3.437 0.737 23 3 "[ . - 1 . *2 + . 3 . ]" 1 73 1 13 ASN HB2 1 109 TYR HB2 2.900 . 4.000 3.730 3.491 4.055 0.055 20 0 "[ . 1 . 2 . 3 . ]" 1 74 1 13 ASN HB2 1 109 TYR QD 3.300 . 4.700 3.855 3.443 4.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1 75 1 13 ASN HB3 1 13 ASN QD 2.700 . 3.600 2.975 2.175 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1 76 1 13 ASN HB3 1 14 ASP H 3.300 . 4.700 3.454 3.262 4.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1 77 1 13 ASN HB3 1 14 ASP H 3.300 . 4.700 3.264 2.598 3.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1 78 1 13 ASN HB3 1 109 TYR QD 3.200 . 4.500 3.321 2.245 4.728 0.228 19 0 "[ . 1 . 2 . 3 . ]" 1 79 1 13 ASN QD 1 108 ARG HE 2.800 . 3.800 3.650 2.928 3.899 0.099 31 0 "[ . 1 . 2 . 3 . ]" 1 80 1 14 ASP H 1 14 ASP HA 2.900 . 4.000 2.723 2.583 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 81 1 14 ASP H 1 14 ASP QB 2.400 . 3.100 2.654 2.379 2.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1 82 1 14 ASP H 1 14 ASP QB 2.600 . 3.300 2.505 2.046 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1 83 1 14 ASP H 1 15 LYS H 2.900 . 4.000 4.182 3.509 4.292 0.292 20 0 "[ . 1 . 2 . 3 . ]" 1 84 1 14 ASP H 1 109 TYR QD 3.300 . 4.700 4.198 3.746 4.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1 85 1 14 ASP HA 1 15 LYS H 2.500 . 3.300 2.286 2.092 3.374 0.074 7 0 "[ . 1 . 2 . 3 . ]" 1 86 1 14 ASP HA 1 110 THR H 2.700 . 3.600 2.401 1.882 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1 87 1 14 ASP QB 1 15 LYS H 3.000 . 3.600 3.354 1.731 3.650 0.169 33 0 "[ . 1 . 2 . 3 . ]" 1 88 1 14 ASP QB 1 15 LYS HA 3.100 . 4.300 2.930 2.613 2.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1 89 1 14 ASP QB 1 16 TRP HE1 3.600 . 5.200 2.787 1.942 5.113 0.058 20 0 "[ . 1 . 2 . 3 . ]" 1 90 1 14 ASP QB 1 110 THR H 3.100 . 4.300 3.377 2.136 4.457 0.157 37 0 "[ . 1 . 2 . 3 . ]" 1 91 1 14 ASP QB 1 112 HIS HD2 3.400 . 4.700 3.374 2.284 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1 92 1 15 LYS H 1 15 LYS HA 2.900 . 4.000 2.462 2.117 2.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1 93 1 15 LYS H 1 15 LYS QB 2.100 . 2.700 2.402 2.184 2.942 0.242 31 0 "[ . 1 . 2 . 3 . ]" 1 94 1 15 LYS H 1 15 LYS QG 2.900 . 4.000 3.558 1.956 4.074 0.074 19 0 "[ . 1 . 2 . 3 . ]" 1 95 1 15 LYS H 1 110 THR HB 3.300 . 4.700 4.244 2.921 4.843 0.143 33 0 "[ . 1 . 2 . 3 . ]" 1 96 1 15 LYS H 1 112 HIS HD2 3.100 . 4.300 4.071 2.841 4.487 0.187 9 0 "[ . 1 . 2 . 3 . ]" 1 97 1 15 LYS HA 1 15 LYS QB 2.500 . 3.300 2.322 2.173 2.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1 98 1 15 LYS HA 1 15 LYS QB 2.500 . 3.300 2.114 1.908 2.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 99 1 15 LYS HA 1 15 LYS QG 3.100 . 4.300 2.751 2.085 3.442 . 0 0 "[ . 1 . 2 . 3 . ]" 1 100 1 15 LYS HA 1 16 TRP H 2.400 . 3.100 2.287 2.127 2.714 . 0 0 "[ . 1 . 2 . 3 . ]" 1 101 1 15 LYS HA 1 16 TRP HD1 3.400 . 4.800 3.575 2.447 4.823 0.023 31 0 "[ . 1 . 2 . 3 . ]" 1 102 1 15 LYS QB 1 17 VAL QG 2.300 . 3.000 2.292 1.849 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1 103 1 15 LYS QB 1 27 ILE HA 3.500 . 5.000 4.983 4.489 5.104 0.104 15 0 "[ . 1 . 2 . 3 . ]" 1 104 1 15 LYS QB 1 27 ILE HG13 2.800 . 3.800 3.555 2.925 3.850 0.050 31 0 "[ . 1 . 2 . 3 . ]" 1 105 1 15 LYS QB 1 59 CYS H 3.100 . 4.300 3.623 3.011 4.476 0.176 7 0 "[ . 1 . 2 . 3 . ]" 1 106 1 15 LYS QB 1 16 TRP H 2.500 . 3.300 3.036 1.689 3.258 0.011 23 0 "[ . 1 . 2 . 3 . ]" 1 107 1 15 LYS QB 1 15 LYS QG 2.300 . 3.000 2.047 1.997 2.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1 108 1 15 LYS QB 1 17 VAL QG 2.700 . 3.600 2.268 1.774 3.686 0.086 31 0 "[ . 1 . 2 . 3 . ]" 1 109 1 15 LYS QB 1 21 VAL QG 2.200 . 2.800 1.879 1.668 2.245 . 0 0 "[ . 1 . 2 . 3 . ]" 1 110 1 15 LYS QB 1 109 TYR HB2 3.400 . 4.800 3.895 3.532 4.083 . 0 0 "[ . 1 . 2 . 3 . ]" 1 111 1 15 LYS QD 1 15 LYS QG 2.000 . 2.500 2.053 2.006 2.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1 112 1 15 LYS QE 1 15 LYS QG 2.800 . 3.800 2.294 2.134 2.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1 113 1 15 LYS QE 1 17 VAL H 3.400 . 4.800 4.813 4.460 4.926 0.126 25 0 "[ . 1 . 2 . 3 . ]" 1 114 1 15 LYS QE 1 17 VAL QG 3.100 . 4.300 2.098 1.767 3.212 0.133 18 0 "[ . 1 . 2 . 3 . ]" 1 115 1 15 LYS QE 1 27 ILE MG 3.400 . 4.800 4.236 3.669 4.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1 116 1 15 LYS QG 1 16 TRP H 3.200 . 4.500 3.646 1.915 4.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1 117 1 15 LYS QG 1 17 VAL MG1 2.800 . 3.800 2.214 1.830 3.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1 118 1 15 LYS QG 1 25 THR MG 2.800 . 3.800 3.852 3.490 4.267 0.467 23 0 "[ . 1 . 2 . 3 . ]" 1 119 1 15 LYS QG 1 109 TYR QD 3.100 . 4.300 3.755 2.817 4.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1 120 1 15 LYS QG 1 109 TYR QE 2.600 . 3.400 2.880 1.759 3.326 0.041 23 0 "[ . 1 . 2 . 3 . ]" 1 121 1 16 TRP H 1 16 TRP HA 3.000 . 4.100 2.866 2.727 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1 122 1 16 TRP H 1 16 TRP HB2 2.200 . 2.800 2.697 2.493 2.866 0.066 11 0 "[ . 1 . 2 . 3 . ]" 1 123 1 16 TRP H 1 16 TRP HB3 2.800 . 3.800 3.576 3.464 3.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1 124 1 16 TRP H 1 16 TRP HB3 2.300 . 3.000 3.400 3.311 3.538 0.538 33 3 "[ . 1 . -2 * . 3 + . ]" 1 125 1 16 TRP H 1 16 TRP HD1 3.000 . 4.100 2.265 1.814 4.277 0.177 31 0 "[ . 1 . 2 . 3 . ]" 1 126 1 16 TRP H 1 17 VAL QG 3.100 . 4.300 3.447 3.142 3.868 . 0 0 "[ . 1 . 2 . 3 . ]" 1 127 1 16 TRP H 1 78 VAL QG 2.900 . 4.000 2.997 1.881 3.116 . 0 0 "[ . 1 . 2 . 3 . ]" 1 128 1 16 TRP HA 1 16 TRP HB2 2.900 . 4.000 3.007 2.995 3.031 . 0 0 "[ . 1 . 2 . 3 . ]" 1 129 1 16 TRP HA 1 16 TRP HB3 2.800 . 3.800 2.354 2.320 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 130 1 16 TRP HA 1 17 VAL H 2.200 . 2.800 2.195 2.106 2.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1 131 1 16 TRP HA 1 17 VAL QG 3.600 . 5.200 2.999 2.877 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 132 1 16 TRP HA 1 112 HIS H 2.800 . 3.800 3.265 1.928 3.902 0.102 23 0 "[ . 1 . 2 . 3 . ]" 1 133 1 16 TRP HA 1 112 HIS HB2 3.100 . 4.300 1.785 1.567 2.900 0.333 20 0 "[ . 1 . 2 . 3 . ]" 1 134 1 16 TRP HA 1 112 HIS HB3 2.100 . 2.700 2.698 2.171 3.372 0.672 22 4 "[ . * 1 . - + . * 3 . ]" 1 135 1 16 TRP HB2 1 16 TRP HD1 3.200 . 4.500 2.977 2.704 3.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1 136 1 16 TRP HB2 1 16 TRP HE3 3.100 . 4.300 3.759 2.438 4.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 137 1 16 TRP HB3 1 16 TRP HD1 3.600 . 5.200 3.750 3.016 3.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 138 1 16 TRP HB3 1 16 TRP HE3 3.000 . 4.100 2.682 2.465 3.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1 139 1 16 TRP HB3 1 17 VAL H 2.800 . 3.800 3.806 3.443 3.949 0.149 16 0 "[ . 1 . 2 . 3 . ]" 1 140 1 16 TRP HZ2 1 108 ARG QG 3.700 . 5.400 5.448 5.181 5.586 0.186 2 0 "[ . 1 . 2 . 3 . ]" 1 141 1 17 VAL H 1 17 VAL HA 3.100 . 4.300 2.825 2.141 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 142 1 17 VAL H 1 17 VAL HB 2.300 . 3.000 2.179 1.760 3.227 0.227 9 0 "[ . 1 . 2 . 3 . ]" 1 143 1 17 VAL H 1 17 VAL HB 2.700 . 3.600 2.646 1.698 3.124 0.102 23 0 "[ . 1 . 2 . 3 . ]" 1 144 1 17 VAL H 1 17 VAL QG 3.000 . 4.100 2.383 2.268 2.624 . 0 0 "[ . 1 . 2 . 3 . ]" 1 145 1 17 VAL H 1 114 ASN HB2 3.000 . 4.100 3.943 3.144 4.158 0.058 6 0 "[ . 1 . 2 . 3 . ]" 1 146 1 17 VAL H 1 113 LEU QD 3.300 . 4.700 3.370 3.073 3.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1 147 1 17 VAL H 1 55 LEU QD 3.700 . 5.400 5.536 5.229 5.712 0.312 2 0 "[ . 1 . 2 . 3 . ]" 1 148 1 17 VAL H 1 104 PRO HG3 3.000 . 4.100 2.678 1.698 3.175 0.202 33 0 "[ . 1 . 2 . 3 . ]" 1 149 1 17 VAL H 1 112 HIS H 3.200 . 4.500 3.514 2.890 3.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1 150 1 17 VAL H 1 112 HIS HB3 3.000 . 4.100 3.062 2.650 3.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 151 1 17 VAL H 1 113 LEU H 3.000 . 4.100 4.388 3.824 4.487 0.387 35 0 "[ . 1 . 2 . 3 . ]" 1 152 1 17 VAL H 1 113 LEU HA 3.200 . 4.500 3.572 3.142 4.531 0.031 23 0 "[ . 1 . 2 . 3 . ]" 1 153 1 17 VAL HA 1 17 VAL HB 2.600 . 3.400 2.477 2.323 2.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1 154 1 17 VAL HA 1 17 VAL QG 2.500 . 3.300 2.250 2.070 2.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1 155 1 17 VAL HA 1 18 ASP H 2.100 . 2.700 2.568 2.269 2.734 0.034 37 0 "[ . 1 . 2 . 3 . ]" 1 156 1 17 VAL HA 1 18 ASP QB 2.900 . 4.000 4.237 4.082 4.411 0.411 19 0 "[ . 1 . 2 . 3 . ]" 1 157 1 17 VAL HA 1 91 LEU QD 3.000 . 4.100 3.667 3.495 3.959 . 0 0 "[ . 1 . 2 . 3 . ]" 1 158 1 17 VAL HA 1 113 LEU QD 3.400 . 4.800 3.973 3.842 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1 159 1 17 VAL HB 1 17 VAL QG 2.100 . 2.700 1.891 1.878 1.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 160 1 17 VAL HB 1 18 ASP H 2.600 . 3.400 2.336 1.762 3.687 0.287 35 0 "[ . 1 . 2 . 3 . ]" 1 161 1 17 VAL HB 1 113 LEU QD 2.800 . 3.800 3.482 3.236 3.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1 162 1 17 VAL HB 1 111 LEU QD 3.300 . 4.700 2.950 2.183 3.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1 163 1 17 VAL QG 1 18 ASP H 2.900 . 4.000 2.484 1.669 3.175 0.131 2 0 "[ . 1 . 2 . 3 . ]" 1 164 1 17 VAL QG 1 18 ASP H 2.100 . 2.700 1.666 1.511 1.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1 165 1 17 VAL QG 1 19 THR H 3.500 . 5.000 3.867 3.535 4.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1 166 1 17 VAL QG 1 19 THR HB 2.500 . 3.300 3.238 3.081 3.359 0.059 33 0 "[ . 1 . 2 . 3 . ]" 1 167 1 17 VAL QG 1 19 THR HB 2.800 . 3.800 3.332 3.165 3.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1 168 1 17 VAL QG 1 25 THR MG 2.100 . 2.700 1.886 1.807 2.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1 169 1 17 VAL QG 1 40 THR H 2.600 . 3.400 3.270 3.091 3.473 0.073 18 0 "[ . 1 . 2 . 3 . ]" 1 170 1 17 VAL QG 1 79 VAL HA 2.900 . 4.000 2.995 2.758 4.005 0.005 31 0 "[ . 1 . 2 . 3 . ]" 1 171 1 17 VAL QG 1 113 LEU QD 2.300 . 3.000 1.724 1.542 2.184 0.058 30 0 "[ . 1 . 2 . 3 . ]" 1 172 1 17 VAL QG 1 114 ASN H 3.300 . 4.700 3.636 3.482 3.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1 173 1 17 VAL QG 1 113 LEU HA 3.000 . 4.100 2.950 2.755 3.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1 174 1 17 VAL MG1 1 19 THR MG 2.300 . 3.000 1.760 1.611 2.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 175 1 17 VAL MG1 1 59 CYS H 2.100 . 2.700 2.674 1.920 2.832 0.132 16 0 "[ . 1 . 2 . 3 . ]" 1 176 1 18 ASP H 1 18 ASP HA 3.000 . 4.100 2.911 2.712 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 177 1 18 ASP H 1 18 ASP HA 2.700 . 3.600 2.872 2.681 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 178 1 18 ASP H 1 18 ASP QB 2.100 . 2.700 2.331 2.119 2.750 0.050 16 0 "[ . 1 . 2 . 3 . ]" 1 179 1 18 ASP H 1 114 ASN HB3 3.200 . 4.500 3.907 2.668 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 180 1 18 ASP HA 1 18 ASP QB 2.300 . 3.000 2.398 2.165 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1 181 1 18 ASP HA 1 19 THR H 2.300 . 3.000 2.638 2.385 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1 182 1 18 ASP HA 1 19 THR MG 3.600 . 5.200 3.927 3.614 4.106 . 0 0 "[ . 1 . 2 . 3 . ]" 1 183 1 18 ASP HA 1 114 ASN H 2.800 . 3.800 1.906 1.638 3.548 0.162 22 0 "[ . 1 . 2 . 3 . ]" 1 184 1 18 ASP HA 1 114 ASN HB2 2.700 . 3.600 3.333 2.042 3.638 0.038 26 0 "[ . 1 . 2 . 3 . ]" 1 185 1 18 ASP HA 1 114 ASN HB3 2.500 . 3.300 2.346 1.680 3.625 0.325 38 0 "[ . 1 . 2 . 3 . ]" 1 186 1 18 ASP QB 1 19 THR H 1.800 . 2.200 2.138 1.952 2.348 0.148 31 0 "[ . 1 . 2 . 3 . ]" 1 187 1 19 THR H 1 19 THR HA 2.800 . 3.800 2.819 2.769 2.833 . 0 0 "[ . 1 . 2 . 3 . ]" 1 188 1 19 THR H 1 19 THR HB 2.900 . 4.000 3.366 3.305 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 189 1 19 THR H 1 19 THR HB 2.900 . 4.000 3.093 3.061 3.125 . 0 0 "[ . 1 . 2 . 3 . ]" 1 190 1 19 THR H 1 19 THR MG 2.700 . 3.600 2.877 2.745 3.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 191 1 19 THR H 1 19 THR MG 2.400 . 3.100 2.281 2.162 2.385 . 0 0 "[ . 1 . 2 . 3 . ]" 1 192 1 19 THR H 1 23 LYS HD3 2.700 . 3.600 2.785 2.018 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 193 1 19 THR H 1 115 VAL HA 2.800 . 3.800 2.980 2.493 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1 194 1 19 THR H 1 20 HIS HB3 3.200 . 4.500 4.004 3.090 4.774 0.274 38 0 "[ . 1 . 2 . 3 . ]" 1 195 1 19 THR H 1 45 VAL QG 2.700 . 3.600 2.808 2.391 3.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1 196 1 19 THR H 1 114 ASN HB3 3.400 . 4.800 4.034 3.095 4.862 0.062 38 0 "[ . 1 . 2 . 3 . ]" 1 197 1 19 THR H 1 115 VAL HA 3.000 . 4.100 3.044 2.505 3.848 . 0 0 "[ . 1 . 2 . 3 . ]" 1 198 1 19 THR HA 1 19 THR HB 2.400 . 3.100 2.586 2.518 2.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1 199 1 19 THR HA 1 20 HIS H 2.600 . 3.400 2.633 2.514 2.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1 200 1 19 THR HA 1 21 VAL QG 2.900 . 4.000 2.088 1.847 2.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1 201 1 19 THR HB 1 19 THR MG 2.300 . 3.000 2.130 2.127 2.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1 202 1 19 THR HB 1 20 HIS H 3.200 . 4.500 3.610 3.542 3.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1 203 1 19 THR HB 1 113 LEU QD 3.000 . 4.100 1.919 1.853 2.681 0.047 28 0 "[ . 1 . 2 . 3 . ]" 1 204 1 19 THR HB 1 113 LEU QD 3.200 . 4.500 1.988 1.859 3.275 0.041 26 0 "[ . 1 . 2 . 3 . ]" 1 205 1 19 THR HB 1 115 VAL HA 3.000 . 4.100 4.265 4.172 4.322 0.222 17 0 "[ . 1 . 2 . 3 . ]" 1 206 1 19 THR MG 1 20 HIS H 2.900 . 4.000 2.395 2.245 2.541 . 0 0 "[ . 1 . 2 . 3 . ]" 1 207 1 19 THR MG 1 20 HIS HA 3.300 . 4.700 3.371 3.253 3.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1 208 1 19 THR MG 1 22 GLY H 3.200 . 4.500 3.440 3.146 3.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1 209 1 19 THR MG 1 23 LYS HB2 2.900 . 4.000 2.954 2.692 3.637 . 0 0 "[ . 1 . 2 . 3 . ]" 1 210 1 19 THR MG 1 81 VAL HB 3.100 . 4.300 4.118 3.855 4.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 211 1 19 THR MG 1 111 LEU QD 2.800 . 3.800 1.621 1.533 1.802 0.267 17 0 "[ . 1 . 2 . 3 . ]" 1 212 1 19 THR MG 1 113 LEU QD 2.600 . 3.400 2.189 1.836 2.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1 213 1 19 THR MG 1 83 PRO HB2 3.000 . 4.100 3.738 3.328 4.152 0.052 31 0 "[ . 1 . 2 . 3 . ]" 1 214 1 19 THR MG 1 83 PRO HG2 2.800 . 3.600 3.014 2.306 3.733 0.133 31 0 "[ . 1 . 2 . 3 . ]" 1 215 1 19 THR MG 1 83 PRO HG3 2.600 . 3.300 2.381 1.952 2.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1 216 1 19 THR MG 1 113 LEU H 3.200 . 4.500 3.780 3.001 4.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1 217 1 19 THR MG 1 113 LEU QD 2.400 . 3.100 2.234 1.842 2.728 . 0 0 "[ . 1 . 2 . 3 . ]" 1 218 1 19 THR MG 1 115 VAL HA 2.800 . 3.800 1.956 1.804 2.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1 219 1 19 THR MG 1 116 LYS H 3.300 . 4.700 3.509 3.185 3.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1 220 1 20 HIS H 1 20 HIS HA 2.800 . 3.800 2.946 2.938 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1 221 1 20 HIS H 1 20 HIS HB2 2.800 . 3.800 2.495 2.372 2.712 . 0 0 "[ . 1 . 2 . 3 . ]" 1 222 1 20 HIS H 1 20 HIS HB3 3.000 . 4.100 3.666 3.541 3.806 . 0 0 "[ . 1 . 2 . 3 . ]" 1 223 1 20 HIS H 1 21 VAL QG 3.100 . 4.300 2.216 1.795 2.557 0.105 30 0 "[ . 1 . 2 . 3 . ]" 1 224 1 20 HIS H 1 23 LYS H 2.700 . 3.600 3.700 3.629 3.802 0.202 23 0 "[ . 1 . 2 . 3 . ]" 1 225 1 20 HIS H 1 23 LYS HB2 2.600 . 3.400 2.756 2.326 3.405 0.005 31 0 "[ . 1 . 2 . 3 . ]" 1 226 1 20 HIS H 1 23 LYS HB2 2.600 . 3.400 2.640 2.236 3.204 . 0 0 "[ . 1 . 2 . 3 . ]" 1 227 1 20 HIS H 1 23 LYS HB3 2.900 . 4.000 3.532 3.141 4.094 0.094 31 0 "[ . 1 . 2 . 3 . ]" 1 228 1 20 HIS H 1 23 LYS HB3 2.300 . 3.000 2.560 2.359 2.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1 229 1 20 HIS HA 1 20 HIS HB2 2.400 . 3.100 3.006 2.970 3.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1 230 1 20 HIS HA 1 20 HIS HB3 2.600 . 3.400 2.566 2.430 2.692 . 0 0 "[ . 1 . 2 . 3 . ]" 1 231 1 20 HIS HA 1 21 VAL H 2.400 . 3.100 2.780 2.535 3.075 . 0 0 "[ . 1 . 2 . 3 . ]" 1 232 1 20 HIS HA 1 21 VAL QG 3.600 . 5.200 3.066 2.668 3.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1 233 1 20 HIS HA 1 21 VAL QG 3.400 . 4.800 2.847 2.500 3.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1 234 1 20 HIS HA 1 21 VAL QG 2.800 . 3.800 2.885 2.514 3.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1 235 1 20 HIS HA 1 21 VAL MG2 2.600 . 3.400 2.930 2.541 3.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1 236 1 20 HIS HA 1 83 PRO HG2 3.300 . 4.700 3.963 3.807 4.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1 237 1 20 HIS HA 1 83 PRO HG3 3.100 . 4.300 4.286 4.175 4.358 0.058 15 0 "[ . 1 . 2 . 3 . ]" 1 238 1 20 HIS HA 1 115 VAL HA 3.300 . 4.700 3.836 3.225 4.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1 239 1 20 HIS HA 1 116 LYS H 2.600 . 3.400 3.022 2.131 3.548 0.148 31 0 "[ . 1 . 2 . 3 . ]" 1 240 1 20 HIS HB2 1 21 VAL H 2.500 . 3.300 3.145 2.470 3.381 0.081 31 0 "[ . 1 . 2 . 3 . ]" 1 241 1 20 HIS HB2 1 21 VAL QG 3.700 . 5.400 4.133 3.723 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1 242 1 20 HIS HB2 1 23 LYS HB2 2.900 . 4.000 2.652 1.856 3.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1 243 1 20 HIS HB2 1 23 LYS HB3 3.200 . 4.500 3.940 3.260 4.507 0.007 11 0 "[ . 1 . 2 . 3 . ]" 1 244 1 20 HIS HB2 1 23 LYS HD2 2.800 . 3.800 3.301 2.450 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1 245 1 20 HIS HB2 1 23 LYS HD3 2.700 . 3.600 1.760 1.716 1.866 0.084 3 0 "[ . 1 . 2 . 3 . ]" 1 246 1 20 HIS HB3 1 21 VAL H 2.400 . 3.100 1.857 1.608 2.269 0.092 20 0 "[ . 1 . 2 . 3 . ]" 1 247 1 20 HIS HB3 1 21 VAL HB 3.300 . 4.700 3.969 3.596 4.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1 248 1 20 HIS HB3 1 21 VAL QG 3.000 . 4.100 3.338 2.978 3.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1 249 1 20 HIS HB3 1 23 LYS HB2 3.100 . 4.300 3.726 3.159 4.337 0.037 7 0 "[ . 1 . 2 . 3 . ]" 1 250 1 20 HIS HB3 1 23 LYS HD2 2.800 . 3.800 4.095 3.875 4.590 0.790 22 10 "[ * . * ** *- 2 + * **3 . ]" 1 251 1 20 HIS HB3 1 23 LYS HD3 2.900 . 4.000 2.916 2.349 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1 252 1 20 HIS HD2 1 23 LYS HD2 3.400 . 4.800 4.079 1.693 4.876 0.307 36 0 "[ . 1 . 2 . 3 . ]" 1 253 1 20 HIS HD2 1 23 LYS QE 3.600 . 5.200 3.153 1.996 4.907 0.004 25 0 "[ . 1 . 2 . 3 . ]" 1 254 1 21 VAL H 1 21 VAL HA 2.800 . 3.800 2.909 2.832 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1 255 1 21 VAL H 1 21 VAL HA 3.100 . 4.300 2.828 2.764 2.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1 256 1 21 VAL H 1 21 VAL HB 2.400 . 3.100 2.662 2.542 2.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1 257 1 21 VAL H 1 21 VAL QG 2.100 . 2.700 2.113 1.904 2.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1 258 1 21 VAL H 1 21 VAL QG 2.900 . 4.000 2.125 1.910 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1 259 1 21 VAL H 1 21 VAL QG 2.600 . 3.400 2.136 1.913 2.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 260 1 21 VAL H 1 22 GLY H 3.400 . 4.800 4.243 3.934 4.413 . 0 0 "[ . 1 . 2 . 3 . ]" 1 261 1 21 VAL H 1 86 ARG QD 2.800 . 3.800 3.882 3.826 3.984 0.184 22 0 "[ . 1 . 2 . 3 . ]" 1 262 1 21 VAL H 1 86 ARG HG2 2.800 . 3.800 3.519 1.982 3.829 0.029 5 0 "[ . 1 . 2 . 3 . ]" 1 263 1 21 VAL H 1 116 LYS HA 3.900 . 5.800 5.356 5.146 5.513 . 0 0 "[ . 1 . 2 . 3 . ]" 1 264 1 21 VAL HA 1 21 VAL HB 2.800 . 3.800 2.806 2.432 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1 265 1 21 VAL HA 1 21 VAL QG 2.400 . 3.100 2.036 1.884 2.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1 266 1 21 VAL HA 1 21 VAL QG 2.300 . 3.000 2.078 1.972 2.194 . 0 0 "[ . 1 . 2 . 3 . ]" 1 267 1 21 VAL HA 1 22 GLY H 2.300 . 3.000 2.141 2.112 2.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1 268 1 21 VAL HA 1 22 GLY HA2 3.100 . 4.300 4.440 4.372 4.513 0.213 31 0 "[ . 1 . 2 . 3 . ]" 1 269 1 21 VAL HA 1 23 LYS H 3.200 . 4.500 3.451 3.325 3.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1 270 1 21 VAL HA 1 83 PRO HB2 2.800 . 3.800 2.347 1.819 3.031 . 0 0 "[ . 1 . 2 . 3 . ]" 1 271 1 21 VAL HA 1 83 PRO HB3 3.300 . 4.700 3.881 3.231 4.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1 272 1 21 VAL HA 1 83 PRO HG2 2.600 . 3.400 2.824 2.002 3.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1 273 1 21 VAL HA 1 83 PRO HG3 3.200 . 4.500 4.123 3.377 4.593 0.093 32 0 "[ . 1 . 2 . 3 . ]" 1 274 1 21 VAL HB 1 21 VAL QG 2.000 . 2.500 1.897 1.896 1.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1 275 1 21 VAL HB 1 22 GLY H 2.600 . 3.400 2.515 1.655 3.437 0.145 3 0 "[ . 1 . 2 . 3 . ]" 1 276 1 21 VAL QG 1 22 GLY H 2.700 . 3.600 2.440 2.118 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1 277 1 21 VAL QG 1 22 GLY H 2.600 . 3.300 2.231 1.917 2.438 . 0 0 "[ . 1 . 2 . 3 . ]" 1 278 1 21 VAL QG 1 22 GLY HA2 3.300 . 4.500 3.093 2.938 3.320 . 0 0 "[ . 1 . 2 . 3 . ]" 1 279 1 21 VAL QG 1 22 GLY HA3 3.200 . 4.500 3.279 3.168 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1 280 1 21 VAL QG 1 22 GLY HA3 3.600 . 5.200 3.622 3.459 3.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1 281 1 21 VAL QG 1 23 LYS HD3 3.200 . 4.500 3.952 3.694 4.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1 282 1 21 VAL QG 1 24 THR HB 2.500 . 3.300 2.260 1.829 2.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1 283 1 21 VAL QG 1 27 ILE HG13 2.800 . 3.800 2.577 2.143 2.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1 284 1 21 VAL QG 1 41 ARG HE 2.700 . 3.600 3.467 3.239 3.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1 285 1 21 VAL QG 1 41 ARG HG2 2.200 . 2.800 1.849 1.678 1.974 . 0 0 "[ . 1 . 2 . 3 . ]" 1 286 1 21 VAL QG 1 85 LYS HD2 2.600 . 3.400 2.125 1.862 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1 287 1 21 VAL QG 1 55 LEU HG 2.600 . 3.400 2.118 1.769 2.525 0.031 22 0 "[ . 1 . 2 . 3 . ]" 1 288 1 21 VAL QG 1 55 LEU HG 2.500 . 3.300 2.131 1.772 2.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1 289 1 21 VAL QG 1 60 LYS H 3.400 . 4.800 2.452 1.814 2.828 0.186 31 0 "[ . 1 . 2 . 3 . ]" 1 290 1 21 VAL QG 1 80 LEU HG 2.200 . 2.800 1.781 1.648 1.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1 291 1 21 VAL QG 1 81 VAL H 2.700 . 3.600 2.634 1.874 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1 292 1 21 VAL QG 1 83 PRO HB3 3.200 . 4.500 1.919 1.678 2.174 0.222 33 0 "[ . 1 . 2 . 3 . ]" 1 293 1 21 VAL QG 1 84 ARG HA 2.600 . 3.400 3.088 2.831 3.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1 294 1 21 VAL QG 1 83 PRO HB2 2.400 . 3.100 2.211 1.847 2.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1 295 1 21 VAL QG 1 83 PRO HB3 2.500 . 3.300 1.920 1.679 2.177 0.021 33 0 "[ . 1 . 2 . 3 . ]" 1 296 1 21 VAL QG 1 83 PRO HD2 2.500 . 3.300 2.155 1.884 2.347 . 0 0 "[ . 1 . 2 . 3 . ]" 1 297 1 21 VAL QG 1 83 PRO HG2 2.300 . 3.000 2.871 2.543 3.029 0.029 7 0 "[ . 1 . 2 . 3 . ]" 1 298 1 21 VAL QG 1 84 ARG HA 2.700 . 3.600 3.640 3.357 3.720 0.120 7 0 "[ . 1 . 2 . 3 . ]" 1 299 1 21 VAL QG 1 85 LYS H 2.900 . 4.000 3.730 3.532 3.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1 300 1 21 VAL QG 1 86 ARG HA 2.600 . 3.400 2.287 1.833 2.558 . 0 0 "[ . 1 . 2 . 3 . ]" 1 301 1 21 VAL QG 1 86 ARG QD 3.000 . 4.100 3.057 2.278 3.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1 302 1 21 VAL QG 1 86 ARG HG2 2.500 . 3.300 2.370 1.816 3.357 0.057 32 0 "[ . 1 . 2 . 3 . ]" 1 303 1 21 VAL QG 1 116 LYS HA 3.200 . 4.500 4.108 3.933 4.281 . 0 0 "[ . 1 . 2 . 3 . ]" 1 304 1 21 VAL MG1 1 22 GLY HA3 2.800 . 3.800 2.195 2.103 2.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1 305 1 21 VAL MG1 1 26 GLU HB3 2.600 . 3.400 2.502 2.228 2.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1 306 1 21 VAL MG1 1 85 LYS HB3 3.200 . 4.500 4.492 4.206 4.677 0.177 11 0 "[ . 1 . 2 . 3 . ]" 1 307 1 21 VAL MG1 1 85 LYS QG 2.600 . 3.400 3.448 3.130 3.500 0.100 16 0 "[ . 1 . 2 . 3 . ]" 1 308 1 21 VAL MG1 1 83 PRO HD2 3.300 . 4.700 3.897 3.434 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1 309 1 21 VAL MG2 1 23 LYS HD3 3.300 . 4.700 3.277 3.067 3.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1 310 1 21 VAL MG2 1 87 GLY H 3.000 . 4.100 2.791 1.888 3.037 0.012 31 0 "[ . 1 . 2 . 3 . ]" 1 311 1 21 VAL MG2 1 116 LYS H 3.000 . 4.100 2.633 2.040 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1 312 1 22 GLY H 1 22 GLY HA2 2.400 . 3.100 2.795 2.756 2.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1 313 1 22 GLY H 1 22 GLY HA3 2.600 . 3.400 2.281 2.277 2.288 . 0 0 "[ . 1 . 2 . 3 . ]" 1 314 1 22 GLY H 1 23 LYS H 2.700 . 3.600 2.780 2.674 2.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1 315 1 22 GLY H 1 23 LYS HD3 2.700 . 3.600 2.435 2.215 2.953 . 0 0 "[ . 1 . 2 . 3 . ]" 1 316 1 22 GLY H 1 83 PRO HB2 3.200 . 4.500 2.422 1.881 3.235 0.019 33 0 "[ . 1 . 2 . 3 . ]" 1 317 1 22 GLY H 1 83 PRO HG2 3.100 . 4.300 2.560 1.878 3.466 0.022 20 0 "[ . 1 . 2 . 3 . ]" 1 318 1 22 GLY H 1 115 VAL QG 3.300 . 4.700 2.595 2.033 3.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1 319 1 22 GLY HA2 1 23 LYS H 3.300 . 4.700 3.421 3.371 3.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 320 1 22 GLY HA2 1 82 LYS QD 2.800 . 3.800 3.828 3.800 3.932 0.132 32 0 "[ . 1 . 2 . 3 . ]" 1 321 1 22 GLY HA2 1 82 LYS QG 2.600 . 3.400 3.623 3.568 3.660 0.260 23 0 "[ . 1 . 2 . 3 . ]" 1 322 1 22 GLY HA3 1 23 LYS H 2.900 . 4.000 3.139 3.041 3.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1 323 1 22 GLY HA3 1 23 LYS HD2 3.100 . 4.300 3.607 3.351 3.783 . 0 0 "[ . 1 . 2 . 3 . ]" 1 324 1 22 GLY HA3 1 82 LYS QD 2.800 . 3.800 3.624 3.364 3.806 0.006 37 0 "[ . 1 . 2 . 3 . ]" 1 325 1 22 GLY HA3 1 82 LYS QG 2.600 . 3.400 2.920 2.594 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1 326 1 23 LYS H 1 23 LYS HA 2.600 . 3.400 2.195 1.860 2.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1 327 1 23 LYS H 1 23 LYS HB2 2.400 . 3.100 2.144 2.111 2.208 . 0 0 "[ . 1 . 2 . 3 . ]" 1 328 1 23 LYS H 1 23 LYS HB3 2.500 . 3.300 3.013 2.910 3.075 . 0 0 "[ . 1 . 2 . 3 . ]" 1 329 1 23 LYS H 1 23 LYS HD2 3.000 . 4.100 3.973 3.156 4.115 0.015 10 0 "[ . 1 . 2 . 3 . ]" 1 330 1 23 LYS H 1 23 LYS HD2 2.900 . 4.000 3.974 3.480 4.061 0.061 16 0 "[ . 1 . 2 . 3 . ]" 1 331 1 23 LYS H 1 23 LYS HD3 3.000 . 4.100 3.798 3.645 4.220 0.120 37 0 "[ . 1 . 2 . 3 . ]" 1 332 1 23 LYS H 1 23 LYS HD3 2.700 . 3.600 3.662 2.418 4.132 0.532 37 1 "[ . 1 . 2 . 3 . + ]" 1 333 1 23 LYS HA 1 23 LYS HB2 2.700 . 3.600 2.712 2.652 2.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1 334 1 23 LYS HA 1 23 LYS HB2 2.300 . 3.000 2.235 2.130 2.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 335 1 23 LYS HA 1 23 LYS HB3 2.700 . 