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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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402002 |
1w9r ![]() ![]() |
6528 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w9r 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 1891 _Distance_constraint_stats_list.Viol_count 4596 _Distance_constraint_stats_list.Viol_total 17342.461 _Distance_constraint_stats_list.Viol_max 5.803 _Distance_constraint_stats_list.Viol_rms 0.1766 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0254 _Distance_constraint_stats_list.Viol_average_violations_only 0.1986 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 SER 1.008 0.183 11 0 "[ . 1 . ]" 1 3 HIS 5.699 0.207 9 0 "[ . 1 . ]" 1 4 MET 5.582 0.220 7 0 "[ . 1 . ]" 1 5 PRO 2.377 0.184 18 0 "[ . 1 . ]" 1 6 GLU 19.926 1.023 7 10 "[ ** **+* 1 - .*** ]" 1 7 LYS 32.995 1.023 7 12 "[ ** **+*-1** .*** ]" 1 8 LYS 4.693 0.151 19 0 "[ . 1 . ]" 1 9 VAL 15.392 0.263 5 0 "[ . 1 . ]" 1 10 ALA 8.327 0.988 11 5 "[ * -. 1+ * *]" 1 11 GLU 9.547 0.988 11 5 "[ * -. 1+ * *]" 1 12 ALA 3.048 0.224 17 0 "[ . 1 . ]" 1 13 GLU 3.786 0.197 7 0 "[ . 1 . ]" 1 14 LYS 6.567 0.243 12 0 "[ . 1 . ]" 1 15 LYS 2.914 0.175 12 0 "[ . 1 . ]" 1 16 VAL 5.166 0.260 12 0 "[ . 1 . ]" 1 17 GLU 5.240 0.260 12 0 "[ . 1 . ]" 1 18 GLU 0.582 0.118 9 0 "[ . 1 . ]" 1 19 ALA 2.282 0.229 18 0 "[ . 1 . ]" 1 20 LYS 4.085 0.820 7 4 "[ . + 1 *. - *]" 1 21 LYS 1.618 0.525 17 1 "[ . 1 . + ]" 1 22 LYS 12.075 0.997 2 8 "[ +* * - 1 **.** ]" 1 23 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 24 GLU 2.168 0.255 10 0 "[ . 1 . ]" 1 25 ASP 9.953 0.997 2 8 "[ +* * - 1 **.** ]" 1 26 GLN 3.951 0.258 7 0 "[ . 1 . ]" 1 27 LYS 6.598 0.250 1 0 "[ . 1 . ]" 1 28 GLU 3.415 0.203 7 0 "[ . 1 . ]" 1 29 GLU 5.074 0.848 16 1 "[ . 1 .+ ]" 1 30 ASP 29.254 1.125 17 19 [***************-+**] 1 31 ARG 25.233 1.013 15 19 [**************+*-**] 1 32 ARG 54.450 1.246 11 19 [******-***+********] 1 33 ASN 11.889 0.848 16 3 "[ . - 1 *+ ]" 1 34 TYR 26.573 1.125 17 3 "[ . 1 * .-+ ]" 1 35 PRO 14.476 0.440 17 0 "[ . 1 . ]" 1 36 THR 10.691 0.898 13 1 "[ . 1 + . ]" 1 37 ASN 29.001 0.817 16 16 "[* ****-*******.+ **]" 1 38 THR 18.057 1.389 16 6 "[ . ***- .+ *]" 1 39 TYR 72.983 1.246 11 19 [*****-****+********] 1 40 LYS 18.695 0.830 18 7 "[* .- *1 * * +*]" 1 41 THR 13.515 1.389 16 6 "[ . ***- .+ *]" 1 42 LEU 46.853 4.131 4 2 "[ +. - 1 . ]" 1 43 GLU 2.680 0.282 16 0 "[ . 1 . ]" 1 44 LEU 4.172 0.258 7 0 "[ . 1 . ]" 1 45 GLU 6.381 0.214 8 0 "[ . 1 . ]" 1 46 ILE 32.937 4.162 4 1 "[ +. 1 . ]" 1 47 ALA 1.126 0.246 7 0 "[ . 1 . ]" 1 48 GLU 0.390 0.090 17 0 "[ . 1 . ]" 1 49 SER 3.533 0.722 4 1 "[ +. 1 . ]" 1 50 ASP 10.574 1.956 4 1 "[ +. 1 . ]" 1 51 VAL 7.121 0.267 12 0 "[ . 1 . ]" 1 52 GLU 5.288 0.159 13 0 "[ . 1 . ]" 1 53 VAL 4.641 0.311 9 0 "[ . 1 . ]" 1 54 LYS 14.182 0.378 8 0 "[ . 1 . ]" 1 55 LYS 9.132 0.378 8 0 "[ . 1 . ]" 1 56 ALA 5.270 0.176 8 0 "[ . 1 . ]" 1 57 GLU 7.639 0.239 9 0 "[ . 1 . ]" 1 58 LEU 13.047 0.774 18 4 "[ - *. 1 . +*]" 1 59 GLU 9.234 0.391 19 0 "[ . 1 . ]" 1 60 LEU 8.473 0.278 17 0 "[ . 1 . ]" 1 61 VAL 6.390 0.263 5 0 "[ . 1 . ]" 1 62 LYS 11.469 0.456 3 0 "[ . 1 . ]" 1 63 GLU 15.537 0.905 5 4 "[ * + 1 -*. ]" 1 64 GLU 14.653 0.946 3 6 "[ + * 1 **. * -]" 1 65 ALA 3.354 0.219 9 0 "[ . 1 . ]" 1 66 LYS 13.269 0.946 3 2 "[ + . 1 . - ]" 1 67 GLU 29.597 0.858 19 6 "[ .- * ** * +]" 1 68 PRO 43.296 2.347 4 9 "[* +.* * ** ** -]" 1 69 ARG 31.534 1.348 4 5 "[* +* 1 *. -]" 1 70 ASN 22.240 2.347 4 5 "[* +. -* .* ]" 1 71 GLU 8.747 2.228 4 1 "[ +. 1 . ]" 1 72 GLU 13.154 3.126 4 1 "[ +. 1 . ]" 1 73 LYS 67.386 3.144 4 19 [***+***************] 1 74 VAL 22.141 1.013 4 7 "[ *+** 1 .*- *]" 1 75 LYS 48.622 3.689 4 19 [***+***************] 1 76 GLN 11.713 4.531 4 1 "[ +. 1 . ]" 1 77 ALA 9.945 4.531 4 1 "[ +. 1 . ]" 1 78 LYS 24.895 3.909 4 1 "[ +. 1 . ]" 1 79 ALA 20.701 3.651 4 1 "[ +. 1 . ]" 1 80 GLU 23.419 4.090 4 1 "[ +. 1 . ]" 1 81 VAL 22.817 4.090 4 1 "[ +. 1 . ]" 1 82 GLU 32.989 3.909 4 1 "[ +. 1 . ]" 1 83 SER 20.868 3.381 4 1 "[ +. 1 . ]" 1 84 LYS 29.405 5.533 4 1 "[ +. 1 . ]" 1 85 LYS 48.717 5.771 4 1 "[ +. 1 . ]" 1 86 ALA 34.739 5.321 4 1 "[ +. 1 . ]" 1 87 GLU 39.696 5.803 4 1 "[ +. 1 . ]" 1 88 ALA 16.883 5.803 4 1 "[ +. 1 . ]" 1 89 THR 30.969 5.771 4 1 "[ +. 1 . ]" 1 90 ARG 7.974 5.740 4 3 "[ +. 1- *. ]" 1 91 LEU 17.869 1.322 4 3 "[ +. 1- *. ]" 1 92 GLU 22.280 4.162 4 1 "[ +. 1 . ]" 1 93 LYS 4.553 0.721 6 1 "[ .+ 1 . ]" 1 94 ILE 15.288 4.131 4 1 "[ +. 1 . ]" 1 95 LYS 11.051 3.171 4 1 "[ +. 1 . ]" 1 96 THR 2.373 0.197 11 0 "[ . 1 . ]" 1 97 ASP 5.159 0.786 14 5 "[** . * - +. ]" 1 98 ARG 5.766 0.786 14 5 "[** . * - +. ]" 1 99 LYS 0.373 0.089 5 0 "[ . 1 . ]" 1 100 LYS 1.275 0.122 4 0 "[ . 1 . ]" 1 101 ALA 0.810 0.073 14 0 "[ . 1 . ]" 1 102 GLU 3.220 0.910 18 1 "[ . 1 . + ]" 1 103 GLU 1.299 0.230 3 0 "[ . 1 . ]" 1 104 GLU 2.679 0.942 4 1 "[ +. 1 . ]" 1 105 ALA 0.040 0.040 1 0 "[ . 1 . ]" 1 107 ARG 1.459 0.139 15 0 "[ . 1 . ]" 1 108 LYS 1.426 0.171 16 0 "[ . 1 . ]" 1 109 ALA 2.299 0.149 12 0 "[ . 1 . ]" 1 110 ALA 1.923 0.171 14 0 "[ . 1 . ]" 1 111 GLU 3.869 0.172 3 0 "[ . 1 . ]" 1 112 GLU 0.566 0.088 13 0 "[ . 1 . ]" 1 113 ASP 3.238 0.182 6 0 "[ . 1 . ]" 1 114 LYS 7.461 0.634 8 1 "[ . + 1 . ]" 1 115 VAL 4.300 0.384 3 0 "[ . 1 . ]" 1 116 LYS 3.895 0.284 8 0 "[ . 1 . ]" 1 117 GLU 0.272 0.078 12 0 "[ . 1 . ]" 1 118 LYS 2.048 0.711 4 1 "[ +. 1 . ]" 1 119 PRO 0.000 0.000 . 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 SER H 1 2 SER HB3 3.900 . 6.000 3.657 2.816 4.057 . 0 0 "[ . 1 . ]" 1 2 1 2 SER HA 1 3 HIS H 2.650 . 3.500 2.639 2.150 3.293 . 0 0 "[ . 1 . ]" 1 3 1 3 HIS H 1 3 HIS HA 2.650 . 3.500 2.944 2.445 2.998 . 0 0 "[ . 1 . ]" 1 4 1 3 HIS H 1 3 HIS HB3 3.900 . 6.000 3.618 2.610 4.214 . 0 0 "[ . 1 . ]" 1 5 1 3 HIS H 1 3 HIS HB2 3.900 . 6.000 3.017 2.362 3.987 . 0 0 "[ . 1 . ]" 1 6 1 3 HIS H 1 4 MET HB2 3.900 . 6.000 4.682 3.855 5.574 . 0 0 "[ . 1 . ]" 1 7 1 3 HIS H 1 4 MET HG2 3.900 . 6.000 5.455 4.798 6.156 0.156 3 0 "[ . 1 . ]" 1 8 1 3 HIS H 1 4 MET HG3 3.900 . 6.000 6.087 5.731 6.207 0.207 9 0 "[ . 1 . ]" 1 9 1 3 HIS H 1 4 MET H 3.900 . 4.750 2.657 2.204 3.131 . 0 0 "[ . 1 . ]" 1 10 1 3 HIS H 1 5 PRO HB3 3.900 . 6.000 5.138 4.026 6.184 0.184 18 0 "[ . 1 . ]" 1 11 1 3 HIS H 1 5 PRO HD3 3.900 . 6.000 2.955 1.842 4.206 . 0 0 "[ . 1 . ]" 1 12 1 3 HIS HB3 1 4 MET H 3.900 . 6.000 3.095 2.215 4.465 . 0 0 "[ . 1 . ]" 1 13 1 3 HIS HB2 1 4 MET H 3.900 . 6.000 2.703 1.819 4.376 . 0 0 "[ . 1 . ]" 1 14 1 4 MET H 1 4 MET HA 2.650 . 3.500 2.759 2.486 2.927 . 0 0 "[ . 1 . ]" 1 15 1 4 MET H 1 4 MET HB3 2.650 . 3.500 3.355 2.634 3.720 0.220 7 0 "[ . 1 . ]" 1 16 1 4 MET H 1 4 MET HB2 2.650 . 3.500 3.125 2.235 3.598 0.098 14 0 "[ . 1 . ]" 1 17 1 4 MET H 1 4 MET HG2 3.900 . 6.000 4.348 3.746 5.296 . 0 0 "[ . 1 . ]" 1 18 1 4 MET H 1 4 MET HG3 3.900 . 6.000 4.769 3.910 5.313 . 0 0 "[ . 1 . ]" 1 19 1 4 MET H 1 5 PRO HB3 3.900 . 6.000 5.191 3.640 6.161 0.161 15 0 "[ . 1 . ]" 1 20 1 4 MET H 1 5 PRO HD3 3.900 . 6.000 3.464 2.810 3.692 . 0 0 "[ . 1 . ]" 1 21 1 4 MET H 1 5 PRO HD2 3.900 . 6.000 3.251 1.747 4.274 0.053 11 0 "[ . 1 . ]" 1 22 1 4 MET H 1 6 GLU HG2 3.900 . 6.000 5.715 3.890 6.206 0.206 7 0 "[ . 1 . ]" 1 23 1 4 MET H 1 7 LYS QB 3.900 . 6.000 4.090 3.415 4.821 . 0 0 "[ . 1 . ]" 1 24 1 4 MET H 1 7 LYS HD2 3.900 . 6.000 5.647 4.830 6.080 0.080 17 0 "[ . 1 . ]" 1 25 1 4 MET H 1 7 LYS QE 3.900 . 6.000 5.729 5.590 5.835 . 0 0 "[ . 1 . ]" 1 26 1 4 MET H 1 7 LYS QG 3.900 . 6.000 3.348 2.701 4.856 . 0 0 "[ . 1 . ]" 1 27 1 6 GLU HA 1 6 GLU HB3 2.150 . 2.900 2.528 2.384 2.985 0.085 13 0 "[ . 1 . ]" 1 28 1 6 GLU HA 1 6 GLU HB2 2.150 . 2.900 2.912 2.415 2.994 0.094 8 0 "[ . 1 . ]" 1 29 1 6 GLU HA 1 6 GLU HG2 2.150 . 2.900 2.891 2.237 3.073 0.173 7 0 "[ . 1 . ]" 1 30 1 6 GLU H 1 6 GLU HA 3.000 2.150 3.500 2.816 2.688 2.917 . 0 0 "[ . 1 . ]" 1 31 1 6 GLU HB3 1 6 GLU HG3 2.150 . 2.900 2.638 2.499 2.987 0.087 19 0 "[ . 1 . ]" 1 32 1 6 GLU H 1 6 GLU HB3 3.000 2.150 3.500 3.417 2.354 3.606 0.106 15 0 "[ . 1 . ]" 1 33 1 6 GLU HB2 1 6 GLU HG3 2.150 2.150 2.900 2.373 2.315 2.443 . 0 0 "[ . 1 . ]" 1 34 1 6 GLU H 1 6 GLU HB2 3.000 2.150 3.850 2.403 2.109 2.548 0.041 18 0 "[ . 1 . ]" 1 35 1 6 GLU HA 1 6 GLU HG3 3.000 2.150 3.850 3.495 2.194 3.827 . 0 0 "[ . 1 . ]" 1 36 1 6 GLU H 1 6 GLU HG3 3.000 2.150 3.850 3.459 2.278 4.100 0.250 7 0 "[ . 1 . ]" 1 37 1 3 HIS HB2 1 6 GLU H 3.900 . 6.000 6.025 5.490 6.175 0.175 19 0 "[ . 1 . ]" 1 38 1 4 MET HG2 1 6 GLU H 3.900 . 6.000 5.314 4.428 6.088 0.088 11 0 "[ . 1 . ]" 1 39 1 5 PRO HA 1 6 GLU H 2.650 . 3.500 3.433 3.221 3.598 0.098 13 0 "[ . 1 . ]" 1 40 1 5 PRO HB2 1 6 GLU H 3.900 . 6.000 3.726 3.205 4.103 . 0 0 "[ . 1 . ]" 1 41 1 5 PRO HD3 1 6 GLU H 3.900 . 6.000 4.155 3.842 4.445 . 0 0 "[ . 1 . ]" 1 42 1 5 PRO HD2 1 6 GLU H 3.900 . 6.000 3.300 2.621 3.860 . 0 0 "[ . 1 . ]" 1 43 1 5 PRO HG2 1 6 GLU H 2.650 . 3.500 2.871 1.840 3.526 0.026 6 0 "[ . 1 . ]" 1 44 1 6 GLU H 1 6 GLU HG2 3.900 . 6.000 2.492 1.852 4.468 . 0 0 "[ . 1 . ]" 1 45 1 6 GLU H 1 7 LYS HD2 3.900 . 6.000 5.231 4.356 5.910 . 0 0 "[ . 1 . ]" 1 46 1 6 GLU H 1 7 LYS QE 3.900 . 6.000 6.523 5.871 7.023 1.023 7 10 "[ ** **+* 1 - .*** ]" 1 47 1 6 GLU H 1 7 LYS QG 3.900 . 6.000 4.178 3.731 5.387 . 0 0 "[ . 1 . ]" 1 48 1 6 GLU H 1 7 LYS H . . 3.500 2.691 2.311 3.067 . 0 0 "[ . 1 . ]" 1 49 1 6 GLU H 1 9 VAL MG1 3.900 . 6.000 5.290 4.807 6.008 0.008 8 0 "[ . 1 . ]" 1 50 1 6 GLU H 1 9 VAL H 3.900 . 6.000 4.719 4.523 4.935 . 0 0 "[ . 1 . ]" 1 51 1 6 GLU O 1 10 ALA H 2.100 . 2.600 2.069 1.826 2.489 . 0 0 "[ . 1 . ]" 1 52 1 6 GLU O 1 10 ALA N 3.100 2.600 3.600 2.980 2.730 3.356 . 0 0 "[ . 1 . ]" 1 53 1 7 LYS HA 1 7 LYS QB 2.150 . 2.900 2.344 2.261 2.533 . 0 0 "[ . 1 . ]" 1 54 1 7 LYS HA 1 7 LYS HD2 2.150 . 2.900 2.129 2.041 2.281 . 0 0 "[ . 1 . ]" 1 55 1 7 LYS HA 1 7 LYS QE 3.000 2.150 3.850 2.785 2.582 3.256 . 0 0 "[ . 1 . ]" 1 56 1 7 LYS HA 1 7 LYS QG . 2.400 2.900 3.059 2.166 3.256 0.356 1 0 "[ . 1 . ]" 1 57 1 7 LYS H 1 7 LYS HA 3.000 2.150 3.500 2.878 2.826 2.927 . 0 0 "[ . 1 . ]" 1 58 1 7 LYS QB 1 7 LYS HD2 2.150 . 2.900 2.906 2.858 2.971 0.071 4 0 "[ . 1 . ]" 1 59 1 7 LYS QB 1 7 LYS QE . 2.150 2.900 2.309 2.127 3.394 0.494 9 0 "[ . 1 . ]" 1 60 1 7 LYS QB 1 7 LYS QG 2.150 . 2.900 1.995 1.958 2.023 . 0 0 "[ . 1 . ]" 1 61 1 7 LYS H 1 7 LYS QB 2.150 . 2.900 2.502 1.992 2.739 . 0 0 "[ . 1 . ]" 1 62 1 7 LYS HD2 1 7 LYS QE 2.150 . 2.900 2.303 2.218 2.327 . 0 0 "[ . 1 . ]" 1 63 1 7 LYS HD2 1 7 LYS QG 2.150 . 2.900 2.372 2.327 2.450 . 0 0 "[ . 1 . ]" 1 64 1 7 LYS H 1 7 LYS HD2 3.000 2.150 3.850 2.954 2.514 3.294 . 0 0 "[ . 1 . ]" 1 65 1 7 LYS QE 1 7 LYS QG . 2.400 2.900 2.036 1.815 2.169 0.585 11 2 "[ . -1+ . ]" 1 66 1 7 LYS H 1 7 LYS QG 3.000 2.150 3.850 2.172 1.791 3.467 0.359 1 0 "[ . 1 . ]" 1 67 1 3 HIS HB3 1 7 LYS H 3.900 . 6.000 5.935 4.366 6.129 0.129 11 0 "[ . 1 . ]" 1 68 1 3 HIS HB2 1 7 LYS H 3.900 . 6.000 5.467 3.834 6.130 0.130 10 0 "[ . 1 . ]" 1 69 1 5 PRO HD3 1 7 LYS H 3.900 . 6.000 5.487 5.290 6.154 0.154 1 0 "[ . 1 . ]" 1 70 1 5 PRO HD2 1 7 LYS H 3.900 . 6.000 5.091 4.255 5.888 . 0 0 "[ . 1 . ]" 1 71 1 6 GLU HA 1 7 LYS H 2.650 . 3.500 3.536 3.441 3.594 0.094 4 0 "[ . 1 . ]" 1 72 1 6 GLU HG2 1 7 LYS H 3.900 . 6.000 4.213 3.269 4.782 . 0 0 "[ . 1 . ]" 1 73 1 7 LYS H 1 7 LYS QE 3.900 . 6.000 4.301 4.115 4.404 . 0 0 "[ . 1 . ]" 1 74 1 7 LYS H 1 8 LYS H 2.650 . 3.500 2.729 2.561 2.872 . 0 0 "[ . 1 . ]" 1 75 1 7 LYS H 1 10 ALA H 3.900 . 6.000 4.746 4.604 4.942 . 0 0 "[ . 1 . ]" 1 76 1 7 LYS O 1 11 GLU H 2.100 . 2.600 2.089 1.926 2.655 0.055 4 0 "[ . 1 . ]" 1 77 1 7 LYS O 1 11 GLU N 3.100 2.600 3.600 3.096 2.937 3.592 . 0 0 "[ . 1 . ]" 1 78 1 5 PRO HG2 1 8 LYS H 3.900 . 6.000 5.820 5.577 6.049 0.049 7 0 "[ . 1 . ]" 1 79 1 6 GLU HG2 1 8 LYS H 3.900 . 6.000 6.056 5.529 6.151 0.151 19 0 "[ . 1 . ]" 1 80 1 7 LYS HA 1 8 LYS H 3.900 . 6.000 3.541 3.509 3.592 . 0 0 "[ . 1 . ]" 1 81 1 7 LYS HD2 1 8 LYS H 3.900 . 6.000 4.881 4.684 5.100 . 0 0 "[ . 1 . ]" 1 82 1 8 LYS H 1 8 LYS HA 2.650 . 3.500 2.894 2.826 2.977 . 0 0 "[ . 1 . ]" 1 83 1 8 LYS H 1 8 LYS HB3 2.650 . 3.500 3.082 2.417 3.588 0.088 18 0 "[ . 1 . ]" 1 84 1 8 LYS H 1 8 LYS HD2 3.900 . 6.000 4.150 3.362 4.936 . 0 0 "[ . 1 . ]" 1 85 1 8 LYS H 1 8 LYS HE2 3.900 . 6.000 5.646 5.187 6.081 0.081 8 0 "[ . 1 . ]" 1 86 1 8 LYS H 1 8 LYS HG3 3.900 . 6.000 4.213 3.808 4.587 . 0 0 "[ . 1 . ]" 1 87 1 8 LYS H 1 8 LYS HG2 3.900 . 6.000 3.560 2.419 4.661 . 0 0 "[ . 1 . ]" 1 88 1 8 LYS H 1 9 VAL HA 3.900 . 6.000 5.321 5.063 5.495 . 0 0 "[ . 1 . ]" 1 89 1 8 LYS H 1 9 VAL MG1 3.900 . 6.000 4.955 4.175 5.868 . 0 0 "[ . 1 . ]" 1 90 1 8 LYS H 1 9 VAL H . . 3.500 2.679 2.335 2.952 . 0 0 "[ . 1 . ]" 1 91 1 8 LYS H 1 11 GLU H . 3.950 5.650 4.870 4.720 5.082 . 0 0 "[ . 1 . ]" 1 92 1 8 LYS O 1 12 ALA H 2.100 . 2.600 1.996 1.847 2.350 . 0 0 "[ . 1 . ]" 1 93 1 8 LYS O 1 12 ALA N 3.100 2.600 3.600 2.976 2.828 3.282 . 0 0 "[ . 1 . ]" 1 94 1 9 VAL HA 1 9 VAL HB 3.000 2.150 3.850 2.573 2.346 3.044 . 0 0 "[ . 1 . ]" 1 95 1 9 VAL HA 1 9 VAL MG1 3.000 2.150 3.850 2.227 2.110 2.454 0.040 16 0 "[ . 1 . ]" 1 96 1 9 VAL H 1 9 VAL HA 3.000 2.150 3.850 2.907 2.878 2.930 . 0 0 "[ . 1 . ]" 1 97 1 9 VAL HA 1 58 LEU HA 3.900 . 6.000 4.278 3.665 4.780 . 0 0 "[ . 1 . ]" 1 98 1 9 VAL HB 1 9 VAL MG1 2.150 . 2.900 2.140 2.113 2.173 . 0 0 "[ . 1 . ]" 1 99 1 9 VAL H 1 9 VAL MG1 3.000 2.150 3.850 2.889 2.315 3.862 0.012 3 0 "[ . 1 . ]" 1 100 1 9 VAL MG1 1 61 VAL HA 3.900 . 6.000 5.051 4.241 6.105 0.105 3 0 "[ . 1 . ]" 1 101 1 9 VAL HA 1 9 VAL MG2 3.000 2.150 3.850 3.008 2.170 3.294 . 0 0 "[ . 1 . ]" 1 102 1 9 VAL HB 1 9 VAL MG2 3.000 2.150 3.850 2.124 2.091 2.184 0.059 12 0 "[ . 1 . ]" 1 103 1 9 VAL H 1 9 VAL MG2 3.000 2.150 3.850 2.194 2.060 2.390 0.090 1 0 "[ . 1 . ]" 1 104 1 5 PRO HB3 1 9 VAL H 3.900 . 6.000 5.424 4.802 5.878 . 0 0 "[ . 1 . ]" 1 105 1 5 PRO HG2 1 9 VAL H 3.900 . 6.000 5.980 5.269 6.087 0.087 13 0 "[ . 1 . ]" 1 106 1 6 GLU HG2 1 9 VAL H 3.900 . 6.000 5.912 5.428 6.093 0.093 14 0 "[ . 1 . ]" 1 107 1 7 LYS QB 1 9 VAL H 3.900 . 6.000 4.768 4.506 4.950 . 0 0 "[ . 1 . ]" 1 108 1 7 LYS HD2 1 9 VAL H 3.900 . 6.000 6.172 6.082 6.237 0.237 6 0 "[ . 1 . ]" 1 109 1 8 LYS HA 1 9 VAL H 3.900 . 6.000 3.591 3.506 3.682 . 0 0 "[ . 1 . ]" 1 110 1 8 LYS HB2 1 9 VAL H 3.900 . 6.000 3.373 2.567 4.120 . 0 0 "[ . 1 . ]" 1 111 1 8 LYS HD2 1 9 VAL H 3.900 . 6.000 5.570 5.171 6.056 0.056 3 0 "[ . 1 . ]" 1 112 1 8 LYS HE2 1 9 VAL H 3.900 . 6.000 5.897 5.472 6.144 0.144 12 0 "[ . 1 . ]" 1 113 1 9 VAL H 1 9 VAL HB 2.650 . 3.500 3.355 2.404 3.681 0.181 16 0 "[ . 1 . ]" 1 114 1 9 VAL H 1 10 ALA HA 3.900 . 6.000 5.301 5.207 5.416 . 0 0 "[ . 1 . ]" 1 115 1 9 VAL H 1 10 ALA MB 3.900 . 6.000 4.293 4.165 4.431 . 0 0 "[ . 1 . ]" 1 116 1 9 VAL H 1 10 ALA H 2.650 . 3.400 2.627 2.507 2.763 . 0 0 "[ . 1 . ]" 1 117 1 9 VAL H 1 58 LEU HB3 3.900 . 6.000 5.915 5.610 6.168 0.168 15 0 "[ . 1 . ]" 1 118 1 9 VAL H 1 61 VAL MG1 3.900 . 6.000 3.515 2.777 4.270 . 0 0 "[ . 