3.600 2.954 2.926 2.986 . 0 0 "[ . 1 . 2 . 3 . ]" 1 336 1 23 LYS HA 1 23 LYS HB3 2.000 . 2.500 2.232 2.219 2.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1 337 1 23 LYS HA 1 23 LYS HD2 3.000 . 4.100 2.379 1.795 2.692 0.105 37 0 "[ . 1 . 2 . 3 . ]" 1 338 1 23 LYS HA 1 23 LYS HD3 2.800 . 3.800 3.312 3.107 3.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1 339 1 23 LYS HA 1 24 THR H 2.200 . 2.800 2.280 2.215 2.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 340 1 23 LYS HB2 1 23 LYS HD2 2.300 . 3.000 2.961 2.703 3.056 0.056 31 0 "[ . 1 . 2 . 3 . ]" 1 341 1 23 LYS HB2 1 23 LYS HD3 2.400 . 3.100 2.167 2.100 2.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1 342 1 23 LYS HB3 1 23 LYS HD3 2.400 . 3.100 3.443 3.326 3.807 0.707 37 1 "[ . 1 . 2 . 3 . + ]" 1 343 1 23 LYS HD2 1 24 THR H 3.200 . 4.500 4.335 3.742 4.544 0.044 24 0 "[ . 1 . 2 . 3 . ]" 1 344 1 23 LYS HE2 1 24 THR H 2.700 . 3.600 3.704 3.551 3.946 0.346 37 0 "[ . 1 . 2 . 3 . ]" 1 345 1 24 THR H 1 24 THR HB 2.200 . 2.800 2.825 2.765 2.865 0.065 33 0 "[ . 1 . 2 . 3 . ]" 1 346 1 24 THR H 1 24 THR MG 2.800 . 3.800 3.717 3.700 3.739 . 0 0 "[ . 1 . 2 . 3 . ]" 1 347 1 24 THR HA 1 24 THR MG 2.700 . 3.600 2.273 2.253 2.293 . 0 0 "[ . 1 . 2 . 3 . ]" 1 348 1 24 THR HA 1 25 THR H 2.300 . 3.000 2.181 2.155 2.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 349 1 24 THR HA 1 82 LYS HA 2.700 . 3.600 2.996 2.815 3.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1 350 1 24 THR HB 1 24 THR MG 2.400 . 3.100 2.135 2.133 2.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1 351 1 24 THR HB 1 80 LEU QD 3.700 . 5.400 3.602 3.473 3.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1 352 1 24 THR MG 1 25 THR H 2.700 . 3.600 3.296 3.194 3.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1 353 1 24 THR MG 1 25 THR H 2.700 . 3.600 3.103 3.037 3.187 . 0 0 "[ . 1 . 2 . 3 . ]" 1 354 1 24 THR MG 1 25 THR HA 3.900 . 5.800 4.203 4.027 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1 355 1 24 THR MG 1 26 GLU H 2.800 . 3.800 3.097 3.033 3.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1 356 1 24 THR MG 1 81 VAL QG 3.000 . 4.100 2.807 2.560 3.156 . 0 0 "[ . 1 . 2 . 3 . ]" 1 357 1 24 THR MG 1 26 GLU HA 3.800 . 5.600 4.001 3.813 4.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1 358 1 24 THR MG 1 27 ILE MD 3.600 . 5.200 4.975 4.822 5.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1 359 1 24 THR MG 1 80 LEU HA 3.100 . 4.300 3.059 2.887 3.240 . 0 0 "[ . 1 . 2 . 3 . ]" 1 360 1 24 THR MG 1 80 LEU HB2 2.600 . 3.400 3.471 3.411 3.532 0.132 8 0 "[ . 1 . 2 . 3 . ]" 1 361 1 24 THR MG 1 80 LEU HB2 2.700 . 3.600 3.458 3.400 3.518 . 0 0 "[ . 1 . 2 . 3 . ]" 1 362 1 24 THR MG 1 80 LEU HB3 2.600 . 3.400 2.008 1.924 2.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1 363 1 24 THR MG 1 80 LEU QD 2.500 . 3.300 1.716 1.657 1.818 0.043 17 0 "[ . 1 . 2 . 3 . ]" 1 364 1 24 THR MG 1 80 LEU QD 3.300 . 4.700 1.711 1.655 1.813 0.245 17 0 "[ . 1 . 2 . 3 . ]" 1 365 1 24 THR MG 1 80 LEU HG 2.900 . 4.000 2.838 2.643 3.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 366 1 24 THR MG 1 81 VAL H 2.800 . 3.800 3.861 3.824 3.925 0.125 4 0 "[ . 1 . 2 . 3 . ]" 1 367 1 24 THR MG 1 81 VAL H 3.100 . 4.300 3.674 3.612 3.718 . 0 0 "[ . 1 . 2 . 3 . ]" 1 368 1 24 THR MG 1 82 LYS HA 4.100 . 6.000 4.384 4.192 4.711 . 0 0 "[ . 1 . 2 . 3 . ]" 1 369 1 24 THR MG 1 82 LYS QE 2.300 . 3.000 2.343 2.093 2.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1 370 1 25 THR H 1 25 THR HA 3.000 . 4.100 2.922 2.898 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 371 1 25 THR H 1 25 THR HB 2.500 . 3.300 2.488 2.443 2.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1 372 1 25 THR H 1 25 THR MG 3.200 . 4.500 3.789 3.766 3.819 . 0 0 "[ . 1 . 2 . 3 . ]" 1 373 1 25 THR H 1 80 LEU QD 3.500 . 5.000 3.030 2.845 3.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1 374 1 25 THR H 1 81 VAL H 2.900 . 4.000 2.725 2.552 2.875 . 0 0 "[ . 1 . 2 . 3 . ]" 1 375 1 25 THR H 1 81 VAL HB 3.100 . 4.300 3.695 3.566 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1 376 1 25 THR H 1 81 VAL QG 3.500 . 5.000 3.177 2.934 3.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1 377 1 25 THR HA 1 25 THR HB 3.000 . 4.100 3.027 3.024 3.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1 378 1 25 THR HA 1 25 THR MG 2.600 . 3.400 2.438 2.369 2.498 . 0 0 "[ . 1 . 2 . 3 . ]" 1 379 1 25 THR HA 1 26 GLU H 2.100 . 2.700 2.155 2.137 2.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1 380 1 25 THR HA 1 26 GLU QB 2.800 . 3.800 4.038 4.019 4.083 0.283 9 0 "[ . 1 . 2 . 3 . ]" 1 381 1 25 THR HB 1 25 THR MG 2.400 . 3.100 2.135 2.133 2.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1 382 1 25 THR HB 1 45 VAL QG 2.000 . 2.500 1.869 1.781 2.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1 383 1 25 THR HB 1 45 VAL QG 2.500 . 3.300 1.748 1.690 1.898 0.010 21 0 "[ . 1 . 2 . 3 . ]" 1 384 1 25 THR HB 1 80 LEU QD 3.400 . 4.800 3.409 2.835 3.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1 385 1 25 THR HB 1 81 VAL H 2.800 . 3.800 3.010 2.759 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 386 1 25 THR HB 1 81 VAL HB 2.400 . 3.100 3.036 2.700 3.169 0.069 34 0 "[ . 1 . 2 . 3 . ]" 1 387 1 25 THR HB 1 81 VAL QG 3.600 . 5.200 2.032 1.903 2.534 0.097 21 0 "[ . 1 . 2 . 3 . ]" 1 388 1 25 THR HB 1 81 VAL QG 2.500 . 3.300 1.979 1.891 2.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1 389 1 25 THR HB 1 81 VAL QG 2.300 . 3.000 2.019 1.897 2.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 390 1 25 THR MG 1 26 GLU H 2.700 . 3.600 3.294 3.187 3.424 . 0 0 "[ . 1 . 2 . 3 . ]" 1 391 1 25 THR MG 1 26 GLU QB 2.900 . 4.000 3.869 3.500 4.011 0.011 38 0 "[ . 1 . 2 . 3 . ]" 1 392 1 25 THR MG 1 27 ILE MD 3.200 . 4.500 2.383 1.870 2.849 0.030 7 0 "[ . 1 . 2 . 3 . ]" 1 393 1 25 THR MG 1 27 ILE MD 2.300 . 3.000 1.972 1.752 2.062 . 0 0 "[ . 1 . 2 . 3 . ]" 1 394 1 25 THR MG 1 27 ILE MG 2.600 . 3.400 3.105 2.393 3.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1 395 1 25 THR MG 1 27 ILE MG 3.600 . 5.200 4.300 4.186 4.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1 396 1 25 THR MG 1 27 ILE MG 2.700 . 3.600 3.120 3.107 3.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1 397 1 25 THR MG 1 91 LEU MD2 4.300 . 6.000 4.179 3.724 5.195 . 0 0 "[ . 1 . 2 . 3 . ]" 1 398 1 25 THR MG 1 81 VAL QG 2.400 . 3.100 1.891 1.813 2.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1 399 1 25 THR MG 1 111 LEU QD 2.900 . 4.000 1.929 1.839 2.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1 400 1 26 GLU H 1 26 GLU HA 2.800 . 3.800 2.864 2.836 2.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1 401 1 26 GLU H 1 26 GLU QB 2.400 . 3.100 2.233 2.205 2.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1 402 1 26 GLU H 1 26 GLU QB 2.100 . 2.700 2.215 2.176 2.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1 403 1 26 GLU H 1 26 GLU HG2 2.600 . 3.400 3.508 3.201 3.597 0.197 7 0 "[ . 1 . 2 . 3 . ]" 1 404 1 26 GLU H 1 26 GLU HG3 3.000 . 4.100 4.414 4.346 4.479 0.379 28 0 "[ . 1 . 2 . 3 . ]" 1 405 1 26 GLU H 1 27 ILE H 3.300 . 4.700 3.689 3.545 3.749 . 0 0 "[ . 1 . 2 . 3 . ]" 1 406 1 26 GLU H 1 27 ILE HB 3.000 . 4.100 4.285 4.214 4.331 0.231 22 0 "[ . 1 . 2 . 3 . ]" 1 407 1 26 GLU H 1 27 ILE MD 3.400 . 4.800 4.381 3.660 4.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1 408 1 26 GLU H 1 27 ILE HG12 3.300 . 4.700 4.329 4.204 4.498 . 0 0 "[ . 1 . 2 . 3 . ]" 1 409 1 26 GLU H 1 111 LEU QD 3.500 . 5.000 3.720 3.490 3.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1 410 1 26 GLU H 1 91 LEU QD 3.000 . 4.100 3.475 2.967 4.133 0.033 4 0 "[ . 1 . 2 . 3 . ]" 1 411 1 26 GLU HA 1 26 GLU QB 2.500 . 3.300 2.374 2.339 2.404 . 0 0 "[ . 1 . 2 . 3 . ]" 1 412 1 26 GLU HA 1 26 GLU QB 2.200 . 2.800 2.311 2.284 2.329 . 0 0 "[ . 1 . 2 . 3 . ]" 1 413 1 26 GLU HA 1 26 GLU HG2 2.800 . 3.800 3.176 3.063 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1 414 1 26 GLU HA 1 26 GLU HG3 2.700 . 3.600 2.432 2.372 2.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1 415 1 26 GLU HA 1 27 ILE H 2.000 . 2.500 2.147 2.107 2.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1 416 1 26 GLU HA 1 27 ILE HB 3.200 . 4.500 4.612 4.571 4.656 0.156 13 0 "[ . 1 . 2 . 3 . ]" 1 417 1 26 GLU HA 1 78 VAL QG 3.700 . 5.400 3.173 2.861 3.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1 418 1 26 GLU HA 1 80 LEU HA 2.800 . 3.800 2.718 2.437 2.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1 419 1 26 GLU HA 1 80 LEU QD 2.600 . 3.400 1.980 1.781 2.197 0.019 17 0 "[ . 1 . 2 . 3 . ]" 1 420 1 26 GLU HA 1 81 VAL H 3.500 . 5.000 3.879 3.650 4.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1 421 1 26 GLU QB 1 27 ILE H 2.400 . 3.100 2.801 2.674 2.955 . 0 0 "[ . 1 . 2 . 3 . ]" 1 422 1 26 GLU QB 1 80 LEU QD 2.200 . 2.800 2.056 1.912 2.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1 423 1 26 GLU HG2 1 27 ILE H 3.100 . 4.300 3.165 2.932 3.470 . 0 0 "[ . 1 . 2 . 3 . ]" 1 424 1 26 GLU HG2 1 28 HIS HD2 2.600 . 3.400 3.032 1.772 3.416 0.028 30 0 "[ . 1 . 2 . 3 . ]" 1 425 1 26 GLU HG2 1 76 ILE MG 3.600 . 5.200 4.258 3.027 4.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1 426 1 26 GLU HG2 1 76 ILE MD 3.700 . 5.400 5.420 5.016 5.769 0.369 30 0 "[ . 1 . 2 . 3 . ]" 1 427 1 26 GLU HG3 1 27 ILE H 2.800 . 3.800 2.985 2.831 3.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1 428 1 26 GLU HG3 1 28 HIS HD2 3.200 . 4.500 3.567 2.751 3.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1 429 1 26 GLU HG3 1 78 VAL QG 2.700 . 3.600 2.218 1.768 2.687 0.032 13 0 "[ . 1 . 2 . 3 . ]" 1 430 1 26 GLU HG3 1 78 VAL QG 2.900 . 4.000 2.216 1.768 2.682 0.032 13 0 "[ . 1 . 2 . 3 . ]" 1 431 1 26 GLU HG3 1 80 LEU QD 2.400 . 3.100 2.160 1.940 2.348 . 0 0 "[ . 1 . 2 . 3 . ]" 1 432 1 27 ILE H 1 27 ILE HA 3.000 . 4.100 2.935 2.925 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 433 1 27 ILE H 1 27 ILE HB 2.500 . 3.300 2.766 2.589 2.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1 434 1 27 ILE H 1 27 ILE MD 3.200 . 4.500 4.124 3.581 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1 435 1 27 ILE H 1 27 ILE MD 3.600 . 5.200 3.074 2.741 3.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1 436 1 27 ILE H 1 27 ILE HG12 2.800 . 3.800 3.866 2.595 3.967 0.167 32 0 "[ . 1 . 2 . 3 . ]" 1 437 1 27 ILE H 1 27 ILE HG12 3.000 . 4.100 3.797 2.587 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 438 1 27 ILE H 1 27 ILE HG13 2.700 . 3.600 2.880 2.661 3.961 0.361 7 0 "[ . 1 . 2 . 3 . ]" 1 439 1 27 ILE H 1 27 ILE MG 3.100 . 4.300 3.900 3.829 3.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 440 1 27 ILE H 1 29 LEU QD 3.800 . 5.600 4.103 3.262 4.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1 441 1 27 ILE H 1 80 LEU QD 3.000 . 4.100 3.548 3.190 3.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1 442 1 27 ILE H 1 80 LEU QD 2.900 . 4.000 3.436 3.109 3.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1 443 1 27 ILE H 1 81 VAL QG 3.500 . 5.000 3.558 3.258 3.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1 444 1 27 ILE HA 1 27 ILE HB 2.800 . 3.800 3.006 3.002 3.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1 445 1 27 ILE HA 1 27 ILE MD 3.300 . 4.700 3.784 2.125 3.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 446 1 27 ILE HA 1 27 ILE MD 3.400 . 4.800 3.660 2.121 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1 447 1 27 ILE HA 1 27 ILE HG12 2.800 . 3.800 2.564 2.466 3.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1 448 1 27 ILE HA 1 27 ILE HG13 2.900 . 4.000 3.135 3.027 3.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1 449 1 27 ILE HA 1 27 ILE MG 2.900 . 4.000 2.354 2.313 2.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1 450 1 27 ILE HA 1 28 HIS H 2.100 . 2.700 2.170 2.130 2.274 . 0 0 "[ . 1 . 2 . 3 . ]" 1 451 1 27 ILE HA 1 28 HIS HB2 3.400 . 4.800 4.826 4.413 5.083 0.283 31 0 "[ . 1 . 2 . 3 . ]" 1 452 1 27 ILE HB 1 27 ILE MD 2.500 . 3.300 2.460 2.342 3.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 453 1 27 ILE HB 1 27 ILE MD 2.200 . 2.800 2.337 2.183 2.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1 454 1 27 ILE HB 1 27 ILE HG12 2.500 . 3.300 3.007 2.464 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 455 1 27 ILE HB 1 27 ILE HG13 2.400 . 3.100 2.452 2.423 2.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1 456 1 27 ILE HB 1 29 LEU QD 3.500 . 5.000 3.357 2.854 4.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1 457 1 27 ILE HB 1 29 LEU QD 3.600 . 5.200 3.331 2.846 3.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1 458 1 27 ILE HB 1 78 VAL QG 2.500 . 3.300 2.662 2.231 2.890 . 0 0 "[ . 1 . 2 . 3 . ]" 1 459 1 27 ILE HB 1 78 VAL QG 3.300 . 4.700 3.626 3.100 4.014 . 0 0 "[ . 1 . 2 . 3 . ]" 1 460 1 27 ILE HB 1 79 VAL H 3.000 . 4.100 3.103 2.590 3.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1 461 1 27 ILE HB 1 79 VAL HB 2.100 . 2.700 2.372 1.662 2.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1 462 1 27 ILE HB 1 81 VAL QG 3.200 . 4.500 3.213 1.717 3.526 0.183 26 0 "[ . 1 . 2 . 3 . ]" 1 463 1 27 ILE HB 1 93 LEU QD 3.100 . 4.300 2.592 1.925 3.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1 464 1 27 ILE MD 1 27 ILE HG12 2.200 . 2.800 1.889 1.886 1.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 465 1 27 ILE MD 1 27 ILE HG13 2.400 . 3.100 2.116 2.108 2.118 . 0 0 "[ . 1 . 2 . 3 . ]" 1 466 1 27 ILE MD 1 27 ILE MG 2.700 . 3.600 1.976 1.923 2.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1 467 1 27 ILE MD 1 27 ILE MG 2.500 . 3.300 1.973 1.921 2.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1 468 1 27 ILE MD 1 28 HIS H 3.100 . 4.300 4.336 3.763 4.482 0.182 3 0 "[ . 1 . 2 . 3 . ]" 1 469 1 27 ILE MD 1 29 LEU QD 3.700 . 5.400 3.369 3.171 3.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1 470 1 27 ILE MD 1 29 LEU QD 2.400 . 3.100 1.981 1.733 2.349 . 0 0 "[ . 1 . 2 . 3 . ]" 1 471 1 27 ILE MD 1 55 LEU QD 3.000 . 4.100 4.123 3.922 4.228 0.128 32 0 "[ . 1 . 2 . 3 . ]" 1 472 1 27 ILE MD 1 55 LEU QD 3.000 . 4.100 3.829 3.664 3.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 473 1 27 ILE MD 1 80 LEU QD 3.000 . 4.100 2.645 1.757 2.839 0.143 20 0 "[ . 1 . 2 . 3 . ]" 1 474 1 27 ILE MD 1 93 LEU H 3.100 . 4.300 3.305 1.992 3.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1 475 1 27 ILE MD 1 81 VAL HB 2.900 . 4.000 3.927 3.493 4.114 0.114 7 0 "[ . 1 . 2 . 3 . ]" 1 476 1 27 ILE MD 1 111 LEU HB2 3.300 . 4.700 3.114 2.863 3.962 . 0 0 "[ . 1 . 2 . 3 . ]" 1 477 1 27 ILE MD 1 111 LEU HB3 3.600 . 5.200 3.469 3.109 4.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1 478 1 27 ILE MD 1 79 VAL H 2.600 . 3.400 2.271 2.024 2.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1 479 1 27 ILE MD 1 109 TYR QD 2.700 . 3.600 1.947 1.861 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1 480 1 27 ILE MD 1 109 TYR QE 2.900 . 4.000 1.946 1.806 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 481 1 27 ILE MD 1 81 VAL QG 2.300 . 3.000 2.411 1.809 3.405 0.405 28 0 "[ . 1 . 2 . 3 . ]" 1 482 1 27 ILE MD 1 109 TYR QD 3.500 . 5.000 3.798 3.013 5.004 0.004 7 0 "[ . 1 . 2 . 3 . ]" 1 483 1 27 ILE MD 1 109 TYR QE 3.200 . 4.500 1.996 1.851 3.030 0.049 13 0 "[ . 1 . 2 . 3 . ]" 1 484 1 27 ILE MD 1 111 LEU QD 2.300 . 3.000 1.804 1.598 2.033 0.202 23 0 "[ . 1 . 2 . 3 . ]" 1 485 1 27 ILE HG12 1 27 ILE MG 2.500 . 3.300 2.423 2.352 3.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1 486 1 27 ILE HG12 1 29 LEU QD 3.400 . 4.800 4.607 4.408 5.172 0.372 7 0 "[ . 1 . 2 . 3 . ]" 1 487 1 27 ILE HG13 1 27 ILE MG 2.700 . 3.600 3.187 2.404 3.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1 488 1 27 ILE HG13 1 78 VAL QG 3.100 . 4.300 3.196 2.385 3.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1 489 1 27 ILE MG 1 28 HIS H 2.900 . 4.000 3.216 3.013 3.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1 490 1 27 ILE MG 1 28 HIS H 2.700 . 3.600 3.197 3.004 3.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1 491 1 27 ILE MG 1 28 HIS HB2 3.000 . 4.100 2.764 2.198 3.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1 492 1 27 ILE MG 1 29 LEU H 2.800 . 3.800 2.482 2.283 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1 493 1 27 ILE MG 1 29 LEU H 3.500 . 5.000 3.573 2.975 4.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 494 1 27 ILE MG 1 29 LEU HA 2.300 . 3.000 2.887 2.824 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 495 1 27 ILE MG 1 29 LEU QD 2.300 . 3.000 1.800 1.709 1.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 496 1 27 ILE MG 1 30 LYS H 2.700 . 3.600 3.713 3.175 3.833 0.233 28 0 "[ . 1 . 2 . 3 . ]" 1 497 1 27 ILE MG 1 39 TRP HE1 3.300 . 4.700 4.003 3.769 4.161 . 0 0 "[ . 1 . 2 . 3 . ]" 1 498 1 27 ILE MG 1 76 ILE MD 3.200 . 4.500 4.750 4.622 4.849 0.349 34 0 "[ . 1 . 2 . 3 . ]" 1 499 1 27 ILE MG 1 29 LEU QD 3.000 . 4.100 1.916 1.781 2.146 0.119 31 0 "[ . 1 . 2 . 3 . ]" 1 500 1 27 ILE MG 1 39 TRP HZ3 4.200 . 6.000 3.034 2.049 4.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1 501 1 27 ILE MG 1 54 ILE MD 2.400 . 3.100 1.967 1.850 2.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1 502 1 27 ILE MG 1 55 LEU QD 3.300 . 4.700 2.819 2.164 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1 503 1 27 ILE MG 1 81 VAL H 3.500 . 5.000 4.283 4.174 4.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1 504 1 27 ILE MG 1 89 HIS HB2 3.200 . 4.500 3.846 3.493 4.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1 505 1 27 ILE MG 1 91 LEU QD 3.400 . 4.800 4.088 3.339 4.807 0.007 4 0 "[ . 1 . 2 . 3 . ]" 1 506 1 27 ILE MG 1 77 TYR QD 4.200 . 6.000 5.611 5.435 6.026 0.026 28 0 "[ . 1 . 2 . 3 . ]" 1 507 1 27 ILE MG 1 109 TYR QD 3.700 . 5.400 4.046 3.435 4.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1 508 1 27 ILE MG 1 109 TYR QE 3.500 . 5.000 2.685 1.993 3.519 0.007 7 0 "[ . 1 . 2 . 3 . ]" 1 509 1 28 HIS H 1 28 HIS HA 2.800 . 3.800 2.893 2.874 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 510 1 28 HIS H 1 28 HIS HB2 2.300 . 3.000 2.684 2.242 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 511 1 28 HIS H 1 28 HIS HB3 2.700 . 3.600 3.602 3.524 3.635 0.035 18 0 "[ . 1 . 2 . 3 . ]" 1 512 1 28 HIS H 1 28 HIS HB3 2.500 . 3.300 3.479 3.415 3.501 0.201 18 0 "[ . 1 . 2 . 3 . ]" 1 513 1 28 HIS H 1 29 LEU H 3.100 . 4.300 4.216 3.871 4.393 0.093 32 0 "[ . 1 . 2 . 3 . ]" 1 514 1 28 HIS H 1 29 LEU QD 2.800 . 3.800 3.390 3.117 3.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1 515 1 28 HIS H 1 76 ILE MG 3.800 . 5.600 4.417 4.061 5.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1 516 1 28 HIS HA 1 28 HIS HB2 2.700 . 3.600 2.996 2.928 3.012 . 0 0 "[ . 1 . 2 . 3 . ]" 1 517 1 28 HIS HA 1 28 HIS HB3 2.700 . 3.600 2.376 2.257 2.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1 518 1 28 HIS HA 1 28 HIS HD2 3.200 . 4.500 3.016 2.742 3.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1 519 1 28 HIS HA 1 29 LEU H 2.300 . 3.000 2.183 2.135 2.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1 520 1 28 HIS HA 1 29 LEU HB3 3.100 . 4.300 2.576 2.330 3.186 . 0 0 "[ . 1 . 2 . 3 . ]" 1 521 1 28 HIS HA 1 76 ILE MD 3.600 . 5.200 2.581 2.332 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1 522 1 28 HIS HA 1 76 ILE MG 3.400 . 4.800 4.273 2.557 4.849 0.049 7 0 "[ . 1 . 2 . 3 . ]" 1 523 1 28 HIS HA 1 78 VAL HA 3.100 . 4.300 2.697 2.283 2.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1 524 1 28 HIS HA 1 78 VAL QG 3.300 . 4.700 3.243 2.684 3.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1 525 1 28 HIS HA 1 79 VAL H 3.200 . 4.500 3.965 3.553 4.115 . 0 0 "[ . 1 . 2 . 3 . ]" 1 526 1 28 HIS HB2 1 29 LEU HB3 2.900 . 4.000 3.350 2.638 3.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1 527 1 28 HIS HB2 1 76 ILE MG 3.000 . 4.100 4.271 4.169 4.405 0.305 7 0 "[ . 1 . 2 . 3 . ]" 1 528 1 28 HIS HB2 1 76 ILE MD 3.500 . 5.000 3.358 2.639 3.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1 529 1 28 HIS HB2 1 76 ILE MG 3.300 . 4.700 4.391 4.218 4.785 0.085 37 0 "[ . 1 . 2 . 3 . ]" 1 530 1 28 HIS HB3 1 29 LEU H 3.100 . 4.300 3.837 3.523 4.164 . 0 0 "[ . 1 . 2 . 3 . ]" 1 531 1 28 HIS HB3 1 29 LEU H 2.900 . 4.000 2.907 2.058 3.154 . 0 0 "[ . 1 . 2 . 3 . ]" 1 532 1 28 HIS HB3 1 76 ILE MD 3.000 . 4.100 1.970 1.779 2.193 0.121 31 0 "[ . 1 . 2 . 3 . ]" 1 533 1 28 HIS HB3 1 76 ILE MG 2.900 . 4.000 3.462 2.869 3.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1 534 1 28 HIS HB3 1 76 ILE MG 2.800 . 3.800 3.421 2.829 3.870 0.070 3 0 "[ . 1 . 2 . 3 . ]" 1 535 1 28 HIS HB3 1 78 VAL QG 3.100 . 4.300 3.123 2.633 3.657 . 0 0 "[ . 1 . 2 . 3 . ]" 1 536 1 28 HIS HD2 1 29 LEU H 3.400 . 4.800 4.717 4.557 4.964 0.164 31 0 "[ . 1 . 2 . 3 . ]" 1 537 1 28 HIS HD2 1 78 VAL H 3.600 . 5.200 5.094 4.697 5.241 0.041 33 0 "[ . 1 . 2 . 3 . ]" 1 538 1 28 HIS HD2 1 78 VAL HA 3.200 . 4.500 3.179 2.526 3.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1 539 1 28 HIS HD2 1 78 VAL QG 3.200 . 4.500 2.070 1.812 2.471 0.188 3 0 "[ . 1 . 2 . 3 . ]" 1 540 1 28 HIS HD2 1 78 VAL QG 3.200 . 4.500 2.069 1.812 2.470 0.088 3 0 "[ . 1 . 2 . 3 . ]" 1 541 1 28 HIS HD2 1 79 VAL H 3.400 . 4.800 4.668 3.356 4.835 0.035 7 0 "[ . 1 . 2 . 3 . ]" 1 542 1 29 LEU H 1 29 LEU HB2 3.100 . 4.300 2.533 2.295 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1 543 1 29 LEU H 1 29 LEU HB3 3.000 . 4.100 3.662 3.496 3.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1 544 1 29 LEU H 1 29 LEU HB3 2.600 . 3.400 3.108 2.910 3.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1 545 1 29 LEU H 1 29 LEU QD 3.700 . 4.700 3.159 1.966 3.351 0.034 31 0 "[ . 1 . 2 . 3 . ]" 1 546 1 29 LEU H 1 29 LEU HG 2.900 . 4.000 2.598 2.298 4.092 0.092 28 0 "[ . 1 . 2 . 3 . ]" 1 547 1 29 LEU H 1 30 LYS HA 3.300 . 4.700 4.438 3.855 4.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1 548 1 29 LEU H 1 76 ILE MG 3.100 . 4.300 4.275 3.515 4.468 0.168 3 0 "[ . 1 . 2 . 3 . ]" 1 549 1 29 LEU H 1 76 ILE MG 3.100 . 4.300 4.138 3.488 4.309 0.009 32 0 "[ . 1 . 2 . 3 . ]" 1 550 1 29 LEU H 1 77 TYR H 3.100 . 4.300 2.838 2.095 4.602 0.302 16 0 "[ . 1 . 2 . 3 . ]" 1 551 1 29 LEU H 1 77 TYR HB2 2.900 . 4.000 3.031 2.067 3.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1 552 1 29 LEU H 1 78 VAL HA 2.900 . 4.000 3.808 3.533 4.183 0.183 22 0 "[ . 1 . 2 . 3 . ]" 1 553 1 29 LEU H 1 79 VAL QG 2.700 . 3.600 2.778 2.643 3.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1 554 1 29 LEU HA 1 29 LEU HB2 2.800 . 3.800 3.009 2.953 3.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1 555 1 29 LEU HA 1 29 LEU HB3 2.500 . 3.300 2.443 2.393 2.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1 556 1 29 LEU HA 1 29 LEU QD . . 3.100 2.227 2.017 2.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1 557 1 29 LEU HA 1 29 LEU HG 3.000 . 4.100 3.008 2.207 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1 558 1 29 LEU HA 1 30 LYS H 2.300 . 3.000 2.283 2.210 2.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1 559 1 29 LEU HA 1 30 LYS H 2.100 . 2.700 2.016 1.952 2.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1 560 1 29 LEU HA 1 76 ILE MG 4.000 . 6.000 4.714 4.332 5.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 561 1 29 LEU HB2 1 29 LEU QD 2.900 . 4.000 2.187 2.080 2.248 . 0 0 "[ . 1 . 2 . 3 . ]" 1 562 1 29 LEU HB2 1 30 LYS H 3.000 . 4.100 3.771 3.190 3.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1 563 1 29 LEU HB2 1 77 TYR HB2 3.000 . 4.100 2.121 1.830 2.357 0.070 34 0 "[ . 1 . 2 . 3 . ]" 1 564 1 29 LEU HB3 1 29 LEU QD 3.100 . 4.000 2.134 2.071 2.409 . 0 0 "[ . 1 . 2 . 3 . ]" 1 565 1 29 LEU HB3 1 77 TYR HB2 2.500 . 3.300 3.255 2.750 3.361 0.061 26 0 "[ . 1 . 2 . 3 . ]" 1 566 1 29 LEU HB3 1 30 LYS H 2.900 . 4.000 2.741 2.164 2.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1 567 1 29 LEU HB3 1 39 TRP HE1 3.300 . 4.700 4.543 3.969 4.762 0.062 7 0 "[ . 1 . 2 . 3 . ]" 1 568 1 29 LEU HB3 1 77 TYR H 3.300 . 4.700 2.962 2.124 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1 569 1 29 LEU HB3 1 77 TYR HB2 2.900 . 4.000 3.795 3.364 4.028 0.028 8 0 "[ . 1 . 2 . 3 . ]" 1 570 1 29 LEU MD1 1 29 LEU MD2 2.600 . 3.400 2.085 2.071 2.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1 571 1 29 LEU QD 1 30 LYS H 3.200 . 4.500 3.500 3.269 3.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1 572 1 29 LEU QD 1 30 LYS HA 4.000 . 6.000 4.283 3.893 4.435 . 0 0 "[ . 1 . 2 . 3 . ]" 1 573 1 29 LEU QD 1 30 LYS QD 3.300 . 4.700 3.229 3.026 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 574 1 29 LEU QD 1 39 TRP HB3 3.400 . 4.800 2.639 1.971 3.473 0.029 16 0 "[ . 1 . 2 . 3 . ]" 1 575 1 29 LEU QD 1 39 TRP HE1 3.500 . 5.000 3.775 3.140 3.983 . 0 0 "[ . 1 . 2 . 3 . ]" 1 576 1 29 LEU QD 1 39 TRP HE3 3.700 . 5.400 2.886 2.648 3.273 . 0 0 "[ . 1 . 2 . 3 . ]" 1 577 1 29 LEU QD 1 39 TRP HZ2 3.900 . 5.800 4.428 3.354 4.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1 578 1 29 LEU QD 1 77 TYR HB2 3.400 . 4.800 2.327 1.964 3.057 0.036 3 0 "[ . 1 . 2 . 3 . ]" 1 579 1 29 LEU QD 1 78 VAL QG 3.600 . 5.200 3.920 3.544 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 580 1 29 LEU QD 1 79 VAL QG 2.800 . 3.800 2.605 1.967 3.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1 581 1 29 LEU QD 1 81 VAL QG 3.900 . 5.800 3.865 3.523 4.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1 582 1 29 LEU QD 1 93 LEU HB2 3.600 . 5.200 3.933 3.501 4.592 . 0 0 "[ . 1 . 2 . 3 . ]" 1 583 1 29 LEU QD 1 93 LEU QD . . 4.000 2.099 1.773 2.799 0.227 34 0 "[ . 1 . 2 . 3 . ]" 1 584 1 29 LEU QD 1 109 TYR HB2 3.400 . 4.800 3.817 2.796 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1 585 1 29 LEU QD 1 109 TYR HB3 3.200 . 4.500 3.655 3.026 4.056 . 0 0 "[ . 1 . 2 . 3 . ]" 1 586 1 29 LEU QD 1 109 TYR QD 3.700 . 4.300 3.150 2.784 3.542 . 0 0 "[ . 1 . 2 . 3 . ]" 1 587 1 29 LEU QD 1 109 TYR QE 3.500 . 5.000 3.069 2.671 3.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1 588 1 30 LYS H 1 30 LYS HA 2.800 . 3.800 2.932 2.911 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 589 1 30 LYS H 1 30 LYS HB2 2.200 . 2.800 2.705 2.555 2.880 0.080 32 0 "[ . 1 . 2 . 3 . ]" 1 590 1 30 LYS H 1 30 LYS QD 2.300 . 3.000 2.411 1.585 2.936 0.015 10 0 "[ . 1 . 2 . 3 . ]" 1 591 1 30 LYS H 1 30 LYS HD3 2.200 . 2.800 2.469 1.600 2.871 0.071 17 0 "[ . 1 . 2 . 3 . ]" 1 592 1 30 LYS H 1 30 LYS QG 2.500 . 3.300 2.451 2.267 3.007 . 0 0 "[ . 1 . 2 . 3 . ]" 1 593 1 30 LYS HA 1 31 GLY H 2.200 . 2.800 2.396 2.330 2.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1 594 1 30 LYS HA 1 76 ILE MD 3.100 . 4.300 3.569 1.960 3.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1 595 1 30 LYS HA 1 77 TYR QD 2.700 . 