1 . ]" 1 119 1 9 VAL H 1 61 VAL MG2 3.900 . 6.000 5.419 4.563 6.040 0.040 8 0 "[ . 1 . ]" 1 120 1 9 VAL H 1 62 LYS HA 3.900 . 6.000 5.770 5.088 6.103 0.103 1 0 "[ . 1 . ]" 1 121 1 9 VAL O 1 13 GLU H 2.100 . 2.600 2.317 1.874 2.682 0.082 4 0 "[ . 1 . ]" 1 122 1 9 VAL O 1 13 GLU N 3.100 2.600 3.600 2.811 2.698 2.990 . 0 0 "[ . 1 . ]" 1 123 1 10 ALA HA 1 10 ALA MB 2.150 . 2.900 2.146 2.136 2.155 . 0 0 "[ . 1 . ]" 1 124 1 10 ALA H 1 10 ALA HA 2.150 . 2.900 2.874 2.802 2.945 0.045 4 0 "[ . 1 . ]" 1 125 1 10 ALA H 1 10 ALA MB 3.000 2.150 3.850 2.240 2.201 2.327 . 0 0 "[ . 1 . ]" 1 126 1 7 LYS QB 1 10 ALA H 3.900 . 6.000 5.041 4.777 5.289 . 0 0 "[ . 1 . ]" 1 127 1 7 LYS HD2 1 10 ALA H 3.900 . 6.000 5.436 5.138 5.654 . 0 0 "[ . 1 . ]" 1 128 1 8 LYS HE3 1 10 ALA H 3.900 . 6.000 5.924 5.513 6.124 0.124 6 0 "[ . 1 . ]" 1 129 1 9 VAL HA 1 10 ALA H 3.900 . 6.000 3.555 3.480 3.614 . 0 0 "[ . 1 . ]" 1 130 1 9 VAL HB 1 10 ALA H 2.650 . 3.500 3.513 2.817 3.750 0.250 14 0 "[ . 1 . ]" 1 131 1 9 VAL MG2 1 10 ALA H 3.900 . 6.000 2.813 2.213 4.152 . 0 0 "[ . 1 . ]" 1 132 1 10 ALA H 1 11 GLU HG3 3.900 . 6.000 5.603 4.555 6.988 0.988 11 5 "[ * -. 1+ * *]" 1 133 1 10 ALA H 1 11 GLU H . . 3.500 2.784 2.381 3.118 . 0 0 "[ . 1 . ]" 1 134 1 10 ALA H 1 13 GLU H 3.900 . 6.000 4.663 4.435 4.919 . 0 0 "[ . 1 . ]" 1 135 1 10 ALA H 1 61 VAL MG1 3.900 . 6.000 5.548 4.983 6.031 0.031 4 0 "[ . 1 . ]" 1 136 1 10 ALA O 1 14 LYS H 2.100 . 2.600 2.473 2.232 2.663 0.063 19 0 "[ . 1 . ]" 1 137 1 10 ALA O 1 14 LYS N 3.100 2.600 3.600 3.305 3.034 3.544 . 0 0 "[ . 1 . ]" 1 138 1 7 LYS HD2 1 11 GLU H 3.900 . 6.000 6.079 6.004 6.150 0.150 9 0 "[ . 1 . ]" 1 139 1 8 LYS HB2 1 11 GLU H 3.900 . 6.000 5.918 5.721 6.024 0.024 1 0 "[ . 1 . ]" 1 140 1 8 LYS HE3 1 11 GLU H 3.900 . 6.000 4.828 4.093 5.545 . 0 0 "[ . 1 . ]" 1 141 1 10 ALA HA 1 11 GLU H 3.900 . 6.000 3.630 3.583 3.683 . 0 0 "[ . 1 . ]" 1 142 1 10 ALA MB 1 11 GLU H 3.900 . 6.000 2.466 2.362 2.599 . 0 0 "[ . 1 . ]" 1 143 1 11 GLU H 1 11 GLU HA 2.650 . 3.500 2.862 2.826 2.886 . 0 0 "[ . 1 . ]" 1 144 1 11 GLU H 1 11 GLU HB3 2.650 . 3.500 2.925 2.181 3.600 0.100 17 0 "[ . 1 . ]" 1 145 1 11 GLU H 1 11 GLU HB2 2.650 . 3.500 2.824 2.375 3.613 0.113 16 0 "[ . 1 . ]" 1 146 1 11 GLU H 1 11 GLU HG3 3.900 . 6.000 3.193 2.149 4.528 . 0 0 "[ . 1 . ]" 1 147 1 11 GLU H 1 11 GLU HG2 3.900 . 6.000 3.346 2.232 4.277 . 0 0 "[ . 1 . ]" 1 148 1 11 GLU H 1 12 ALA MB 3.900 . 6.000 4.559 4.468 4.624 . 0 0 "[ . 1 . ]" 1 149 1 11 GLU H 1 12 ALA H . . 3.400 2.894 2.776 2.979 . 0 0 "[ . 1 . ]" 1 150 1 11 GLU O 1 15 LYS H 2.100 . 2.600 2.580 2.456 2.682 0.082 7 0 "[ . 1 . ]" 1 151 1 11 GLU O 1 15 LYS N 3.100 2.600 3.600 3.525 3.388 3.622 0.022 1 0 "[ . 1 . ]" 1 152 1 12 ALA MB 1 58 LEU HB3 3.900 . 6.000 3.239 2.108 3.733 . 0 0 "[ . 1 . ]" 1 153 1 12 ALA MB 1 58 LEU HB2 3.900 . 6.000 4.403 2.614 5.016 . 0 0 "[ . 1 . ]" 1 154 1 8 LYS HB2 1 12 ALA H 3.900 . 6.000 5.945 5.692 6.097 0.097 5 0 "[ . 1 . ]" 1 155 1 9 VAL MG1 1 12 ALA H 3.900 . 6.000 4.997 4.727 5.274 . 0 0 "[ . 1 . ]" 1 156 1 10 ALA MB 1 12 ALA H 3.900 . 6.000 4.630 4.440 4.763 . 0 0 "[ . 1 . ]" 1 157 1 11 GLU HA 1 12 ALA H 3.900 . 6.000 3.612 3.529 3.655 . 0 0 "[ . 1 . ]" 1 158 1 11 GLU HB3 1 12 ALA H 3.900 . 6.000 3.472 2.650 4.199 . 0 0 "[ . 1 . ]" 1 159 1 11 GLU HB2 1 12 ALA H 3.900 . 6.000 3.393 2.510 4.222 . 0 0 "[ . 1 . ]" 1 160 1 11 GLU HG3 1 12 ALA H 3.900 . 6.000 3.912 2.614 4.632 . 0 0 "[ . 1 . ]" 1 161 1 11 GLU HG2 1 12 ALA H 3.900 . 6.000 3.859 2.356 5.075 . 0 0 "[ . 1 . ]" 1 162 1 12 ALA H 1 13 GLU HB3 3.900 . 6.000 4.806 4.361 5.131 . 0 0 "[ . 1 . ]" 1 163 1 12 ALA H 1 13 GLU H . . 3.400 2.771 2.469 2.972 . 0 0 "[ . 1 . ]" 1 164 1 12 ALA H 1 58 LEU MD1 3.900 . 6.000 4.376 4.059 5.834 . 0 0 "[ . 1 . ]" 1 165 1 12 ALA H 1 61 VAL MG1 3.900 . 6.000 5.414 4.550 6.026 0.026 18 0 "[ . 1 . ]" 1 166 1 12 ALA O 1 16 VAL H 2.100 . 2.600 2.111 1.892 2.607 0.007 8 0 "[ . 1 . ]" 1 167 1 12 ALA O 1 16 VAL N 3.100 2.600 3.600 3.013 2.831 3.492 . 0 0 "[ . 1 . ]" 1 168 1 9 VAL MG2 1 13 GLU H 3.900 . 6.000 5.484 4.950 6.116 0.116 3 0 "[ . 1 . ]" 1 169 1 12 ALA MB 1 13 GLU H 3.900 . 6.000 3.226 2.906 3.439 . 0 0 "[ . 1 . ]" 1 170 1 13 GLU H 1 13 GLU HB3 3.900 . 6.000 2.336 2.180 2.426 . 0 0 "[ . 1 . ]" 1 171 1 13 GLU H 1 13 GLU HB2 3.900 . 6.000 2.927 2.656 3.158 . 0 0 "[ . 1 . ]" 1 172 1 13 GLU H 1 13 GLU HG2 3.900 . 6.000 4.224 4.137 4.288 . 0 0 "[ . 1 . ]" 1 173 1 13 GLU H 1 13 GLU HG3 3.900 . 6.000 4.594 4.463 4.652 . 0 0 "[ . 1 . ]" 1 174 1 13 GLU H 1 14 LYS QD 3.900 . 6.000 5.015 4.616 5.829 . 0 0 "[ . 1 . ]" 1 175 1 13 GLU H 1 14 LYS HE2 3.900 . 6.000 5.620 3.740 6.105 0.105 3 0 "[ . 1 . ]" 1 176 1 13 GLU H 1 14 LYS QG 3.900 . 6.000 4.919 4.383 5.744 . 0 0 "[ . 1 . ]" 1 177 1 13 GLU H 1 14 LYS H . . 3.500 2.213 2.015 2.573 . 0 0 "[ . 1 . ]" 1 178 1 13 GLU H 1 16 VAL H 3.900 . 6.000 4.436 4.193 4.617 . 0 0 "[ . 1 . ]" 1 179 1 13 GLU O 1 17 GLU H 2.100 . 2.600 2.285 1.927 2.616 0.016 13 0 "[ . 1 . ]" 1 180 1 13 GLU O 1 17 GLU N 3.100 2.600 3.600 2.934 2.832 3.152 . 0 0 "[ . 1 . ]" 1 181 1 11 GLU HG3 1 14 LYS H 3.900 . 6.000 5.799 4.895 6.165 0.165 17 0 "[ . 1 . ]" 1 182 1 11 GLU HG2 1 14 LYS H 3.900 . 6.000 5.867 5.327 6.072 0.072 7 0 "[ . 1 . ]" 1 183 1 13 GLU HA 1 14 LYS H 3.900 . 6.000 3.472 3.434 3.531 . 0 0 "[ . 1 . ]" 1 184 1 13 GLU HB3 1 14 LYS H 3.900 . 6.000 2.879 2.733 3.033 . 0 0 "[ . 1 . ]" 1 185 1 13 GLU HB2 1 14 LYS H 3.900 . 6.000 4.084 3.970 4.200 . 0 0 "[ . 1 . ]" 1 186 1 13 GLU HG2 1 14 LYS H 2.650 . 3.500 3.620 3.595 3.697 0.197 7 0 "[ . 1 . ]" 1 187 1 14 LYS H 1 14 LYS HA 2.650 . 3.500 2.888 2.855 2.934 . 0 0 "[ . 1 . ]" 1 188 1 14 LYS H 1 14 LYS HB3 2.650 . 3.500 2.513 1.936 3.470 . 0 0 "[ . 1 . ]" 1 189 1 14 LYS H 1 14 LYS QD 3.900 . 6.000 3.757 3.554 4.185 . 0 0 "[ . 1 . ]" 1 190 1 14 LYS H 1 14 LYS HE2 3.900 . 6.000 4.454 2.316 5.230 . 0 0 "[ . 1 . ]" 1 191 1 14 LYS H 1 14 LYS QG 3.900 . 6.000 3.299 2.699 3.791 . 0 0 "[ . 1 . ]" 1 192 1 14 LYS H 1 15 LYS QG 3.900 . 6.000 5.867 5.683 5.972 . 0 0 "[ . 1 . ]" 1 193 1 14 LYS H 1 15 LYS H 2.650 . 3.500 2.544 2.469 2.654 . 0 0 "[ . 1 . ]" 1 194 1 14 LYS O 1 18 GLU H 2.100 . 2.600 2.450 2.110 2.637 0.037 2 0 "[ . 1 . ]" 1 195 1 14 LYS O 1 18 GLU N 3.100 2.600 3.600 3.381 3.085 3.567 . 0 0 "[ . 1 . ]" 1 196 1 13 GLU HB2 1 15 LYS H 3.900 . 6.000 5.899 5.583 6.044 0.044 16 0 "[ . 1 . ]" 1 197 1 13 GLU HG2 1 15 LYS H 3.900 . 6.000 5.511 5.259 5.791 . 0 0 "[ . 1 . ]" 1 198 1 14 LYS HB2 1 15 LYS H 3.900 . 6.000 3.627 2.776 4.166 . 0 0 "[ . 1 . ]" 1 199 1 14 LYS QG 1 15 LYS H 3.900 . 6.000 3.082 2.042 4.428 . 0 0 "[ . 1 . ]" 1 200 1 15 LYS H 1 15 LYS QD 3.900 . 6.000 4.512 4.258 4.685 . 0 0 "[ . 1 . ]" 1 201 1 15 LYS H 1 15 LYS HE2 3.900 . 6.000 4.919 4.215 6.035 0.035 9 0 "[ . 1 . ]" 1 202 1 15 LYS H 1 15 LYS QG 3.900 . 6.000 3.895 3.822 3.965 . 0 0 "[ . 1 . ]" 1 203 1 15 LYS H 1 16 VAL HA 3.900 . 6.000 5.404 5.247 5.494 . 0 0 "[ . 1 . ]" 1 204 1 15 LYS H 1 16 VAL HB 3.900 . 6.000 4.785 4.482 6.175 0.175 12 0 "[ . 1 . ]" 1 205 1 15 LYS H 1 16 VAL MG1 3.900 . 6.000 5.648 5.029 6.019 0.019 8 0 "[ . 1 . ]" 1 206 1 15 LYS H 1 16 VAL H . . 3.500 2.742 2.562 2.856 . 0 0 "[ . 1 . ]" 1 207 1 15 LYS H 1 18 GLU H 3.900 . 6.000 4.935 4.728 5.133 . 0 0 "[ . 1 . ]" 1 208 1 15 LYS O 1 19 ALA H 2.100 . 2.600 1.985 1.890 2.088 . 0 0 "[ . 1 . ]" 1 209 1 15 LYS O 1 19 ALA N 3.100 2.600 3.600 2.988 2.877 3.090 . 0 0 "[ . 1 . ]" 1 210 1 16 VAL MG1 1 58 LEU HB3 3.900 . 6.000 5.783 4.941 6.043 0.043 5 0 "[ . 1 . ]" 1 211 1 16 VAL MG1 1 58 LEU HB2 3.900 . 6.000 5.219 4.473 6.094 0.094 15 0 "[ . 1 . ]" 1 212 1 13 GLU HB2 1 16 VAL H 3.900 . 6.000 5.270 4.900 5.474 . 0 0 "[ . 1 . ]" 1 213 1 14 LYS HB2 1 16 VAL H 3.900 . 6.000 5.743 5.038 6.243 0.243 12 0 "[ . 1 . ]" 1 214 1 14 LYS QG 1 16 VAL H 3.900 . 6.000 5.135 4.627 5.798 . 0 0 "[ . 1 . ]" 1 215 1 15 LYS HA 1 16 VAL H 3.900 . 6.000 3.583 3.541 3.604 . 0 0 "[ . 1 . ]" 1 216 1 15 LYS HB3 1 16 VAL H 3.900 . 6.000 2.681 2.541 2.876 . 0 0 "[ . 1 . ]" 1 217 1 15 LYS QD 1 16 VAL H 3.900 . 6.000 4.425 3.968 4.938 . 0 0 "[ . 1 . ]" 1 218 1 15 LYS HE2 1 16 VAL H 3.900 . 6.000 5.326 4.791 5.540 . 0 0 "[ . 1 . ]" 1 219 1 15 LYS QG 1 16 VAL H 3.900 . 6.000 3.254 2.798 3.610 . 0 0 "[ . 1 . ]" 1 220 1 16 VAL H 1 16 VAL HB 3.900 . 6.000 2.297 2.039 3.691 . 0 0 "[ . 1 . ]" 1 221 1 16 VAL H 1 16 VAL MG1 3.900 . 6.000 3.568 2.982 3.802 . 0 0 "[ . 1 . ]" 1 222 1 16 VAL H 1 16 VAL MG2 3.900 . 6.000 2.843 2.157 3.561 . 0 0 "[ . 1 . ]" 1 223 1 16 VAL H 1 17 GLU HA 3.900 . 6.000 5.342 5.139 5.426 . 0 0 "[ . 1 . ]" 1 224 1 16 VAL H 1 17 GLU HG2 3.900 . 6.000 5.293 4.625 6.100 0.100 18 0 "[ . 1 . ]" 1 225 1 16 VAL H 1 17 GLU H . . 3.500 2.658 2.403 2.782 . 0 0 "[ . 1 . ]" 1 226 1 16 VAL O 1 20 LYS H 2.100 . 2.600 1.939 1.840 2.151 . 0 0 "[ . 1 . ]" 1 227 1 16 VAL O 1 20 LYS N 3.100 2.600 3.600 2.905 2.823 3.104 . 0 0 "[ . 1 . ]" 1 228 1 14 LYS HB2 1 17 GLU H 3.900 . 6.000 5.691 5.482 5.892 . 0 0 "[ . 1 . ]" 1 229 1 14 LYS QG 1 17 GLU H 3.900 . 6.000 5.101 4.920 5.257 . 0 0 "[ . 1 . ]" 1 230 1 15 LYS QD 1 17 GLU H 3.900 . 6.000 5.053 4.708 5.831 . 0 0 "[ . 1 . ]" 1 231 1 15 LYS HE2 1 17 GLU H 3.900 . 6.000 6.111 6.044 6.159 0.159 12 0 "[ . 1 . ]" 1 232 1 15 LYS QG 1 17 GLU H 3.900 . 6.000 4.895 4.664 5.354 . 0 0 "[ . 1 . ]" 1 233 1 16 VAL HA 1 17 GLU H 3.900 . 6.000 3.413 3.310 3.575 . 0 0 "[ . 1 . ]" 1 234 1 16 VAL HB 1 17 GLU H 2.650 . 3.500 3.467 3.067 3.760 0.260 12 0 "[ . 1 . ]" 1 235 1 16 VAL MG1 1 17 GLU H 3.900 . 6.000 3.450 2.732 4.319 . 0 0 "[ . 1 . ]" 1 236 1 16 VAL MG2 1 17 GLU H 3.900 . 6.000 4.249 2.890 4.412 . 0 0 "[ . 1 . ]" 1 237 1 17 GLU H 1 17 GLU HB3 2.650 . 3.500 3.409 2.079 3.687 0.187 6 0 "[ . 1 . ]" 1 238 1 17 GLU H 1 17 GLU HB2 3.900 . 6.000 2.422 2.171 3.268 . 0 0 "[ . 1 . ]" 1 239 1 17 GLU H 1 17 GLU HG2 3.900 . 6.000 3.285 2.544 3.986 . 0 0 "[ . 1 . ]" 1 240 1 17 GLU H 1 18 GLU HB3 3.900 . 6.000 5.186 4.331 6.118 0.118 9 0 "[ . 1 . ]" 1 241 1 17 GLU H 1 18 GLU H . . 3.500 2.492 2.320 2.782 . 0 0 "[ . 1 . ]" 1 242 1 17 GLU H 1 20 LYS H 3.900 . 6.000 4.441 4.268 4.657 . 0 0 "[ . 1 . ]" 1 243 1 17 GLU O 1 21 LYS H 2.100 . 2.600 1.881 1.844 1.926 . 0 0 "[ . 1 . ]" 1 244 1 17 GLU O 1 21 LYS N 3.100 2.600 3.600 2.862 2.812 2.914 . 0 0 "[ . 1 . ]" 1 245 1 15 LYS QD 1 18 GLU H 3.900 . 6.000 4.330 3.978 5.250 . 0 0 "[ . 1 . ]" 1 246 1 15 LYS HE2 1 18 GLU H 3.900 . 6.000 5.426 4.858 5.682 . 0 0 "[ . 1 . ]" 1 247 1 15 LYS QG 1 18 GLU H 3.900 . 6.000 5.231 5.139 5.439 . 0 0 "[ . 1 . ]" 1 248 1 16 VAL MG1 1 18 GLU H 3.900 . 6.000 5.237 4.880 5.797 . 0 0 "[ . 1 . ]" 1 249 1 16 VAL MG2 1 18 GLU H 3.900 . 6.000 5.714 5.052 5.928 . 0 0 "[ . 1 . ]" 1 250 1 17 GLU HA 1 18 GLU H 3.900 . 6.000 3.602 3.577 3.652 . 0 0 "[ . 1 . ]" 1 251 1 17 GLU HB2 1 18 GLU H 3.900 . 6.000 2.996 2.703 4.211 . 0 0 "[ . 1 . ]" 1 252 1 18 GLU H 1 18 GLU HB3 3.900 . 6.000 2.984 2.473 3.645 . 0 0 "[ . 1 . ]" 1 253 1 18 GLU H 1 18 GLU HB2 3.900 . 6.000 2.538 2.327 3.707 . 0 0 "[ . 1 . ]" 1 254 1 18 GLU H 1 18 GLU HG3 3.900 . 6.000 3.641 2.276 4.480 . 0 0 "[ . 1 . ]" 1 255 1 18 GLU H 1 18 GLU HG2 3.900 . 6.000 3.825 2.208 4.539 . 0 0 "[ . 1 . ]" 1 256 1 18 GLU H 1 19 ALA MB 3.900 . 6.000 4.281 4.141 4.436 . 0 0 "[ . 1 . ]" 1 257 1 18 GLU H 1 19 ALA H . . 3.500 2.718 2.575 2.877 . 0 0 "[ . 1 . ]" 1 258 1 18 GLU H 1 21 LYS H 3.900 . 6.000 4.671 4.550 4.770 . 0 0 "[ . 1 . ]" 1 259 1 18 GLU O 1 22 LYS H 2.100 . 2.600 2.161 1.969 2.503 . 0 0 "[ . 1 . ]" 1 260 1 18 GLU O 1 22 LYS N 3.100 2.600 3.600 3.118 2.928 3.469 . 0 0 "[ . 1 . ]" 1 261 1 19 ALA HA 1 51 VAL HA 3.900 . 6.000 5.862 4.864 6.109 0.109 14 0 "[ . 1 . ]" 1 262 1 19 ALA HA 1 51 VAL HB 3.900 . 6.000 5.809 4.565 6.229 0.229 18 0 "[ . 1 . ]" 1 263 1 19 ALA HA 1 51 VAL MG1 3.900 . 6.000 4.493 3.438 5.857 . 0 0 "[ . 1 . ]" 1 264 1 19 ALA HA 1 51 VAL MG2 3.900 . 6.000 3.557 3.021 5.548 . 0 0 "[ . 1 . ]" 1 265 1 19 ALA MB 1 51 VAL HA 3.900 . 6.000 3.372 2.400 3.646 . 0 0 "[ . 1 . ]" 1 266 1 19 ALA MB 1 51 VAL HB 3.900 . 6.000 3.842 2.301 4.502 . 0 0 "[ . 1 . ]" 1 267 1 19 ALA MB 1 51 VAL MG1 3.900 . 6.000 2.592 2.024 3.961 . 0 0 "[ . 1 . ]" 1 268 1 19 ALA MB 1 51 VAL MG2 3.900 . 6.000 2.085 1.913 3.812 . 0 0 "[ . 1 . ]" 1 269 1 15 LYS QG 1 19 ALA H 3.900 . 6.000 4.451 4.357 4.593 . 0 0 "[ . 1 . ]" 1 270 1 16 VAL HB 1 19 ALA H 3.900 . 6.000 5.726 5.164 6.002 0.002 15 0 "[ . 1 . ]" 1 271 1 17 GLU HB3 1 19 ALA H 3.900 . 6.000 5.516 5.199 5.781 . 0 0 "[ . 1 . ]" 1 272 1 17 GLU HB2 1 19 ALA H 3.900 . 6.000 5.277 5.016 6.008 0.008 18 0 "[ . 1 . ]" 1 273 1 18 GLU HA 1 19 ALA H 3.900 . 6.000 3.589 3.567 3.613 . 0 0 "[ . 1 . ]" 1 274 1 18 GLU HB3 1 19 ALA H 3.900 . 6.000 3.067 2.486 4.192 . 0 0 "[ . 1 . ]" 1 275 1 18 GLU HB2 1 19 ALA H 3.900 . 6.000 3.342 2.522 4.038 . 0 0 "[ . 1 . ]" 1 276 1 18 GLU HG3 1 19 ALA H 3.900 . 6.000 4.527 2.412 4.977 . 0 0 "[ . 1 . ]" 1 277 1 19 ALA H 1 20 LYS HB3 3.900 . 6.000 5.199 4.579 6.101 0.101 14 0 "[ . 1 . ]" 1 278 1 19 ALA H 1 20 LYS H . . 3.500 2.904 2.804 2.988 . 0 0 "[ . 1 . ]" 1 279 1 19 ALA O 1 23 ALA H 2.100 . 2.600 2.207 1.963 2.469 . 0 0 "[ . 1 . ]" 1 280 1 19 ALA O 1 23 ALA N 3.100 2.600 3.600 3.162 2.910 3.441 . 0 0 "[ . 1 . ]" 1 281 1 16 VAL MG1 1 20 LYS H 3.900 . 6.000 4.042 3.778 4.825 . 0 0 "[ . 1 . ]" 1 282 1 16 VAL MG2 1 20 LYS H 3.900 . 6.000 4.898 3.935 5.244 . 0 0 "[ . 1 . ]" 1 283 1 18 GLU HB2 1 20 LYS H 3.900 . 6.000 5.710 5.222 6.036 0.036 4 0 "[ . 1 . ]" 1 284 1 19 ALA HA 1 20 LYS H 3.900 . 6.000 3.610 3.577 3.659 . 0 0 "[ . 1 . ]" 1 285 1 19 ALA MB 1 20 LYS H 3.900 . 6.000 2.447 2.301 2.530 . 0 0 "[ . 1 . ]" 1 286 1 20 LYS H 1 20 LYS HB3 2.650 . 3.500 2.698 2.167 3.523 0.023 4 0 "[ . 1 . ]" 1 287 1 20 LYS H 1 20 LYS HD3 3.900 . 6.000 5.181 4.316 6.030 0.030 8 0 "[ . 1 . ]" 1 288 1 20 LYS H 1 20 LYS HE3 3.900 . 6.000 5.367 3.578 6.820 0.820 7 3 "[ . + 1 *. -]" 1 289 1 20 LYS H 1 20 LYS HG3 3.900 . 6.000 4.304 2.993 4.593 . 0 0 "[ . 1 . ]" 1 290 1 20 LYS H 1 20 LYS HG2 3.900 . 6.000 4.310 2.699 4.607 . 0 0 "[ . 1 . ]" 1 291 1 20 LYS H 1 21 LYS HA 3.900 . 6.000 5.504 5.450 5.546 . 0 0 "[ . 1 . ]" 1 292 1 20 LYS H 1 21 LYS H . . 3.500 2.895 2.845 2.954 . 0 0 "[ . 1 . ]" 1 293 1 20 LYS O 1 24 GLU H 2.100 . 2.600 2.006 1.861 2.338 . 0 0 "[ . 1 . ]" 1 294 1 20 LYS O 1 24 GLU N 3.100 2.600 3.600 2.896 2.804 3.018 . 0 0 "[ . 1 . ]" 1 295 1 17 GLU HB3 1 21 LYS H 3.900 . 6.000 4.996 4.716 6.010 0.010 18 0 "[ . 1 . ]" 1 296 1 17 GLU HB2 1 21 LYS H 3.900 . 6.000 5.821 5.596 6.060 0.060 7 0 "[ . 1 . ]" 1 297 1 20 LYS HA 1 21 LYS H 3.900 . 6.000 3.603 3.585 3.619 . 0 0 "[ . 1 . ]" 1 298 1 20 LYS HD3 1 21 LYS H 3.900 . 6.000 5.563 4.308 6.525 0.525 17 1 "[ . 1 . + ]" 1 299 1 20 LYS HG2 1 21 LYS H 3.900 . 6.000 4.198 3.211 5.060 . 0 0 "[ . 1 . ]" 1 300 1 21 LYS H 1 21 LYS HA 2.650 . 3.500 2.838 2.805 2.870 . 0 0 "[ . 1 . ]" 1 301 1 21 LYS H 1 21 LYS HB3 2.650 . 3.500 3.188 2.519 3.577 0.077 8 0 "[ . 1 . ]" 1 302 1 21 LYS H 1 21 LYS HB2 2.650 . 