3.600 3.133 2.878 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1 596 1 30 LYS HA 1 77 TYR QE 2.900 . 4.000 3.061 2.760 3.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1 597 1 30 LYS HB2 1 30 LYS QG 2.400 . 3.100 2.339 2.168 2.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1 598 1 30 LYS HB2 1 31 GLY H 2.500 . 3.300 3.399 3.342 3.513 0.213 12 0 "[ . 1 . 2 . 3 . ]" 1 599 1 30 LYS HB2 1 31 GLY H 2.300 . 3.000 2.384 2.277 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1 600 1 30 LYS HB2 1 76 ILE MD 3.800 . 5.600 3.859 2.204 5.498 . 0 0 "[ . 1 . 2 . 3 . ]" 1 601 1 30 LYS HB2 1 76 ILE MG 3.300 . 4.700 4.194 2.318 4.718 0.018 3 0 "[ . 1 . 2 . 3 . ]" 1 602 1 30 LYS QD 1 30 LYS QG 1.900 . 2.400 2.070 2.013 2.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1 603 1 30 LYS QE 1 30 LYS QG 3.100 . 4.300 2.283 2.137 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1 604 1 30 LYS QG 1 76 ILE MD 3.400 . 4.800 4.508 3.615 4.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1 605 1 31 GLY H 1 31 GLY QA 2.300 . 3.000 2.491 2.437 2.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1 606 1 31 GLY HA2 1 95 TYR QE 3.300 . 4.700 3.738 3.105 4.116 . 0 0 "[ . 1 . 2 . 3 . ]" 1 607 1 31 GLY HA2 1 39 TRP HE3 3.500 . 5.000 4.584 4.358 4.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1 608 1 31 GLY HA2 1 77 TYR QE 3.000 . 4.100 2.294 2.051 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1 609 1 31 GLY HA2 1 95 TYR QE 3.700 . 5.400 3.776 3.111 4.186 . 0 0 "[ . 1 . 2 . 3 . ]" 1 610 1 31 GLY HA3 1 32 ASN QB 2.800 . 3.800 2.165 1.857 2.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1 611 1 31 GLY HA3 1 39 TRP HE3 3.800 . 5.600 5.757 5.680 5.972 0.372 32 0 "[ . 1 . 2 . 3 . ]" 1 612 1 31 GLY HA3 1 77 TYR QE 3.200 . 4.500 3.611 3.447 4.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1 613 1 31 GLY HA3 1 95 TYR QE 3.500 . 5.000 4.644 4.021 5.013 0.013 30 0 "[ . 1 . 2 . 3 . ]" 1 614 1 31 GLY HA3 1 77 TYR QE 3.800 . 5.600 3.644 3.568 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1 615 1 31 GLY HA3 1 95 TYR QE 3.500 . 5.000 4.657 4.025 5.040 0.040 32 0 "[ . 1 . 2 . 3 . ]" 1 616 1 32 ASN H 1 38 MET QG 2.900 . 4.000 3.735 3.686 3.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1 617 1 32 ASN H 1 61 TYR QE 3.100 . 4.300 3.954 3.106 4.385 0.085 27 0 "[ . 1 . 2 . 3 . ]" 1 618 1 32 ASN H 1 39 TRP HD1 3.600 . 5.200 4.740 4.119 5.261 0.061 15 0 "[ . 1 . 2 . 3 . ]" 1 619 1 32 ASN HA 1 33 PRO HD2 2.400 . 3.100 2.145 1.845 2.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1 620 1 32 ASN HA 1 33 PRO HD3 2.300 . 3.000 2.479 1.867 2.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1 621 1 32 ASN HA 1 33 PRO HG2 3.500 . 5.000 4.254 3.977 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1 622 1 32 ASN HA 1 33 PRO HG3 3.300 . 4.700 3.853 3.482 4.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1 623 1 32 ASN QB 1 32 ASN HD21 2.500 . 3.300 2.159 2.070 2.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1 624 1 32 ASN QB 1 32 ASN HD21 2.200 . 2.800 2.148 1.960 2.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 625 1 32 ASN QB 1 32 ASN HD21 2.300 . 3.000 2.129 1.894 2.201 . 0 0 "[ . 1 . 2 . 3 . ]" 1 626 1 32 ASN QB 1 32 ASN HD22 2.700 . 3.600 3.237 3.210 3.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1 627 1 32 ASN QB 1 35 THR MG 2.600 . 3.400 2.592 1.806 3.571 0.171 32 0 "[ . 1 . 2 . 3 . ]" 1 628 1 32 ASN HD21 1 34 THR H 2.500 . 3.300 2.669 2.402 3.309 0.009 17 0 "[ . 1 . 2 . 3 . ]" 1 629 1 32 ASN HD21 1 34 THR HB 3.300 . 4.700 3.753 2.278 4.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1 630 1 32 ASN HD21 1 34 THR MG 3.500 . 5.000 3.797 2.154 4.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1 631 1 32 ASN HD21 1 35 THR MG 2.600 . 3.400 2.322 1.749 3.420 0.051 19 0 "[ . 1 . 2 . 3 . ]" 1 632 1 32 ASN HD21 1 35 THR HA 3.100 . 4.300 4.046 3.207 4.443 0.143 32 0 "[ . 1 . 2 . 3 . ]" 1 633 1 32 ASN HD21 1 35 THR HA 2.600 . 3.400 2.779 2.662 2.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1 634 1 32 ASN HD22 1 35 THR MG 3.700 . 5.400 3.740 2.140 5.173 . 0 0 "[ . 1 . 2 . 3 . ]" 1 635 1 33 PRO HA 1 33 PRO HB3 2.500 . 3.300 2.290 2.266 2.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1 636 1 33 PRO HB2 1 33 PRO HG2 2.500 . 3.300 2.319 2.304 2.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1 637 1 33 PRO HB2 1 33 PRO HG3 2.200 . 2.800 2.808 2.651 2.998 0.198 27 0 "[ . 1 . 2 . 3 . ]" 1 638 1 33 PRO HB2 1 33 PRO HG3 2.400 . 3.100 2.736 2.570 2.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1 639 1 33 PRO HB2 1 77 TYR QE 3.000 . 4.100 2.931 2.795 3.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1 640 1 33 PRO HB3 1 33 PRO HD3 2.800 . 3.800 3.422 2.919 4.061 0.261 15 0 "[ . 1 . 2 . 3 . ]" 1 641 1 33 PRO HB3 1 33 PRO HG2 2.700 . 3.600 2.850 2.650 2.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1 642 1 33 PRO HB3 1 64 THR H 3.100 . 4.300 3.155 1.704 3.998 0.196 9 0 "[ . 1 . 2 . 3 . ]" 1 643 1 33 PRO HD2 1 33 PRO HG2 2.500 . 3.300 2.310 2.285 2.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1 644 1 33 PRO HD2 1 33 PRO HG3 2.500 . 3.300 2.813 2.672 2.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1 645 1 33 PRO HD2 1 61 TYR QE 3.200 . 4.500 4.533 4.164 4.613 0.113 29 0 "[ . 1 . 2 . 3 . ]" 1 646 1 33 PRO HD2 1 61 TYR QE 3.300 . 4.700 4.546 4.173 4.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1 647 1 33 PRO HD3 1 33 PRO HG2 2.600 . 3.400 2.867 2.673 2.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1 648 1 33 PRO HD3 1 33 PRO HG3 2.600 . 3.400 2.312 2.285 2.324 . 0 0 "[ . 1 . 2 . 3 . ]" 1 649 1 33 PRO HD3 1 61 TYR QE 3.200 . 4.500 3.547 3.004 4.673 0.173 32 0 "[ . 1 . 2 . 3 . ]" 1 650 1 33 PRO HD3 1 61 TYR QE 3.000 . 4.100 3.545 3.004 4.664 0.564 32 1 "[ . 1 . 2 . 3 + . ]" 1 651 1 33 PRO HG2 1 34 THR H 2.700 . 3.600 2.431 1.701 3.550 0.099 2 0 "[ . 1 . 2 . 3 . ]" 1 652 1 33 PRO HG3 1 34 THR H 3.200 . 4.500 4.440 3.477 5.163 0.663 29 1 "[ . 1 . 2 . +3 . ]" 1 653 1 34 THR H 1 34 THR HA 2.300 . 3.000 2.805 2.268 2.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1 654 1 34 THR H 1 34 THR HB 2.700 . 3.600 3.347 2.505 3.895 0.295 34 0 "[ . 1 . 2 . 3 . ]" 1 655 1 34 THR H 1 34 THR MG 2.600 . 3.400 2.666 1.834 3.738 0.338 7 0 "[ . 1 . 2 . 3 . ]" 1 656 1 34 THR H 1 35 THR H 2.600 . 3.400 2.741 2.451 3.413 0.013 17 0 "[ . 1 . 2 . 3 . ]" 1 657 1 34 THR HA 1 34 THR MG 2.300 . 3.000 2.419 2.194 3.194 0.194 18 0 "[ . 1 . 2 . 3 . ]" 1 658 1 34 THR HA 1 35 THR H 3.300 . 4.700 3.223 2.678 3.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1 659 1 34 THR HA 1 35 THR H 2.900 . 4.000 3.171 2.658 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 660 1 34 THR HB 1 34 THR MG 2.200 . 2.800 2.132 2.128 2.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1 661 1 35 THR H 1 35 THR HA 2.800 . 3.800 2.869 2.244 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 662 1 35 THR H 1 35 THR MG 2.800 . 3.800 2.788 1.882 3.873 0.073 17 0 "[ . 1 . 2 . 3 . ]" 1 663 1 35 THR H 1 61 TYR QE 3.200 . 4.500 4.759 4.454 4.909 0.409 28 0 "[ . 1 . 2 . 3 . ]" 1 664 1 35 THR HA 1 35 THR HB 2.300 . 3.000 2.647 2.359 3.022 0.022 15 0 "[ . 1 . 2 . 3 . ]" 1 665 1 35 THR HA 1 35 THR MG 2.600 . 3.400 2.518 2.284 3.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1 666 1 35 THR HA 1 36 GLY H 3.000 . 4.100 3.546 2.954 3.582 . 0 0 "[ . 1 . 2 . 3 . ]" 1 667 1 35 THR HB 1 35 THR MG 2.300 . 3.000 2.133 2.130 2.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1 668 1 35 THR MG 1 37 TYR HD1 3.800 . 5.600 4.609 2.467 5.855 0.255 32 0 "[ . 1 . 2 . 3 . ]" 1 669 1 36 GLY H 1 36 GLY HA2 2.400 . 3.100 2.802 2.374 2.953 . 0 0 "[ . 1 . 2 . 3 . ]" 1 670 1 36 GLY H 1 36 GLY HA3 2.400 . 3.100 2.727 2.523 2.953 . 0 0 "[ . 1 . 2 . 3 . ]" 1 671 1 36 GLY H 1 37 TYR H 2.700 . 3.600 2.672 1.783 3.645 0.045 34 0 "[ . 1 . 2 . 3 . ]" 1 672 1 36 GLY HA2 1 37 TYR H 3.000 . 4.100 2.686 2.119 3.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1 673 1 36 GLY HA2 1 37 TYR H 3.000 . 4.100 2.677 2.118 3.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1 674 1 36 GLY HA3 1 37 TYR H 3.200 . 4.500 3.456 3.004 3.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1 675 1 37 TYR H 1 37 TYR HA 3.000 . 4.100 2.898 2.776 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 676 1 37 TYR H 1 37 TYR HB2 2.600 . 3.400 2.482 2.389 2.739 . 0 0 "[ . 1 . 2 . 3 . ]" 1 677 1 37 TYR H 1 37 TYR HB3 2.800 . 3.800 3.655 3.590 3.828 0.028 30 0 "[ . 1 . 2 . 3 . ]" 1 678 1 37 TYR H 1 37 TYR HD1 2.900 . 4.000 2.196 1.790 3.126 0.010 17 0 "[ . 1 . 2 . 3 . ]" 1 679 1 37 TYR HA 1 37 TYR HB2 2.700 . 3.600 3.021 3.015 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 680 1 37 TYR HA 1 37 TYR HB3 2.800 . 3.800 2.498 2.439 2.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1 681 1 37 TYR HA 1 37 TYR QD 3.100 . 4.300 3.122 3.037 3.246 . 0 0 "[ . 1 . 2 . 3 . ]" 1 682 1 37 TYR HA 1 38 MET H 2.300 . 3.000 2.587 2.189 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1 683 1 37 TYR HA 1 97 ARG HA 3.000 . 4.100 2.317 1.885 3.309 0.015 18 0 "[ . 1 . 2 . 3 . ]" 1 684 1 37 TYR HA 1 97 ARG HG2 3.000 . 4.100 2.315 1.896 3.470 0.004 10 0 "[ . 1 . 2 . 3 . ]" 1 685 1 37 TYR HA 1 97 ARG HG3 3.100 . 4.300 2.952 1.897 4.124 0.003 2 0 "[ . 1 . 2 . 3 . ]" 1 686 1 37 TYR HB2 1 37 TYR QD 2.600 . 3.400 2.522 2.435 2.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1 687 1 37 TYR HB2 1 38 MET H 2.900 . 4.000 3.270 2.896 4.046 0.046 30 0 "[ . 1 . 2 . 3 . ]" 1 688 1 37 TYR HB2 1 102 ILE MG 3.000 . 4.100 4.052 3.840 4.244 0.144 4 0 "[ . 1 . 2 . 3 . ]" 1 689 1 37 TYR HB2 1 95 TYR QE 2.800 . 3.800 2.942 2.821 3.511 . 0 0 "[ . 1 . 2 . 3 . ]" 1 690 1 37 TYR HB2 1 97 ARG HB2 2.600 . 3.400 3.399 1.782 4.074 0.674 7 5 "[ * . + 1 * - 2 . 3 *. ]" 1 691 1 37 TYR HB2 1 97 ARG HB3 2.900 . 4.000 3.115 2.622 4.111 0.111 5 0 "[ . 1 . 2 . 3 . ]" 1 692 1 37 TYR HB3 1 37 TYR QD 2.800 . 3.800 2.329 2.279 2.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1 693 1 37 TYR HB3 1 38 MET H 2.700 . 3.600 2.049 1.811 2.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1 694 1 37 TYR HB3 1 39 TRP HB3 2.900 . 4.000 3.614 3.288 3.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1 695 1 37 TYR HB3 1 39 TRP HE3 3.600 . 5.200 3.139 2.582 3.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1 696 1 37 TYR HB3 1 95 TYR QE 3.500 . 5.000 3.788 3.397 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1 697 1 37 TYR HB3 1 98 PRO QD 3.000 . 4.100 2.740 2.568 3.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1 698 1 37 TYR HD2 1 96 THR H 3.400 . 4.800 2.885 1.991 3.592 0.009 25 0 "[ . 1 . 2 . 3 . ]" 1 699 1 37 TYR HD2 1 96 THR HA 3.000 . 4.100 2.014 1.767 2.788 0.133 22 0 "[ . 1 . 2 . 3 . ]" 1 700 1 37 TYR HD2 1 102 ILE MG 3.400 . 4.800 5.032 4.927 5.173 0.373 8 0 "[ . 1 . 2 . 3 . ]" 1 701 1 37 TYR QE 1 97 ARG HD2 2.900 . 4.000 3.290 2.824 4.135 0.135 11 0 "[ . 1 . 2 . 3 . ]" 1 702 1 37 TYR QE 1 97 ARG HD3 3.000 . 4.100 3.940 2.764 4.196 0.096 7 0 "[ . 1 . 2 . 3 . ]" 1 703 1 37 TYR HE2 1 96 THR HA 2.800 . 3.800 3.422 3.037 3.827 0.027 20 0 "[ . 1 . 2 . 3 . ]" 1 704 1 37 TYR HE2 1 106 ASN HD21 2.500 . 3.300 3.144 2.289 3.342 0.042 15 0 "[ . 1 . 2 . 3 . ]" 1 705 1 37 TYR HE2 1 106 ASN HD22 2.900 . 4.000 2.063 1.786 2.424 0.014 8 0 "[ . 1 . 2 . 3 . ]" 1 706 1 38 MET H 1 38 MET HA 2.900 . 4.000 2.905 2.854 2.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1 707 1 38 MET H 1 38 MET QG 3.100 . 3.800 3.758 3.705 3.831 0.031 32 0 "[ . 1 . 2 . 3 . ]" 1 708 1 38 MET HA 1 38 MET HB2 2.600 . 3.400 2.311 2.296 2.340 . 0 0 "[ . 1 . 2 . 3 . ]" 1 709 1 38 MET HA 1 38 MET HB3 2.600 . 3.400 2.982 2.969 3.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 710 1 38 MET HA 1 38 MET HB3 2.400 . 3.100 2.528 2.482 2.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1 711 1 38 MET HA 1 38 MET QG 2.700 . 3.600 2.732 2.647 2.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1 712 1 38 MET HA 1 38 MET QG 3.300 . 4.700 2.684 2.603 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1 713 1 38 MET HA 1 39 TRP H 2.500 . 3.300 2.269 2.223 2.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1 714 1 38 MET HA 1 40 THR MG 3.000 . 4.100 3.169 3.121 3.180 . 0 0 "[ . 1 . 2 . 3 . ]" 1 715 1 38 MET HA 1 95 TYR HE1 2.800 . 3.800 3.183 2.844 3.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1 716 1 38 MET HA 1 96 THR MG 3.400 . 4.800 3.157 3.145 3.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1 717 1 38 MET HB2 1 38 MET QG 2.000 . 2.500 2.303 2.262 2.375 . 0 0 "[ . 1 . 2 . 3 . ]" 1 718 1 38 MET HB2 1 39 TRP H 2.700 . 3.600 3.658 3.576 3.744 0.144 3 0 "[ . 1 . 2 . 3 . ]" 1 719 1 38 MET HB2 1 40 THR H 2.900 . 4.000 4.230 4.188 4.288 0.288 10 0 "[ . 1 . 2 . 3 . ]" 1 720 1 38 MET HB2 1 80 LEU HB3 2.100 . 2.700 2.749 2.285 3.063 0.363 29 0 "[ . 1 . 2 . 3 . ]" 1 721 1 38 MET HB2 1 96 THR MG 3.200 . 4.500 4.448 4.260 4.671 0.171 10 0 "[ . 1 . 2 . 3 . ]" 1 722 1 38 MET HB2 1 98 PRO HG2 2.100 . 2.700 2.243 2.088 2.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1 723 1 38 MET HB2 1 98 PRO HG3 2.100 . 2.700 2.751 2.255 2.931 0.231 2 0 "[ . 1 . 2 . 3 . ]" 1 724 1 38 MET HB3 1 38 MET QG 2.300 . 3.000 2.364 2.300 2.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1 725 1 38 MET HB3 1 39 TRP H 2.900 . 4.000 2.227 2.146 2.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1 726 1 38 MET HB3 1 40 THR HB 2.500 . 3.300 2.464 2.219 2.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1 727 1 38 MET HB3 1 50 LEU QD 2.800 . 3.800 2.909 1.772 3.618 0.028 28 0 "[ . 1 . 2 . 3 . ]" 1 728 1 38 MET HB3 1 94 VAL QG 3.300 . 4.700 4.252 3.955 4.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1 729 1 38 MET HB3 1 96 THR MG 2.800 . 3.800 2.806 2.632 3.015 . 0 0 "[ . 1 . 2 . 3 . ]" 1 730 1 38 MET HB3 1 39 TRP H 2.900 . 4.000 4.069 4.009 4.137 0.137 28 0 "[ . 1 . 2 . 3 . ]" 1 731 1 38 MET HB3 1 98 PRO QD 2.300 . 3.000 1.817 1.591 1.978 0.009 18 0 "[ . 1 . 2 . 3 . ]" 1 732 1 38 MET HB3 1 98 PRO QD 2.000 . 2.500 1.809 1.591 1.962 . 0 0 "[ . 1 . 2 . 3 . ]" 1 733 1 38 MET QG 1 39 TRP HB3 3.100 . 4.300 4.110 3.844 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1 734 1 38 MET QG 1 40 THR HB 2.600 . 3.400 2.472 2.225 2.741 . 0 0 "[ . 1 . 2 . 3 . ]" 1 735 1 38 MET QG 1 40 THR MG 3.600 . 4.700 2.303 1.914 2.604 0.086 36 0 "[ . 1 . 2 . 3 . ]" 1 736 1 38 MET QG 1 44 PHE QB 3.100 . 4.300 2.709 2.113 3.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1 737 1 38 MET QG 1 45 VAL HA 3.500 . 5.000 4.605 4.268 4.823 . 0 0 "[ . 1 . 2 . 3 . ]" 1 738 1 38 MET QG 1 61 TYR HB2 3.400 . 4.800 4.653 4.148 4.753 . 0 0 "[ . 1 . 2 . 3 . ]" 1 739 1 38 MET QG 1 77 TYR QE 2.900 . 4.000 3.236 2.486 4.198 0.198 13 0 "[ . 1 . 2 . 3 . ]" 1 740 1 38 MET QG 1 93 LEU QD 3.400 . 4.800 3.496 3.258 3.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1 741 1 38 MET QG 1 96 THR MG 3.400 . 4.800 3.546 3.290 3.726 . 0 0 "[ . 1 . 2 . 3 . ]" 1 742 1 38 MET QG 1 98 PRO HG2 3.200 . 4.500 4.373 3.791 5.416 0.916 6 8 "[ .+ * 1 . ** 2 - . *3* . * ]" 1 743 1 39 TRP H 1 39 TRP HA 3.000 . 4.100 2.937 2.920 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1 744 1 39 TRP H 1 39 TRP HB2 2.400 . 3.100 2.302 2.225 2.344 . 0 0 "[ . 1 . 2 . 3 . ]" 1 745 1 39 TRP H 1 39 TRP HB3 2.600 . 3.400 3.420 3.321 3.547 0.147 22 0 "[ . 1 . 2 . 3 . ]" 1 746 1 39 TRP H 1 77 TYR QE 3.200 . 4.500 2.429 1.895 4.526 0.026 13 0 "[ . 1 . 2 . 3 . ]" 1 747 1 39 TRP H 1 95 TYR HE1 3.000 . 4.100 3.763 3.100 4.145 0.045 34 0 "[ . 1 . 2 . 3 . ]" 1 748 1 39 TRP HA 1 39 TRP HB2 2.900 . 4.000 2.929 2.897 2.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1 749 1 39 TRP HA 1 39 TRP HB3 2.800 . 3.800 2.733 2.603 2.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1 750 1 39 TRP HA 1 39 TRP HE3 3.100 . 4.300 2.523 2.292 3.008 . 0 0 "[ . 1 . 2 . 3 . ]" 1 751 1 39 TRP HA 1 39 TRP HZ3 3.700 . 5.400 2.721 2.376 3.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1 752 1 39 TRP HA 1 40 THR H 2.200 . 2.800 2.255 2.137 2.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1 753 1 39 TRP HA 1 93 LEU HB3 3.600 . 5.200 3.682 3.279 3.833 . 0 0 "[ . 1 . 2 . 3 . ]" 1 754 1 39 TRP HA 1 94 VAL H 2.900 . 4.000 2.734 2.660 2.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1 755 1 39 TRP HA 1 96 THR MG 4.000 . 6.000 4.215 3.846 4.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1 756 1 39 TRP HA 1 96 THR H 3.400 . 4.800 3.845 3.644 3.978 . 0 0 "[ . 1 . 2 . 3 . ]" 1 757 1 39 TRP HA 1 95 TYR HA 2.800 . 3.800 2.762 2.553 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1 758 1 39 TRP HA 1 95 TYR HD1 3.400 . 4.800 2.770 2.346 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1 759 1 39 TRP HA 1 96 THR H 3.400 . 4.800 3.958 3.728 4.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 760 1 39 TRP HB2 1 39 TRP HD1 3.000 . 4.100 2.550 2.538 2.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1 761 1 39 TRP HB2 1 39 TRP HE3 3.200 . 4.500 2.871 2.261 3.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1 762 1 39 TRP HB2 1 39 TRP HH2 3.700 . 5.400 4.477 4.073 4.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1 763 1 39 TRP HB2 1 39 TRP HH2 3.400 . 4.800 4.517 4.088 5.023 0.223 31 0 "[ . 1 . 2 . 3 . ]" 1 764 1 39 TRP HB2 1 50 LEU QD 3.400 . 4.800 3.921 3.638 4.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1 765 1 39 TRP HB2 1 61 TYR QE 3.000 . 4.100 3.732 3.100 3.982 . 0 0 "[ . 1 . 2 . 3 . ]" 1 766 1 39 TRP HB2 1 77 TYR HB3 2.300 . 3.000 2.374 2.266 2.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1 767 1 39 TRP HB2 1 77 TYR QD 2.900 . 4.000 2.926 2.270 3.285 . 0 0 "[ . 1 . 2 . 3 . ]" 1 768 1 39 TRP HB2 1 95 TYR H 3.000 . 4.100 3.966 3.468 4.210 0.110 28 0 "[ . 1 . 2 . 3 . ]" 1 769 1 39 TRP HB3 1 39 TRP HE3 3.000 . 4.100 2.950 2.678 3.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1 770 1 39 TRP HB3 1 39 TRP HE3 3.200 . 4.500 2.761 2.608 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1 771 1 39 TRP HB3 1 40 THR H 3.100 . 4.300 4.059 3.722 4.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1 772 1 39 TRP HB3 1 93 LEU QD 2.900 . 4.000 2.996 2.389 3.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 773 1 39 TRP HD1 1 77 TYR QD 3.100 . 4.300 3.760 3.055 4.326 0.026 34 0 "[ . 1 . 2 . 3 . ]" 1 774 1 39 TRP HE1 1 95 TYR HB3 3.100 . 4.300 2.280 1.845 3.045 0.055 7 0 "[ . 1 . 2 . 3 . ]" 1 775 1 39 TRP HE1 1 107 GLU HG2 2.900 . 4.000 4.056 3.647 4.355 0.355 33 0 "[ . 1 . 2 . 3 . ]" 1 776 1 39 TRP HE1 1 107 GLU HG3 2.800 . 3.800 3.943 3.816 4.147 0.347 13 0 "[ . 1 . 2 . 3 . ]" 1 777 1 39 TRP HE3 1 40 THR H 3.200 . 4.500 3.408 2.862 4.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 778 1 39 TRP HE3 1 93 LEU QD 4.100 . 6.000 3.142 2.576 3.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1 779 1 39 TRP HE3 1 93 LEU HB2 2.900 . 4.000 3.816 3.143 4.083 0.083 34 0 "[ . 1 . 2 . 3 . ]" 1 780 1 39 TRP HE3 1 93 LEU HB2 3.300 . 4.700 3.644 3.111 3.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1 781 1 39 TRP HE3 1 93 LEU HB3 2.600 . 3.400 2.389 1.975 2.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1 782 1 39 TRP HE3 1 94 VAL H 3.400 . 4.800 3.295 2.502 4.805 0.005 22 0 "[ . 1 . 2 . 3 . ]" 1 783 1 39 TRP HH2 1 55 LEU MD1 3.400 . 4.800 1.958 1.865 2.759 0.135 27 0 "[ . 1 . 2 . 3 . ]" 1 784 1 39 TRP HH2 1 107 GLU HB3 3.700 . 5.400 3.013 2.626 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1 785 1 39 TRP HH2 1 107 GLU HG2 3.700 . 5.400 3.853 2.885 5.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 786 1 39 TRP HZ3 1 79 VAL QG 4.200 . 6.000 6.064 5.722 6.158 0.158 15 0 "[ . 1 . 2 . 3 . ]" 1 787 1 39 TRP HZ3 1 95 TYR H 3.600 . 5.200 4.155 3.709 5.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1 788 1 39 TRP HZ3 1 108 ARG HA 3.500 . 5.000 3.548 2.925 4.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1 789 1 39 TRP HZ3 1 109 TYR H 2.900 . 4.000 3.360 2.717 3.740 . 0 0 "[ . 1 . 2 . 3 . ]" 1 790 1 40 THR H 1 40 THR HA 2.700 . 3.600 2.939 2.892 2.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1 791 1 40 THR H 1 40 THR HB 3.200 . 4.500 3.164 3.029 3.396 . 0 0 "[ . 1 . 2 . 3 . ]" 1 792 1 40 THR H 1 40 THR MG 2.800 . 3.800 2.263 1.835 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1 793 1 40 THR H 1 90 THR MG 3.300 . 4.700 3.357 2.984 3.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1 794 1 40 THR H 1 94 VAL H 2.800 . 3.800 3.315 2.949 3.797 . 0 0 "[ . 1 . 2 . 3 . ]" 1 795 1 40 THR H 1 94 VAL QG 3.400 . 4.800 3.591 3.067 4.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1 796 1 40 THR HA 1 40 THR HB 2.400 . 3.100 2.487 2.379 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 797 1 40 THR HA 1 40 THR MG 3.000 . 4.100 3.198 3.182 3.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1 798 1 40 THR HA 1 41 ARG H 2.500 . 3.300 2.761 2.276 2.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1 799 1 40 THR HA 1 45 VAL QG 2.800 . 3.800 3.027 2.742 3.931 0.131 36 0 "[ . 1 . 2 . 3 . ]" 1 800 1 40 THR HA 1 50 LEU QD 3.000 . 4.100 2.994 2.728 3.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1 801 1 40 THR HA 1 50 LEU QD 3.000 . 4.100 3.024 2.749 3.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1 802 1 40 THR HA 1 57 VAL HB 3.200 . 4.500 3.034 2.610 3.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1 803 1 40 THR HA 1 61 TYR QD 3.300 . 4.700 4.889 4.731 4.999 0.299 4 0 "[ . 1 . 2 . 3 . ]" 1 804 1 40 THR HA 1 90 THR MG 3.300 . 4.700 2.024 1.818 3.278 0.082 32 0 "[ . 1 . 2 . 3 . ]" 1 805 1 40 THR HB 1 40 THR MG 2.300 . 3.000 2.135 2.130 2.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1 806 1 40 THR HB 1 41 ARG H 3.100 . 4.300 3.586 3.479 3.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 807 1 40 THR HB 1 45 VAL QG 2.900 . 4.000 3.243 3.036 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1 808 1 40 THR HB 1 50 LEU QD 3.400 . 4.800 3.422 3.201 4.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1 809 1 40 THR HB 1 61 TYR QD 2.500 . 3.300 3.523 3.387 3.728 0.428 36 0 "[ . 1 . 2 . 3 . ]" 1 810 1 40 THR HB 1 61 TYR QE 2.900 . 4.000 3.874 2.624 4.304 0.304 7 0 "[ . 1 . 2 . 3 . ]" 1 811 1 40 THR HB 1 96 THR MG 2.900 . 4.000 2.748 2.579 3.100 . 0 0 "[ . 1 . 2 . 3 . ]" 1 812 1 40 THR MG 1 41 ARG H 3.000 . 4.100 2.643 2.305 3.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1 813 1 40 THR MG 1 42 VAL HA 3.100 . 4.300 3.411 3.033 3.726 . 0 0 "[ . 1 . 2 . 3 . ]" 1 814 1 40 THR MG 1 44 PHE H 3.100 . 4.300 2.895 2.449 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1 815 1 40 THR MG 1 45 VAL HA 2.400 . 3.100 1.855 1.684 2.911 0.016 7 0 "[ . 1 . 2 . 3 . ]" 1 816 1 40 THR MG 1 45 VAL HA 2.500 . 3.300 1.752 1.647 2.259 0.053 7 0 "[ . 1 . 2 . 3 . ]" 1 817 1 40 THR MG 1 46 GLY H 3.100 . 4.300 2.619 2.247 3.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1 818 1 40 THR MG 1 94 VAL QG 2.300 . 3.000 2.629 2.230 3.051 0.051 10 0 "[ . 1 . 2 . 3 . ]" 1 819 1 40 THR MG 1 96 THR MG 2.200 . 2.800 1.610 1.473 1.911 0.127 4 0 "[ . 1 . 2 . 3 . ]" 1 820 1 40 THR MG 1 98 PRO HA 3.600 . 5.200 2.033 1.827 2.461 0.173 19 0 "[ . 1 . 2 . 3 . ]" 1 821 1 40 THR MG 1 50 LEU QD 2.400 . 3.100 2.226 2.169 2.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1 822 1 40 THR MG 1 90 THR MG 2.600 . 3.400 3.612 3.538 3.799 0.399 28 0 "[ . 1 . 2 . 3 . ]" 1 823 1 41 ARG H 1 41 ARG HB2 2.600 . 3.400 2.212 2.088 2.479 . 0 0 "[ . 1 . 2 . 3 . ]" 1 824 1 41 ARG H 1 41 ARG HB3 2.600 . 3.400 3.431 3.099 3.584 0.184 36 0 "[ . 1 . 2 . 3 . ]" 1 825 1 41 ARG H 1 41 ARG HG2 3.200 . 4.500 4.352 3.450 4.635 0.135 34 0 "[ . 1 . 2 . 3 . ]" 1 826 1 41 ARG H 1 42 VAL HA 3.100 . 4.300 3.377 3.243 3.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1 827 1 41 ARG H 1 45 VAL QG 3.400 . 4.800 3.750 2.990 4.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1 828 1 41 ARG H 1 50 LEU QD 2.600 . 3.400 1.997 1.752 3.290 0.048 22 0 "[ . 1 . 2 . 3 . ]" 1 829 1 41 ARG H 1 93 LEU QD 3.700 . 5.400 3.247 2.968 3.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1 830 1 41 ARG HA 1 41 ARG HB3 3.000 . 4.100 2.715 2.523 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 831 1 41 ARG HA 1 41 ARG HG2 3.100 . 4.300 2.653 2.507 3.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1 832 1 41 ARG HA 1 41 ARG HG2 3.000 . 4.100 2.638 2.496 3.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1 833 1 41 ARG HA 1 41 ARG HG2 2.600 . 3.400 2.623 2.490 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1 834 1 41 ARG HA 1 42 VAL H 2.300 . 3.000 2.261 2.133 2.559 . 0 0 "[ . 1 . 2 . 3 . ]" 1 835 1 41 ARG HA 1 42 VAL QG 2.500 . 3.300 3.239 3.110 3.445 0.145 4 0 "[ . 1 . 2 . 3 . ]" 1 836 1 41 ARG HA 1 93 LEU HA 2.700 . 3.600 2.207 1.722 2.430 0.078 9 0 "[ . 1 . 2 . 3 . ]" 1 837 1 41 ARG HA 1 93 LEU QD 2.600 . 3.400 2.029 1.805 2.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1 838 1 41 ARG HA 1 94 VAL QG 3.000 . 4.100 2.255 2.065 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1 839 1 41 ARG HA 1 108 ARG QD 3.100 . 4.300 3.823 3.501 4.379 0.079 19 0 "[ . 1 . 2 . 3 . ]" 1 840 1 41 ARG HA 1 108 ARG QG 3.200 . 4.500 4.521 4.195 4.637 0.137 38 0 "[ . 1 . 2 . 3 . ]" 1 841 1 41 ARG HB2 1 41 ARG QD 2.600 . 3.400 2.539 2.236 3.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1 842 1 41 ARG HB2 1 41 ARG QD 2.600 . 3.400 2.514 2.232 2.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1 843 1 41 ARG HB2 1 41 ARG HG2 2.600 . 3.400 2.975 2.880 3.007 . 0 0 "[ . 1 . 2 . 3 . ]" 1 844 1 41 ARG HB2 1 42 VAL H 3.400 . 4.800 3.915 2.986 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 845 1 41 ARG HB2 1 44 PHE HA 2.900 . 4.000 3.350 1.821 4.368 0.368 35 0 "[ . 1 . 2 . 3 . ]" 1 846 1 41 ARG HB2 1 44 PHE QB 2.500 . 3.300 2.758 1.900 3.458 0.158 31 0 "[ . 1 . 2 . 3 . ]" 1 847 1 41 ARG HB2 1 44 PHE QB 2.600 . 3.400 2.589 1.890 3.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1 848 1 41 ARG HB2 1 44 PHE QD 2.800 . 3.800 2.430 1.767 3.097 0.033 36 0 "[ . 1 . 2 . 3 . ]" 1 849 1 41 ARG HB2 1 45 VAL QG 2.800 . 3.800 2.823 1.936 3.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1 850 1 41 ARG HB2 1 50 LEU H 2.400 . 3.100 2.265 1.747 3.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1 851 1 41 ARG HB2 1 50 LEU HA 2.400 . 3.100 3.146 2.987 3.325 0.225 36 0 "[ . 1 . 2 . 3 . ]" 1 852 1 41 ARG HB2 1 50 LEU QD 2.700 . 3.600 2.082 1.763 3.428 0.037 16 0 "[ . 1 . 2 . 3 . ]" 1 853 1 41 ARG HB2 1 51 SER H 3.400 . 4.800 3.572 3.306 3.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1 854 1 41 ARG HB2 1 57 VAL MG2 2.900 . 4.000 3.470 3.256 3.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1 855 1 41 ARG HB3 1 41 ARG QD 2.500 . 3.300 3.036 2.608 3.