3.500 2.335 2.130 2.480 . 0 0 "[ . 1 . ]" 1 303 1 21 LYS H 1 21 LYS HD3 3.900 . 6.000 4.844 3.078 5.979 . 0 0 "[ . 1 . ]" 1 304 1 21 LYS H 1 21 LYS HE3 3.900 . 6.000 4.886 3.912 6.075 0.075 16 0 "[ . 1 . ]" 1 305 1 21 LYS H 1 21 LYS HE2 3.900 . 6.000 4.794 2.480 5.755 . 0 0 "[ . 1 . ]" 1 306 1 21 LYS H 1 21 LYS HG3 3.900 . 6.000 3.684 2.347 4.564 . 0 0 "[ . 1 . ]" 1 307 1 21 LYS H 1 22 LYS H . . 3.500 2.953 2.835 3.085 . 0 0 "[ . 1 . ]" 1 308 1 21 LYS O 1 25 ASP H 2.100 . 2.600 2.217 1.882 2.610 0.010 12 0 "[ . 1 . ]" 1 309 1 21 LYS O 1 25 ASP N 3.100 2.600 3.600 3.035 2.856 3.331 . 0 0 "[ . 1 . ]" 1 310 1 21 LYS HA 1 22 LYS H 3.900 . 6.000 3.611 3.562 3.659 . 0 0 "[ . 1 . ]" 1 311 1 21 LYS HG3 1 22 LYS H 3.900 . 6.000 4.819 3.691 5.401 . 0 0 "[ . 1 . ]" 1 312 1 22 LYS H 1 22 LYS HB2 2.650 . 3.500 2.367 2.096 2.688 . 0 0 "[ . 1 . ]" 1 313 1 22 LYS H 1 22 LYS HD2 3.900 . 6.000 4.404 3.379 5.916 . 0 0 "[ . 1 . ]" 1 314 1 22 LYS H 1 22 LYS HE2 3.900 . 6.000 5.822 4.305 6.222 0.222 12 0 "[ . 1 . ]" 1 315 1 22 LYS H 1 22 LYS HG2 3.900 . 6.000 3.628 2.419 4.747 . 0 0 "[ . 1 . ]" 1 316 1 22 LYS H 1 23 ALA H . . 3.500 2.837 2.673 2.954 . 0 0 "[ . 1 . ]" 1 317 1 22 LYS O 1 26 GLN H 2.100 . 2.600 2.608 2.292 2.746 0.146 4 0 "[ . 1 . ]" 1 318 1 22 LYS O 1 26 GLN N 3.100 2.600 3.600 3.337 3.044 3.505 . 0 0 "[ . 1 . ]" 1 319 1 22 LYS HG3 1 23 ALA H 3.900 . 6.000 4.769 3.567 5.448 . 0 0 "[ . 1 . ]" 1 320 1 23 ALA H 1 23 ALA HA 2.650 . 3.500 2.872 2.839 2.913 . 0 0 "[ . 1 . ]" 1 321 1 23 ALA H 1 23 ALA MB 2.650 . 3.500 2.267 2.231 2.296 . 0 0 "[ . 1 . ]" 1 322 1 23 ALA H 1 24 GLU H . . 3.500 2.764 2.606 2.831 . 0 0 "[ . 1 . ]" 1 323 1 23 ALA O 1 27 LYS H 2.100 . 2.600 2.064 1.876 2.364 . 0 0 "[ . 1 . ]" 1 324 1 23 ALA O 1 27 LYS N 3.100 2.600 3.600 2.936 2.752 3.134 . 0 0 "[ . 1 . ]" 1 325 1 21 LYS H 1 24 GLU H 3.900 . 6.000 4.686 4.591 4.892 . 0 0 "[ . 1 . ]" 1 326 1 22 LYS HB3 1 24 GLU H 3.900 . 6.000 5.300 4.828 5.695 . 0 0 "[ . 1 . ]" 1 327 1 22 LYS HD2 1 24 GLU H 3.900 . 6.000 5.928 5.472 6.255 0.255 10 0 "[ . 1 . ]" 1 328 1 23 ALA MB 1 24 GLU H 3.900 . 6.000 2.835 2.695 3.114 . 0 0 "[ . 1 . ]" 1 329 1 24 GLU H 1 24 GLU HB3 2.650 . 3.500 2.956 2.474 3.629 0.129 11 0 "[ . 1 . ]" 1 330 1 24 GLU H 1 24 GLU HG3 3.900 . 6.000 4.091 2.481 4.532 . 0 0 "[ . 1 . ]" 1 331 1 24 GLU H 1 25 ASP HA 3.900 . 6.000 5.349 5.123 5.462 . 0 0 "[ . 1 . ]" 1 332 1 24 GLU H 1 25 ASP HB3 3.900 . 6.000 5.759 5.217 6.155 0.155 12 0 "[ . 1 . ]" 1 333 1 24 GLU H 1 25 ASP HB2 3.900 . 6.000 4.650 4.512 4.752 . 0 0 "[ . 1 . ]" 1 334 1 24 GLU H 1 25 ASP H . . 3.500 2.689 2.438 2.851 . 0 0 "[ . 1 . ]" 1 335 1 24 GLU O 1 28 GLU H 2.100 . 2.600 1.950 1.852 2.103 . 0 0 "[ . 1 . ]" 1 336 1 24 GLU O 1 28 GLU N 3.100 2.600 3.600 2.927 2.856 3.097 . 0 0 "[ . 1 . ]" 1 337 1 22 LYS HD2 1 25 ASP H 3.900 . 6.000 4.374 3.918 5.047 . 0 0 "[ . 1 . ]" 1 338 1 22 LYS HE3 1 25 ASP H 3.900 . 6.000 5.594 4.297 6.261 0.261 10 0 "[ . 1 . ]" 1 339 1 22 LYS HG3 1 25 ASP H 3.900 . 6.000 5.897 4.767 6.997 0.997 2 8 "[ +* * - 1 **.** ]" 1 340 1 22 LYS H 1 25 ASP H 3.900 . 6.000 4.718 4.530 4.948 . 0 0 "[ . 1 . ]" 1 341 1 23 ALA MB 1 25 ASP H 3.900 . 6.000 4.642 4.497 4.870 . 0 0 "[ . 1 . ]" 1 342 1 24 GLU HA 1 25 ASP H 3.900 . 6.000 3.558 3.502 3.629 . 0 0 "[ . 1 . ]" 1 343 1 24 GLU HG2 1 25 ASP H 3.900 . 6.000 4.487 3.942 5.197 . 0 0 "[ . 1 . ]" 1 344 1 25 ASP H 1 25 ASP HB3 3.900 . 6.000 3.238 2.818 3.602 . 0 0 "[ . 1 . ]" 1 345 1 25 ASP H 1 25 ASP HB2 3.900 . 6.000 2.238 2.083 2.446 . 0 0 "[ . 1 . ]" 1 346 1 25 ASP H 1 26 GLN HA 3.900 . 6.000 5.336 5.182 5.449 . 0 0 "[ . 1 . ]" 1 347 1 25 ASP H 1 26 GLN HB2 3.900 . 6.000 4.811 4.443 5.219 . 0 0 "[ . 1 . ]" 1 348 1 25 ASP H 1 26 GLN H . . 3.500 2.628 2.467 2.850 . 0 0 "[ . 1 . ]" 1 349 1 25 ASP O 1 29 GLU H 2.100 . 2.600 2.603 2.166 2.713 0.113 12 0 "[ . 1 . ]" 1 350 1 25 ASP O 1 29 GLU N 3.100 2.600 3.600 3.470 3.024 3.643 0.043 12 0 "[ . 1 . ]" 1 351 1 22 LYS HD2 1 26 GLN H 3.900 . 6.000 5.453 4.697 6.158 0.158 16 0 "[ . 1 . ]" 1 352 1 23 ALA H 1 26 GLN H . 3.950 5.650 4.983 4.815 5.111 . 0 0 "[ . 1 . ]" 1 353 1 24 GLU HB2 1 26 GLN H 3.900 . 6.000 5.365 4.935 5.633 . 0 0 "[ . 1 . ]" 1 354 1 24 GLU HG2 1 26 GLN H 3.900 . 6.000 5.722 5.315 6.022 0.022 11 0 "[ . 1 . ]" 1 355 1 25 ASP HA 1 26 GLN H 3.900 . 6.000 3.493 3.428 3.617 . 0 0 "[ . 1 . ]" 1 356 1 25 ASP HB3 1 26 GLN H 3.900 . 6.000 3.431 2.899 4.045 . 0 0 "[ . 1 . ]" 1 357 1 25 ASP HB2 1 26 GLN H 3.900 . 6.000 3.365 2.819 3.801 . 0 0 "[ . 1 . ]" 1 358 1 26 GLN H 1 26 GLN HB3 3.900 . 6.000 3.615 3.241 3.721 . 0 0 "[ . 1 . ]" 1 359 1 26 GLN H 1 26 GLN HG3 3.900 . 6.000 3.554 2.573 4.500 . 0 0 "[ . 1 . ]" 1 360 1 26 GLN H 1 27 LYS HB2 3.900 . 6.000 4.362 4.049 4.550 . 0 0 "[ . 1 . ]" 1 361 1 26 GLN H 1 27 LYS HE2 3.900 . 6.000 6.032 5.590 6.250 0.250 1 0 "[ . 1 . ]" 1 362 1 26 GLN H 1 27 LYS QG 3.900 . 6.000 5.842 5.792 5.896 . 0 0 "[ . 1 . ]" 1 363 1 26 GLN H 1 27 LYS H . . 3.400 2.260 2.083 2.340 . 0 0 "[ . 1 . ]" 1 364 1 26 GLN H 1 44 LEU MD2 3.900 . 6.000 4.875 3.609 6.017 0.017 7 0 "[ . 1 . ]" 1 365 1 26 GLN H 1 44 LEU HG 3.900 . 6.000 4.775 3.838 6.258 0.258 7 0 "[ . 1 . ]" 1 366 1 26 GLN O 1 30 ASP H 2.100 . 2.600 2.232 1.949 2.677 0.077 17 0 "[ . 1 . ]" 1 367 1 26 GLN O 1 30 ASP N 3.100 2.600 3.600 3.136 2.923 3.330 . 0 0 "[ . 1 . ]" 1 368 1 25 ASP HB3 1 27 LYS H 3.900 . 6.000 5.376 4.922 5.869 . 0 0 "[ . 1 . ]" 1 369 1 26 GLN HA 1 27 LYS H 3.900 . 6.000 3.511 3.447 3.567 . 0 0 "[ . 1 . ]" 1 370 1 27 LYS H 1 27 LYS HA 2.650 . 3.500 2.884 2.823 2.938 . 0 0 "[ . 1 . ]" 1 371 1 27 LYS H 1 27 LYS HB3 3.900 . 6.000 2.587 2.461 2.899 . 0 0 "[ . 1 . ]" 1 372 1 27 LYS H 1 27 LYS HB2 2.650 . 3.500 2.310 2.173 2.477 . 0 0 "[ . 1 . ]" 1 373 1 27 LYS H 1 27 LYS HD2 3.900 . 6.000 5.407 4.884 5.889 . 0 0 "[ . 1 . ]" 1 374 1 27 LYS H 1 27 LYS HE2 3.900 . 6.000 4.198 3.743 4.635 . 0 0 "[ . 1 . ]" 1 375 1 27 LYS H 1 27 LYS QG 3.900 . 6.000 3.957 3.844 4.045 . 0 0 "[ . 1 . ]" 1 376 1 27 LYS O 1 31 ARG H 2.100 . 2.600 2.680 2.409 2.839 0.239 17 0 "[ . 1 . ]" 1 377 1 27 LYS O 1 31 ARG N 3.100 2.600 3.600 3.134 2.801 3.456 . 0 0 "[ . 1 . ]" 1 378 1 25 ASP HB3 1 28 GLU H 3.900 . 6.000 5.481 5.305 5.747 . 0 0 "[ . 1 . ]" 1 379 1 27 LYS HB2 1 28 GLU H 2.650 . 3.500 3.646 3.524 3.703 0.203 7 0 "[ . 1 . ]" 1 380 1 27 LYS HE3 1 28 GLU H 3.900 . 6.000 5.339 4.508 6.093 0.093 5 0 "[ . 1 . ]" 1 381 1 27 LYS H 1 28 GLU H . . 3.500 2.665 2.528 2.915 . 0 0 "[ . 1 . ]" 1 382 1 28 GLU H 1 28 GLU HB2 2.650 . 3.500 2.440 2.330 2.607 . 0 0 "[ . 1 . ]" 1 383 1 28 GLU H 1 28 GLU HG3 3.900 . 6.000 4.556 4.431 4.650 . 0 0 "[ . 1 . ]" 1 384 1 28 GLU H 1 29 GLU H . . 3.400 2.944 2.829 3.070 . 0 0 "[ . 1 . ]" 1 385 1 28 GLU O 1 32 ARG H 2.100 . 2.600 2.238 1.863 2.686 0.086 11 0 "[ . 1 . ]" 1 386 1 28 GLU O 1 32 ARG N 3.100 2.600 3.600 3.013 2.743 3.560 . 0 0 "[ . 1 . ]" 1 387 1 28 GLU HG3 1 29 GLU H 3.900 . 6.000 4.274 3.477 4.995 . 0 0 "[ . 1 . ]" 1 388 1 29 GLU H 1 29 GLU HA 2.650 . 3.500 2.847 2.782 2.892 . 0 0 "[ . 1 . ]" 1 389 1 29 GLU H 1 29 GLU HB2 2.650 . 3.500 2.434 2.221 2.886 . 0 0 "[ . 1 . ]" 1 390 1 29 GLU H 1 29 GLU HG3 3.900 . 6.000 3.927 1.981 4.529 . 0 0 "[ . 1 . ]" 1 391 1 29 GLU H 1 29 GLU HG2 3.900 . 6.000 4.253 2.828 4.715 . 0 0 "[ . 1 . ]" 1 392 1 29 GLU H 1 30 ASP H . . 3.500 3.098 2.699 3.249 . 0 0 "[ . 1 . ]" 1 393 1 29 GLU O 1 33 ASN H 2.100 . 2.600 1.868 1.716 2.228 . 0 0 "[ . 1 . ]" 1 394 1 29 GLU O 1 33 ASN N 3.100 2.600 3.600 2.758 2.695 3.050 . 0 0 "[ . 1 . ]" 1 395 1 27 LYS HD2 1 30 ASP H 3.900 . 6.000 5.816 5.450 6.073 0.073 1 0 "[ . 1 . ]" 1 396 1 27 LYS QG 1 30 ASP H 3.900 . 6.000 5.030 4.524 5.694 . 0 0 "[ . 1 . ]" 1 397 1 29 GLU HA 1 30 ASP H 3.900 . 6.000 3.646 3.389 3.739 . 0 0 "[ . 1 . ]" 1 398 1 29 GLU HB3 1 30 ASP H 3.900 . 6.000 2.888 2.222 3.858 . 0 0 "[ . 1 . ]" 1 399 1 29 GLU HG2 1 30 ASP H 3.900 . 6.000 4.451 3.820 5.145 . 0 0 "[ . 1 . ]" 1 400 1 30 ASP H 1 30 ASP HB3 3.900 . 6.000 2.266 1.962 2.884 . 0 0 "[ . 1 . ]" 1 401 1 30 ASP H 1 30 ASP HB2 3.900 . 6.000 2.382 2.116 3.280 . 0 0 "[ . 1 . ]" 1 402 1 30 ASP H 1 31 ARG HB3 3.900 . 6.000 5.733 4.152 6.350 0.350 8 0 "[ . 1 . ]" 1 403 1 30 ASP H 1 31 ARG HD3 3.900 . 6.000 6.051 5.944 6.104 0.104 10 0 "[ . 1 . ]" 1 404 1 30 ASP H 1 31 ARG H . . 3.500 3.048 2.453 3.473 . 0 0 "[ . 1 . ]" 1 405 1 30 ASP H 1 33 ASN QD 3.900 . 6.000 4.945 4.196 5.879 . 0 0 "[ . 1 . ]" 1 406 1 30 ASP H 1 33 ASN H 3.900 . 6.000 4.658 4.053 4.846 . 0 0 "[ . 1 . ]" 1 407 1 30 ASP H 1 39 TYR QD 3.900 . 6.000 6.140 5.987 6.339 0.339 17 0 "[ . 1 . ]" 1 408 1 30 ASP H 1 39 TYR H 3.900 . 6.000 6.745 6.552 6.882 0.882 7 19 [******+********-***] 1 409 1 30 ASP H 1 40 LYS HA 3.900 . 6.000 5.766 3.472 6.365 0.365 16 0 "[ . 1 . ]" 1 410 1 30 ASP H 1 41 THR MG 3.900 . 6.000 4.092 1.794 6.332 0.332 9 0 "[ . 1 . ]" 1 411 1 30 ASP H 1 44 LEU MD2 3.900 . 6.000 5.534 4.576 6.079 0.079 8 0 "[ . 1 . ]" 1 412 1 29 GLU HB2 1 31 ARG H 3.900 . 6.000 5.400 4.735 5.978 . 0 0 "[ . 1 . ]" 1 413 1 29 GLU HG3 1 31 ARG H 3.900 . 6.000 5.638 4.936 6.455 0.455 16 0 "[ . 1 . ]" 1 414 1 30 ASP HA 1 31 ARG H 3.900 . 6.000 3.324 2.879 3.647 . 0 0 "[ . 1 . ]" 1 415 1 30 ASP HB3 1 31 ARG H 3.900 . 6.000 3.536 2.778 4.056 . 0 0 "[ . 1 . ]" 1 416 1 30 ASP HB2 1 31 ARG H 3.900 . 6.000 4.380 4.080 4.517 . 0 0 "[ . 1 . ]" 1 417 1 31 ARG H 1 31 ARG HA 2.650 . 3.500 2.962 2.886 2.989 . 0 0 "[ . 1 . ]" 1 418 1 31 ARG H 1 31 ARG HB3 2.650 . 3.500 3.260 2.735 3.642 0.142 18 0 "[ . 1 . ]" 1 419 1 31 ARG H 1 31 ARG HD2 3.900 . 6.000 4.970 3.286 5.542 . 0 0 "[ . 1 . ]" 1 420 1 31 ARG H 1 31 ARG HD3 3.900 . 6.000 4.178 3.520 4.746 . 0 0 "[ . 1 . ]" 1 421 1 31 ARG H 1 31 ARG HG3 3.900 . 6.000 3.626 2.687 5.299 . 0 0 "[ . 1 . ]" 1 422 1 31 ARG H 1 32 ARG HB3 3.900 . 6.000 4.053 3.765 5.588 . 0 0 "[ . 1 . ]" 1 423 1 31 ARG H 1 32 ARG H . . 3.500 1.959 1.783 2.184 0.017 12 0 "[ . 1 . ]" 1 424 1 31 ARG H 1 34 TYR QD 3.900 . 6.000 4.502 3.604 6.338 0.338 17 0 "[ . 1 . ]" 1 425 1 31 ARG H 1 32 ARG HA 3.000 2.150 3.850 4.706 4.427 4.863 1.013 15 19 [**************+*-**] 1 426 1 32 ARG HA 1 32 ARG HB3 2.150 2.150 2.900 2.847 2.593 2.929 0.029 2 0 "[ . 1 . ]" 1 427 1 32 ARG HA 1 32 ARG HB2 3.000 2.150 3.850 2.160 2.047 3.040 0.103 5 0 "[ . 1 . ]" 1 428 1 32 ARG HA 1 32 ARG QD 3.000 2.150 3.850 3.556 3.317 3.781 . 0 0 "[ . 1 . ]" 1 429 1 32 ARG HA 1 32 ARG QG 3.000 2.150 3.850 2.997 2.191 3.130 . 0 0 "[ . 1 . ]" 1 430 1 32 ARG HA 1 34 TYR H . 3.200 3.850 3.889 3.419 4.177 0.327 13 0 "[ . 1 . ]" 1 431 1 32 ARG HB3 1 32 ARG QD 3.000 2.150 3.850 2.279 2.067 3.171 0.083 2 0 "[ . 1 . ]" 1 432 1 32 ARG HB3 1 32 ARG QG . 2.150 2.900 2.329 2.143 2.500 0.007 16 0 "[ . 1 . ]" 1 433 1 32 ARG H 1 32 ARG HB3 3.000 2.150 3.500 2.401 2.146 3.643 0.143 16 0 "[ . 1 . ]" 1 434 1 32 ARG HB3 1 33 ASN H 3.000 2.150 3.850 3.533 3.266 3.705 . 0 0 "[ . 1 . ]" 1 435 1 32 ARG HB3 1 34 TYR H 3.900 . 6.000 5.411 4.825 5.761 . 0 0 "[ . 1 . ]" 1 436 1 32 ARG HB2 1 32 ARG QD 3.000 2.150 3.850 3.203 2.220 3.291 . 0 0 "[ . 1 . ]" 1 437 1 32 ARG HB2 1 32 ARG QG 2.150 2.150 2.900 2.177 2.124 2.502 0.026 17 0 "[ . 1 . ]" 1 438 1 32 ARG H 1 32 ARG HB2 3.000 2.150 3.500 3.355 2.497 3.627 0.127 17 0 "[ . 1 . ]" 1 439 1 32 ARG HB2 1 33 ASN H 3.000 2.150 3.850 4.227 2.980 4.381 0.531 15 2 "[ . - 1 + ]" 1 440 1 32 ARG QD 1 32 ARG QG 2.150 . 2.900 2.091 2.039 2.108 . 0 0 "[ . 1 . ]" 1 441 1 32 ARG H 1 32 ARG QD 3.000 2.150 3.850 2.830 2.454 3.232 . 0 0 "[ . 1 . ]" 1 442 1 32 ARG H 1 32 ARG QG 3.000 2.150 3.850 3.969 3.723 4.088 0.238 14 0 "[ . 1 . ]" 1 443 1 28 GLU HG3 1 32 ARG H 3.900 . 6.000 4.903 3.915 5.593 . 0 0 "[ . 1 . ]" 1 444 1 29 GLU HB3 1 32 ARG H 3.900 . 6.000 5.307 4.407 5.788 . 0 0 "[ . 1 . ]" 1 445 1 29 GLU HG2 1 32 ARG H 3.900 . 6.000 5.770 4.788 6.344 0.344 18 0 "[ . 1 . ]" 1 446 1 30 ASP HB3 1 32 ARG H 3.900 . 6.000 5.320 4.690 5.665 . 0 0 "[ . 1 . ]" 1 447 1 30 ASP HB2 1 32 ARG H 3.900 . 6.000 5.875 5.528 6.126 0.126 17 0 "[ . 1 . ]" 1 448 1 31 ARG HB2 1 32 ARG H 3.900 . 6.000 3.993 2.739 4.564 . 0 0 "[ . 1 . ]" 1 449 1 31 ARG HG2 1 32 ARG H 3.900 . 6.000 3.648 2.490 5.098 . 0 0 "[ . 1 . ]" 1 450 1 32 ARG H 1 33 ASN HA 3.900 . 6.000 4.858 4.146 5.187 . 0 0 "[ . 1 . ]" 1 451 1 32 ARG H 1 33 ASN HB2 3.900 . 6.000 4.393 3.942 5.605 . 0 0 "[ . 1 . ]" 1 452 1 32 ARG H 1 33 ASN QD 3.900 . 6.000 5.435 3.474 5.901 . 0 0 "[ . 1 . ]" 1 453 1 32 ARG H 1 33 ASN H . . 3.500 2.130 1.976 2.445 . 0 0 "[ . 1 . ]" 1 454 1 33 ASN HA 1 33 ASN HB3 3.000 2.150 3.850 2.899 2.441 3.017 . 0 0 "[ . 1 . ]" 1 455 1 33 ASN HA 1 33 ASN HB2 3.000 2.150 3.850 2.572 2.280 3.012 . 0 0 "[ . 1 . ]" 1 456 1 33 ASN H 1 33 ASN HA 3.000 2.150 3.850 2.916 2.261 3.001 . 0 0 "[ . 1 . ]" 1 457 1 33 ASN H 1 33 ASN HB3 3.000 2.150 3.850 2.792 2.218 4.044 0.194 17 0 "[ . 1 . ]" 1 458 1 33 ASN H 1 33 ASN HB2 3.900 . 6.000 2.764 2.449 3.531 . 0 0 "[ . 1 . ]" 1 459 1 29 GLU HB3 1 33 ASN H 3.900 . 6.000 5.143 3.964 5.761 . 0 0 "[ . 1 . ]" 1 460 1 29 GLU HG2 1 33 ASN H 3.900 . 6.000 5.236 4.414 6.848 0.848 16 1 "[ . 1 .+ ]" 1 461 1 30 ASP HB3 1 33 ASN H 3.900 . 6.000 5.845 5.444 6.210 0.210 3 0 "[ . 1 . ]" 1 462 1 30 ASP HB2 1 33 ASN H 3.900 . 6.000 5.823 5.465 6.079 0.079 12 0 "[ . 1 . ]" 1 463 1 31 ARG HB2 1 33 ASN H 3.900 . 6.000 5.569 4.770 6.011 0.011 5 0 "[ . 1 . ]" 1 464 1 31 ARG HG2 1 33 ASN H 3.900 . 6.000 5.380 4.630 6.178 0.178 7 0 "[ . 1 . ]" 1 465 1 32 ARG HA 1 33 ASN H 3.900 . 6.000 3.303 3.165 3.559 . 0 0 "[ . 1 . ]" 1 466 1 32 ARG QD 1 33 ASN H 3.900 . 6.000 2.667 2.011 4.321 . 0 0 "[ . 1 . ]" 1 467 1 32 ARG QG 1 33 ASN H 3.900 . 6.000 3.966 2.722 4.631 . 0 0 "[ . 1 . ]" 1 468 1 33 ASN H 1 33 ASN QD 3.900 . 6.000 4.071 2.511 4.526 . 0 0 "[ . 1 . ]" 1 469 1 33 ASN H 1 34 TYR HA 3.900 . 6.000 5.130 4.937 5.623 . 0 0 "[ . 1 . ]" 1 470 1 33 ASN H 1 34 TYR QD 3.900 . 6.000 4.466 3.760 5.473 . 0 0 "[ . 1 . ]" 1 471 1 33 ASN H 1 34 TYR QE 3.900 . 6.000 5.916 5.574 6.107 0.107 19 0 "[ . 1 . ]" 1 472 1 33 ASN H 1 34 TYR H . . 3.500 2.424 2.193 3.453 . 0 0 "[ . 1 . ]" 1 473 1 33 ASN H 1 35 PRO HB2 3.900 . 6.000 4.911 4.492 5.472 . 0 0 "[ . 1 . ]" 1 474 1 33 ASN H 1 35 PRO HD2 3.900 . 6.000 3.473 3.101 3.992 . 0 0 "[ . 1 . ]" 1 475 1 33 ASN H 1 35 PRO HD3 3.900 . 6.000 5.018 4.573 5.528 . 0 0 "[ . 1 . ]" 1 476 1 34 TYR HA 1 34 TYR HB2 3.000 2.150 3.850 2.921 2.334 3.014 . 0 0 "[ . 1 . ]" 1 477 1 34 TYR HA 1 35 PRO HA 3.900 . 6.000 5.033 3.664 5.165 . 0 0 "[ . 1 . ]" 1 478 1 34 TYR HA 1 35 PRO HD2 3.000 2.150 3.850 3.750 3.323 3.913 0.063 16 0 "[ . 1 . ]" 1 479 1 34 TYR HA 1 35 PRO HD3 3.000 2.150 3.850 4.017 3.934 4.097 0.247 13 0 "[ . 1 . ]" 1 480 1 34 TYR HA 1 36 THR H 3.900 3.200 5.600 3.760 2.302 3.941 0.898 13 1 "[ . 1 + . ]" 1 481 1 34 TYR H 1 34 TYR HB2 3.900 . 6.000 2.385 2.110 4.207 . 0 0 "[ . 1 . ]" 1 482 1 30 ASP H 1 34 TYR H 3.900 . 6.000 6.229 6.054 7.125 1.125 17 2 "[ . 1 .-+ ]" 1 483 1 31 ARG HG2 1 34 TYR H 3.900 . 6.000 6.119 5.980 6.421 0.421 17 0 "[ . 