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1 856 1 41 ARG HB3 1 41 ARG HG2 2.600 . 3.400 2.326 2.216 2.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1 857 1 41 ARG HB3 1 42 VAL H 3.100 . 4.300 2.905 2.066 3.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1 858 1 41 ARG HB3 1 42 VAL QG 2.700 . 3.600 3.252 2.961 3.649 0.049 11 0 "[ . 1 . 2 . 3 . ]" 1 859 1 41 ARG HB3 1 44 PHE QD 3.200 . 4.500 1.856 1.742 3.406 0.158 21 0 "[ . 1 . 2 . 3 . ]" 1 860 1 41 ARG HB3 1 50 LEU QD 3.100 . 4.300 3.398 3.008 4.500 0.200 36 0 "[ . 1 . 2 . 3 . ]" 1 861 1 41 ARG HB3 1 78 VAL QG 2.800 . 3.800 3.121 2.546 3.821 0.021 31 0 "[ . 1 . 2 . 3 . ]" 1 862 1 41 ARG HB3 1 81 VAL QG 3.000 . 4.100 3.396 3.137 3.775 . 0 0 "[ . 1 . 2 . 3 . ]" 1 863 1 41 ARG HB3 1 90 THR MG 2.800 . 3.800 3.809 3.648 4.270 0.470 34 0 "[ . 1 . 2 . 3 . ]" 1 864 1 41 ARG HB3 1 93 LEU QD 3.000 . 4.100 3.847 3.680 4.344 0.244 34 0 "[ . 1 . 2 . 3 . ]" 1 865 1 41 ARG HB3 1 94 VAL QG 3.600 . 5.200 5.193 4.983 5.277 0.077 37 0 "[ . 1 . 2 . 3 . ]" 1 866 1 41 ARG QD 1 41 ARG HG2 2.500 . 3.300 2.237 2.148 2.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 867 1 41 ARG QD 1 44 PHE QD 3.100 . 4.100 3.744 2.161 4.177 0.077 24 0 "[ . 1 . 2 . 3 . ]" 1 868 1 41 ARG QD 1 50 LEU H 2.900 . 4.000 3.685 3.312 4.043 0.043 13 0 "[ . 1 . 2 . 3 . ]" 1 869 1 41 ARG QD 1 50 LEU HB2 3.200 . 4.500 2.185 1.877 3.264 0.023 15 0 "[ . 1 . 2 . 3 . ]" 1 870 1 41 ARG QD 1 50 LEU HB3 2.900 . 4.000 2.346 1.848 3.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1 871 1 41 ARG QD 1 50 LEU QD 2.700 . 3.600 2.286 1.853 3.061 . 0 0 "[ . 1 . 2 . 3 . ]" 1 872 1 41 ARG QD 1 51 SER H 3.200 . 4.300 3.669 3.487 4.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1 873 1 41 ARG QD 1 57 VAL MG1 2.900 . 4.000 1.805 1.682 2.024 0.118 11 0 "[ . 1 . 2 . 3 . ]" 1 874 1 41 ARG QD 1 57 VAL MG2 2.700 . 3.600 1.846 1.763 2.128 0.037 8 0 "[ . 1 . 2 . 3 . ]" 1 875 1 41 ARG QD 1 57 VAL MG2 2.800 . 3.800 1.830 1.751 2.092 0.049 17 0 "[ . 1 . 2 . 3 . ]" 1 876 1 41 ARG QD 1 79 VAL QG 2.500 . 3.300 2.125 1.749 3.317 0.017 27 0 "[ . 1 . 2 . 3 . ]" 1 877 1 41 ARG QD 1 81 VAL QG 3.000 . 4.100 3.575 3.409 3.810 . 0 0 "[ . 1 . 2 . 3 . ]" 1 878 1 41 ARG QD 1 91 LEU QD . . 3.300 1.883 1.660 2.350 0.340 4 0 "[ . 1 . 2 . 3 . ]" 1 879 1 41 ARG HE 1 41 ARG HG2 2.800 . 3.800 3.527 3.028 4.113 0.313 4 0 "[ . 1 . 2 . 3 . ]" 1 880 1 41 ARG HE 1 44 PHE QD 3.100 . 4.300 2.938 2.127 4.219 . 0 0 "[ . 1 . 2 . 3 . ]" 1 881 1 41 ARG HE 1 51 SER H 2.800 . 3.800 3.834 2.529 4.094 0.294 11 0 "[ . 1 . 2 . 3 . ]" 1 882 1 41 ARG HE 1 54 ILE MD 3.300 . 4.700 4.062 3.484 4.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 883 1 41 ARG HE 1 54 ILE MD 4.000 . 6.000 4.968 4.736 5.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 884 1 41 ARG HE 1 55 LEU QD 3.700 . 5.400 4.234 2.835 4.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1 885 1 41 ARG HG2 1 42 VAL H 2.100 . 2.700 1.926 1.679 2.226 . 0 0 "[ . 1 . 2 . 3 . ]" 1 886 1 41 ARG HG2 1 42 VAL H 3.000 . 4.100 3.113 2.730 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1 887 1 41 ARG HG2 1 42 VAL H 2.900 . 4.000 3.321 2.859 3.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1 888 1 41 ARG HG2 1 44 PHE QD 3.000 . 4.100 3.534 2.744 3.868 . 0 0 "[ . 1 . 2 . 3 . ]" 1 889 1 41 ARG HG2 1 50 LEU QD 3.000 . 4.100 3.851 3.598 4.378 0.278 26 0 "[ . 1 . 2 . 3 . ]" 1 890 1 41 ARG HG2 1 81 VAL QG 3.300 . 4.700 2.648 1.920 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1 891 1 41 ARG HG2 1 94 VAL QG 3.000 . 4.100 3.237 1.945 3.709 . 0 0 "[ . 1 . 2 . 3 . ]" 1 892 1 41 ARG HG2 1 93 LEU H 2.700 . 3.600 3.662 3.094 3.779 0.179 36 0 "[ . 1 . 2 . 3 . ]" 1 893 1 41 ARG HG2 1 44 PHE QD 2.900 . 4.000 3.786 2.765 4.131 0.131 20 0 "[ . 1 . 2 . 3 . ]" 1 894 1 41 ARG HG2 1 57 VAL MG2 2.900 . 4.000 3.696 3.211 3.905 . 0 0 "[ . 1 . 2 . 3 . ]" 1 895 1 41 ARG HG2 1 57 VAL MG2 3.300 . 4.700 3.643 3.187 3.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1 896 1 41 ARG HG2 1 90 THR MG 2.400 . 3.100 2.308 1.835 2.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1 897 1 41 ARG HG2 1 91 LEU QD 2.400 . 3.100 2.035 1.837 2.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1 898 1 41 ARG HG2 1 91 LEU HG 2.600 . 3.400 2.500 1.982 2.844 . 0 0 "[ . 1 . 2 . 3 . ]" 1 899 1 41 ARG HG2 1 93 LEU HA 2.400 . 3.100 2.494 2.377 2.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1 900 1 41 ARG HG2 1 93 LEU QD 2.500 . 3.300 2.041 1.791 2.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1 901 1 42 VAL H 1 42 VAL HA 2.900 . 4.000 2.809 2.735 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 902 1 42 VAL H 1 42 VAL HA 2.800 . 3.800 2.669 2.580 2.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1 903 1 42 VAL H 1 42 VAL HB 2.200 . 2.800 2.611 2.471 2.773 . 0 0 "[ . 1 . 2 . 3 . ]" 1 904 1 42 VAL H 1 42 VAL QG 2.400 . 3.100 1.926 1.767 2.269 0.033 35 0 "[ . 1 . 2 . 3 . ]" 1 905 1 42 VAL H 1 44 PHE QD 3.000 . 4.100 3.101 2.423 3.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1 906 1 42 VAL H 1 45 VAL QG 3.100 . 4.300 2.988 2.464 3.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1 907 1 42 VAL H 1 50 LEU QD 3.400 . 4.800 4.117 3.879 4.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1 908 1 42 VAL H 1 94 VAL QG 3.200 . 4.500 3.111 2.267 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1 909 1 42 VAL H 1 102 ILE MD 4.000 . 6.000 3.767 3.143 4.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1 910 1 42 VAL H 1 90 THR MG 2.800 . 3.800 2.949 2.423 3.269 . 0 0 "[ . 1 . 2 . 3 . ]" 1 911 1 42 VAL H 1 92 GLU QG 2.600 . 3.400 2.252 1.711 3.173 0.089 29 0 "[ . 1 . 2 . 3 . ]" 1 912 1 42 VAL H 1 93 LEU HA 2.900 . 4.000 3.201 2.203 4.022 0.022 36 0 "[ . 1 . 2 . 3 . ]" 1 913 1 42 VAL HA 1 42 VAL HB 2.600 . 3.400 2.935 2.315 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 914 1 42 VAL HA 1 42 VAL HB 2.600 . 3.400 2.915 2.298 3.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1 915 1 42 VAL HA 1 42 VAL QG 2.700 . 3.100 2.179 2.110 2.451 . 0 0 "[ . 1 . 2 . 3 . ]" 1 916 1 42 VAL HA 1 42 VAL QG 2.300 . 3.000 2.119 2.012 2.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1 917 1 42 VAL HA 1 43 GLY H 2.300 . 3.000 2.190 2.153 2.288 . 0 0 "[ . 1 . 2 . 3 . ]" 1 918 1 42 VAL HA 1 43 GLY HA2 3.200 . 4.500 4.449 4.355 4.521 0.021 18 0 "[ . 1 . 2 . 3 . ]" 1 919 1 42 VAL HA 1 43 GLY HA3 3.400 . 4.800 4.426 4.328 4.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1 920 1 42 VAL HA 1 44 PHE H 2.800 . 3.800 2.527 2.102 2.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1 921 1 42 VAL HA 1 45 VAL QG 3.200 . 4.500 2.726 2.150 3.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1 922 1 42 VAL HA 1 47 LYS HD3 2.900 . 4.000 2.803 2.026 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1 923 1 42 VAL HA 1 45 VAL QG 3.000 . 4.100 3.045 2.237 3.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1 924 1 42 VAL HA 1 94 VAL QG 3.000 . 4.100 2.348 1.885 2.849 0.015 9 0 "[ . 1 . 2 . 3 . ]" 1 925 1 42 VAL HA 1 94 VAL QG 2.800 . 3.800 2.195 1.830 2.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1 926 1 42 VAL HA 1 102 ILE MD 2.900 . 4.000 3.030 2.419 3.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1 927 1 42 VAL HB 1 42 VAL QG 2.100 . 2.700 1.892 1.889 1.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 928 1 42 VAL HB 1 42 VAL QG 2.100 . 2.700 1.822 1.613 1.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1 929 1 42 VAL HB 1 44 PHE H 3.200 . 4.500 4.093 3.800 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1 930 1 42 VAL HB 1 102 ILE MD 3.300 . 4.700 2.780 2.071 3.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1 931 1 42 VAL QG 1 43 GLY H 2.700 . 3.600 2.430 2.041 3.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1 932 1 42 VAL QG 1 43 GLY H 2.600 . 3.400 2.095 1.789 2.297 0.011 7 0 "[ . 1 . 2 . 3 . ]" 1 933 1 42 VAL QG 1 43 GLY HA3 3.400 . 4.800 3.372 3.128 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1 934 1 42 VAL QG 1 44 PHE H 3.100 . 4.300 3.372 3.034 3.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1 935 1 42 VAL QG 1 44 PHE H 2.600 . 3.400 2.127 1.983 2.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1 936 1 42 VAL QG 1 44 PHE QD 3.400 . 4.800 3.165 2.355 3.693 . 0 0 "[ . 1 . 2 . 3 . ]" 1 937 1 42 VAL QG 1 93 LEU HA 3.400 . 4.800 2.911 2.277 3.359 . 0 0 "[ . 1 . 2 . 3 . ]" 1 938 1 42 VAL QG 1 56 GLU HG2 3.200 . 4.500 4.315 2.374 4.683 0.183 28 0 "[ . 1 . 2 . 3 . ]" 1 939 1 42 VAL QG 1 92 GLU QG 3.000 . 4.100 3.178 1.886 3.783 0.014 16 0 "[ . 1 . 2 . 3 . ]" 1 940 1 42 VAL QG 1 92 GLU QG 2.500 . 3.300 3.162 1.888 3.313 0.013 37 0 "[ . 1 . 2 . 3 . ]" 1 941 1 42 VAL QG 1 93 LEU HA 3.600 . 5.200 3.266 2.308 3.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1 942 1 42 VAL QG 1 94 VAL H 3.000 . 4.100 3.514 2.997 4.079 . 0 0 "[ . 1 . 2 . 3 . ]" 1 943 1 42 VAL QG 1 94 VAL H 3.300 . 4.700 2.198 1.705 2.500 0.195 22 0 "[ . 1 . 2 . 3 . ]" 1 944 1 42 VAL QG 1 94 VAL HB 2.100 . 2.700 1.786 1.606 1.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1 945 1 42 VAL QG 1 94 VAL MG1 2.100 . 2.700 1.897 1.742 2.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1 946 1 42 VAL QG 1 108 ARG QD 2.600 . 3.400 2.831 2.250 3.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1 947 1 42 VAL QG 1 108 ARG HE 3.200 . 4.500 4.422 4.147 4.503 0.003 10 0 "[ . 1 . 2 . 3 . ]" 1 948 1 42 VAL QG 1 102 ILE MG 2.400 . 3.100 1.995 1.872 2.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1 949 1 43 GLY H 1 43 GLY HA2 2.600 . 3.400 2.872 2.792 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 950 1 43 GLY H 1 43 GLY HA3 2.500 . 3.300 2.316 2.292 2.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1 951 1 43 GLY H 1 44 PHE H 2.500 . 3.300 2.639 2.404 3.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1 952 1 43 GLY H 1 45 VAL H 3.100 . 4.300 3.428 2.994 4.337 0.037 8 0 "[ . 1 . 2 . 3 . ]" 1 953 1 43 GLY H 1 45 VAL QG 3.100 . 4.300 3.115 2.408 4.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1 954 1 43 GLY H 1 94 VAL QG 3.500 . 5.000 3.739 2.892 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1 955 1 43 GLY H 1 102 ILE MD 3.100 . 4.300 2.316 1.876 2.606 0.024 21 0 "[ . 1 . 2 . 3 . ]" 1 956 1 43 GLY HA3 1 44 PHE H 2.900 . 4.000 3.254 3.027 3.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 957 1 44 PHE H 1 44 PHE HA 2.400 . 3.100 2.931 2.840 2.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1 958 1 44 PHE H 1 44 PHE QB 2.600 . 3.400 2.623 2.112 2.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1 959 1 44 PHE H 1 44 PHE QD 2.700 . 3.600 3.252 2.469 3.799 0.199 36 0 "[ . 1 . 2 . 3 . ]" 1 960 1 44 PHE H 1 45 VAL H 2.500 . 3.300 2.091 1.695 2.919 0.005 10 0 "[ . 1 . 2 . 3 . ]" 1 961 1 44 PHE H 1 45 VAL HA 3.700 . 5.400 4.343 4.123 5.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1 962 1 44 PHE H 1 81 VAL QG 3.400 . 4.800 3.967 3.544 4.200 . 0 0 "[ . 1 . 2 . 3 . ]" 1 963 1 44 PHE HA 1 44 PHE QB 2.600 . 3.400 2.341 2.132 2.396 . 0 0 "[ . 1 . 2 . 3 . ]" 1 964 1 44 PHE HA 1 44 PHE QD 3.000 . 4.100 2.431 1.875 3.229 0.025 4 0 "[ . 1 . 2 . 3 . ]" 1 965 1 44 PHE HA 1 45 VAL H 2.900 . 4.000 3.142 2.579 3.545 . 0 0 "[ . 1 . 2 . 3 . ]" 1 966 1 44 PHE HA 1 47 LYS QB 2.900 . 4.000 2.922 2.035 3.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1 967 1 44 PHE QB 1 44 PHE QD 2.600 . 3.000 2.155 2.113 2.302 . 0 0 "[ . 1 . 2 . 3 . ]" 1 968 1 44 PHE QB 1 47 LYS QB 3.200 . 4.100 2.714 2.114 3.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1 969 1 44 PHE QB 1 47 LYS QB 3.000 . 4.100 2.464 1.879 2.992 0.021 26 0 "[ . 1 . 2 . 3 . ]" 1 970 1 44 PHE QB 1 47 LYS QB 3.100 . 4.300 2.712 2.114 3.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1 971 1 44 PHE QB 1 50 LEU HA 3.000 . 4.100 2.181 1.861 2.988 0.039 36 0 "[ . 1 . 2 . 3 . ]" 1 972 1 44 PHE QB 1 50 LEU QD 2.600 . 3.400 1.772 1.573 2.076 0.227 4 0 "[ . 1 . 2 . 3 . ]" 1 973 1 44 PHE QB 1 50 LEU MD2 2.500 . 3.300 2.070 1.768 2.678 0.032 4 0 "[ . 1 . 2 . 3 . ]" 1 974 1 44 PHE QD 1 45 VAL H 3.100 . 4.300 4.437 3.311 4.610 0.310 7 0 "[ . 1 . 2 . 3 . ]" 1 975 1 44 PHE QD 1 47 LYS QB 3.200 . 4.500 3.616 2.548 4.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1 976 1 44 PHE QD 1 47 LYS HD2 3.400 . 4.800 2.768 1.811 4.905 0.189 18 0 "[ . 1 . 2 . 3 . ]" 1 977 1 44 PHE QD 1 50 LEU HA 2.800 . 3.800 3.076 2.726 3.843 0.043 28 0 "[ . 1 . 2 . 3 . ]" 1 978 1 44 PHE QD 1 50 LEU QD 3.200 . 4.500 3.390 2.360 3.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1 979 1 44 PHE QD 1 102 ILE MD 3.900 . 5.800 5.865 5.410 5.944 0.144 12 0 "[ . 1 . 2 . 3 . ]" 1 980 1 44 PHE HD1 1 98 PRO HG2 2.900 . 4.000 3.754 2.687 4.237 0.237 25 0 "[ . 1 . 2 . 3 . ]" 1 981 1 44 PHE QE 1 50 LEU H 3.300 . 4.700 4.750 4.426 4.873 0.173 26 0 "[ . 1 . 2 . 3 . ]" 1 982 1 45 VAL H 1 45 VAL HA 2.700 . 3.600 2.775 2.562 2.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1 983 1 45 VAL H 1 45 VAL HB 2.100 . 2.700 2.664 2.479 2.816 0.116 18 0 "[ . 1 . 2 . 3 . ]" 1 984 1 45 VAL H 1 45 VAL QG 2.400 . 3.100 1.861 1.648 2.463 0.052 17 0 "[ . 1 . 2 . 3 . ]" 1 985 1 45 VAL H 1 45 VAL QG 3.200 . 4.500 1.859 1.647 2.449 0.253 17 0 "[ . 1 . 2 . 3 . ]" 1 986 1 45 VAL H 1 45 VAL QG 3.000 . 4.100 1.859 1.647 2.450 0.253 17 0 "[ . 1 . 2 . 3 . ]" 1 987 1 45 VAL H 1 94 VAL QG 3.300 . 4.700 4.028 3.082 4.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1 988 1 45 VAL H 1 98 PRO HB3 2.900 . 4.000 3.987 3.581 4.129 0.129 18 0 "[ . 1 . 2 . 3 . ]" 1 989 1 45 VAL H 1 102 ILE MD 3.600 . 5.200 3.238 2.618 3.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1 990 1 45 VAL HA 1 45 VAL HB 2.900 . 4.000 2.760 2.360 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 991 1 45 VAL HA 1 45 VAL QG 2.700 . 3.600 2.240 2.152 2.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1 992 1 45 VAL HA 1 45 VAL QG 2.600 . 3.400 2.228 2.134 2.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1 993 1 45 VAL HA 1 46 GLY H 2.200 . 2.800 2.164 2.133 2.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1 994 1 45 VAL HA 1 46 GLY H 2.100 . 2.700 2.012 1.979 2.070 . 0 0 "[ . 1 . 2 . 3 . ]" 1 995 1 45 VAL HA 1 46 GLY HA2 3.400 . 4.800 4.403 4.382 4.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1 996 1 45 VAL HA 1 47 LYS H 3.100 . 4.300 3.717 3.195 4.368 0.068 36 0 "[ . 1 . 2 . 3 . ]" 1 997 1 45 VAL HB 1 96 THR MG 2.200 . 2.800 2.521 1.727 3.073 0.273 25 0 "[ . 1 . 2 . 3 . ]" 1 998 1 45 VAL HB 1 101 GLY H 3.200 . 4.500 3.773 1.921 4.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1 999 1 45 VAL MG1 1 45 VAL MG2 2.200 . 2.800 2.088 2.055 2.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1000 1 45 VAL QG 1 46 GLY H 3.300 . 4.700 2.870 2.414 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1001 1 45 VAL QG 1 46 GLY H 3.000 . 4.100 2.811 2.402 3.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1002 1 45 VAL QG 1 46 GLY HA2 3.400 . 4.800 3.391 3.015 3.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1003 1 45 VAL QG 1 83 PRO HD3 3.100 . 4.300 2.028 1.824 2.447 0.076 19 0 "[ . 1 . 2 . 3 . ]" 1 1004 1 45 VAL QG 1 97 ARG H 3.500 . 5.000 3.928 2.830 4.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1005 1 45 VAL QG 1 101 GLY HA2 4.400 . 6.000 4.978 3.366 5.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1006 1 45 VAL QG 1 101 GLY HA3 3.500 . 5.000 3.835 2.173 4.511 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1007 1 45 VAL QG 1 96 THR HB 3.000 . 4.100 2.442 1.857 3.070 0.043 30 0 "[ . 1 . 2 . 3 . ]" 1 1008 1 45 VAL QG 1 96 THR MG 2.800 . 3.800 1.733 1.545 2.466 0.255 12 0 "[ . 1 . 2 . 3 . ]" 1 1009 1 45 VAL QG 1 96 THR MG 2.500 . 3.300 1.718 1.538 2.333 0.162 33 0 "[ . 1 . 2 . 3 . ]" 1 1010 1 45 VAL QG 1 98 PRO HA 2.800 . 3.800 2.036 1.827 2.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1011 1 45 VAL QG 1 98 PRO HB3 2.800 . 3.800 2.551 1.766 3.763 0.034 8 0 "[ . 1 . 2 . 3 . ]" 1 1012 1 45 VAL QG 1 98 PRO QD 3.200 . 4.500 2.703 2.084 3.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1013 1 45 VAL QG 1 98 PRO HG3 3.400 . 4.800 2.364 1.928 4.468 0.072 2 0 "[ . 1 . 2 . 3 . ]" 1 1014 1 45 VAL QG 1 102 ILE H 2.700 . 3.600 3.251 2.820 3.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1015 1 45 VAL QG 1 102 ILE H 3.100 . 4.300 3.513 2.893 3.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1016 1 45 VAL QG 1 102 ILE MD 2.200 . 2.800 1.802 1.729 1.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1017 1 46 GLY H 1 46 GLY HA2 2.600 . 3.400 2.931 2.817 2.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1018 1 46 GLY H 1 46 GLY HA3 2.600 . 3.400 2.395 2.304 2.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1019 1 46 GLY H 1 47 LYS H 2.600 . 3.400 2.701 1.977 3.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1020 1 46 GLY H 1 47 LYS QB 3.100 . 4.300 3.471 2.260 3.918 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1021 1 46 GLY H 1 50 LEU QD 3.000 . 4.100 2.724 2.126 3.039 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1022 1 46 GLY HA2 1 47 LYS H 3.100 . 4.300 3.019 2.744 3.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1023 1 46 GLY HA3 1 47 LYS H 2.700 . 3.600 3.424 2.695 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1024 1 47 LYS H 1 47 LYS HA 2.800 . 3.800 2.826 2.773 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1025 1 47 LYS H 1 47 LYS QB 2.600 . 3.100 2.443 2.340 2.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1026 1 47 LYS H 1 47 LYS HG2 2.600 . 3.400 3.315 2.984 3.437 0.037 34 0 "[ . 1 . 2 . 3 . ]" 1 1027 1 47 LYS H 1 47 LYS HG3 2.500 . 3.300 2.234 1.708 3.654 0.354 6 0 "[ . 1 . 2 . 3 . ]" 1 1028 1 47 LYS HA 1 47 LYS QB 2.600 . 3.400 2.346 2.175 2.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1029 1 47 LYS HA 1 47 LYS QB 2.500 . 3.300 2.328 2.164 2.387 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1030 1 47 LYS HA 1 49 VAL H 2.600 . 3.400 3.444 3.271 3.488 0.088 25 0 "[ . 1 . 2 . 3 . ]" 1 1031 1 47 LYS QB 1 47 LYS HD2 2.300 . 3.000 2.132 1.885 2.273 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1032 1 47 LYS QB 1 47 LYS QE 3.000 . 4.100 3.200 1.912 3.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1033 1 47 LYS QB 1 48 ASP H 2.700 . 3.600 2.110 1.716 2.415 0.084 36 0 "[ . 1 . 2 . 3 . ]" 1 1034 1 47 LYS QB 1 48 ASP H 2.600 . 3.400 2.107 1.715 2.407 0.085 36 0 "[ . 1 . 2 . 3 . ]" 1 1035 1 47 LYS QB 1 49 VAL H 2.600 . 3.400 3.088 2.335 3.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1036 1 47 LYS QB 1 49 VAL H 2.100 . 2.700 2.535 2.234 2.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1037 1 47 LYS QB 1 50 LEU MD2 2.400 . 3.100 1.897 1.621 2.224 0.079 28 0 "[ . 1 . 2 . 3 . ]" 1 1038 1 47 LYS HG3 1 102 ILE MD 3.700 . 5.400 5.538 5.258 5.731 0.331 36 0 "[ . 1 . 2 . 3 . ]" 1 1039 1 48 ASP H 1 48 ASP HB2 2.400 . 3.100 2.385 2.182 3.002 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1040 1 48 ASP H 1 48 ASP HB3 2.500 . 3.300 3.402 2.523 3.620 0.320 36 0 "[ . 1 . 2 . 3 . ]" 1 1041 1 48 ASP H 1 49 VAL H 2.600 . 3.400 2.408 1.781 2.763 0.019 36 0 "[ . 1 . 2 . 3 . ]" 1 1042 1 48 ASP H 1 49 VAL QG 3.400 . 4.800 4.034 2.886 4.613 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1043 1 48 ASP HB2 1 49 VAL H 2.700 . 3.600 2.676 2.153 3.642 0.042 38 0 "[ . 1 . 2 . 3 . ]" 1 1044 1 48 ASP HB2 1 49 VAL QG 3.000 . 4.100 3.682 3.306 4.234 0.134 5 0 "[ . 1 . 2 . 3 . ]" 1 1045 1 48 ASP HB3 1 49 VAL H 2.700 . 3.600 3.033 2.159 3.665 0.065 24 0 "[ . 1 . 2 . 3 . ]" 1 1046 1 48 ASP HB3 1 49 VAL QG 3.000 . 4.100 3.631 2.559 3.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1047 1 49 VAL H 1 49 VAL HA 2.900 . 4.000 2.919 2.813 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1048 1 49 VAL H 1 49 VAL QG 3.000 . 3.400 2.342 1.781 3.205 0.119 20 0 "[ . 1 . 2 . 3 . ]" 1 1049 1 49 VAL H 1 50 LEU QD 3.600 . 5.200 4.242 3.650 4.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1050 1 49 VAL HA 1 49 VAL HB 2.400 . 3.100 2.683 2.376 3.016 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1051 1 49 VAL HA 1 49 VAL HB 2.500 . 3.300 2.409 2.162 2.689 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1052 1 49 VAL HA 1 49 VAL QG 2.600 . 2.800 2.205 2.086 2.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1053 1 49 VAL HA 1 50 LEU H 2.100 . 2.700 2.259 2.030 2.776 0.076 20 0 "[ . 1 . 2 . 3 . ]" 1 1054 1 49 VAL HA 1 51 SER H 2.900 . 4.000 3.361 3.256 3.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1055 1 49 VAL HA 1 50 LEU HG 2.600 . 3.400 3.409 3.261 3.577 0.177 36 0 "[ . 1 . 2 . 3 . ]" 1 1056 1 49 VAL HA 1 51 SER H 3.000 . 4.100 4.210 3.832 4.459 0.359 26 0 "[ . 1 . 2 . 3 . ]" 1 1057 1 49 VAL HB 1 49 VAL QG 2.200 . 2.800 1.895 1.891 1.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1058 1 49 VAL HB 1 57 VAL MG2 3.400 . 4.800 4.606 4.219 4.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1059 1 49 VAL QG 1 50 LEU H 2.700 . 3.600 2.452 1.776 3.313 0.024 20 0 "[ . 1 . 2 . 3 . ]" 1 1060 1 49 VAL QG 1 50 LEU HA 2.200 . 2.800 2.856 2.768 2.956 0.156 28 0 "[ . 1 . 2 . 3 . ]" 1 1061 1 49 VAL QG 1 51 SER H 2.400 . 3.100 2.538 2.149 2.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1062 1 49 VAL QG 1 51 SER HB2 3.400 . 4.800 3.842 2.518 4.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1063 1 49 VAL QG 1 51 SER HB2 3.100 . 4.300 3.578 2.510 4.150 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1064 1 49 VAL QG 1 51 SER HB3 3.000 . 4.100 3.257 1.948 4.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1065 1 49 VAL QG 1 51 SER HB3 2.600 . 3.400 2.014 1.671 3.421 0.129 21 0 "[ . 1 . 2 . 3 . ]" 1 1066 1 49 VAL QG 1 52 ASP HA 3.100 . 4.300 2.327 2.287 2.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1067 1 49 VAL QG 1 53 GLU QB 3.200 . 4.500 3.590 2.578 4.584 0.084 18 0 "[ . 1 . 2 . 3 . ]" 1 1068 1 50 LEU H 1 50 LEU HA 2.700 . 3.600 2.742 2.259 2.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1069 1 50 LEU H 1 50 LEU HB2 3.000 . 4.100 2.991 2.566 3.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1070 1 50 LEU H 1 50 LEU HB3 2.800 . 3.800 3.710 3.505 4.039 0.239 11 0 "[ . 1 . 2 . 3 . ]" 1 1071 1 50 LEU H 1 50 LEU QD 2.800 . 3.800 2.773 2.128 3.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1072 1 50 LEU H 1 50 LEU HG 2.400 . 3.100 2.269 1.748 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1073 1 50 LEU H 1 51 SER H 2.600 . 3.400 2.705 2.210 3.780 0.380 11 0 "[ . 1 . 2 . 3 . ]" 1 1074 1 50 LEU HA 1 50 LEU HB2 2.700 . 3.600 2.986 2.957 3.015 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1075 1 50 LEU HA 1 50 LEU HB3 2.400 . 3.100 2.330 2.282 2.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1076 1 50 LEU HA 1 50 LEU QD 2.500 . 3.100 2.287 2.089 2.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1077 1 50 LEU HA 1 50 LEU HG 3.000 . 4.100 3.361 3.109 3.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1078 1 50 LEU HA 1 51 SER H 3.100 . 4.300 3.537 3.489 3.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1079 1 50 LEU HA 1 57 VAL HB 3.200 . 4.500 4.461 4.122 4.627 0.127 7 0 "[ . 1 . 2 . 3 . ]" 1 1080 1 50 LEU HB2 1 50 LEU QD 2.500 . 3.300 2.280 2.203 2.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1081 1 50 LEU HB2 1 57 VAL MG2 2.900 . 4.000 3.890 3.264 4.221 0.221 28 0 "[ . 1 . 2 . 3 . ]" 1 1082 1 50 LEU HB2 1 55 LEU MD1 3.500 . 5.000 4.947 4.568 5.679 0.679 9 6 "[ *. +1* . 2 * .* 3 -. ]" 1 1083 1 50 LEU HB2 1 57 VAL HB 2.600 . 3.400 2.813 1.919 3.417 0.017 28 0 "[ . 1 . 2 . 3 . ]" 1 1084 1 50 LEU HB2 1 57 VAL MG1 3.100 . 4.300 3.094 2.528 3.963 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1085 1 50 LEU HB3 1 50 LEU QD 2.400 . 3.100 2.115 2.070 2.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1086 1 50 LEU HB3 1 81 VAL QG 2.900 . 4.000 2.990 2.440 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1087 1 50 LEU QD 1 51 SER H 3.800 . 5.600 3.697 3.350 3.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1088 1 50 LEU QD 1 57 VAL HB 2.800 . 3.800 3.615 2.878 4.035 0.235 28 0 "[ . 1 . 2 . 3 . ]" 1 1089 1 50 LEU QD 1 57 VAL MG1 2.800 . 3.800 2.422 1.818 3.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1090 1 50 LEU QD 1 60 LYS QG 3.500 . 5.000 5.066 4.865 5.159 0.159 28 0 "[ . 1 . 2 . 3 . ]" 1 1091 1 50 LEU QD 1 61 TYR QD 3.300 . 4.700 4.849 4.760 5.115 0.415 36 0 "[ . 1 . 2 . 3 . ]" 1 1092 1 50 LEU MD1 1 59 CYS H 2.600 . 3.400 2.984 1.921 3.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1093 1 50 LEU MD1 1 59 CYS H 3.000 . 4.100 3.510 1.933 4.078 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1094 1 50 LEU MD1 1 59 CYS HB2 2.900 . 4.000 2.593 1.956 3.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1095 1 50 LEU MD1 1 59 CYS HB3 2.700 . 3.600 2.059 1.755 3.140 0.045 23 0 "[ . 1 . 2 . 3 . ]" 1 1096 1 50 LEU HG 1 59 CYS H 2.900 . 4.000 4.023 3.212 4.393 0.393 9 0 "[ . 1 . 2 . 3 . ]" 1 1097 1 51 SER H 1 51 SER HA 2.600 . 3.400 2.747 2.708 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1098 1 51 SER H 1 51 SER HB2 2.500 . 3.300 3.258 2.379 3.558 0.258 32 0 "[ . 1 . 2 . 3 . ]" 1 1099 1 51 SER H 1 51 SER HB3 2.400 . 3.100 2.400 2.220 2.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1100 1 51 SER HA 1 51 SER HB2 2.400 . 3.100 2.163 1.896 2.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1101 1 51 SER HA 1 51 SER HB3 2.500 . 3.300 2.549 2.223 2.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1102 1 51 SER HA 1 52 ASP H 2.200 . 2.800 2.583 2.429 2.810 0.010 7 0 "[ . 1 . 2 . 3 . ]" 1 1103 1 51 SER HA 1 56 GLU H 3.100 . 4.300 3.178 1.937 4.351 0.051 21 0 "[ . 1 . 2 . 3 . ]" 1 1104 1 51 SER HA 1 57 VAL MG2 3.100 . 4.300 2.555 1.896 3.299 0.004 9 0 "[ . 1 . 2 . 3 . ]" 1 1105 1 51 SER HB2 1 52 ASP H 2.500 . 3.300 2.541 1.770 3.725 0.425 31 0 "[ . 1 . 2 . 3 . ]" 1 1106 1 51 SER HB2 1 52 ASP H 2.900 . 4.000 2.496 1.769 3.511 0.031 7 0 "[ . 1 . 2 . 3 . ]" 1 1107 1 51 SER HB2 1 57 VAL H 2.900 . 4.000 2.018 1.787 3.028 0.013 29 0 "[ . 1 . 2 . 3 . ]" 1 1108 1 51 SER HB3 1 52 ASP H 2.800 . 3.800 3.575 3.174 3.810 0.010 26 0 "[ . 1 . 2 . 3 . ]" 1 1109 1 51 SER HB3 1 57 VAL H 3.200 . 4.500 2.264 1.833 3.537 0.067 29 0 "[ . 1 . 2 . 3 . ]" 1 1110 1 52 ASP H 1 54 ILE H 3.500 . 5.000 3.970 3.589 4.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1111 1 52 ASP H 1 57 VAL MG2 3.300 . 4.700 3.961 3.364 4.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1112 1 52 ASP H 1 84 ARG QD 3.200 . 4.500 4.418 4.087 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1113 1 52 ASP HA 1 52 ASP HB2 2.700 . 3.600 2.974 2.669 3.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1114 1 52 ASP HA 1 52 ASP HB3 2.700 . 3.600 2.605 2.523 2.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1115 1 52 ASP HA 1 53 GLU H 2.700 . 3.600 3.487 2.816 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1116 1 52 ASP HA 1 53 GLU QG 3.400 . 4.800 4.861 4.828 4.898 0.098 6 0 "[ . 1 . 2 . 3 . ]" 1 1117 1 52 ASP HB2 1 53 GLU H 2.400 . 3.100 2.127 1.886 3.151 0.051 7 0 "[ . 1 . 2 . 3 . ]" 1 1118 1 52 ASP HB2 1 54 ILE H 3.500 . 5.000 3.350 2.860 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1119 1 52 ASP HB3 1 53 GLU H 2.300 . 3.000 2.281 1.583 2.593 0.017 4 0 "[ . 1 . 2 . 3 . ]" 1 1120 1 52 ASP HB3 1 53 GLU HA 3.600 . 5.200 4.427 4.192 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1121 1 52 ASP HB3 1 53 GLU QB 2.600 . 3.400 3.505 3.415 3.683 0.283 4 0 "[ . 1 . 2 . 3 . ]" 1 1122 1 52 ASP HB3 1 53 GLU QG 3.000 . 4.100 2.958 2.608 3.106 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1123 1 52 ASP HB3 1 54 ILE H 3.100 . 4.300 3.883 2.908 4.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1124 1 53 GLU H 1 53 GLU HA 2.800 . 3.800 2.934 2.854 2.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1125 1 53 GLU H 1 53 GLU QB 2.200 . 2.800 2.952 2.319 3.009 0.209 7 0 "[ . 1 . 2 . 3 . ]" 1 1126 1 53 GLU H 1 53 GLU QG 2.600 . 3.400 2.240 2.156 2.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1127 1 53 GLU H 1 54 ILE H 2.800 . 3.800 1.819 1.727 2.450 0.073 7 0 "[ . 1 . 2 . 3 . ]" 1 1128 1 53 GLU HA 1 53 GLU QB 2.100 . 2.700 2.177 2.173 2.180 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1129 1 53 GLU HA 1 53 GLU QG 2.600 . 3.400 3.334 3.316 3.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1130 1 53 GLU HA 1 54 ILE H 3.000 . 4.100 3.496 3.475 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1131 1 53 GLU HA 1 84 ARG QD 3.100 . 4.300 2.582 2.111 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1132 1 53 GLU HA 1 85 LYS QE 2.900 . 4.000 3.984 3.371 4.054 0.054 10 0 "[ . 1 . 2 . 3 . ]" 1 1133 1 53 GLU QB 1 53 GLU QG 1.900 . 2.400 2.085 2.080 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1134 1 53 GLU QB 1 53 GLU QG 1.300 . 2.200 1.794 1.600 1.848 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1135 1 53 GLU QB 1 54 ILE H 2.700 . 3.600 3.488 3.352 3.608 0.008 7 0 "[ . 1 . 2 . 3 . ]" 1 1136 1 53 GLU QB 1 54 ILE H 3.000 . 4.100 3.450 3.322 3.524 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1137 1 53 GLU QB 1 54 ILE HA 2.600 . 3.400 3.625 3.426 3.815 0.415 27 0 "[ . 1 . 2 . 3 . ]" 1 1138 1 53 GLU QB 1 54 ILE MD 2.900 . 4.000 3.850 3.714 4.009 0.009 15 0 "[ . 1 . 2 . 3 . ]" 1 1139 1 53 GLU QB 1 85 LYS QE 2.900 . 4.000 2.629 2.219 2.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1140 1 53 GLU QG 1 54 ILE H 3.000 . 4.100 2.235 1.993 2.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1141 1 53 GLU QG 1 54 ILE MD 3.200 . 4.500 2.283 1.974 2.503 0.026 7 0 "[ . 1 . 2 . 3 . ]" 1 1142 1 53 GLU QG 1 54 ILE HG12 3.200 . 4.300 2.232 2.095 2.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1143 1 53 GLU QG 1 54 ILE HG13 2.700 . 3.600 3.664 3.553 3.946 0.346 7 0 "[ . 1 . 2 . 3 . ]" 1 1144 1 53 GLU QG 1 54 ILE HG13 2.500 . 3.300 2.559 2.205 3.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1145 1 53 GLU QG 1 84 ARG QD 3.100 . 4.300 4.343 4.201 4.460 0.160 5 0 "[ . 1 . 2 . 3 . ]" 1 1146 1 53 GLU QG 1 85 LYS QE 2.600 . 3.400 2.552 1.863 3.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1147 1 54 ILE H 1 54 ILE HA 2.800 . 3.800 2.846 2.796 2.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1148 1 54 ILE H 1 54 ILE HB 2.300 . 3.000 2.616 2.549 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1149 1 54 ILE H 1 54 ILE MD 3.400 . 4.800 3.130 2.819 3.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1150 1 54 ILE H 1 54 ILE HG12 2.500 . 3.300 1.906 1.787 1.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1151 1 54 ILE H 1 54 ILE HG13 2.600 . 3.400 3.421 3.359 3.464 0.064 6 0 "[ . 1 . 2 . 3 . ]" 1 1152 1 54 ILE H 1 54 ILE HG13 2.600 . 3.400 3.346 3.269 3.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1153 1 54 ILE H 1 54 ILE MG 3.200 . 4.500 3.759 3.745 3.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1154 1 54 ILE H 1 55 LEU H 2.400 . 3.100 3.015 2.857 3.157 0.057 36 0 "[ . 1 . 2 . 3 . ]" 1 1155 1 54 ILE HA 1 54 ILE HB 2.800 . 3.800 3.014 2.999 3.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1156 1 54 ILE HA 1 54 ILE HB 2.200 . 2.800 2.511 2.194 2.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1157 1 54 ILE HA 1 54 ILE MD 2.800 . 3.800 2.125 2.015 2.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1158 1 54 ILE HA 1 54 ILE HG12 2.600 . 3.400 3.098 3.006 3.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1159 1 54 ILE HA 1 54 ILE HG13 2.900 . 4.000 3.791 3.702 3.830 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1160 1 54 ILE HA 1 54 ILE HG13 2.300 . 3.000 2.533 2.339 2.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1161 1 54 ILE HA 1 54 ILE MG 2.700 . 3.600 2.308 2.262 2.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1162 1 54 ILE HA 1 55 LEU H 3.300 . 4.700 3.536 3.494 3.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1163 1 54 ILE HA 1 55 LEU QD 3.700 . 5.400 4.993 3.886 5.565 0.165 21 0 "[ . 1 . 2 . 3 . ]" 1 1164 1 54 ILE HA 1 84 ARG HB2 3.200 . 4.500 3.802 3.541 4.188 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1165 1 54 ILE HA 1 84 ARG HB3 3.100 . 4.300 4.088 3.732 4.558 0.258 31 0 "[ . 1 . 2 . 3 . ]" 1 1166 1 54 ILE HA 1 85 LYS HB2 3.100 . 4.300 3.406 2.880 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1167 1 54 ILE HA 1 85 LYS QE 3.200 . 4.500 2.906 1.901 3.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1168 1 54 ILE HA 1 85 LYS QG 2.500 . 3.300 2.679 2.442 3.435 0.135 22 0 "[ . 1 . 2 . 3 . ]" 1 1169 1 54 ILE HB 1 54 ILE MD 2.500 . 3.300 3.183 3.052 3.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1170 1 54 ILE HB 1 54 ILE MD 2.300 . 3.000 2.147 1.879 3.160 0.160 22 0 "[ . 1 . 2 . 3 . ]" 1 1171 1 54 ILE HB 1 54 ILE HG12 2.400 . 3.100 2.487 2.419 2.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1172 1 54 ILE HB 1 54 ILE HG13 2.200 . 2.800 2.378 2.270 2.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1173 1 54 ILE HB 1 54 ILE MG 2.300 . 3.000 2.125 2.122 2.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1174 1 54 ILE HB 1 54 ILE MG 2.400 . 3.100 2.099 2.048 2.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1175 1 54 ILE HB 1 55 LEU H 2.400 . 3.100 1.775 1.641 2.124 0.059 21 0 "[ . 1 . 2 . 3 . ]" 1 1176 1 54 ILE HB 1 55 LEU QD 3.100 . 4.300 2.520 2.111 3.100 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1177 1 54 ILE HB 1 55 LEU QD 2.800 . 3.800 2.875 2.221 3.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1178 1 54 ILE MD 1 54 ILE HG12 2.400 . 3.100 2.118 2.117 2.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1179 1 54 ILE MD 1 54 ILE HG13 2.300 . 3.000 2.121 2.113 2.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1180 1 54 ILE MD 1 54 ILE MG 2.600 . 3.400 1.992 1.969 2.051 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1181 1 54 ILE MD 1 56 GLU H 2.900 . 4.000 3.185 2.559 3.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1182 1 54 ILE MD 1 89 HIS HB3 2.700 . 3.600 2.087 1.871 2.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1183 1 54 ILE MD 1 89 HIS HD2 3.400 . 4.800 2.976 1.981 4.333 0.019 18 0 "[ . 1 . 2 . 3 . ]" 1 1184 1 54 ILE MD 1 84 ARG QD 3.600 . 5.200 4.907 4.427 5.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1185 1 54 ILE MD 1 85 LYS HB2 3.300 . 4.700 3.711 3.481 3.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1186 1 54 ILE MD 1 85 LYS QE 3.200 . 4.500 2.565 1.958 2.890 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1187 1 54 ILE HG12 1 54 ILE MG 2.700 . 3.600 3.204 3.201 3.208 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1188 1 54 ILE HG12 1 55 LEU H 3.300 . 4.700 3.840 3.672 4.031 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1189 1 54 ILE HG12 1 85 LYS QE 3.200 . 4.500 4.168 3.504 4.506 0.006 27 0 "[ . 1 . 2 . 3 . ]" 1 1190 1 54 ILE HG13 1 54 ILE MG 2.600 . 3.400 2.400 2.327 2.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1191 1 54 ILE HG13 1 54 ILE MG 2.200 . 2.800 2.123 1.811 2.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1192 1 54 ILE HG13 1 55 LEU H 2.900 . 4.000 4.160 4.032 4.503 0.503 15 1 "[ . 1 + 2 . 3 . ]" 1 1193 1 54 ILE HG13 1 55 LEU H 2.400 . 3.100 3.185 2.558 3.759 0.659 7 2 "[ . + 1 . 2 . - 3 . ]" 1 1194 1 54 ILE MG 1 55 LEU H 3.100 . 4.300 2.813 2.510 3.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1195 1 54 ILE MG 1 55 LEU HA 3.600 . 5.200 3.641 3.451 3.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1196 1 54 ILE MG 1 55 LEU QD 2.800 . 3.800 3.119 2.180 3.802 0.002 7 0 "[ . 1 . 2 . 3 . ]" 1 1197 1 54 ILE MG 1 55 LEU HG 2.700 . 3.600 2.596 1.890 3.679 0.079 7 0 "[ . 1 . 2 . 3 . ]" 1 1198 1 54 ILE MG 1 83 PRO HB2 3.100 . 4.300 4.217 3.789 4.368 0.068 14 0 "[ . 1 . 2 . 3 . ]" 1 1199 1 54 ILE MG 1 85 LYS H 3.300 . 4.700 3.903 3.806 4.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1200 1 54 ILE MG 1 85 LYS HB2 3.300 . 4.700 3.241 2.844 3.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1201 1 54 ILE MG 1 85 LYS HB3 3.400 . 4.800 4.663 3.964 4.870 0.070 14 0 "[ . 1 . 2 . 3 . ]" 1 1202 1 54 ILE MG 1 85 LYS QG 2.900 . 4.000 3.868 3.630 4.012 0.012 20 0 "[ . 1 . 2 . 3 . ]" 1 1203 1 54 ILE MG 1 89 HIS HB2 3.500 . 5.000 3.931 3.516 4.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1204 1 54 ILE MG 1 89 HIS HB3 3.100 . 4.300 2.781 2.201 3.613 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1205 1 55 LEU H 1 55 LEU HB2 2.300 . 3.000 2.349 2.214 2.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1206 1 55 LEU H 1 55 LEU HB3 3.100 . 4.300 3.502 3.053 3.830 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1207 1 55 LEU H 1 55 LEU QD 3.000 . 4.100 3.555 3.176 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1208 1 55 LEU H 1 57 VAL MG2 3.700 . 5.400 3.989 3.550 4.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1209 1 55 LEU HA 1 55 LEU HB3 2.900 . 4.000 2.651 2.384 2.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1210 1 55 LEU HA 1 55 LEU QD 2.600 . 3.400 2.054 1.941 2.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1211 1 55 LEU HA 1 55 LEU HG 3.300 . 4.700 2.749 2.489 3.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1212 1 55 LEU HA 1 56 GLU H 2.400 . 3.100 2.171 2.155 2.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1213 1 55 LEU HB2 1 55 LEU QD 2.300 . 3.000 2.238 2.159 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1214 1 55 LEU HB2 1 56 GLU H 2.800 . 3.800 3.059 2.678 3.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1215 1 55 LEU HB2 1 57 VAL H 2.800 . 3.800 2.707 2.578 3.015 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1216 1 55 LEU HB2 1 57 VAL MG2 2.100 . 2.700 2.037 1.851 2.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1217 1 55 LEU HB2 1 84 ARG H 2.500 . 3.300 3.235 2.763 3.373 0.073 33 0 "[ . 1 . 2 . 3 . ]" 1 1218 1 55 LEU HB3 1 55 LEU QD 2.100 . 2.700 2.071 1.999 2.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1219 1 55 LEU HB3 1 55 LEU HG 2.900 . 4.000 2.855 2.731 2.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1220 1 55 LEU HB3 1 56 GLU H 2.900 . 4.000 3.649 3.146 4.063 0.063 21 0 "[ . 1 . 2 . 3 . ]" 1 1221 1 55 LEU HB3 1 56 GLU H 2.900 . 4.000 3.304 3.041 3.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1222 1 55 LEU QD 1 56 GLU H 3.000 . 4.100 3.138 2.553 3.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1223 1 55 LEU QD 1 81 VAL H 2.700 . 3.600 3.047 2.322 3.479 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1224 1 55 LEU QD 1 81 VAL QG 2.300 . 3.000 1.779 1.583 2.080 0.017 21 0 "[ . 1 . 2 . 3 . ]" 1 1225 1 55 LEU QD 1 82 LYS QG 2.500 . 3.300 2.526 2.003 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1226 1 55 LEU QD 1 83 PRO HB2 2.900 . 4.000 3.346 3.073 3.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1227 1 55 LEU QD 1 83 PRO HB3 2.600 . 3.400 2.724 2.260 3.288 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1228 1 55 LEU QD 1 83 PRO HD2 3.200 . 4.500 2.845 2.036 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1229 1 55 LEU QD 1 84 ARG H 3.100 . 4.300 3.077 2.324 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1230 1 55 LEU QD 1 89 HIS HB2 3.000 . 4.100 2.689 2.065 3.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1231 1 55 LEU QD 1 89 HIS HB2 2.500 . 3.300 2.643 2.057 2.978 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1232 1 55 LEU QD 1 89 HIS HB2 3.300 . 4.700 2.523 1.995 2.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1233 1 55 LEU QD 1 89 HIS HB3 3.100 . 4.300 2.094 1.873 2.493 0.027 15 0 "[ . 1 . 2 . 3 . ]" 1 1234 1 55 LEU QD 1 89 HIS HD2 3.700 . 5.400 3.027 1.982 4.831 0.018 18 0 "[ . 1 . 2 . 3 . ]" 1 1235 1 55 LEU QD 1 90 THR H 3.200 . 4.500 2.204 1.897 3.305 0.003 37 0 "[ . 1 . 2 . 3 . ]" 1 1236 1 55 LEU QD 1 90 THR H 3.300 . 4.700 2.166 1.892 3.071 0.008 37 0 "[ . 1 . 2 . 3 . ]" 1 1237 1 55 LEU QD 1 111 LEU HG 3.200 . 4.500 4.362 3.521 4.548 0.048 33 0 "[ . 1 . 2 . 3 . ]" 1 1238 1 55 LEU MD1 1 91 LEU H 2.800 . 3.800 2.079 1.864 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1239 1 55 LEU MD1 1 92 GLU H 2.500 . 3.300 3.044 2.455 3.311 0.011 33 0 "[ . 1 . 2 . 3 . ]" 1 1240 1 55 LEU MD2 1 83 PRO HB3 2.600 . 3.400 2.705 2.260 3.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1241 1 55 LEU HG 1 81 VAL QG 2.800 . 3.800 3.559 3.122 3.864 0.064 15 0 "[ . 1 . 2 . 3 . ]" 1 1242 1 56 GLU H 1 56 GLU HA 2.300 . 3.000 2.270 2.156 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1243 1 56 GLU H 1 56 GLU HB2 2.600 . 3.400 2.122 2.013 2.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1244 1 56 GLU H 1 56 GLU HB3 2.600 . 3.400 3.277 2.664 3.394 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1245 1 56 GLU H 1 56 GLU HB3 2.600 . 3.400 3.091 2.643 3.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1246 1 56 GLU H 1 56 GLU HG2 2.500 . 3.300 3.351 2.522 3.855 0.555 24 3 "[ . 1 . 2 +. *3- . ]" 1 1247 1 56 GLU H 1 56 GLU HG3 2.700 . 3.600 3.716 2.971 3.986 0.386 7 0 "[ . 1 . 2 . 3 . ]" 1 1248 1 56 GLU H 1 57 VAL MG1 3.300 . 4.700 3.415 3.194 3.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1249 1 56 GLU H 1 82 LYS HB3 3.200 . 4.500 4.139 3.938 4.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1250 1 56 GLU H 1 82 LYS H 2.800 . 3.800 3.486 3.270 3.896 0.096 7 0 "[ . 1 . 2 . 3 . ]" 1 1251 1 56 GLU H 1 84 ARG HA 3.100 . 4.300 4.315 3.791 4.433 0.133 20 0 "[ . 1 . 2 . 3 . ]" 1 1252 1 56 GLU H 1 84 ARG QG 2.800 . 3.800 3.233 2.735 3.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1253 1 56 GLU HA 1 56 GLU HB2 2.600 . 3.400 2.150 2.001 2.442 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1254 1 56 GLU HA 1 56 GLU HB3 2.500 . 3.300 2.814 2.751 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1255 1 56 GLU HA 1 56 GLU HB3 2.800 . 3.800 2.633 2.218 2.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1256 1 56 GLU HA 1 56 GLU HG2 2.700 . 3.600 2.261 2.038 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1257 1 56 GLU HA 1 56 GLU HG3 2.900 . 4.000 3.349 2.285 3.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1258 1 56 GLU HA 1 57 VAL H 2.300 . 3.000 2.390 2.236 2.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1259 1 56 GLU HB2 1 82 LYS H 2.900 . 4.000 3.478 3.259 4.020 0.020 7 0 "[ . 1 . 2 . 3 . ]" 1 1260 1 56 GLU HB2 1 84 ARG QD 2.800 . 3.800 2.265 2.016 3.177 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1261 1 56 GLU HB2 1 82 LYS HB2 2.500 . 3.300 2.633 2.306 3.415 0.115 27 0 "[ . 1 . 2 . 3 . ]" 1 1262 1 56 GLU HB2 1 82 LYS HB2 2.300 . 3.000 2.175 1.616 2.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1263 1 56 GLU HB2 1 82 LYS HB3 2.600 . 3.400 2.950 2.720 3.495 0.095 21 0 "[ . 1 . 2 . 3 . ]" 1 1264 1 56 GLU HB2 1 84 ARG H 3.200 . 4.500 3.523 3.223 3.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1265 1 56 GLU HB2 1 84 ARG QD 2.800 . 3.800 3.588 2.524 3.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1266 1 56 GLU HB3 1 57 VAL H 3.000 . 4.100 3.974 2.914 4.115 0.015 22 0 "[ . 1 . 2 . 3 . ]" 1 1267 1 56 GLU HB3 1 60 LYS H 2.700 . 3.600 3.222 2.462 3.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1268 1 56 GLU HB3 1 82 LYS HB2 2.500 . 3.300 2.159 1.691 2.437 0.009 31 0 "[ . 1 . 2 . 3 . ]" 1 1269 1 56 GLU HB3 1 82 LYS HB3 2.500 . 3.300 3.108 2.360 3.347 0.047 23 0 "[ . 1 . 2 . 3 . ]" 1 1270 1 56 GLU HG2 1 57 VAL HB 2.500 . 3.300 2.863 2.551 3.860 0.560 32 4 "[ . 1 . 2 . * -3*+ . ]" 1 1271 1 56 GLU HG2 1 84 ARG QD 3.200 . 4.500 2.428 2.022 4.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1272 1 56 GLU HG3 1 82 LYS HB2 2.800 . 3.800 2.229 1.889 3.549 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1273 1 56 GLU HG3 1 82 LYS HB3 3.000 . 4.100 4.221 4.034 4.898 0.798 31 5 "[ . 1 . 2 *. * *3+- . ]" 1 1274 1 56 GLU HG3 1 82 LYS HB3 2.800 . 3.800 2.247 1.889 3.709 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1275 1 56 GLU HG3 1 84 ARG QD 2.400 . 3.000 2.322 2.034 2.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1276 1 56 GLU HG3 1 84 ARG QG 2.000 . 2.500 1.969 1.810 2.283 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1277 1 57 VAL H 1 57 VAL HA 2.900 . 4.000 2.866 2.835 2.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1278 1 57 VAL H 1 57 VAL HB 2.800 . 3.800 2.739 2.587 3.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1279 1 57 VAL H 1 57 VAL MG2 2.900 . 4.000 2.128 1.788 2.963 0.012 23 0 "[ . 1 . 2 . 3 . ]" 1 1280 1 57 VAL HA 1 57 VAL HB 3.000 . 4.100 3.002 2.931 3.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1281 1 57 VAL HA 1 57 VAL MG1 2.600 . 3.400 2.258 2.068 2.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1282 1 57 VAL HA 1 57 VAL MG2 2.800 . 3.800 2.478 2.374 2.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1283 1 57 VAL HA 1 58 VAL H 2.300 . 3.000 2.274 2.136 2.336 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1284 1 57 VAL HA 1 81 VAL HA 3.000 . 4.100 2.091 1.865 2.419 0.035 28 0 "[ . 1 . 2 . 3 . ]" 1 1285 1 57 VAL HA 1 81 VAL QG 3.100 . 4.300 2.777 2.534 3.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1286 1 57 VAL HB 1 57 VAL MG1 2.000 . 2.500 2.120 2.109 2.125 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1287 1 57 VAL MG1 1 58 VAL H 2.700 . 3.600 3.470 2.448 3.603 0.003 10 0 "[ . 1 . 2 . 3 . ]" 1 1288 1 57 VAL MG1 1 58 VAL H 2.600 . 3.400 3.357 2.420 3.473 0.073 10 0 "[ . 1 . 2 . 3 . ]" 1 1289 1 57 VAL MG1 1 58 VAL HA 2.900 . 4.000 4.056 3.495 4.207 0.207 9 0 "[ . 1 . 2 . 3 . ]" 1 1290 1 57 VAL MG1 1 59 CYS HB2 2.700 . 3.600 2.020 1.740 3.642 0.060 23 0 "[ . 1 . 2 . 3 . ]" 1 1291 1 57 VAL MG1 1 59 CYS HB3 2.900 . 4.000 2.966 2.618 3.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1292 1 57 VAL MG1 1 80 LEU H 2.600 . 3.400 2.704 2.585 3.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1293 1 57 VAL MG1 1 93 LEU HA 3.400 . 4.800 1.981 1.893 2.534 0.107 6 0 "[ . 1 . 2 . 3 . ]" 1 1294 1 57 VAL MG1 1 91 LEU QD 2.300 . 3.000 1.515 1.416 1.661 0.184 36 0 "[ . 1 . 2 . 3 . ]" 1 1295 1 57 VAL MG2 1 58 VAL H 3.200 . 4.500 4.342 4.092 4.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1296 1 57 VAL MG2 1 60 LYS H 3.400 . 4.800 3.861 3.458 4.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1297 1 57 VAL MG2 1 81 VAL QG 2.400 . 3.100 1.652 1.546 1.776 0.154 23 0 "[ . 1 . 2 . 3 . ]" 1 1298 1 57 VAL MG2 1 81 VAL HA 3.400 . 4.800 2.885 2.670 3.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1299 1 57 VAL MG2 1 81 VAL QG 2.200 . 2.800 1.672 1.555 1.869 0.045 9 0 "[ . 1 . 2 . 3 . ]" 1 1300 1 58 VAL H 1 58 VAL HA 2.600 . 3.400 2.889 2.857 2.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1301 1 58 VAL H 1 58 VAL HB 2.400 . 3.100 2.617 2.575 2.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1302 1 58 VAL H 1 58 VAL QG 2.800 . 3.800 2.135 1.987 2.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1303 1 58 VAL H 1 59 CYS H 3.300 . 4.700 3.945 3.556 4.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1304 1 58 VAL H 1 79 VAL HB 3.000 . 4.100 3.788 3.601 3.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1305 1 58 VAL H 1 79 VAL MG1 3.200 . 4.500 4.476 3.604 4.633 0.133 22 0 "[ . 1 . 2 . 3 . ]" 1 1306 1 58 VAL H 1 80 LEU H 2.900 . 4.000 3.550 2.324 3.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1307 1 58 VAL H 1 80 LEU HB2 3.300 . 4.700 2.946 2.623 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1308 1 58 VAL H 1 80 LEU HB3 3.100 . 4.300 3.804 3.611 3.999 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1309 1 58 VAL HA 1 58 VAL HB 2.700 . 3.600 3.012 3.005 3.016 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1310 1 58 VAL HA 1 58 VAL QG 2.300 . 3.000 2.141 2.130 2.148 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1311 1 58 VAL HA 1 59 CYS H 2.100 . 2.700 2.236 2.185 2.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1312 1 58 VAL HA 1 78 VAL QG 2.500 . 3.300 2.181 2.098 2.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1313 1 58 VAL HB 1 58 VAL QG 2.100 . 2.700 1.897 1.895 1.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1314 1 58 VAL HB 1 59 CYS H 3.100 . 4.300 4.372 4.343 4.394 0.094 28 0 "[ . 1 . 2 . 3 . ]" 1 1315 1 58 VAL HB 1 78 VAL QG 2.900 . 4.000 2.684 2.281 3.125 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1316 1 58 VAL HB 1 80 LEU H 2.800 . 3.800 3.722 3.249 3.942 0.142 4 0 "[ . 1 . 2 . 3 . ]" 1 1317 1 58 VAL HB 1 80 LEU HB2 2.500 . 3.300 1.908 1.688 2.106 0.012 21 0 "[ . 1 . 2 . 3 . ]" 1 1318 1 58 VAL HB 1 80 LEU HB3 2.400 . 3.100 3.150 2.962 3.236 0.136 4 0 "[ . 1 . 2 . 3 . ]" 1 1319 1 58 VAL HB 1 80 LEU QD 2.700 . 3.600 2.692 2.284 3.150 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1320 1 58 VAL QG 1 59 CYS H 2.400 . 3.100 3.333 3.232 3.410 0.310 7 0 "[ . 1 . 2 . 3 . ]" 1 1321 1 58 VAL QG 1 59 CYS HA 3.800 . 5.600 3.989 3.774 4.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1322 1 58 VAL QG 1 60 LYS H 3.300 . 4.700 3.851 3.359 4.182 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1323 1 58 VAL QG 1 60 LYS QE 2.900 . 4.000 2.945 1.816 4.062 0.062 9 0 "[ . 1 . 2 . 3 . ]" 1 1324 1 58 VAL QG 1 60 LYS QG 2.500 . 3.300 2.868 2.211 3.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1325 1 58 VAL QG 1 80 LEU QD 2.300 . 3.000 2.056 1.983 2.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1326 1 59 CYS H 1 59 CYS HA 3.000 . 4.100 2.916 2.834 2.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1327 1 59 CYS H 1 59 CYS HA 3.000 . 4.100 2.886 2.819 2.914 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1328 1 59 CYS H 1 59 CYS HB2 2.600 . 3.400 2.972 2.662 3.581 0.181 27 0 "[ . 1 . 2 . 3 . ]" 1 1329 1 59 CYS H 1 59 CYS HB3 2.400 . 3.100 2.441 2.365 2.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1330 1 59 CYS HA 1 59 CYS HB2 2.700 . 3.600 2.397 2.332 2.473 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1331 1 59 CYS HA 1 59 CYS HB3 2.700 . 3.600 3.000 2.437 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1332 1 59 CYS HA 1 60 LYS H 2.200 . 2.800 2.174 2.104 2.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1333 1 59 CYS HA 1 79 VAL HA 2.700 . 3.600 2.163 1.840 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1334 1 59 CYS HA 1 79 VAL QG 2.700 . 3.600 3.143 2.785 3.518 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1335 1 59 CYS HA 1 80 LEU H 2.900 . 4.000 2.746 2.495 3.669 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1336 1 59 CYS HB2 1 60 LYS H 3.000 . 4.100 3.976 3.559 4.484 0.384 36 0 "[ . 1 . 2 . 3 . ]" 1 1337 1 59 CYS HB3 1 79 VAL QG 2.800 . 3.800 3.390 2.789 4.543 0.743 29 3 "[ . 1 . - 2* . +3 . ]" 1 1338 1 60 LYS H 1 60 LYS HA 2.400 . 3.100 2.907 2.830 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1339 1 60 LYS H 1 60 LYS HB2 2.400 . 3.100 2.789 2.538 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1340 1 60 LYS H 1 60 LYS HB3 2.500 . 3.300 3.329 3.109 3.572 0.272 29 0 "[ . 1 . 2 . 3 . ]" 1 1341 1 60 LYS H 1 60 LYS QD 2.400 . 3.100 2.320 2.004 2.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1342 1 60 LYS H 1 60 LYS QG 2.600 . 3.400 2.681 1.975 3.404 0.004 37 0 "[ . 1 . 2 . 3 . ]" 1 1343 1 60 LYS H 1 78 VAL H 2.700 . 3.600 3.550 2.896 3.757 0.157 27 0 "[ . 1 . 2 . 3 . ]" 1 1344 1 60 LYS H 1 78 VAL QG 2.900 . 4.000 2.821 1.897 3.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1345 1 60 LYS H 1 78 VAL QG 2.700 . 3.600 2.651 1.888 3.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1346 1 60 LYS HA 1 60 LYS HB2 2.600 . 3.400 2.993 2.976 3.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1347 1 60 LYS HA 1 60 LYS HB3 2.400 . 3.100 2.389 2.329 2.529 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1348 1 60 LYS HA 1 60 LYS QG 2.800 . 3.800 2.615 2.368 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1349 1 60 LYS HA 1 61 TYR H 2.300 . 3.000 2.183 2.094 2.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1350 1 60 LYS HA 1 61 TYR HA 2.600 . 3.400 2.525 1.754 2.945 0.046 27 0 "[ . 1 . 2 . 3 . ]" 1 1351 1 60 LYS HA 1 61 TYR QD 3.400 . 4.800 4.183 3.020 4.513 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1352 1 60 LYS HA 1 62 THR H 2.900 . 4.000 3.038 2.422 3.694 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1353 1 60 LYS HB2 1 60 LYS QG 2.300 . 3.000 2.335 2.166 2.451 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1354 1 60 LYS HB2 1 61 TYR H 2.900 . 4.000 4.224 4.126 4.363 0.363 16 0 "[ . 1 . 2 . 3 . ]" 1 1355 1 60 LYS HB2 1 78 VAL QG 2.000 . 2.500 1.819 1.637 1.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1356 1 60 LYS HB3 1 60 LYS QG 2.100 . 2.700 2.334 2.148 2.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1357 1 60 LYS QD 1 60 LYS QG 1.900 . 2.400 2.070 2.013 2.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1358 1 60 LYS QE 1 60 LYS QG 2.500 . 3.300 2.313 2.139 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1359 1 60 LYS QE 1 78 VAL QG 3.600 . 5.200 3.765 1.833 5.045 0.167 37 0 "[ . 1 . 2 . 3 . ]" 1 1360 1 60 LYS QG 1 78 VAL QG 3.200 . 4.500 3.169 2.671 3.558 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1361 1 61 TYR H 1 61 TYR HB2 2.500 . 3.300 2.560 2.430 2.712 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1362 1 61 TYR H 1 61 TYR HB3 2.500 . 3.300 2.594 2.368 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1363 1 61 TYR H 1 61 TYR QD 3.500 . 5.000 4.226 4.173 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1364 1 61 TYR HA 1 61 TYR HB2 2.400 . 3.100 2.524 2.400 2.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1365 1 61 TYR HA 1 61 TYR HB3 2.800 . 