1 . ]" 1 484 1 33 ASN HA 1 34 TYR H 3.900 . 6.000 3.188 2.863 3.309 . 0 0 "[ . 1 . ]" 1 485 1 33 ASN HB3 1 34 TYR H 3.900 . 6.000 3.550 2.043 4.420 . 0 0 "[ . 1 . ]" 1 486 1 33 ASN HB2 1 34 TYR H 3.900 . 6.000 4.088 2.624 4.327 . 0 0 "[ . 1 . ]" 1 487 1 33 ASN QD 1 34 TYR H 3.900 . 6.000 4.956 2.388 5.353 . 0 0 "[ . 1 . ]" 1 488 1 34 TYR H 1 34 TYR QD 3.900 . 6.000 3.085 2.471 3.681 . 0 0 "[ . 1 . ]" 1 489 1 34 TYR H 1 34 TYR QE 3.900 . 6.000 4.849 4.481 5.043 . 0 0 "[ . 1 . ]" 1 490 1 34 TYR H 1 35 PRO HB2 3.900 . 6.000 4.163 3.734 4.502 . 0 0 "[ . 1 . ]" 1 491 1 34 TYR H 1 35 PRO HD2 3.900 . 6.000 2.096 1.814 2.238 . 0 0 "[ . 1 . ]" 1 492 1 34 TYR H 1 35 PRO HD3 3.900 . 6.000 3.275 2.445 3.512 . 0 0 "[ . 1 . ]" 1 493 1 34 TYR H 1 35 PRO QG 3.900 . 6.000 4.106 3.860 4.239 . 0 0 "[ . 1 . ]" 1 494 1 34 TYR H 1 36 THR HB 3.900 . 6.000 6.103 6.035 6.248 0.248 7 0 "[ . 1 . ]" 1 495 1 34 TYR H 1 36 THR MG 3.900 . 6.000 6.155 6.052 6.198 0.198 9 0 "[ . 1 . ]" 1 496 1 34 TYR H 1 37 ASN HB3 3.900 . 6.000 5.737 5.299 6.011 0.011 10 0 "[ . 1 . ]" 1 497 1 34 TYR H 1 37 ASN HB2 3.900 . 6.000 6.224 6.000 6.296 0.296 14 0 "[ . 1 . ]" 1 498 1 35 PRO HA 1 35 PRO HB3 3.000 2.150 3.850 2.446 2.372 2.466 . 0 0 "[ . 1 . ]" 1 499 1 35 PRO HA 1 35 PRO HD2 3.900 . 6.000 3.803 3.729 3.833 . 0 0 "[ . 1 . ]" 1 500 1 35 PRO HA 1 35 PRO HD3 3.900 . 6.000 3.329 3.268 3.663 . 0 0 "[ . 1 . ]" 1 501 1 35 PRO HA 1 35 PRO HG2 3.000 2.150 3.850 3.720 3.693 3.827 . 0 0 "[ . 1 . ]" 1 502 1 35 PRO HA 1 35 PRO HG3 3.000 2.150 3.850 2.515 2.463 2.665 . 0 0 "[ . 1 . ]" 1 503 1 35 PRO HA 1 36 THR H 3.000 2.150 3.850 3.485 3.466 3.561 . 0 0 "[ . 1 . ]" 1 504 1 35 PRO HA 1 37 ASN H 3.900 . 6.000 4.843 4.642 5.594 . 0 0 "[ . 1 . ]" 1 505 1 35 PRO HB3 1 35 PRO HD2 3.000 2.150 3.850 3.869 3.648 3.904 0.054 14 0 "[ . 1 . ]" 1 506 1 35 PRO HB3 1 35 PRO HD3 3.900 . 6.000 4.181 4.162 4.232 . 0 0 "[ . 1 . ]" 1 507 1 35 PRO HB3 1 35 PRO HG2 2.150 . 2.900 2.662 2.625 2.669 . 0 0 "[ . 1 . ]" 1 508 1 34 TYR HA 1 35 PRO HB2 3.900 . 6.000 5.098 3.422 5.558 . 0 0 "[ . 1 . ]" 1 509 1 35 PRO HB2 1 35 PRO HD2 3.900 . 6.000 2.707 2.383 2.760 . 0 0 "[ . 1 . ]" 1 510 1 35 PRO HB2 1 35 PRO HD3 3.900 . 6.000 3.710 3.655 3.746 . 0 0 "[ . 1 . ]" 1 511 1 35 PRO HB2 1 35 PRO HG2 2.150 2.150 2.900 2.482 2.397 2.498 . 0 0 "[ . 1 . ]" 1 512 1 35 PRO HB2 1 35 PRO HG3 3.000 2.150 3.850 3.065 3.038 3.075 . 0 0 "[ . 1 . ]" 1 513 1 35 PRO HB2 1 36 THR MG 3.900 . 6.000 3.643 3.356 3.794 . 0 0 "[ . 1 . ]" 1 514 1 35 PRO HB2 1 36 THR H 3.900 . 6.000 2.143 1.882 2.689 . 0 0 "[ . 1 . ]" 1 515 1 35 PRO HD2 1 35 PRO HG2 3.000 2.150 3.850 2.373 2.346 2.498 . 0 0 "[ . 1 . ]" 1 516 1 35 PRO HD2 1 35 PRO HG3 3.000 2.150 3.850 3.026 3.012 3.080 . 0 0 "[ . 1 . ]" 1 517 1 35 PRO HD2 1 36 THR H 3.900 . 6.000 3.296 2.482 3.460 . 0 0 "[ . 1 . ]" 1 518 1 35 PRO HD3 1 35 PRO HG2 3.000 2.150 3.850 2.807 2.735 2.825 . 0 0 "[ . 1 . ]" 1 519 1 35 PRO HD3 1 35 PRO HG3 3.000 2.150 3.850 2.428 2.374 2.519 . 0 0 "[ . 1 . ]" 1 520 1 35 PRO HD3 1 36 THR H 3.900 . 6.000 4.311 3.855 4.676 . 0 0 "[ . 1 . ]" 1 521 1 35 PRO HG2 1 36 THR MG 3.650 . 5.750 5.689 5.310 5.771 0.021 7 0 "[ . 1 . ]" 1 522 1 35 PRO HG2 1 36 THR H 3.900 . 6.000 4.318 4.070 4.545 . 0 0 "[ . 1 . ]" 1 523 1 35 PRO HG3 1 36 THR MG 3.900 . 6.000 6.022 5.565 6.068 0.068 8 0 "[ . 1 . ]" 1 524 1 35 PRO HG3 1 36 THR H 3.900 . 6.000 4.575 4.394 4.750 . 0 0 "[ . 1 . ]" 1 525 1 36 THR HA 1 36 THR HB . . 2.900 2.817 2.781 2.854 . 0 0 "[ . 1 . ]" 1 526 1 36 THR HA 1 36 THR HG1 3.900 . 6.000 3.210 3.168 3.465 . 0 0 "[ . 1 . ]" 1 527 1 36 THR HB 1 36 THR HG1 3.000 2.150 3.850 2.816 2.452 2.848 . 0 0 "[ . 1 . ]" 1 528 1 36 THR H 1 36 THR HB 3.900 . 6.000 3.330 3.249 3.499 . 0 0 "[ . 1 . ]" 1 529 1 36 THR HB 1 37 ASN H 3.900 . 6.000 3.446 2.860 3.605 . 0 0 "[ . 1 . ]" 1 530 1 35 PRO HA 1 36 THR HG1 3.650 2.800 4.500 4.671 4.618 4.734 0.234 7 0 "[ . 1 . ]" 1 531 1 35 PRO HB3 1 36 THR HG1 3.650 2.800 4.500 3.598 3.240 3.895 . 0 0 "[ . 1 . ]" 1 532 1 35 PRO HB2 1 36 THR HG1 3.900 . 6.000 2.304 2.180 2.457 . 0 0 "[ . 1 . ]" 1 533 1 35 PRO HD2 1 36 THR HG1 3.900 . 6.000 4.347 3.250 4.610 . 0 0 "[ . 1 . ]" 1 534 1 35 PRO HD3 1 36 THR HG1 3.900 . 6.000 5.647 4.959 5.956 . 0 0 "[ . 1 . ]" 1 535 1 35 PRO HG3 1 36 THR HG1 3.900 . 6.000 5.330 5.146 5.493 . 0 0 "[ . 1 . ]" 1 536 1 36 THR HG1 1 38 THR HB 3.900 . 6.000 5.868 4.289 6.090 0.090 7 0 "[ . 1 . ]" 1 537 1 33 ASN HA 1 36 THR MG 3.900 . 6.000 4.225 3.963 6.039 0.039 16 0 "[ . 1 . ]" 1 538 1 36 THR HA 1 36 THR MG 3.000 2.150 3.850 2.162 2.145 2.191 0.005 10 0 "[ . 1 . ]" 1 539 1 36 THR HB 1 36 THR MG 3.000 2.150 3.850 2.171 2.150 2.196 . 0 0 "[ . 1 . ]" 1 540 1 36 THR H 1 36 THR MG 3.000 2.150 3.850 3.262 3.204 3.600 . 0 0 "[ . 1 . ]" 1 541 1 36 THR MG 1 37 ASN H 3.900 . 6.000 4.322 4.080 4.457 . 0 0 "[ . 1 . ]" 1 542 1 32 ARG QG 1 36 THR H 3.900 . 6.000 5.646 3.024 5.946 . 0 0 "[ . 1 . ]" 1 543 1 34 TYR QD 1 36 THR H 3.900 . 6.000 5.541 4.816 5.669 . 0 0 "[ . 1 . ]" 1 544 1 35 PRO HB3 1 36 THR H 3.900 . 6.000 3.522 3.162 3.979 . 0 0 "[ . 1 . ]" 1 545 1 36 THR H 1 37 ASN HA 3.900 . 6.000 4.305 4.211 4.558 . 0 0 "[ . 1 . ]" 1 546 1 36 THR H 1 37 ASN HB3 3.900 . 6.000 4.710 4.374 4.957 . 0 0 "[ . 1 . ]" 1 547 1 36 THR H 1 37 ASN HB2 3.900 . 6.000 5.881 5.652 6.043 0.043 13 0 "[ . 1 . ]" 1 548 1 36 THR H 1 37 ASN H 2.650 . 3.500 2.293 2.140 2.540 . 0 0 "[ . 1 . ]" 1 549 1 36 THR H 1 39 TYR HB3 3.900 . 6.000 5.394 5.111 6.124 0.124 16 0 "[ . 1 . ]" 1 550 1 36 THR H 1 39 TYR H 3.900 . 6.000 4.734 4.580 4.932 . 0 0 "[ . 1 . ]" 1 551 1 37 ASN HA 1 37 ASN HB3 3.000 2.150 3.850 2.462 2.346 2.645 . 0 0 "[ . 1 . ]" 1 552 1 37 ASN HA 1 37 ASN HB2 3.000 2.150 3.850 2.185 2.109 2.259 0.041 13 0 "[ . 1 . ]" 1 553 1 37 ASN HA 1 37 ASN HD22 3.900 . 6.000 4.985 4.930 5.105 . 0 0 "[ . 1 . ]" 1 554 1 37 ASN H 1 37 ASN HA 3.000 2.150 3.850 2.086 2.032 2.218 0.118 11 0 "[ . 1 . ]" 1 555 1 37 ASN HA 1 38 THR HA 3.000 2.150 3.850 4.013 3.918 4.141 0.291 16 0 "[ . 1 . ]" 1 556 1 37 ASN HA 1 38 THR MG 3.900 . 6.000 5.431 5.192 5.555 . 0 0 "[ . 1 . ]" 1 557 1 37 ASN HA 1 38 THR H 3.000 2.150 3.500 2.443 2.310 2.800 . 0 0 "[ . 1 . ]" 1 558 1 37 ASN HA 1 39 TYR HB2 3.900 . 6.000 4.542 4.341 5.087 . 0 0 "[ . 1 . ]" 1 559 1 37 ASN HA 1 39 TYR H . 3.200 3.850 2.619 2.383 2.768 0.817 16 16 "[* ****-*******.+ **]" 1 560 1 34 TYR HA 1 37 ASN HB3 3.900 . 6.000 3.127 2.316 4.616 . 0 0 "[ . 1 . ]" 1 561 1 37 ASN HB3 1 37 ASN HD21 3.000 2.150 3.850 3.210 2.777 3.621 . 0 0 "[ . 1 . ]" 1 562 1 37 ASN H 1 37 ASN HB3 3.000 2.150 3.500 2.811 2.717 2.975 . 0 0 "[ . 1 . ]" 1 563 1 37 ASN HB3 1 38 THR H 3.900 . 6.000 4.457 4.361 4.515 . 0 0 "[ . 1 . ]" 1 564 1 37 ASN HB3 1 39 TYR H 4.000 3.150 4.850 5.026 4.947 5.124 0.274 13 0 "[ . 1 . ]" 1 565 1 34 TYR HA 1 37 ASN HB2 3.900 . 6.000 3.687 3.176 5.754 . 0 0 "[ . 1 . ]" 1 566 1 37 ASN HB2 1 37 ASN HD21 3.000 2.150 3.850 3.115 2.265 3.643 . 0 0 "[ . 1 . ]" 1 567 1 37 ASN H 1 37 ASN HB2 3.000 2.150 3.850 3.679 3.536 3.846 . 0 0 "[ . 1 . ]" 1 568 1 37 ASN HB2 1 38 THR H 3.900 . 6.000 4.367 4.285 4.506 . 0 0 "[ . 1 . ]" 1 569 1 37 ASN HB2 1 39 TYR H 4.000 3.150 4.850 4.631 4.373 4.945 0.095 17 0 "[ . 1 . ]" 1 570 1 33 ASN QD 1 37 ASN H 3.900 . 6.000 5.595 5.167 6.030 0.030 15 0 "[ . 1 . ]" 1 571 1 34 TYR QD 1 37 ASN H 3.900 . 6.000 4.539 3.170 5.026 . 0 0 "[ . 1 . ]" 1 572 1 34 TYR QE 1 37 ASN H 3.900 . 6.000 6.135 5.135 6.315 0.315 16 0 "[ . 1 . ]" 1 573 1 35 PRO HB3 1 37 ASN H 3.900 . 