3.800 2.918 2.764 2.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1366 1 61 TYR HA 1 61 TYR QD 2.900 . 4.000 2.929 2.471 3.226 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1367 1 61 TYR HA 1 61 TYR QE 3.000 . 4.100 2.860 2.254 3.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1368 1 61 TYR HA 1 62 THR H 2.200 . 2.800 2.190 2.116 3.298 0.498 3 0 "[ . 1 . 2 . 3 . ]" 1 1369 1 61 TYR HA 1 78 VAL H 3.400 . 4.800 3.431 2.358 4.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1370 1 61 TYR HB2 1 61 TYR QD 2.600 . 3.400 2.311 2.271 2.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1371 1 61 TYR HB3 1 61 TYR QD 2.800 . 3.800 2.731 2.593 2.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1372 1 61 TYR HB3 1 61 TYR QD 2.700 . 3.600 2.710 2.562 2.765 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1373 1 61 TYR HB3 1 78 VAL QG 3.000 . 4.100 3.241 2.955 3.508 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1374 1 61 TYR QD 1 62 THR H 2.700 . 3.600 2.922 2.321 3.802 0.202 3 0 "[ . 1 . 2 . 3 . ]" 1 1375 1 61 TYR QD 1 77 TYR QE 3.500 . 5.000 3.807 3.138 4.108 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1376 1 61 TYR QE 1 63 PRO QB 3.000 . 4.100 2.585 2.026 3.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1377 1 61 TYR QE 1 63 PRO QB 3.400 . 4.800 2.581 2.026 3.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1378 1 61 TYR QE 1 63 PRO QG 3.000 . 4.100 4.001 3.437 4.181 0.081 12 0 "[ . 1 . 2 . 3 . ]" 1 1379 1 61 TYR QE 1 75 GLY H 3.300 . 4.700 4.254 3.138 4.962 0.262 3 0 "[ . 1 . 2 . 3 . ]" 1 1380 1 62 THR H 1 62 THR HA 2.900 . 4.000 2.919 2.314 2.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1381 1 62 THR H 1 62 THR HB 2.500 . 3.300 2.749 2.559 3.427 0.127 10 0 "[ . 1 . 2 . 3 . ]" 1 1382 1 62 THR H 1 62 THR MG 3.600 . 5.200 3.802 3.212 3.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1383 1 62 THR H 1 76 ILE H 3.000 . 4.100 3.684 2.990 4.695 0.595 3 1 "[ + . 1 . 2 . 3 . ]" 1 1384 1 62 THR H 1 78 VAL H 3.200 . 4.500 3.556 2.980 4.553 0.053 3 0 "[ . 1 . 2 . 3 . ]" 1 1385 1 62 THR HA 1 62 THR HB 2.400 . 3.100 2.998 2.723 3.033 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1386 1 62 THR HA 1 62 THR MG 2.700 . 3.600 2.303 2.149 2.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1387 1 62 THR HA 1 63 PRO HD2 2.300 . 3.000 2.594 2.165 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1388 1 62 THR HA 1 63 PRO HD3 2.200 . 2.800 1.941 1.744 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1389 1 62 THR HA 1 63 PRO HD3 2.000 . 2.500 1.864 1.625 2.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1390 1 62 THR HA 1 63 PRO QG 2.800 . 3.800 3.808 3.537 4.049 0.249 3 0 "[ . 1 . 2 . 3 . ]" 1 1391 1 62 THR HA 1 63 PRO QG 2.600 . 3.400 3.638 3.468 3.777 0.377 30 0 "[ . 1 . 2 . 3 . ]" 1 1392 1 62 THR HB 1 62 THR MG 2.200 . 2.800 2.136 2.132 2.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1393 1 62 THR HB 1 64 THR MG 2.900 . 4.000 3.178 2.200 4.180 0.180 16 0 "[ . 1 . 2 . 3 . ]" 1 1394 1 62 THR HB 1 76 ILE H 2.200 . 2.800 2.856 2.243 2.990 0.190 9 0 "[ . 1 . 2 . 3 . ]" 1 1395 1 62 THR HB 1 76 ILE MD 3.700 . 5.400 4.312 3.210 5.436 0.036 13 0 "[ . 1 . 2 . 3 . ]" 1 1396 1 62 THR HB 1 76 ILE MD 2.900 . 4.000 3.672 3.115 4.071 0.071 13 0 "[ . 1 . 2 . 3 . ]" 1 1397 1 62 THR HB 1 78 VAL QG 3.100 . 4.300 4.069 3.418 4.430 0.130 10 0 "[ . 1 . 2 . 3 . ]" 1 1398 1 62 THR MG 1 63 PRO HD2 3.000 . 4.100 2.926 2.371 3.839 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1399 1 62 THR MG 1 63 PRO HD3 2.800 . 3.800 3.202 2.130 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1400 1 62 THR MG 1 76 ILE MG 2.600 . 3.400 2.355 2.129 3.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1401 1 63 PRO HA 1 63 PRO QB 2.300 . 3.000 2.188 2.169 2.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1402 1 63 PRO HA 1 63 PRO QG 2.900 . 3.800 3.513 3.159 3.549 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1403 1 63 PRO HA 1 64 THR H 2.300 . 3.000 2.730 2.277 3.498 0.498 10 0 "[ . 1 . 2 . 3 . ]" 1 1404 1 63 PRO HA 1 76 ILE MG 3.700 . 5.400 5.025 3.157 5.548 0.148 27 0 "[ . 1 . 2 . 3 . ]" 1 1405 1 63 PRO QB 1 63 PRO HD2 2.800 . 3.800 3.374 2.797 3.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1406 1 63 PRO QB 1 63 PRO HD3 2.900 . 4.000 3.289 2.985 3.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1407 1 63 PRO QB 1 63 PRO HD3 2.600 . 3.400 3.278 2.981 3.521 0.121 26 0 "[ . 1 . 2 . 3 . ]" 1 1408 1 63 PRO QB 1 63 PRO QG 2.000 . 2.500 1.956 1.939 1.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1409 1 63 PRO HD2 1 63 PRO QG 2.100 . 2.700 2.184 2.154 2.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1410 1 63 PRO HD2 1 73 VAL QG 3.000 . 4.100 4.067 2.031 4.441 0.341 17 0 "[ . 1 . 2 . 3 . ]" 1 1411 1 63 PRO HD3 1 63 PRO QG 2.000 . 2.500 2.173 2.164 2.199 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1412 1 63 PRO QG 1 64 THR HA 2.800 . 3.800 4.039 3.674 4.350 0.550 26 2 "[ . 1 . 2 - .+ 3 . ]" 1 1413 1 64 THR H 1 64 THR HB 2.400 . 3.100 3.067 2.521 3.543 0.443 34 0 "[ . 1 . 2 . 3 . ]" 1 1414 1 64 THR H 1 64 THR MG 3.800 . 5.600 3.527 1.942 4.068 0.058 17 0 "[ . 1 . 2 . 3 . ]" 1 1415 1 64 THR H 1 64 THR MG 3.000 . 4.100 3.445 1.942 4.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1416 1 64 THR H 1 75 GLY H 3.000 . 4.100 3.126 1.869 3.910 0.031 16 0 "[ . 1 . 2 . 3 . ]" 1 1417 1 64 THR H 1 75 GLY HA2 3.000 . 4.100 3.290 1.870 4.419 0.319 34 0 "[ . 1 . 2 . 3 . ]" 1 1418 1 64 THR H 1 75 GLY HA3 3.100 . 4.300 3.454 1.922 4.549 0.249 10 0 "[ . 1 . 2 . 3 . ]" 1 1419 1 64 THR HA 1 64 THR HB 2.500 . 3.300 2.902 2.382 3.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1420 1 64 THR HA 1 64 THR MG 2.600 . 3.400 2.256 2.148 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1421 1 64 THR HA 1 65 PRO HD3 2.200 . 2.800 2.088 1.834 3.166 0.366 18 0 "[ . 1 . 2 . 3 . ]" 1 1422 1 64 THR HA 1 65 PRO HG3 3.000 . 4.100 3.022 2.725 3.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1423 1 64 THR HA 1 65 PRO HD2 2.300 . 3.000 2.578 1.934 3.721 0.721 18 1 "[ . 1 . + 2 . 3 . ]" 1 1424 1 64 THR HA 1 65 PRO HD3 2.300 . 3.000 2.129 1.838 3.901 0.901 18 1 "[ . 1 . + 2 . 3 . ]" 1 1425 1 64 THR HB 1 64 THR MG 2.300 . 2.800 2.133 2.131 2.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1426 1 64 THR HB 1 65 PRO HD2 2.700 . 3.600 3.548 2.443 3.950 0.350 31 0 "[ . 1 . 2 . 3 . ]" 1 1427 1 64 THR HB 1 73 VAL QG 3.100 . 4.300 3.156 1.896 3.758 0.004 3 0 "[ . 1 . 2 . 3 . ]" 1 1428 1 64 THR MG 1 65 PRO HD2 2.700 . 3.600 1.979 1.782 2.941 0.018 31 0 "[ . 1 . 2 . 3 . ]" 1 1429 1 64 THR MG 1 65 PRO HD3 2.900 . 4.000 2.983 2.333 4.293 0.293 17 0 "[ . 1 . 2 . 3 . ]" 1 1430 1 64 THR MG 1 65 PRO HD3 3.000 . 4.100 2.641 2.262 3.012 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1431 1 65 PRO HA 1 65 PRO HG2 2.900 . 4.000 3.925 3.837 4.001 0.001 27 0 "[ . 1 . 2 . 3 . ]" 1 1432 1 65 PRO HA 1 66 SER H 2.000 . 2.500 2.329 2.138 2.698 0.198 37 0 "[ . 1 . 2 . 3 . ]" 1 1433 1 65 PRO HB2 1 66 SER H 3.200 . 4.500 3.246 2.262 4.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1434 1 65 PRO HB3 1 65 PRO HG3 2.300 . 3.000 2.317 2.292 2.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1435 1 65 PRO HB3 1 66 SER H 3.100 . 4.300 3.408 2.626 4.637 0.337 37 0 "[ . 1 . 2 . 3 . ]" 1 1436 1 65 PRO HB3 1 66 SER H 2.800 . 3.800 2.992 2.309 3.802 0.002 18 0 "[ . 1 . 2 . 3 . ]" 1 1437 1 65 PRO HD3 1 65 PRO HG3 2.300 . 3.000 2.011 1.984 2.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1438 1 65 PRO HD3 1 66 SER H 2.700 . 3.600 2.516 2.254 2.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1439 1 65 PRO HG2 1 68 THR HB 2.700 . 3.600 3.249 2.905 3.610 0.010 2 0 "[ . 1 . 2 . 3 . ]" 1 1440 1 66 SER H 1 66 SER HA 2.800 . 3.800 2.888 2.821 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1441 1 66 SER H 1 66 SER QB 2.500 . 3.300 2.520 2.256 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1442 1 66 SER HA 1 66 SER QB 2.600 . 3.300 2.348 2.180 2.430 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1443 1 66 SER HA 1 67 SER H 2.400 . 3.100 2.637 2.142 3.453 0.353 11 0 "[ . 1 . 2 . 3 . ]" 1 1444 1 66 SER QB 1 67 SER H 3.100 . 4.300 2.575 1.767 3.601 0.133 11 0 "[ . 1 . 2 . 3 . ]" 1 1445 1 66 SER QB 1 67 SER H 2.600 . 3.400 2.311 1.732 3.138 0.068 11 0 "[ . 1 . 2 . 3 . ]" 1 1446 1 66 SER QB 1 68 THR H 3.000 . 4.100 2.731 1.956 3.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1447 1 66 SER QB 1 68 THR H 2.900 . 4.000 3.091 2.301 3.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1448 1 66 SER QB 1 71 VAL MG1 3.700 . 4.800 3.667 1.926 4.460 0.074 29 0 "[ . 1 . 2 . 3 . ]" 1 1449 1 67 SER H 1 67 SER HB2 3.100 . 4.300 2.903 2.470 3.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1450 1 67 SER H 1 67 SER HB3 3.400 . 4.800 3.048 2.475 3.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1451 1 67 SER H 1 68 THR H 2.700 . 3.600 2.487 1.761 3.086 0.039 28 0 "[ . 1 . 2 . 3 . ]" 1 1452 1 67 SER HA 1 67 SER HB2 2.600 . 3.400 2.668 2.447 3.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1453 1 67 SER HA 1 67 SER HB3 2.600 . 3.400 2.701 2.444 3.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1454 1 67 SER HA 1 68 THR H 2.800 . 3.800 3.393 3.055 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1455 1 68 THR H 1 68 THR HA 2.800 . 3.800 2.866 2.781 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1456 1 68 THR H 1 68 THR HB 2.700 . 3.600 3.321 2.557 3.735 0.135 19 0 "[ . 1 . 2 . 3 . ]" 1 1457 1 68 THR H 1 68 THR MG 3.300 . 4.700 2.912 2.071 4.008 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1458 1 68 THR HA 1 68 THR HB 2.500 . 3.300 2.679 2.464 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1459 1 68 THR HA 1 69 PRO QD 2.600 . 3.400 2.645 2.085 3.483 0.083 28 0 "[ . 1 . 2 . 3 . ]" 1 1460 1 68 THR HA 1 69 PRO QD 2.400 . 3.100 1.887 1.703 2.071 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1461 1 68 THR HB 1 68 THR MG 2.400 . 3.100 2.134 2.133 2.136 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1462 1 68 THR HB 1 69 PRO QD 2.300 . 3.000 1.859 1.625 2.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1463 1 68 THR HB 1 69 PRO HG2 2.800 . 3.800 3.941 3.521 4.231 0.431 14 0 "[ . 1 . 2 . 3 . ]" 1 1464 1 68 THR MG 1 69 PRO QD 3.200 . 4.500 3.005 2.799 3.158 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1465 1 69 PRO HA 1 69 PRO HB2 2.500 . 3.300 2.672 2.633 2.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1466 1 69 PRO HA 1 69 PRO HB3 2.400 . 3.100 2.303 2.263 2.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1467 1 69 PRO HA 1 70 MET H 2.200 . 2.800 2.889 2.146 3.183 0.383 6 0 "[ . 1 . 2 . 3 . ]" 1 1468 1 69 PRO HG2 1 70 MET H 2.500 . 3.300 3.441 3.389 3.579 0.279 32 0 "[ . 1 . 2 . 3 . ]" 1 1469 1 70 MET H 1 70 MET HG3 3.200 . 4.500 3.618 2.070 4.875 0.375 32 0 "[ . 1 . 2 . 3 . ]" 1 1470 1 70 MET H 1 71 VAL H 2.700 . 3.600 2.687 1.758 3.758 0.158 22 0 "[ . 1 . 2 . 3 . ]" 1 1471 1 70 MET HA 1 70 MET HG3 3.200 . 4.500 3.121 2.460 3.797 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1472 1 70 MET HA 1 71 VAL H 2.500 . 3.300 3.025 2.195 3.531 0.231 22 0 "[ . 1 . 2 . 3 . ]" 1 1473 1 71 VAL H 1 71 VAL HA 2.800 . 3.800 2.882 2.273 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1474 1 71 VAL H 1 71 VAL HB 2.400 . 3.100 2.746 2.341 3.548 0.448 8 0 "[ . 1 . 2 . 3 . ]" 1 1475 1 71 VAL H 1 71 VAL QG 2.900 . 4.000 2.327 1.789 2.942 0.011 8 0 "[ . 1 . 2 . 3 . ]" 1 1476 1 71 VAL H 1 71 VAL QG 2.600 . 3.400 2.306 1.789 2.906 0.011 8 0 "[ . 1 . 2 . 3 . ]" 1 1477 1 71 VAL H 1 72 GLY H 3.200 . 4.500 4.093 2.355 4.587 0.087 10 0 "[ . 1 . 2 . 3 . ]" 1 1478 1 71 VAL HA 1 71 VAL HB 2.700 . 3.600 2.812 2.426 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1479 1 71 VAL HA 1 71 VAL QG 2.600 . 3.400 2.177 2.116 2.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1480 1 71 VAL HA 1 72 GLY H 2.200 . 2.800 2.305 2.135 2.969 0.169 28 0 "[ . 1 . 2 . 3 . ]" 1 1481 1 71 VAL HB 1 71 VAL QG 2.200 . 2.800 1.896 1.893 1.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1482 1 71 VAL HB 1 72 GLY H 3.300 . 4.700 4.199 3.076 4.512 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1483 1 71 VAL QG 1 72 GLY H 2.900 . 4.000 2.633 1.971 3.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1484 1 72 GLY H 1 72 GLY QA 2.000 . 2.500 2.348 2.192 2.502 0.002 18 0 "[ . 1 . 2 . 3 . ]" 1 1485 1 72 GLY H 1 73 VAL H 2.600 . 3.400 2.719 1.779 3.347 0.021 9 0 "[ . 1 . 2 . 3 . ]" 1 1486 1 72 GLY QA 1 73 VAL H 2.100 . 2.700 2.329 2.109 2.800 0.100 15 0 "[ . 1 . 2 . 3 . ]" 1 1487 1 73 VAL H 1 73 VAL HA 3.000 . 4.100 2.845 2.264 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1488 1 73 VAL H 1 73 VAL HB 2.500 . 3.300 3.019 2.523 3.586 0.286 27 0 "[ . 1 . 2 . 3 . ]" 1 1489 1 73 VAL H 1 73 VAL QG 2.500 . 3.300 2.420 1.758 2.902 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1490 1 73 VAL H 1 74 GLY H 2.600 . 3.400 3.135 1.786 3.526 0.126 16 0 "[ . 1 . 2 . 3 . ]" 1 1491 1 73 VAL HA 1 73 VAL HB 2.500 . 3.300 2.837 2.371 3.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1492 1 73 VAL HA 1 73 VAL QG 2.600 . 3.400 2.174 2.091 2.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1493 1 73 VAL HA 1 74 GLY H 2.400 . 3.100 2.735 2.198 3.480 0.380 8 0 "[ . 1 . 2 . 3 . ]" 1 1494 1 73 VAL HB 1 73 VAL QG 2.100 . 2.700 1.896 1.891 1.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1495 1 74 GLY H 1 74 GLY HA2 2.000 . 2.500 2.670 2.289 2.956 0.456 11 0 "[ . 1 . 2 . 3 . ]" 1 1496 1 74 GLY H 1 74 GLY HA3 2.600 . 3.400 2.784 2.326 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1497 1 74 GLY H 1 75 GLY H 3.200 . 4.500 3.564 1.870 4.552 0.052 32 0 "[ . 1 . 2 . 3 . ]" 1 1498 1 74 GLY QA 1 75 GLY H 2.100 . 2.700 2.107 1.973 2.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1499 1 74 GLY HA2 1 75 GLY H 2.500 . 3.300 3.040 2.141 3.559 0.259 29 0 "[ . 1 . 2 . 3 . ]" 1 1500 1 74 GLY HA2 1 76 ILE H 2.400 . 3.100 3.015 2.132 3.297 0.197 25 0 "[ . 1 . 2 . 3 . ]" 1 1501 1 74 GLY HA3 1 75 GLY H 2.600 . 3.400 2.583 2.129 3.537 0.137 17 0 "[ . 1 . 2 . 3 . ]" 1 1502 1 75 GLY H 1 75 GLY HA2 2.800 . 3.800 2.697 2.354 2.952 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1503 1 75 GLY H 1 75 GLY HA3 2.900 . 4.000 2.719 2.290 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1504 1 75 GLY H 1 76 ILE H 3.300 . 4.700 3.148 1.731 4.384 0.169 10 0 "[ . 1 . 2 . 3 . ]" 1 1505 1 75 GLY H 1 76 ILE HA 3.300 . 4.700 4.634 4.297 4.893 0.193 17 0 "[ . 1 . 2 . 3 . ]" 1 1506 1 75 GLY HA2 1 76 ILE H 2.400 . 3.100 2.710 2.115 3.535 0.435 3 0 "[ . 1 . 2 . 3 . ]" 1 1507 1 75 GLY HA3 1 76 ILE H 2.600 . 3.400 3.066 2.132 3.307 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1508 1 76 ILE H 1 76 ILE HA 2.900 . 4.000 2.913 2.882 2.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1509 1 76 ILE H 1 76 ILE HB 2.700 . 3.600 3.566 2.163 3.929 0.329 28 0 "[ . 1 . 2 . 3 . ]" 1 1510 1 76 ILE H 1 76 ILE HG12 2.500 . 3.300 2.975 2.564 3.757 0.457 22 0 "[ . 1 . 2 . 3 . ]" 1 1511 1 76 ILE H 1 76 ILE HG13 3.100 . 4.300 2.952 2.240 4.413 0.113 22 0 "[ . 1 . 2 . 3 . ]" 1 1512 1 76 ILE H 1 76 ILE MG 3.400 . 4.800 3.183 2.634 3.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1513 1 76 ILE HA 1 76 ILE HB 2.600 . 3.400 2.538 2.402 2.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1514 1 76 ILE HA 1 76 ILE HG12 3.000 . 4.100 3.608 2.238 4.126 0.026 32 0 "[ . 1 . 2 . 3 . ]" 1 1515 1 76 ILE HA 1 76 ILE MG 2.700 . 3.600 2.389 2.236 2.989 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1516 1 76 ILE HA 1 77 TYR H 2.300 . 3.000 2.775 2.192 3.400 0.400 16 0 "[ . 1 . 2 . 3 . ]" 1 1517 1 76 ILE HB 1 76 ILE MD 2.700 . 3.600 2.404 2.177 3.225 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1518 1 76 ILE HB 1 76 ILE HG12 2.400 . 3.100 2.886 2.461 2.993 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1519 1 76 ILE HB 1 76 ILE HG13 2.300 . 3.000 2.581 2.328 2.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1520 1 76 ILE HB 1 76 ILE MG 2.400 . 3.100 2.110 2.092 2.132 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1521 1 76 ILE HB 1 77 TYR H 2.600 . 3.400 2.044 1.580 3.910 0.510 30 1 "[ . 1 . 2 . + . ]" 1 1522 1 76 ILE MD 1 76 ILE HG13 2.300 . 3.000 2.122 2.119 2.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1523 1 76 ILE MD 1 76 ILE MG 2.500 . 3.300 2.204 1.893 2.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1524 1 76 ILE MD 1 77 TYR QD 3.700 . 5.400 3.911 3.589 4.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1525 1 76 ILE HG12 1 76 ILE MG 2.600 . 3.400 2.383 2.133 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1526 1 76 ILE HG13 1 76 ILE MG 2.600 . 3.400 3.019 2.385 3.174 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1527 1 76 ILE MG 1 77 TYR H 3.200 . 4.500 3.198 1.922 3.470 0.078 31 0 "[ . 1 . 2 . 3 . ]" 1 1528 1 77 TYR H 1 77 TYR HB2 2.800 . 3.800 3.040 2.885 3.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1529 1 77 TYR H 1 77 TYR HB3 2.900 . 4.000 3.874 3.796 3.948 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1530 1 77 TYR H 1 77 TYR QD 3.000 . 4.100 2.695 2.294 3.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1531 1 77 TYR HA 1 78 VAL H 2.400 . 3.100 2.238 2.184 2.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1532 1 77 TYR HB2 1 77 TYR QD 2.800 . 3.800 2.435 2.295 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1533 1 77 TYR HB3 1 77 TYR QD 2.600 . 3.400 2.391 2.321 2.728 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1534 1 77 TYR QD 1 95 TYR QD 4.000 . 6.000 5.828 5.545 6.045 0.045 28 0 "[ . 1 . 2 . 3 . ]" 1 1535 1 78 VAL H 1 78 VAL HB 2.500 . 3.300 2.642 2.413 3.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1536 1 78 VAL H 1 78 VAL QG 2.300 . 3.000 2.218 1.796 2.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1537 1 78 VAL H 1 78 VAL QG 2.800 . 3.800 2.208 1.794 2.535 0.006 30 0 "[ . 1 . 2 . 3 . ]" 1 1538 1 78 VAL H 1 79 VAL H 3.000 . 4.100 4.270 4.115 4.477 0.377 16 0 "[ . 1 . 2 . 3 . ]" 1 1539 1 78 VAL HA 1 78 VAL QG 2.700 . 3.600 2.205 2.114 2.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1540 1 78 VAL HA 1 78 VAL QG 2.500 . 3.300 2.185 2.100 2.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1541 1 78 VAL HA 1 79 VAL H 2.100 . 2.700 2.149 2.089 2.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1542 1 78 VAL HA 1 80 LEU QD 3.800 . 5.600 4.936 3.928 5.312 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1543 1 78 VAL HB 1 78 VAL QG 2.200 . 2.800 1.895 1.891 1.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1544 1 78 VAL MG1 1 78 VAL MG2 2.200 . 2.800 2.085 2.072 2.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1545 1 78 VAL QG 1 79 VAL H 2.600 . 3.400 3.012 2.454 3.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1546 1 78 VAL QG 1 79 VAL H 2.300 . 3.000 2.276 2.026 2.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1547 1 78 VAL QG 1 79 VAL H 3.000 . 4.100 2.992 2.447 3.285 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1548 1 79 VAL H 1 79 VAL HB 2.300 . 3.000 2.636 2.511 2.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1549 1 79 VAL H 1 91 LEU QD 3.400 . 4.800 3.458 3.039 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1550 1 79 VAL H 1 91 LEU QD 2.900 . 4.000 3.246 2.743 3.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1551 1 79 VAL H 1 93 LEU QD 3.100 . 4.300 3.249 1.990 3.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1552 1 79 VAL HA 1 79 VAL QG 2.300 . 3.000 2.122 2.098 2.150 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1553 1 79 VAL HA 1 80 LEU H 2.400 . 3.100 2.155 2.134 2.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1554 1 79 VAL HB 1 79 VAL QG 2.100 . 2.700 1.895 1.893 1.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1555 1 79 VAL HB 1 93 LEU QD 2.600 . 3.400 2.080 2.023 2.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1556 1 79 VAL MG2 1 109 TYR HB2 3.800 . 5.600 4.305 3.662 4.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1557 1 79 VAL MG2 1 109 TYR HB3 3.300 . 4.700 3.140 2.400 3.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1558 1 80 LEU H 1 80 LEU HB2 2.700 . 3.600 2.477 2.382 2.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1559 1 80 LEU H 1 80 LEU HB3 2.700 . 3.600 3.676 3.580 3.722 0.122 36 0 "[ . 1 . 2 . 3 . ]" 1 1560 1 80 LEU H 1 80 LEU QD 3.300 . 4.700 3.362 1.895 3.487 0.005 7 0 "[ . 1 . 2 . 3 . ]" 1 1561 1 80 LEU H 1 80 LEU HG 2.300 . 3.000 3.019 2.800 3.925 0.925 20 2 "[ . - 1 . + . 3 . ]" 1 1562 1 80 LEU HA 1 80 LEU HB2 2.600 . 3.400 3.017 3.013 3.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1563 1 80 LEU HA 1 80 LEU HB3 3.000 . 4.100 2.519 2.496 2.542 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1564 1 80 LEU HA 1 80 LEU QD 2.600 . 3.400 1.788 1.739 2.027 0.261 23 0 "[ . 1 . 2 . 3 . ]" 1 1565 1 80 LEU HA 1 80 LEU HG 3.300 . 4.700 3.115 3.020 3.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1566 1 80 LEU HA 1 81 VAL H 2.200 . 2.800 2.192 2.156 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1567 1 80 LEU HB2 1 80 LEU QD 2.400 . 3.000 2.296 2.274 2.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1568 1 80 LEU HB2 1 80 LEU HG 2.400 . 3.100 2.443 2.394 2.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1569 1 80 LEU HB3 1 80 LEU QD 2.100 . 2.700 2.155 2.091 2.372 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1570 1 80 LEU HB3 1 80 LEU HG 2.400 . 3.100 2.959 2.402 3.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1571 1 80 LEU HB3 1 82 LYS QG 2.400 . 3.100 3.409 3.353 3.509 0.409 32 0 "[ . 1 . 2 . 3 . ]" 1 1572 1 80 LEU QD 1 80 LEU HG 2.200 . 2.800 1.887 1.876 1.890 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1573 1 80 LEU QD 1 81 VAL H 2.600 . 3.400 3.546 3.465 3.633 0.233 9 0 "[ . 1 . 2 . 3 . ]" 1 1574 1 80 LEU QD 1 81 VAL H 2.600 . 3.400 1.770 1.725 1.906 0.075 12 0 "[ . 1 . 2 . 3 . ]" 1 1575 1 81 VAL H 1 81 VAL HB 2.300 . 3.000 3.166 3.019 3.251 0.251 21 0 "[ . 1 . 2 . 3 . ]" 1 1576 1 81 VAL H 1 81 VAL QG 2.500 . 3.300 1.775 1.729 1.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1577 1 81 VAL H 1 81 VAL QG 2.500 . 3.300 1.753 1.654 1.891 0.046 31 0 "[ . 1 . 2 . 3 . ]" 1 1578 1 81 VAL HA 1 81 VAL HB 2.500 . 3.300 2.885 2.839 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1579 1 81 VAL HA 1 81 VAL QG 2.400 . 3.100 2.090 2.074 2.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1580 1 81 VAL HA 1 82 LYS H 2.100 . 2.700 2.135 2.095 2.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1581 1 81 VAL HB 1 81 VAL QG 2.000 . 2.500 1.866 1.700 1.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1582 1 81 VAL HB 1 113 LEU QD 2.900 . 4.000 2.536 1.855 2.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1583 1 81 VAL HB 1 91 LEU QD 2.300 . 3.000 2.360 1.899 3.191 0.191 23 0 "[ . 1 . 2 . 3 . ]" 1 1584 1 81 VAL HB 1 111 LEU QD 2.700 . 3.600 2.256 2.067 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1585 1 81 VAL QG 1 83 PRO HD3 3.000 . 4.100 3.035 2.317 3.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1586 1 81 VAL QG 1 91 LEU HB2 2.200 . 2.800 1.731 1.595 2.076 0.005 31 0 "[ . 1 . 2 . 3 . ]" 1 1587 1 81 VAL QG 1 91 LEU HB3 2.300 . 3.000 2.134 2.017 2.240 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1588 1 81 VAL QG 1 109 TYR QD 3.600 . 5.200 3.302 2.776 3.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1589 1 81 VAL QG 1 109 TYR QE 3.200 . 4.500 3.165 2.342 4.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1590 1 81 VAL QG 1 109 TYR QE 2.800 . 3.800 3.063 2.026 3.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1591 1 81 VAL QG 1 111 LEU HB3 2.400 . 3.100 2.263 2.112 2.312 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1592 1 82 LYS H 1 82 LYS HA 2.700 . 3.600 2.940 2.927 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1593 1 82 LYS H 1 82 LYS HB2 2.600 . 3.400 2.342 2.215 2.423 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1594 1 82 LYS H 1 82 LYS HB3 2.800 . 3.800 3.555 3.414 3.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1595 1 82 LYS H 1 82 LYS QG 2.700 . 3.600 3.243 3.132 3.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1596 1 82 LYS HA 1 82 LYS HB2 2.800 . 3.800 2.981 2.944 2.999 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1597 1 82 LYS HA 1 82 LYS HB3 2.300 . 3.000 2.650 2.614 2.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1598 1 82 LYS HA 1 82 LYS QG 2.600 . 3.400 2.266 2.178 2.320 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1599 1 82 LYS HA 1 83 PRO HD2 2.300 . 3.000 2.033 1.813 2.387 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1600 1 82 LYS HA 1 83 PRO HD3 2.300 . 3.000 2.602 2.153 2.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1601 1 82 LYS HB2 1 82 LYS QE 2.500 . 3.300 2.170 1.994 4.107 0.807 32 1 "[ . 1 . 2 . 3 + . ]" 1 1602 1 82 LYS HB2 1 82 LYS QG 2.100 . 2.700 2.327 2.254 2.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1603 1 82 LYS HB3 1 82 LYS QE 3.000 . 4.100 2.970 2.813 3.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1604 1 82 LYS HB3 1 82 LYS QG 2.400 . 3.100 2.361 2.332 2.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1605 1 82 LYS QD 1 82 LYS QE 1.900 . 2.400 2.059 2.002 2.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1606 1 82 LYS QD 1 82 LYS QG 1.800 . 2.200 2.016 2.011 2.059 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1607 1 82 LYS QE 1 82 LYS QG 2.500 . 3.300 2.431 2.112 2.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1608 1 82 LYS QG 1 83 PRO HD2 2.700 . 3.600 3.636 3.518 3.712 0.112 30 0 "[ . 1 . 2 . 3 . ]" 1 1609 1 83 PRO HA 1 84 ARG H 2.600 . 3.400 2.204 2.142 2.269 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1610 1 83 PRO HB2 1 83 PRO HD2 3.300 . 4.700 3.593 2.996 4.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1611 1 83 PRO HB2 1 83 PRO HD3 2.900 . 4.000 3.895 3.870 3.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1612 1 83 PRO HB2 1 83 PRO HG2 2.400 . 3.100 2.301 2.276 2.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1613 1 83 PRO HB2 1 83 PRO HG3 2.500 . 3.300 2.834 2.697 2.993 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1614 1 83 PRO HB2 1 84 ARG H 2.900 . 4.000 3.188 3.113 3.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1615 1 83 PRO HB2 1 85 LYS H 2.600 . 3.400 2.911 2.631 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1616 1 83 PRO HB2 1 89 HIS HD2 3.700 . 5.400 3.966 3.068 5.419 0.019 14 0 "[ . 1 . 2 . 3 . ]" 1 1617 1 83 PRO HB3 1 83 PRO HD3 2.900 . 4.000 3.471 3.008 4.032 0.032 27 0 "[ . 1 . 2 . 3 . ]" 1 1618 1 83 PRO HB3 1 84 ARG H 3.000 . 4.100 4.139 4.047 4.211 0.111 6 0 "[ . 1 . 2 . 3 . ]" 1 1619 1 83 PRO HB3 1 89 HIS HD2 3.700 . 5.400 3.159 2.184 5.300 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1620 1 83 PRO HB3 1 113 LEU QD 3.100 . 4.300 4.079 3.199 4.416 0.116 30 0 "[ . 1 . 2 . 3 . ]" 1 1621 1 83 PRO HB3 1 115 VAL QG 2.500 . 3.300 1.956 1.693 2.243 0.007 33 0 "[ . 1 . 2 . 3 . ]" 1 1622 1 83 PRO HD2 1 83 PRO HG2 2.500 . 3.300 2.305 2.286 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1623 1 83 PRO HD2 1 83 PRO HG3 2.400 . 3.100 2.811 2.677 2.983 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1624 1 83 PRO HD3 1 83 PRO HG2 2.400 . 3.100 2.873 2.699 2.993 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1625 1 83 PRO HD3 1 83 PRO HG3 2.400 . 3.100 2.303 2.280 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1626 1 83 PRO HG3 1 94 VAL QG 2.400 . 3.100 2.706 2.288 2.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1627 1 83 PRO HG3 1 113 LEU QD 2.500 . 3.300 3.000 2.494 3.406 0.106 18 0 "[ . 1 . 2 . 3 . ]" 1 1628 1 84 ARG H 1 84 ARG HA 2.700 . 3.600 2.837 2.805 2.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1629 1 84 ARG H 1 84 ARG HB2 2.600 . 3.400 2.088 2.028 2.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1630 1 84 ARG H 1 84 ARG HB2 2.300 . 3.000 2.061 2.009 2.201 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1631 1 84 ARG H 1 84 ARG HB3 2.900 . 4.000 3.333 3.243 3.508 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1632 1 84 ARG H 1 84 ARG QG 2.500 . 3.300 3.268 2.774 3.416 0.116 33 0 "[ . 1 . 2 . 3 . ]" 1 1633 1 84 ARG H 1 85 LYS H 2.400 . 3.100 2.557 2.400 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1634 1 84 ARG HA 1 84 ARG HB2 2.900 . 4.000 2.894 2.845 2.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1635 1 84 ARG HA 1 84 ARG HB3 2.600 . 3.400 2.787 2.634 2.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1636 1 84 ARG HA 1 84 ARG QD 3.100 . 4.300 3.943 3.900 3.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1637 1 84 ARG HA 1 84 ARG QG 2.400 . 3.100 2.236 2.207 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1638 1 84 ARG HA 1 85 LYS H 3.200 . 4.500 3.514 3.466 3.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1639 1 84 ARG HB2 1 84 ARG QD 2.500 . 3.100 2.336 2.262 2.409 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1640 1 84 ARG HB2 1 84 ARG QG 2.000 . 2.500 2.368 2.328 2.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1641 1 84 ARG HB2 1 85 LYS H 2.800 . 3.800 3.025 2.737 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1642 1 84 ARG HB3 1 84 ARG QD 2.300 . 3.000 2.416 2.343 2.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1643 1 84 ARG HB3 1 84 ARG QG 2.100 . 2.700 2.310 2.265 2.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1644 1 84 ARG QD 1 84 ARG QG 2.100 . 2.400 2.087 2.069 2.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1645 1 84 ARG HE 1 84 ARG QG 2.900 . 4.000 2.283 2.206 2.328 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1646 1 85 LYS H 1 85 LYS HB2 2.700 . 3.600 2.661 2.345 2.813 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1647 1 85 LYS H 1 85 LYS HB2 2.600 . 3.400 2.347 2.225 2.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1648 1 85 LYS H 1 85 LYS HB3 2.800 . 3.800 3.755 3.569 3.825 0.025 6 0 "[ . 1 . 2 . 3 . ]" 1 1649 1 85 LYS HA 1 85 LYS HB2 2.800 . 3.800 3.020 2.992 3.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1650 1 85 LYS HA 1 85 LYS HB3 2.600 . 3.400 2.423 2.376 2.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1651 1 85 LYS HA 1 85 LYS QG 2.500 . 3.300 2.508 2.307 2.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1652 1 85 LYS HA 1 86 ARG H 2.400 . 3.100 2.522 2.273 2.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1653 1 85 LYS HB2 1 85 LYS HD3 2.400 . 3.100 3.082 2.217 3.232 0.132 15 0 "[ . 1 . 2 . 3 . ]" 1 1654 1 85 LYS HB2 1 86 ARG H 2.400 . 3.100 2.875 1.955 3.157 0.057 28 0 "[ . 1 . 2 . 3 . ]" 1 1655 1 85 LYS HB2 1 86 ARG H 3.000 . 4.100 3.276 2.948 4.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1656 1 85 LYS HB3 1 85 LYS HD2 2.300 . 3.000 3.024 2.862 3.823 0.823 22 1 "[ . 1 . 2 + . 3 . ]" 1 1657 1 85 LYS HB3 1 85 LYS QG 2.000 . 2.500 2.350 2.152 2.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1658 1 85 LYS HB3 1 86 ARG H 2.700 . 3.600 2.268 2.028 2.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1659 1 85 LYS HD3 1 89 HIS HB2 2.800 . 3.800 3.007 2.474 3.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1660 1 85 LYS HD3 1 89 HIS HB3 3.200 . 4.500 4.015 3.539 4.277 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1661 1 85 LYS QE 1 85 LYS QG 2.400 . 3.100 2.272 2.137 2.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1662 1 85 LYS QG 1 86 ARG H 3.000 . 4.100 3.953 3.547 4.109 0.009 15 0 "[ . 1 . 2 . 3 . ]" 1 1663 1 86 ARG H 1 86 ARG HA 2.800 . 3.800 2.941 2.918 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1664 1 86 ARG HA 1 86 ARG HB2 2.300 . 3.000 2.974 2.564 3.025 0.025 28 0 "[ . 1 . 2 . 3 . ]" 1 1665 1 86 ARG HA 1 86 ARG HB3 2.700 . 3.600 2.410 2.303 2.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1666 1 86 ARG HA 1 86 ARG HB3 2.400 . 3.100 2.331 2.274 2.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1667 1 86 ARG HA 1 86 ARG QD 3.200 . 4.500 4.170 4.004 4.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1668 1 86 ARG HA 1 86 ARG HG2 2.700 . 3.600 2.808 2.503 3.620 0.020 27 0 "[ . 1 . 2 . 3 . ]" 1 1669 1 86 ARG HA 1 86 ARG HG3 2.900 . 4.000 3.150 2.993 3.828 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1670 1 86 ARG HA 1 87 GLY H 2.500 . 3.300 2.191 2.135 2.285 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1671 1 86 ARG HA 1 115 VAL HB 2.300 . 3.000 2.259 1.779 2.645 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1672 1 86 ARG HB2 1 86 ARG QD 2.200 . 2.800 2.482 2.277 2.946 0.146 3 0 "[ . 1 . 2 . 3 . ]" 1 1673 1 86 ARG HB2 1 86 ARG HG2 2.300 . 3.000 3.004 2.974 3.012 0.012 10 0 "[ . 1 . 2 . 3 . ]" 1 1674 1 86 ARG HB2 1 87 GLY H 2.800 . 3.800 3.953 2.923 4.361 0.561 38 2 "[ - . 1 . 2 . 3 . +]" 1 1675 1 86 ARG HB3 1 86 ARG QD 2.500 . 3.300 2.613 2.351 3.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1676 1 86 ARG HB3 1 86 ARG QD 1.900 . 2.400 2.139 2.098 2.199 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1677 1 86 ARG HB3 1 87 GLY H 2.900 . 4.000 3.228 2.784 3.669 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1678 1 86 ARG QD 1 86 ARG HG2 2.200 . 2.800 2.296 2.168 2.387 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1679 1 86 ARG QD 1 86 ARG HG3 2.200 . 2.800 2.300 2.166 2.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1680 1 87 GLY H 1 87 GLY HA2 2.700 . 3.600 2.923 2.848 2.958 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1681 1 87 GLY H 1 87 GLY HA3 2.800 . 3.800 2.626 2.483 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1682 1 87 GLY H 1 89 HIS H 2.900 . 4.000 3.693 3.200 3.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1683 1 87 GLY H 1 115 VAL H 2.800 . 3.800 3.842 3.599 3.943 0.143 31 0 "[ . 1 . 2 . 3 . ]" 1 1684 1 87 GLY H 1 115 VAL HB 2.300 . 3.000 1.733 1.577 3.028 0.028 31 0 "[ . 1 . 2 . 3 . ]" 1 1685 1 87 GLY HA2 1 88 HIS H 2.600 . 3.400 2.206 2.135 2.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1686 1 87 GLY HA3 1 88 HIS H 2.400 . 3.100 3.138 2.677 3.434 0.334 17 0 "[ . 1 . 2 . 3 . ]" 1 1687 1 88 HIS H 1 88 HIS HA 2.900 . 4.000 2.916 2.815 2.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1688 1 88 HIS H 1 88 HIS QB 2.300 . 3.000 2.479 2.263 2.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1689 1 88 HIS H 1 89 HIS H 3.100 . 4.300 3.926 2.589 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1690 1 88 HIS HA 1 88 HIS QB 2.400 . 3.100 2.363 2.347 2.423 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1691 1 88 HIS HA 1 88 HIS HD2 3.800 . 5.600 3.107 3.030 3.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1692 1 88 HIS HA 1 89 HIS H 2.100 . 2.700 2.145 2.061 2.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1693 1 88 HIS HA 1 89 HIS HB2 2.500 . 3.300 2.993 2.985 3.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1694 1 88 HIS HA 1 114 ASN HA 2.900 . 4.000 2.674 2.169 3.534 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1695 1 88 HIS QB 1 88 HIS HD2 3.400 . 4.800 2.822 2.731 3.118 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1696 1 88 HIS QB 1 89 HIS H 2.800 . 3.800 3.671 3.546 3.858 0.058 26 0 "[ . 1 . 2 . 3 . ]" 1 1697 1 88 HIS HD2 1 114 ASN HA 3.500 . 5.000 3.974 2.668 5.032 0.032 33 0 "[ . 1 . 2 . 3 . ]" 1 1698 1 89 HIS H 1 89 HIS HB2 2.900 . 4.000 2.635 2.502 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1699 1 89 HIS H 1 89 HIS HB3 3.000 . 4.100 3.677 3.547 3.797 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1700 1 89 HIS H 1 115 VAL HB 2.500 . 3.300 2.916 2.694 3.522 0.222 31 0 "[ . 1 . 2 . 3 . ]" 1 1701 1 89 HIS HA 1 89 HIS HB3 2.300 . 3.000 2.466 2.424 2.513 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1702 1 89 HIS HA 1 90 THR H 2.300 . 3.000 2.393 2.175 2.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1703 1 89 HIS HB2 1 89 HIS HD2 3.100 . 4.300 3.135 2.694 3.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1704 1 89 HIS HB2 1 90 THR H 3.100 . 4.300 3.650 3.167 3.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1705 1 89 HIS HB2 1 90 THR H 2.800 . 3.800 3.628 3.158 3.888 0.088 23 0 "[ . 1 . 2 . 3 . ]" 1 1706 1 89 HIS HB2 1 113 LEU HB3 3.000 . 4.100 4.051 3.384 4.215 0.115 15 0 "[ . 1 . 2 . 3 . ]" 1 1707 1 89 HIS HB2 1 113 LEU QD 3.300 . 4.700 4.024 3.651 4.451 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1708 1 89 HIS HB2 1 115 VAL QG 3.400 . 4.800 2.121 1.963 2.816 0.037 19 0 "[ . 1 . 2 . 3 . ]" 1 1709 1 89 HIS HB3 1 90 THR H 2.800 . 3.800 2.515 2.092 2.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1710 1 89 HIS HD2 1 115 VAL QG 2.800 . 3.800 2.554 1.862 3.479 0.038 28 0 "[ . 1 . 2 . 3 . ]" 1 1711 1 90 THR H 1 90 THR HA 2.900 . 4.000 2.881 2.859 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1712 1 90 THR H 1 90 THR HB 2.800 . 3.800 3.004 2.763 3.058 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1713 1 90 THR H 1 90 THR HB 2.300 . 3.000 2.900 2.729 2.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1714 1 90 THR H 1 90 THR MG 2.600 . 3.400 2.062 1.793 2.510 0.007 4 0 "[ . 1 . 2 . 3 . ]" 1 1715 1 90 THR H 1 91 LEU HA 2.700 . 3.600 2.907 2.844 2.918 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1716 1 90 THR H 1 92 GLU QG 3.100 . 4.100 3.811 3.596 3.917 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1717 1 90 THR H 1 111 LEU QD 2.600 . 3.400 2.893 2.067 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1718 1 90 THR HA 1 90 THR MG 2.700 . 3.600 2.340 2.301 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1719 1 90 THR HA 1 91 LEU H 2.400 . 3.100 2.260 2.179 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1720 1 90 THR HA 1 104 PRO HG3 3.100 . 4.300 4.100 3.717 4.398 0.098 33 0 "[ . 1 . 2 . 3 . ]" 1 1721 1 90 THR HB 1 90 THR MG 2.300 . 3.000 2.132 2.127 2.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1722 1 90 THR HB 1 110 THR MG 3.200 . 4.500 3.854 3.338 4.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1723 1 90 THR MG 1 91 LEU HA 3.300 . 4.700 3.450 3.163 3.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1724 1 90 THR MG 1 92 GLU QG 2.900 . 3.600 2.669 2.032 3.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1725 1 90 THR MG 1 92 GLU QG 2.700 . 3.600 2.667 2.031 3.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1726 1 90 THR MG 1 93 LEU H 3.200 . 4.500 3.289 1.993 3.523 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1727 1 90 THR MG 1 93 LEU HB2 2.900 . 4.000 2.284 2.082 2.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1728 1 90 THR MG 1 109 TYR HA 3.300 . 4.700 4.251 3.489 4.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1729 1 90 THR MG 1 110 THR MG 2.500 . 3.300 1.871 1.749 2.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1730 1 90 THR MG 1 111 LEU H 3.200 . 4.500 3.503 2.001 4.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1731 1 91 LEU H 1 91 LEU HB2 2.800 . 3.800 3.035 2.711 3.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1732 1 91 LEU H 1 91 LEU HB3 2.700 . 3.600 2.522 2.352 2.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1733 1 91 LEU H 1 91 LEU HG 3.000 . 4.100 3.389 2.982 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1734 1 91 LEU H 1 92 GLU H 2.900 . 4.000 2.818 2.192 3.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1735 1 91 LEU H 1 110 THR MG 3.000 . 4.100 3.015 2.646 3.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1736 1 91 LEU H 1 111 LEU HB2 3.200 . 4.500 4.456 2.200 4.713 0.213 7 0 "[ . 1 . 2 . 3 . ]" 1 1737 1 91 LEU H 1 111 LEU HG 3.100 . 4.300 4.052 3.583 4.348 0.048 23 0 "[ . 1 . 2 . 3 . ]" 1 1738 1 91 LEU H 1 111 LEU H 2.700 . 3.600 3.245 2.207 3.646 0.046 12 0 "[ . 1 . 2 . 3 . ]" 1 1739 1 91 LEU H 1 111 LEU HB3 3.000 . 4.100 3.272 1.979 3.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1740 1 91 LEU HA 1 91 LEU HB2 2.600 . 3.400 2.418 2.349 2.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1741 1 91 LEU HA 1 91 LEU HB3 3.000 . 4.100 3.010 2.999 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1742 1 91 LEU HA 1 91 LEU HB3 2.600 . 3.400 2.916 2.754 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1743 1 91 LEU HA 1 91 LEU QD . . 3.100 2.182 1.893 2.397 0.007 4 0 "[ . 1 . 2 . 3 . ]" 1 1744 1 91 LEU HA 1 91 LEU HG 3.100 . 4.300 3.119 2.813 3.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1745 1 91 LEU HA 1 92 GLU H 2.100 . 2.700 2.250 2.126 2.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1746 1 91 LEU HB2 1 91 LEU HG 2.400 . 3.100 2.952 2.231 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1747 1 91 LEU HB2 1 111 LEU HB3 3.000 . 4.100 3.254 2.412 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1748 1 91 LEU HB3 1 91 LEU HG 2.500 . 3.300 2.558 2.459 2.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1749 1 91 LEU HB3 1 110 THR MG 2.700 . 3.600 2.143 1.817 2.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1750 1 91 LEU HB3 1 111 LEU HB2 3.100 . 4.300 3.283 1.786 3.806 0.114 23 0 "[ . 1 . 2 . 3 . ]" 1 1751 1 91 LEU HB3 1 111 LEU HB3 2.700 . 3.600 1.816 1.682 3.440 0.118 34 0 "[ . 1 . 2 . 3 . ]" 1 1752 1 91 LEU HB3 1 112 HIS H 3.200 . 4.500 2.376 2.148 3.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1753 1 91 LEU HB3 1 113 LEU H 3.300 . 4.700 4.070 3.793 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1754 1 91 LEU QD 1 91 LEU HG 2.000 . 2.500 1.890 1.881 1.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1755 1 91 LEU MD1 1 92 GLU H 2.700 . 3.600 3.420 2.559 4.517 0.917 26 2 "[ . 1 .- 2 .+ 3 . ]" 1 1756 1 91 LEU HG 1 93 LEU QD 2.600 . 3.400 2.663 1.930 3.424 0.024 26 0 "[ . 1 . 2 . 3 . ]" 1 1757 1 92 GLU H 1 92 GLU QG 2.700 . 3.600 2.270 1.721 3.439 0.079 29 0 "[ . 1 . 2 . 3 . ]" 1 1758 1 92 GLU HA 1 92 GLU QG 2.900 . 3.800 2.566 2.235 3.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1759 1 92 GLU QG 1 110 THR MG 3.000 . 4.100 2.215 1.820 3.576 0.080 4 0 "[ . 1 . 2 . 3 . ]" 1 1760 1 93 LEU H 1 93 LEU HA 3.000 . 4.100 2.936 2.860 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1761 1 93 LEU H 1 93 LEU HB2 2.800 . 3.800 2.487 2.284 2.726 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1762 1 93 LEU H 1 93 LEU HB3 2.900 . 4.000 3.671 3.547 3.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1763 1 93 LEU H 1 93 LEU HG 2.800 . 3.800 3.047 2.410 4.217 0.417 9 0 "[ . 1 . 2 . 3 . ]" 1 1764 1 93 LEU H 1 109 TYR H 3.200 . 4.500 3.482 2.300 3.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1765 1 93 LEU HA 1 93 LEU HB2 3.000 . 4.100 3.013 2.995 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1766 1 93 LEU HA 1 93 LEU HB3 3.000 . 4.100 2.523 2.398 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1767 1 93 LEU HA 1 93 LEU QD 2.600 . 3.400 1.983 1.895 2.540 0.105 6 0 "[ . 1 . 2 . 3 . ]" 1 1768 1 93 LEU HA 1 93 LEU HG 2.800 . 3.800 3.062 2.454 3.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1769 1 93 LEU HA 1 94 VAL H 2.300 . 3.000 2.241 2.123 2.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1770 1 93 LEU HA 1 94 VAL QG 3.300 . 4.700 3.388 2.940 3.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1771 1 93 LEU HB2 1 93 LEU QD 2.800 . 3.300 2.303 2.093 2.395 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1772 1 93 LEU HB2 1 93 LEU HG 2.300 . 3.000 2.467 2.367 3.011 0.011 4 0 "[ . 1 . 2 . 3 . ]" 1 1773 1 93 LEU HB2 1 94 VAL H 3.200 . 4.500 4.051 3.278 4.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1774 1 93 LEU HB2 1 109 TYR HB2 3.000 . 4.100 3.752 3.372 4.059 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1775 1 93 LEU HB2 1 109 TYR HB3 2.600 . 3.400 2.060 1.762 2.380 0.038 31 0 "[ . 1 . 2 . 3 . ]" 1 1776 1 93 LEU HB2 1 109 TYR QD 3.400 . 4.800 2.341 1.982 3.245 0.018 24 0 "[ . 1 . 2 . 3 . ]" 1 1777 1 93 LEU HB3 1 93 LEU QD 2.800 . 3.400 2.119 2.084 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1778 1 93 LEU HB3 1 93 LEU HG 2.400 . 3.100 2.987 2.401 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1779 1 93 LEU HB3 1 94 VAL H 3.000 . 4.100 3.008 2.268 3.838 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1780 1 93 LEU HB3 1 94 VAL H 2.800 . 3.800 2.729 2.239 3.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1781 1 93 LEU HB3 1 94 VAL HA 2.400 . 3.100 2.473 2.333 2.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1782 1 93 LEU HB3 1 109 TYR HB3 3.100 . 4.300 2.891 2.416 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1783 1 93 LEU HB3 1 109 TYR HB3 2.700 . 3.600 2.932 2.426 3.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1784 1 93 LEU QD 1 94 VAL H 3.100 . 4.300 3.338 2.801 4.080 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1785 1 93 LEU QD 1 109 TYR QD 3.100 . 4.300 1.959 1.866 2.770 0.034 27 0 "[ . 1 . 2 . 3 . ]" 1 1786 1 93 LEU QD 1 109 TYR QE 3.800 . 5.600 2.860 2.434 4.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1787 1 94 VAL H 1 94 VAL HB 2.800 . 3.800 3.314 3.006 3.712 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1788 1 94 VAL H 1 94 VAL QG 2.500 . 3.300 2.227 1.710 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1789 1 94 VAL HA 1 94 VAL HB 2.600 . 3.400 2.520 2.394 2.925 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1790 1 94 VAL HA 1 94 VAL QG 2.500 . 3.300 2.276 2.079 2.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1791 1 94 VAL HA 1 95 TYR H 2.300 . 3.000 2.304 2.211 2.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1792 1 94 VAL HA 1 108 ARG HA 2.500 . 3.300 2.461 1.715 2.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1793 1 94 VAL HA 1 109 TYR H 3.200 . 4.500 3.635 3.412 4.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1794 1 94 VAL HB 1 94 VAL QG 2.200 . 2.800 1.894 1.888 1.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1795 1 94 VAL HB 1 94 VAL QG 2.100 . 2.700 1.880 1.563 1.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1796 1 94 VAL HB 1 95 TYR H 3.300 . 4.700 3.556 2.322 3.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1797 1 94 VAL QG 1 95 TYR H 3.300 . 3.400 2.162 1.888 2.912 0.012 1 0 "[ . 1 . 2 . 3 . ]" 1 1798 1 94 VAL QG 1 96 THR HB 2.500 . 3.300 2.637 2.288 3.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1799 1 94 VAL QG 1 102 ILE MD 2.400 . 3.100 2.810 2.391 3.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1800 1 94 VAL QG 1 103 LYS H 3.300 . 4.700 3.702 3.019 4.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1801 1 94 VAL QG 1 106 ASN HA 3.300 . 4.700 4.589 4.202 4.756 0.056 32 0 "[ . 1 . 2 . 3 . ]" 1 1802 1 94 VAL QG 1 106 ASN HB2 2.600 . 3.400 2.876 2.423 3.061 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1803 1 94 VAL QG 1 106 ASN HB3 2.300 . 3.000 2.751 2.230 3.134 0.134 30 0 "[ . 1 . 2 . 3 . ]" 1 1804 1 94 VAL QG 1 108 ARG HA 3.400 . 4.800 2.999 2.521 3.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1805 1 94 VAL QG 1 108 ARG QD 3.200 . 4.500 3.174 2.484 3.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1806 1 95 TYR H 1 95 TYR HB2 2.500 . 3.300 2.571 2.343 2.676 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1807 1 95 TYR H 1 95 TYR HB3 2.800 . 3.800 2.740 2.600 3.112 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1808 1 95 TYR H 1 107 GLU HB3 3.000 . 4.100 3.485 2.903 4.198 0.098 20 0 "[ . 1 . 2 . 3 . ]" 1 1809 1 95 TYR H 1 108 ARG HA 3.100 . 4.300 3.669 2.403 4.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1810 1 95 TYR HA 1 95 TYR HD1 2.800 . 3.800 2.001 1.817 2.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1811 1 95 TYR HA 1 96 THR H 2.200 . 2.800 2.288 2.232 2.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1812 1 95 TYR HA 1 96 THR MG 3.600 . 5.200 3.848 3.696 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1813 1 95 TYR HB2 1 95 TYR QD 2.800 . 3.800 2.736 2.429 2.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1814 1 95 TYR HB3 1 95 TYR QD 2.800 . 3.800 2.320 2.286 2.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1815 1 95 TYR HB3 1 107 GLU HB2 3.000 . 4.100 2.458 1.933 3.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1816 1 95 TYR HB3 1 107 GLU QB 2.900 . 4.000 2.325 1.913 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1817 1 95 TYR HB3 1 107 GLU HB3 3.100 . 4.300 3.125 2.448 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1818 1 95 TYR HD1 1 96 THR H 3.100 . 4.300 3.842 3.329 4.303 0.003 7 0 "[ . 1 . 2 . 3 . ]" 1 1819 1 96 THR H 1 96 THR HA 2.800 . 3.800 2.950 2.900 2.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1820 1 96 THR H 1 96 THR HA 2.500 . 3.300 2.284 2.179 2.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1821 1 96 THR H 1 96 THR HB 2.700 . 3.600 2.935 2.717 3.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1822 1 96 THR H 1 96 THR MG 2.900 . 4.000 2.043 1.755 2.229 0.045 7 0 "[ . 1 . 2 . 3 . ]" 1 1823 1 96 THR H 1 96 THR MG 2.500 . 3.300 2.029 1.751 2.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1824 1 96 THR H 1 102 ILE MD 4.000 . 6.000 5.124 4.848 5.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1825 1 96 THR HA 1 96 THR HB 2.700 . 3.600 2.403 2.341 2.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1826 1 96 THR HA 1 97 ARG H 2.700 . 3.600 2.381 2.243 2.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1827 1 96 THR HB 1 96 THR MG 2.200 . 2.800 2.120 2.102 2.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1828 1 96 THR HB 1 102 ILE HG12 3.300 . 4.700 2.493 1.862 3.255 0.038 30 0 "[ . 1 . 2 . 3 . ]" 1 1829 1 96 THR HB 1 102 ILE MG 3.200 . 4.500 1.826 1.787 1.932 0.113 32 0 "[ . 1 . 2 . 3 . ]" 1 1830 1 96 THR MG 1 97 ARG H 3.300 . 4.700 3.536 3.061 3.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1831 1 96 THR MG 1 97 ARG HA 3.300 . 4.700 4.097 3.835 4.349 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1832 1 96 THR MG 1 98 PRO HA 3.300 . 4.700 3.899 3.696 4.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1833 1 96 THR MG 1 98 PRO QD 2.800 . 3.800 2.768 2.591 3.159 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1834 1 96 THR MG 1 98 PRO HG2 2.800 . 3.800 3.379 3.005 3.817 0.017 7 0 "[ . 1 . 2 . 3 . ]" 1 1835 1 96 THR MG 1 102 ILE MG 3.000 . 4.100 2.969 2.466 3.421 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1836 1 97 ARG H 1 97 ARG HA 2.800 . 3.800 2.928 2.897 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1837 1 97 ARG H 1 97 ARG HB2 2.700 . 3.600 2.465 2.183 2.650 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1838 1 97 ARG H 1 97 ARG HB3 3.000 . 4.100 3.629 3.116 3.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1839 1 97 ARG H 1 97 ARG HG2 3.100 . 4.300 3.830 3.493 4.570 0.270 7 0 "[ . 1 . 2 . 3 . ]" 1 1840 1 97 ARG H 1 97 ARG HG3 3.000 . 4.100 2.772 2.372 4.149 0.049 7 0 "[ . 1 . 2 . 3 . ]" 1 1841 1 97 ARG HA 1 97 ARG HB2 3.000 . 4.100 3.010 2.792 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1842 1 97 ARG HA 1 97 ARG HB3 3.000 . 4.100 2.513 2.432 2.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1843 1 97 ARG HA 1 97 ARG HG2 2.800 . 3.800 2.533 2.370 2.622 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1844 1 97 ARG HA 1 97 ARG HG3 3.000 . 4.100 3.060 2.503 3.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1845 1 97 ARG HA 1 98 PRO QD 2.600 . 3.400 1.987 1.784 2.087 0.016 29 0 "[ . 1 . 2 . 3 . ]" 1 1846 1 97 ARG HB2 1 97 ARG HD2 2.800 . 3.800 3.659 2.699 3.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1847 1 97 ARG HB2 1 97 ARG HD3 2.800 . 3.800 2.547 2.420 3.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1848 1 97 ARG HB2 1 97 ARG HE 3.000 . 4.100 3.278 2.001 4.539 0.439 7 0 "[ . 1 . 2 . 3 . ]" 1 1849 1 97 ARG HB2 1 97 ARG HG2 3.000 . 4.100 3.009 2.996 3.011 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1850 1 97 ARG HB2 1 97 ARG HG3 2.600 . 3.400 2.427 2.365 2.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1851 1 97 ARG HB2 1 100 GLU H 3.500 . 5.000 3.177 2.564 4.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1852 1 97 ARG HB2 1 100 GLU QB 2.500 . 3.300 2.262 1.720 3.483 0.183 14 0 "[ . 1 . 2 . 3 . ]" 1 1853 1 97 ARG HB3 1 97 ARG HD2 2.900 . 4.000 3.648 2.515 3.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1854 1 97 ARG HB3 1 97 ARG HD3 2.700 . 3.600 3.024 2.312 3.696 0.096 11 0 "[ . 1 . 2 . 3 . ]" 1 1855 1 97 ARG HB3 1 97 ARG HE 3.200 . 4.500 2.138 1.909 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1856 1 97 ARG HB3 1 97 ARG HG2 2.700 . 3.600 2.454 2.405 2.523 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1857 1 97 ARG HB3 1 97 ARG HG3 2.900 . 4.000 3.008 3.001 3.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1858 1 97 ARG HB3 1 98 PRO HA 3.400 . 4.800 3.675 3.517 4.015 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1859 1 97 ARG HB3 1 98 PRO HG2 2.800 . 3.800 2.861 2.178 3.406 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1860 1 97 ARG HB3 1 100 GLU QB 2.600 . 3.400 2.868 2.178 3.417 0.017 33 0 "[ . 1 . 2 . 3 . ]" 1 1861 1 97 ARG HD2 1 97 ARG HE 2.600 . 3.400 2.816 2.756 2.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1862 1 97 ARG HD2 1 97 ARG HG2 2.500 . 3.300 2.463 2.415 3.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1863 1 97 ARG HD2 1 97 ARG HG3 2.600 . 3.400 2.443 2.345 3.014 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1864 1 97 ARG HD3 1 97 ARG HE 2.700 . 3.600 2.773 2.666 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1865 1 97 ARG HD3 1 97 ARG HG2 2.600 . 3.400 2.989 2.460 3.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1866 1 97 ARG HD3 1 97 ARG HG3 2.600 . 3.400 2.460 2.417 2.999 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1867 1 97 ARG HE 1 97 ARG HG2 3.000 . 4.100 2.587 2.296 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1868 1 97 ARG HE 1 97 ARG HG3 2.900 . 4.000 3.553 2.605 3.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1869 1 98 PRO HA 1 98 PRO HB2 2.500 . 3.300 2.955 2.788 3.002 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1870 1 98 PRO HA 1 98 PRO HB3 2.300 . 3.000 2.304 2.250 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1871 1 98 PRO HA 1 98 PRO HG2 2.300 . 3.000 2.180 2.160 2.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1872 1 98 PRO HA 1 98 PRO HG2 2.900 . 4.000 3.764 3.687 3.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1873 1 98 PRO HA 1 99 PHE H 2.800 . 3.800 3.530 3.490 3.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1874 1 98 PRO HA 1 100 GLU H 3.600 . 5.200 4.324 3.437 5.251 0.051 14 0 "[ . 1 . 2 . 3 . ]" 1 1875 1 98 PRO HB2 1 99 PHE H 2.900 . 4.000 2.755 2.113 3.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1876 1 98 PRO HB2 1 99 PHE H 2.800 . 3.800 2.737 2.110 3.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1877 1 98 PRO HB3 1 99 PHE H 2.800 . 3.800 3.550 3.320 3.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1878 1 98 PRO HB3 1 100 GLU H 2.500 . 3.300 2.788 2.326 3.799 0.499 5 0 "[ . 1 . 2 . 3 . ]" 1 1879 1 98 PRO QD 1 98 PRO HG2 2.500 . 3.300 2.191 2.171 2.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1880 1 98 PRO QD 1 98 PRO HG3 2.500 . 2.800 2.206 2.170 2.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1881 1 98 PRO QD 1 99 PHE H 3.100 . 4.300 3.059 2.729 3.428 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1882 1 98 PRO HG2 1 99 PHE H 3.000 . 4.100 3.643 2.535 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1883 1 99 PHE H 1 99 PHE HA 2.500 . 3.300 2.841 2.782 2.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1884 1 99 PHE H 1 99 PHE HB2 2.400 . 3.100 2.635 2.330 3.505 0.405 3 0 "[ . 1 . 2 . 3 . ]" 1 1885 1 99 PHE H 1 99 PHE HB3 2.400 . 3.100 3.375 2.222 3.550 0.450 16 0 "[ . 1 . 2 . 3 . ]" 1 1886 1 99 PHE H 1 99 PHE QD 3.000 . 4.100 2.332 1.884 4.154 0.054 14 0 "[ . 1 . 2 . 3 . ]" 1 1887 1 99 PHE H 1 100 GLU H 2.700 . 3.600 2.632 2.391 2.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1888 1 99 PHE HA 1 99 PHE HB2 2.300 . 3.000 2.917 2.314 3.021 0.021 19 0 "[ . 1 . 2 . 3 . ]" 1 1889 1 99 PHE HA 1 99 PHE HB3 2.300 . 3.000 2.465 2.228 3.019 0.019 14 0 "[ . 1 . 2 . 3 . ]" 1 1890 1 99 PHE HA 1 100 GLU H 2.900 . 4.000 3.440 3.044 3.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1891 1 99 PHE HB2 1 99 PHE QD 2.700 . 3.600 2.421 2.265 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1892 1 99 PHE HB3 1 99 PHE QD 2.600 . 3.400 2.370 2.310 2.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1893 1 100 GLU H 1 100 GLU HA 2.600 . 3.400 2.918 2.837 2.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1894 1 100 GLU H 1 100 GLU QB 2.300 . 3.000 2.538 2.228 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1895 1 100 GLU H 1 101 GLY H 2.400 . 3.100 2.559 1.671 3.100 0.029 37 0 "[ . 1 . 2 . 3 . ]" 1 1896 1 100 GLU HA 1 100 GLU QB 2.200 . 2.800 2.369 2.170 2.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1897 1 100 GLU HA 1 101 GLY H 2.900 . 4.000 3.464 3.210 3.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1898 1 100 GLU QB 1 100 GLU QG 1.900 . 2.400 2.011 1.988 2.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1899 1 100 GLU QB 1 101 GLY H 2.600 . 3.400 2.333 1.758 3.489 0.089 8 0 "[ . 1 . 2 . 3 . ]" 1 1900 1 100 GLU QB 1 103 LYS QE 2.700 . 3.600 3.680 3.611 3.789 0.189 14 0 "[ . 1 . 2 . 3 . ]" 1 1901 1 101 GLY H 1 101 GLY HA2 2.500 . 3.300 2.858 2.727 2.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1902 1 101 GLY H 1 101 GLY HA3 2.400 . 3.100 2.650 2.319 2.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1903 1 101 GLY H 1 102 ILE H 3.300 . 4.700 4.415 4.322 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1904 1 101 GLY HA2 1 102 ILE H 2.500 . 3.300 2.516 2.372 2.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1905 1 101 GLY HA2 1 102 ILE HG13 3.100 . 4.300 4.076 3.853 4.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1906 1 101 GLY HA3 1 102 ILE H 2.400 . 3.100 2.575 2.448 2.740 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1907 1 101 GLY HA3 1 102 ILE HB 3.500 . 5.000 5.113 5.021 5.261 0.261 30 0 "[ . 1 . 2 . 3 . ]" 1 1908 1 101 GLY HA3 1 102 ILE HG13 2.300 . 3.000 3.191 3.120 3.302 0.302 20 0 "[ . 1 . 2 . 3 . ]" 1 1909 1 102 ILE H 1 102 ILE HA 2.800 . 3.800 2.920 2.876 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1910 1 102 ILE H 1 102 ILE HB 2.200 . 2.800 2.740 2.623 2.832 0.032 8 0 "[ . 1 . 2 . 3 . ]" 1 1911 1 102 ILE H 1 102 ILE MD 3.100 . 4.300 3.464 3.181 3.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1912 1 102 ILE H 1 102 ILE HG12 2.600 . 3.400 3.420 3.230 3.503 0.103 34 0 "[ . 1 . 2 . 3 . ]" 1 1913 1 102 ILE H 1 102 ILE HG13 2.300 . 3.000 2.032 1.794 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1914 1 102 ILE H 1 102 ILE MG 3.000 . 4.100 3.818 3.767 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1915 1 102 ILE HA 1 102 ILE HB 3.000 . 4.100 2.995 2.975 3.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1916 1 102 ILE HA 1 102 ILE HB 2.300 . 3.000 2.975 2.820 2.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1917 1 102 ILE HA 1 102 ILE MD 3.400 . 4.800 3.951 3.885 4.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1918 1 102 ILE HA 1 102 ILE HG12 2.500 . 3.300 2.813 2.660 3.035 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1919 1 102 ILE HA 1 102 ILE HG13 2.800 . 3.800 3.110 2.932 3.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1920 1 102 ILE HA 1 102 ILE MG 2.600 . 3.400 2.122 2.053 2.184 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1921 1 102 ILE HA 1 103 LYS H 2.200 . 2.800 2.316 2.105 3.520 0.720 33 2 "[ . 1 . - . 3 + . ]" 1 1922 1 102 ILE HB 1 102 ILE MD 2.300 . 3.000 2.342 2.261 2.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1923 1 102 ILE HB 1 102 ILE MG 2.200 . 2.800 2.113 2.091 2.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1924 1 102 ILE HB 1 103 LYS H 3.000 . 4.100 3.553 1.777 4.130 0.123 20 0 "[ . 1 . 2 . 3 . ]" 1 1925 1 102 ILE HB 1 103 LYS H 2.900 . 4.000 3.349 1.771 3.623 0.029 20 0 "[ . 1 . 2 . 3 . ]" 1 1926 1 102 ILE MD 1 102 ILE HG13 2.100 . 2.700 2.123 2.119 2.126 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1927 1 102 ILE MG 1 103 LYS H 2.800 . 3.800 2.256 1.977 3.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1928 1 102 ILE MG 1 103 LYS H 2.600 . 3.400 2.249 1.975 3.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1929 1 102 ILE MG 1 103 LYS HA 3.600 . 5.200 3.811 3.647 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1930 1 102 ILE MG 1 103 LYS QG 3.200 . 4.500 4.134 3.458 4.776 0.276 20 0 "[ . 1 . 2 . 3 . ]" 1 1931 1 102 ILE MG 1 106 ASN HB2 3.200 . 4.500 3.227 2.743 3.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1932 1 102 ILE MG 1 106 ASN HB3 3.200 . 4.500 3.725 3.171 4.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1933 1 103 LYS H 1 103 LYS HA 2.900 . 4.000 2.898 2.273 2.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1934 1 103 LYS H 1 103 LYS HB2 2.700 . 3.600 2.431 2.103 3.094 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1935 1 103 LYS H 1 103 LYS HB3 2.400 . 3.100 3.500 3.270 3.730 0.630 35 14 "[ * *.* ** * *** * . * 3-* + ]" 1 1936 1 103 LYS H 1 103 LYS QG 2.600 . 3.400 2.679 2.016 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1937 1 103 LYS H 1 103 LYS QG 2.500 . 3.300 2.631 1.978 3.180 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1938 1 103 LYS H 1 105 GLU QG 2.900 . 4.000 2.626 2.154 3.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1939 1 103 LYS H 1 106 ASN HB2 2.400 . 3.100 2.284 2.188 2.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1940 1 103 LYS HA 1 103 LYS HB2 2.800 . 3.800 2.984 2.738 3.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1941 1 103 LYS HA 1 103 LYS HB3 2.900 . 4.000 2.380 2.233 2.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1942 1 103 LYS HA 1 103 LYS QG 2.700 . 3.600 2.658 2.386 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1943 1 103 LYS HA 1 104 PRO HD2 2.600 . 3.400 2.864 2.408 3.321 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1944 1 103 LYS HA 1 104 PRO HD3 2.500 . 3.300 2.210 1.912 2.516 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1945 1 103 LYS HA 1 104 PRO HG2 3.200 . 4.500 4.649 4.536 4.960 0.460 28 0 "[ . 1 . 2 . 3 . ]" 1 1946 1 103 LYS HB2 1 103 LYS QE 2.400 . 3.100 3.187 1.987 4.080 0.980 19 15 "[ *.*- ** *** *+2 * . * 3* *.* ]" 1 1947 1 103 LYS HB2 1 104 PRO QD 2.300 . 3.000 3.062 2.123 3.372 0.372 1 0 "[ . 1 . 2 . 3 . ]" 1 1948 1 103 LYS HB2 1 105 GLU H 2.700 . 3.600 3.290 2.135 3.628 0.028 37 0 "[ . 1 . 2 . 3 . ]" 1 1949 1 103 LYS HB2 1 105 GLU H 2.200 . 2.800 2.464 2.046 2.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1950 1 103 LYS HB2 1 106 ASN H 2.800 . 3.800 2.907 2.554 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1951 1 103 LYS HB3 1 104 PRO HD3 2.900 . 4.000 2.834 2.281 3.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1952 1 103 LYS HB3 1 104 PRO HD3 2.600 . 3.400 2.914 2.291 3.526 0.126 8 0 "[ . 1 . 2 . 3 . ]" 1 1953 1 103 LYS HB3 1 105 GLU H 3.000 . 4.100 3.261 2.770 3.788 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1954 1 103 LYS HB3 1 106 ASN HD22 3.500 . 5.000 4.092 3.596 5.349 0.349 18 0 "[ . 1 . 2 . 3 . ]" 1 1955 1 103 LYS QD 1 103 LYS QG 1.900 . 2.400 2.035 2.016 2.050 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1956 1 103 LYS QE 1 103 LYS QG 2.500 . 3.300 2.217 2.088 2.775 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1957 1 103 LYS QG 1 104 PRO HD2 3.000 . 4.100 3.803 2.990 4.511 0.411 4 0 "[ . 1 . 2 . 3 . ]" 1 1958 1 104 PRO HA 1 104 PRO HB2 2.500 . 3.300 2.821 2.686 2.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1959 1 104 PRO HA 1 104 PRO HB3 2.300 . 3.000 2.286 2.263 2.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1960 1 104 PRO HA 1 104 PRO HD3 3.200 . 4.500 3.729 3.451 3.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1961 1 104 PRO HA 1 104 PRO HG2 3.000 . 4.100 3.745 3.465 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1962 1 104 PRO HA 1 105 GLU H 2.500 . 3.300 2.702 2.668 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1963 1 104 PRO HA 1 105 GLU QG 2.400 . 3.100 3.230 2.501 3.257 0.157 4 0 "[ . 1 . 2 . 3 . ]" 1 1964 1 104 PRO HA 1 106 ASN H 3.000 . 4.100 3.171 2.879 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1965 1 104 PRO HB2 1 105 GLU H 2.900 . 4.000 2.923 2.412 3.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1966 1 104 PRO HB3 1 104 PRO HG2 2.200 . 2.800 2.847 2.658 2.995 0.195 33 0 "[ . 1 . 2 . 3 . ]" 1 1967 1 104 PRO HB3 1 104 PRO HG3 2.000 . 2.500 2.313 2.279 2.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1968 1 104 PRO HB3 1 105 GLU H 2.800 . 3.800 4.007 3.836 4.241 0.441 8 0 "[ . 1 . 2 . 3 . ]" 1 1969 1 104 PRO HD2 1 104 PRO HG2 2.100 . 2.700 2.309 2.256 2.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1970 1 104 PRO HD2 1 105 GLU H 3.100 . 4.300 2.467 1.984 2.928 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1971 1 104 PRO HD3 1 105 GLU H 3.000 . 4.100 3.783 3.509 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1972 1 104 PRO HG2 1 105 GLU H 3.100 . 4.300 2.961 2.114 3.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1973 1 105 GLU H 1 105 GLU HA 2.500 . 3.300 2.804 2.759 2.874 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1974 1 105 GLU H 1 105 GLU QB 2.200 . 2.800 2.581 2.522 2.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1975 1 105 GLU H 1 105 GLU QG 2.400 . 3.100 1.887 1.829 1.963 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1976 1 105 GLU H 1 106 ASN H 2.600 . 3.400 2.665 2.517 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1977 1 105 GLU HA 1 105 GLU HB2 2.100 . 2.700 2.508 2.461 3.018 0.318 7 0 "[ . 1 . 2 . 3 . ]" 1 1978 1 105 GLU HA 1 105 GLU QB 2.000 . 2.500 2.111 2.079 2.244 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1979 1 105 GLU HA 1 105 GLU HB3 2.300 . 3.000 2.389 2.357 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1980 1 105 GLU HA 1 105 GLU QG 2.300 . 3.000 3.275 2.507 3.299 0.299 2 0 "[ . 1 . 2 . 3 . ]" 1 1981 1 105 GLU HA 1 106 ASN H 3.300 . 4.700 3.372 3.105 3.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1982 1 105 GLU QB 1 105 GLU QG 2.000 . 2.500 2.077 2.076 2.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1983 1 105 GLU QG 1 106 ASN H 2.900 . 4.000 2.641 2.156 4.052 0.052 7 0 "[ . 1 . 2 . 3 . ]" 1 1984 1 106 ASN H 1 106 ASN HA 2.800 . 3.800 2.804 2.744 2.914 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1985 1 106 ASN H 1 106 ASN HB2 2.700 . 3.600 2.426 2.298 2.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1986 1 106 ASN H 1 106 ASN HB3 2.800 . 3.800 3.583 3.562 3.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1987 1 106 ASN H 1 107 GLU H 2.900 . 4.000 3.899 3.457 4.074 0.074 21 0 "[ . 1 . 2 . 3 . ]" 1 1988 1 106 ASN HA 1 106 ASN HB2 2.800 . 3.800 3.017 3.004 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1989 1 106 ASN HA 1 106 ASN HB3 2.600 . 3.400 2.524 2.461 2.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1990 1 106 ASN HA 1 106 ASN HD21 2.700 . 3.600 2.136 1.723 3.660 0.077 8 0 "[ . 1 . 2 . 3 . ]" 1 1991 1 106 ASN HA 1 106 ASN HD22 2.800 . 3.800 3.506 3.366 4.136 0.336 18 0 "[ . 1 . 2 . 3 . ]" 1 1992 1 106 ASN HA 1 107 GLU H 2.500 . 3.300 2.257 2.158 2.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1993 1 106 ASN HB2 1 107 GLU H 3.000 . 4.100 3.992 3.651 4.163 0.063 29 0 "[ . 1 . 2 . 3 . ]" 1 1994 1 106 ASN HB3 1 107 GLU H 3.000 . 4.100 2.848 2.455 3.174 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1995 1 107 GLU H 1 107 GLU HA 2.800 . 3.800 2.780 2.738 2.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1996 1 107 GLU H 1 107 GLU HB2 2.400 . 3.100 2.100 2.043 2.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1997 1 107 GLU H 1 107 GLU HB3 2.400 . 3.100 3.154 2.646 3.431 0.331 22 0 "[ . 1 . 2 . 3 . ]" 1 1998 1 107 GLU H 1 107 GLU QG 2.800 . 3.800 3.707 3.505 4.041 0.241 28 0 "[ . 1 . 2 . 3 . ]" 1 1999 1 107 GLU HA 1 107 GLU HB2 2.500 . 3.300 2.789 2.551 2.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2000 1 107 GLU HA 1 107 GLU HB3 2.600 . 3.400 2.866 2.664 3.010 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2001 1 107 GLU HA 1 107 GLU HG2 2.600 . 3.400 3.218 2.543 3.646 0.246 28 0 "[ . 1 . 2 . 3 . ]" 1 2002 1 107 GLU HA 1 107 GLU QG 2.700 . 3.600 2.212 2.125 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2003 1 107 GLU HA 1 107 GLU HG3 3.000 . 4.100 2.269 2.171 3.050 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2004 1 107 GLU HA 1 108 ARG H 2.100 . 2.700 2.423 2.300 2.656 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2005 1 107 GLU HA 1 108 ARG HB3 3.200 . 4.500 4.322 3.801 4.524 0.024 30 0 "[ . 1 . 2 . 3 . ]" 1 2006 1 107 GLU HB2 1 108 ARG H 2.900 . 4.000 3.956 3.507 4.110 0.110 30 0 "[ . 1 . 2 . 3 . ]" 1 2007 1 107 GLU HB3 1 107 GLU HG2 2.400 . 3.100 2.339 2.265 2.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2008 1 107 GLU HB3 1 107 GLU QG 2.300 . 3.000 2.208 2.140 2.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2009 1 107 GLU HB3 1 107 GLU HG3 2.300 . 3.000 2.762 2.371 3.007 0.007 23 0 "[ . 1 . 2 . 3 . ]" 1 2010 1 107 GLU HB3 1 108 ARG H 2.900 . 4.000 2.867 1.992 3.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2011 1 107 GLU QG 1 108 ARG H 3.100 . 4.300 2.497 1.851 3.125 0.049 31 0 "[ . 1 . 2 . 3 . ]" 1 2012 1 107 GLU HG2 1 108 ARG H 2.900 . 4.000 3.098 1.888 4.035 0.035 36 0 "[ . 1 . 2 . 3 . ]" 1 2013 1 107 GLU HG3 1 108 ARG H 2.600 . 3.400 2.949 1.878 3.402 0.002 33 0 "[ . 1 . 2 . 3 . ]" 1 2014 1 108 ARG H 1 108 ARG HB2 2.600 . 3.400 2.938 1.697 3.232 0.103 22 0 "[ . 1 . 2 . 3 . ]" 1 2015 1 108 ARG H 1 108 ARG HB3 2.400 . 3.100 2.673 2.578 3.018 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2016 1 108 ARG H 1 108 ARG QD 2.900 . 4.000 2.816 1.943 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2017 1 108 ARG H 1 108 ARG QG 2.800 . 3.800 1.741 1.638 2.461 0.162 14 0 "[ . 1 . 2 . 3 . ]" 1 2018 1 108 ARG HA 1 108 ARG HB2 2.400 . 3.100 2.461 2.262 2.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2019 1 108 ARG HA 1 108 ARG HB3 2.900 . 4.000 2.988 2.421 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2020 1 108 ARG HA 1 108 ARG HB3 2.300 . 3.000 2.509 2.348 2.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2021 1 108 ARG HA 1 108 ARG QD 2.800 . 3.800 2.642 2.347 3.992 0.192 22 0 "[ . 1 . 2 . 3 . ]" 1 2022 1 108 ARG HA 1 108 ARG QG 3.000 . 4.000 2.739 2.448 3.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2023 1 108 ARG HA 1 109 TYR H 2.200 . 2.800 2.370 2.246 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2024 1 108 ARG HB2 1 108 ARG QD 2.400 . 3.100 2.505 1.984 3.161 0.061 22 0 "[ . 1 . 2 . 3 . ]" 1 2025 1 108 ARG HB3 1 108 ARG QD 2.500 . 3.300 3.338 1.948 3.493 0.193 14 0 "[ . 1 . 2 . 3 . ]" 1 2026 1 108 ARG HB3 1 108 ARG QD 1.900 . 2.400 1.992 1.770 2.063 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2027 1 108 ARG HB3 1 108 ARG HE 2.600 . 3.400 2.343 2.141 2.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2028 1 108 ARG HB3 1 109 TYR H 2.500 . 3.300 1.750 1.636 2.695 0.064 14 0 "[ . 1 . 2 . 3 . ]" 1 2029 1 108 ARG QD 1 108 ARG HE 2.200 . 2.800 2.485 2.450 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2030 1 108 ARG QD 1 108 ARG QG 2.200 . 2.800 2.019 1.997 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2031 1 108 ARG HE 1 108 ARG QG 2.900 . 3.800 2.411 2.159 2.582 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2032 1 108 ARG QG 1 109 TYR H 2.600 . 3.400 1.760 1.639 2.859 0.161 14 0 "[ . 1 . 2 . 3 . ]" 1 2033 1 109 TYR H 1 109 TYR HB2 3.000 . 4.100 3.470 3.381 3.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2034 1 109 TYR H 1 109 TYR HB3 3.000 . 4.100 3.158 2.843 3.254 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2035 1 109 TYR HA 1 109 TYR HB2 3.000 . 4.100 2.483 2.357 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2036 1 109 TYR HA 1 110 THR H 2.400 . 3.100 2.343 2.099 2.454 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2037 1 109 TYR HB2 1 109 TYR QD 2.600 . 3.400 2.376 2.271 2.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2038 1 109 TYR HB3 1 109 TYR QD 2.200 . 2.800 2.412 2.347 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2039 1 109 TYR HB3 1 109 TYR QE 3.400 . 4.800 4.422 4.406 4.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2040 1 109 TYR QE 1 111 LEU HB2 3.100 . 4.300 2.986 2.441 4.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2041 1 109 TYR QE 1 111 LEU HB3 3.400 . 4.800 4.114 3.641 4.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2042 1 109 TYR QE 1 111 LEU QD 4.000 . 4.700 3.108 2.028 3.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2043 1 110 THR H 1 110 THR HB 2.400 . 3.100 2.869 2.567 3.447 0.347 23 0 "[ . 1 . 2 . 3 . ]" 1 2044 1 110 THR H 1 110 THR MG 3.200 . 4.500 3.680 3.061 3.819 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2045 1 110 THR HA 1 110 THR HB 2.600 . 3.400 2.949 2.656 3.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2046 1 110 THR HA 1 110 THR MG 2.700 . 3.600 2.240 2.145 2.350 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2047 1 110 THR HA 1 111 LEU H 2.200 . 2.800 2.220 2.149 2.312 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2048 1 110 THR HB 1 110 THR MG 2.300 . 3.000 2.132 2.123 2.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2049 1 110 THR MG 1 111 LEU H 2.800 . 3.800 3.348 1.893 3.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2050 1 111 LEU H 1 111 LEU HB2 2.800 . 3.800 2.780 2.270 3.508 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2051 1 111 LEU H 1 111 LEU HB2 2.600 . 3.400 2.746 2.226 3.375 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2052 1 111 LEU H 1 111 LEU HB3 2.700 . 3.600 2.450 2.281 3.530 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2053 1 111 LEU HA 1 111 LEU HB2 2.600 . 3.400 2.417 2.346 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2054 1 111 LEU HA 1 111 LEU QD 2.700 . 3.600 2.103 1.852 2.287 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2055 1 111 LEU HA 1 112 HIS H 2.500 . 3.300 2.218 2.059 2.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2056 1 111 LEU HB2 1 111 LEU QD 2.200 . 2.800 2.125 2.101 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2057 1 111 LEU HB2 1 112 HIS H 2.800 . 3.800 3.794 3.108 3.983 0.183 23 0 "[ . 1 . 2 . 3 . ]" 1 2058 1 111 LEU HB3 1 111 LEU HG 2.400 . 3.100 2.451 2.407 3.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2059 1 111 LEU QD 1 113 LEU HB3 2.500 . 3.300 2.701 2.161 3.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2060 1 112 HIS H 1 112 HIS HB2 2.700 . 3.600 2.380 2.149 3.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2061 1 112 HIS H 1 112 HIS HB3 2.700 . 3.600 3.444 2.598 3.616 0.016 7 0 "[ . 1 . 2 . 3 . ]" 1 2062 1 112 HIS H 1 112 HIS HD2 3.100 . 4.300 2.830 2.131 3.428 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2063 1 112 HIS HA 1 112 HIS HB3 1.900 . 2.400 2.573 2.327 2.676 0.276 4 0 "[ . 1 . 2 . 3 . ]" 1 2064 1 112 HIS HA 1 113 LEU H 2.400 . 3.100 2.244 2.135 2.680 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2065 1 113 LEU H 1 113 LEU HA 2.200 . 2.800 2.154 2.094 2.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2066 1 113 LEU H 1 113 LEU HB2 2.800 . 3.800 2.785 2.542 2.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2067 1 113 LEU H 1 113 LEU HB2 2.600 . 3.400 2.756 2.528 2.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2068 1 113 LEU H 1 113 LEU HB3 2.600 . 3.400 3.396 3.236 3.538 0.138 31 0 "[ . 1 . 2 . 3 . ]" 1 2069 1 113 LEU H 1 113 LEU QD 2.900 . 4.000 3.601 3.272 3.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2070 1 113 LEU H 1 113 LEU QD 2.700 . 3.600 3.259 3.159 3.366 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2071 1 113 LEU H 1 113 LEU HG 2.800 . 3.800 3.194 2.594 3.395 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2072 1 113 LEU HA 1 113 LEU HB2 3.000 . 4.100 3.016 3.004 3.020 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2073 1 113 LEU HA 1 113 LEU HB3 2.800 . 3.800 2.480 2.363 2.531 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2074 1 113 LEU HA 1 113 LEU QD 3.000 . 4.100 1.988 1.899 2.181 0.001 7 0 "[ . 1 . 2 . 3 . ]" 1 2075 1 113 LEU HA 1 113 LEU HG 2.900 . 4.000 3.086 3.018 3.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2076 1 113 LEU HA 1 114 ASN H 2.500 . 3.300 2.222 2.147 2.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2077 1 113 LEU HB2 1 113 LEU QD 2.400 . 3.100 2.262 2.242 2.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2078 1 113 LEU HB2 1 113 LEU HG 2.400 . 3.100 2.481 2.453 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2079 1 113 LEU HB2 1 115 VAL QG 2.700 . 3.600 3.045 2.581 3.697 0.097 19 0 "[ . 1 . 2 . 3 . ]" 1 2080 1 113 LEU HB3 1 113 LEU QD 2.300 . 3.000 2.131 2.105 2.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2081 1 113 LEU HB3 1 113 LEU HG 2.400 . 3.100 3.023 3.014 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2082 1 114 ASN H 1 114 ASN HA 2.900 . 4.000 2.881 2.786 2.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2083 1 114 ASN H 1 114 ASN HB2 2.600 . 3.400 2.621 2.244 2.974 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2084 1 114 ASN H 1 114 ASN HB3 2.500 . 3.300 2.586 2.416 3.536 0.236 38 0 "[ . 1 . 2 . 3 . ]" 1 2085 1 114 ASN HA 1 115 VAL H 2.400 . 3.100 2.422 2.225 2.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2086 1 114 ASN HB2 1 114 ASN HD21 2.700 . 3.600 3.100 2.235 3.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2087 1 114 ASN HB2 1 114 ASN HD22 3.100 . 4.300 3.871 3.481 4.063 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2088 1 114 ASN HB3 1 114 ASN HD21 2.600 . 3.400 2.388 2.204 3.472 0.072 21 0 "[ . 1 . 2 . 3 . ]" 1 2089 1 114 ASN HB3 1 114 ASN HD22 3.100 . 4.300 3.549 3.469 4.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2090 1 114 ASN HD21 1 116 LYS QE 3.400 . 4.800 4.079 2.756 4.821 0.021 23 0 "[ . 1 . 2 . 3 . ]" 1 2091 1 114 ASN HD22 1 116 LYS QE 3.200 . 4.500 4.318 3.429 4.543 0.043 32 0 "[ . 1 . 2 . 3 . ]" 1 2092 1 115 VAL H 1 115 VAL HA 2.900 . 4.000 2.721 2.615 2.807 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2093 1 115 VAL H 1 115 VAL QG 2.600 . 3.400 1.761 1.725 1.896 0.075 23 0 "[ . 1 . 2 . 3 . ]" 1 2094 1 115 VAL HA 1 115 VAL QG 2.500 . 3.300 2.113 2.063 2.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2095 1 115 VAL HA 1 116 LYS H 2.100 . 2.700 2.167 2.133 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2096 1 115 VAL HA 1 116 LYS HA 3.600 . 5.200 4.376 4.334 4.419 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2097 1 116 LYS H 1 116 LYS HA 2.800 . 3.800 2.872 2.814 2.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2098 1 116 LYS H 1 116 LYS HB2 3.000 . 4.100 2.435 2.308 2.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2099 1 116 LYS H 1 116 LYS HB3 2.600 . 3.400 3.599 3.563 3.755 0.355 38 0 "[ . 1 . 2 . 3 . ]" 1 2100 1 116 LYS H 1 116 LYS QG 2.900 . 4.000 2.402 2.199 2.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2101 1 116 LYS H 1 116 LYS HG3 3.000 . 4.100 3.682 3.333 4.142 0.042 38 0 "[ . 1 . 2 . 3 . ]" 1 2102 1 116 LYS HA 1 116 LYS HB2 2.300 . 3.000 3.020 3.006 3.024 0.024 25 0 "[ . 1 . 2 . 3 . ]" 1 2103 1 116 LYS HA 1 116 LYS HB3 2.300 . 3.000 2.491 2.433 2.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2104 1 116 LYS HA 1 116 LYS QD 2.500 . 3.300 2.193 1.929 3.310 0.010 33 0 "[ . 1 . 2 . 3 . ]" 1 2105 1 116 LYS HA 1 116 LYS QG 2.400 . 3.100 2.838 2.609 3.015 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2106 1 116 LYS HB2 1 116 LYS QE 3.000 . 4.100 4.134 3.409 4.540 0.440 21 0 "[ . 1 . 2 . 3 . ]" 1 2107 1 116 LYS HB2 1 116 LYS HG2 2.100 . 2.700 2.506 2.419 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2108 1 116 LYS HB3 1 116 LYS QE 3.300 . 4.700 3.485 1.976 4.164 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2109 1 116 LYS HB3 1 116 LYS QG 2.000 . 2.500 2.379 2.320 2.472 . 0 0 "[ . 1 . 2 . 3 . ]" 1 stop_ save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 9:11:26 AM GMT (wattos1)