6.000 5.649 5.546 6.081 0.081 16 0 "[ . 1 . ]" 1 574 1 35 PRO HB2 1 37 ASN H 3.900 . 6.000 4.339 4.227 4.624 . 0 0 "[ . 1 . ]" 1 575 1 35 PRO HD2 1 37 ASN H 3.900 . 6.000 4.448 4.033 4.782 . 0 0 "[ . 1 . ]" 1 576 1 35 PRO HD3 1 37 ASN H 3.900 . 6.000 5.226 5.059 5.852 . 0 0 "[ . 1 . ]" 1 577 1 36 THR HA 1 37 ASN H 3.900 . 6.000 3.479 3.402 3.632 . 0 0 "[ . 1 . ]" 1 578 1 36 THR HG1 1 37 ASN H 3.900 . 6.000 3.827 3.007 4.086 . 0 0 "[ . 1 . ]" 1 579 1 37 ASN H 1 38 THR HB 3.900 . 6.000 5.249 4.955 5.471 . 0 0 "[ . 1 . ]" 1 580 1 37 ASN H 1 38 THR MG 3.900 . 6.000 6.068 5.885 6.137 0.137 3 0 "[ . 1 . ]" 1 581 1 37 ASN H 1 38 THR H 3.900 . 4.750 2.649 2.411 2.857 . 0 0 "[ . 1 . ]" 1 582 1 37 ASN H 1 39 TYR HA 3.900 . 6.000 5.149 4.331 5.388 . 0 0 "[ . 1 . ]" 1 583 1 37 ASN H 1 39 TYR HB3 3.900 . 6.000 3.935 3.549 4.608 . 0 0 "[ . 1 . ]" 1 584 1 37 ASN H 1 39 TYR QD 3.900 . 6.000 4.148 4.004 4.354 . 0 0 "[ . 1 . ]" 1 585 1 37 ASN H 1 39 TYR QE 3.900 . 6.000 6.010 5.825 6.171 0.171 16 0 "[ . 1 . ]" 1 586 1 37 ASN H 1 38 THR HA 3.900 . 6.000 5.289 5.151 5.517 . 0 0 "[ . 1 . ]" 1 587 1 38 THR HA 1 38 THR MG . 2.150 2.900 2.309 2.233 2.392 . 0 0 "[ . 1 . ]" 1 588 1 38 THR H 1 38 THR HA 3.000 2.150 3.500 2.958 2.915 2.980 . 0 0 "[ . 1 . ]" 1 589 1 38 THR HA 1 39 TYR H 3.000 2.150 3.850 3.408 3.271 3.535 . 0 0 "[ . 1 . ]" 1 590 1 38 THR HA 1 38 THR HB 2.150 . 2.900 3.006 2.953 3.027 0.127 16 0 "[ . 1 . ]" 1 591 1 38 THR HB 1 38 THR HG1 2.150 . 2.900 2.414 2.285 2.768 . 0 0 "[ . 1 . ]" 1 592 1 38 THR H 1 38 THR HB 3.900 . 6.000 2.759 2.629 3.048 . 0 0 "[ . 1 . ]" 1 593 1 38 THR HB 1 39 TYR H 3.900 . 6.000 3.356 2.295 3.669 . 0 0 "[ . 1 . ]" 1 594 1 38 THR HB 1 41 THR MG 3.000 2.150 3.850 4.009 2.081 5.239 1.389 16 6 "[ . ***- .+ *]" 1 595 1 36 THR HB 1 38 THR HG1 3.900 . 6.000 3.194 2.382 3.678 . 0 0 "[ . 1 . ]" 1 596 1 36 THR H 1 38 THR HG1 3.900 . 6.000 5.740 5.430 6.087 0.087 17 0 "[ . 1 . ]" 1 597 1 37 ASN HA 1 38 THR HG1 3.900 . 6.000 4.307 4.176 4.629 . 0 0 "[ . 1 . ]" 1 598 1 37 ASN HD21 1 38 THR HG1 3.900 . 6.000 4.666 3.817 6.073 0.073 9 0 "[ . 1 . ]" 1 599 1 37 ASN H 1 38 THR HG1 3.900 . 6.000 4.509 4.186 5.000 . 0 0 "[ . 1 . ]" 1 600 1 38 THR HG1 1 39 TYR H 3.000 2.150 3.850 4.012 3.863 4.114 0.264 10 0 "[ . 1 . ]" 1 601 1 38 THR HB 1 38 THR MG 2.150 . 2.900 2.142 2.125 2.162 . 0 0 "[ . 1 . ]" 1 602 1 38 THR H 1 38 THR MG 3.000 2.150 3.850 3.909 3.782 3.939 0.089 18 0 "[ . 1 . ]" 1 603 1 36 THR HG1 1 38 THR H 3.900 . 6.000 4.689 3.031 4.995 . 0 0 "[ . 1 . ]" 1 604 1 38 THR H 1 39 TYR HB3 3.900 . 6.000 3.936 3.583 4.666 . 0 0 "[ . 1 . ]" 1 605 1 38 THR H 1 39 TYR HB2 3.900 . 6.000 5.423 5.173 5.948 . 0 0 "[ . 1 . ]" 1 606 1 38 THR H 1 39 TYR QD 3.900 . 6.000 3.362 3.216 3.848 . 0 0 "[ . 1 . ]" 1 607 1 38 THR H 1 39 TYR QE 3.900 . 6.000 5.302 5.171 5.523 . 0 0 "[ . 1 . ]" 1 608 1 38 THR H 1 39 TYR H 2.650 . 3.500 1.958 1.881 2.283 . 0 0 "[ . 1 . ]" 1 609 1 32 ARG QD 1 39 TYR HA 3.000 2.150 3.850 4.979 4.298 5.096 1.246 11 18 "[******-***+***** **]" 1 610 1 35 PRO HD2 1 39 TYR HA 3.900 . 6.000 5.780 5.150 6.160 0.160 16 0 "[ . 1 . ]" 1 611 1 39 TYR HA 1 39 TYR HB3 3.000 2.150 3.850 2.451 2.143 2.532 0.007 7 0 "[ . 1 . ]" 1 612 1 39 TYR HA 1 39 TYR HB2 3.000 2.150 3.850 2.366 2.316 2.494 . 0 0 "[ . 1 . ]" 1 613 1 39 TYR H 1 39 TYR HA 3.000 2.150 3.850 2.362 2.147 2.506 0.003 7 0 "[ . 1 . ]" 1 614 1 39 TYR HA 1 40 LYS H 3.000 2.150 3.850 3.614 3.334 3.747 . 0 0 "[ . 1 . ]" 1 615 1 39 TYR H 1 39 TYR HB3 3.000 2.150 3.850 2.383 2.202 2.875 . 0 0 "[ . 1 . ]" 1 616 1 39 TYR HB3 1 40 LYS H 3.000 2.150 3.500 3.888 3.464 4.034 0.534 15 4 "[ .- 1 * + *]" 1 617 1 39 TYR H 1 39 TYR HB2 3.000 2.150 3.850 3.597 3.486 3.892 0.042 7 0 "[ . 1 . ]" 1 618 1 39 TYR HB2 1 40 LYS H 3.000 2.150 3.850 3.522 2.386 3.967 0.117 19 0 "[ . 1 . ]" 1 619 1 35 PRO HB2 1 39 TYR H 3.900 . 6.000 6.320 6.090 6.440 0.440 17 0 "[ . 1 . ]" 1 620 1 38 THR MG 1 39 TYR H 3.900 . 6.000 4.191 3.736 4.366 . 0 0 "[ . 1 . ]" 1 621 1 39 TYR H 1 39 TYR QD 3.900 . 6.000 2.719 2.513 3.034 . 0 0 "[ . 1 . ]" 1 622 1 39 TYR H 1 39 TYR QE 3.900 . 6.000 4.963 4.738 5.050 . 0 0 "[ . 1 . ]" 1 623 1 39 TYR H 1 40 LYS HA 3.900 . 6.000 6.027 5.756 6.247 0.247 16 0 "[ . 1 . ]" 1 624 1 39 TYR H 1 40 LYS HB2 3.900 . 6.000 5.805 5.478 6.233 0.233 8 0 "[ . 1 . ]" 1 625 1 39 TYR H 1 40 LYS H 3.900 . 4.750 3.884 3.569 4.563 . 0 0 "[ . 1 . ]" 1 626 1 39 TYR H 1 41 THR MG 3.900 . 6.000 3.824 2.960 4.576 . 0 0 "[ . 1 . ]" 1 627 1 40 LYS HA 1 40 LYS HB3 3.000 2.150 3.850 2.964 2.588 3.088 . 0 0 "[ . 1 . ]" 1 628 1 40 LYS HA 1 40 LYS HD2 3.000 2.150 3.850 3.067 2.187 4.268 0.418 8 0 "[ . 1 . ]" 1 629 1 40 LYS HA 1 40 LYS HE3 3.900 . 6.000 4.291 2.261 5.005 . 0 0 "[ . 1 . ]" 1 630 1 40 LYS HA 1 40 LYS QG . 2.150 3.850 2.559 2.120 3.380 0.030 9 0 "[ . 1 . ]" 1 631 1 40 LYS H 1 40 LYS HA 3.000 2.150 3.850 2.824 2.125 2.950 0.025 16 0 "[ . 1 . ]" 1 632 1 40 LYS HA 1 41 THR MG 3.900 . 6.000 4.096 2.998 4.426 . 0 0 "[ . 1 . ]" 1 633 1 40 LYS HA 1 41 THR H 3.000 2.150 3.850 2.914 2.018 3.978 0.132 16 0 "[ . 1 . ]" 1 634 1 40 LYS HA 1 42 LEU QD 3.900 . 6.000 4.685 3.858 5.833 . 0 0 "[ . 1 . ]" 1 635 1 40 LYS HA 1 42 LEU H 3.900 . 6.000 5.431 3.866 6.062 0.062 8 0 "[ . 1 . ]" 1 636 1 40 LYS HB2 1 40 LYS HD2 3.900 . 6.000 3.325 2.175 3.888 . 0 0 "[ . 1 . ]" 1 637 1 40 LYS HB2 1 40 LYS HE2 3.900 . 6.000 4.413 3.448 5.035 . 0 0 "[ . 1 . ]" 1 638 1 40 LYS H 1 40 LYS HB2 3.000 2.150 3.500 2.368 1.921 3.620 0.229 3 0 "[ . 1 . ]" 1 639 1 40 LYS H 1 40 LYS HD2 3.900 . 6.000 4.786 2.663 5.921 . 0 0 "[ . 1 . ]" 1 640 1 40 LYS HD2 1 40 LYS QG 2.150 . 2.900 2.379 2.259 2.480 . 0 0 "[ . 1 . ]" 1 641 1 40 LYS HE2 1 40 LYS QG 3.000 2.150 3.850 2.600 2.305 3.381 . 0 0 "[ . 1 . ]" 1 642 1 40 LYS H 1 40 LYS QG . 2.150 3.850 3.585 2.771 4.117 0.267 7 0 "[ . 1 . ]" 1 643 1 39 TYR QD 1 40 LYS H 3.900 . 6.000 2.812 1.818 3.154 . 0 0 "[ . 1 . ]" 1 644 1 39 TYR QE 1 40 LYS H 3.900 . 6.000 3.783 3.553 4.572 . 0 0 "[ . 1 . ]" 1 645 1 40 LYS H 1 40 LYS HB3 3.900 . 6.000 2.902 2.124 4.190 . 0 0 "[ . 1 . ]" 1 646 1 40 LYS H 1 40 LYS HE2 3.900 . 6.000 6.061 4.886 6.830 0.830 18 5 "[* . *1 - +*]" 1 647 1 40 LYS H 1 41 THR MG 3.900 . 6.000 3.222 1.731 3.711 0.069 8 0 "[ . 1 . ]" 1 648 1 40 LYS H 1 41 THR H 3.900 . 4.750 2.972 2.344 3.982 . 0 0 "[ . 1 . ]" 1 649 1 40 LYS H 1 42 LEU QD 3.900 . 6.000 4.911 4.074 5.877 . 0 0 "[ . 1 . ]" 1 650 1 41 THR HA 1 41 THR HB 3.000 2.150 3.850 2.458 2.371 2.561 . 0 0 "[ . 1 . ]" 1 651 1 41 THR HA 1 41 THR MG 3.000 2.150 3.850 2.307 2.208 2.508 . 0 0 "[ . 1 . ]" 1 652 1 41 THR H 1 41 THR HA 3.000 2.150 3.850 2.637 2.303 3.013 . 0 0 "[ . 1 . ]" 1 653 1 41 THR HA 1 42 LEU H 3.000 2.150 3.850 2.409 2.043 3.622 0.107 15 0 "[ . 1 . ]" 1 654 1 41 THR HB 1 41 THR MG 3.000 2.150 3.850 2.148 2.119 2.165 0.031 13 0 "[ . 1 . ]" 1 655 1 41 THR HB 1 42 LEU H 3.000 2.150 3.850 3.664 2.195 4.094 0.244 14 0 "[ . 1 . ]" 1 656 1 39 TYR H 1 41 THR HG1 3.900 . 6.000 5.719 4.649 6.118 0.118 7 0 "[ . 1 . ]" 1 657 1 41 THR HG1 1 43 GLU HG3 3.900 . 6.000 5.544 4.115 6.282 0.282 16 0 "[ . 1 . ]" 1 658 1 30 ASP HA 1 41 THR MG 3.900 . 6.000 3.705 2.051 5.008 . 0 0 "[ . 1 . ]" 1 659 1 30 ASP HB3 1 41 THR MG 3.900 . 6.000 5.155 3.647 6.075 0.075 8 0 "[ . 1 . ]" 1 660 1 41 THR H 1 41 THR MG 3.000 2.150 3.850 2.398 2.120 3.131 0.030 4 0 "[ . 1 . ]" 1 661 1 41 THR MG 1 44 LEU H 3.900 . 6.000 4.810 4.477 5.174 . 0 0 "[ . 1 . ]" 1 662 1 30 ASP HB2 1 41 THR H 3.900 . 6.000 4.679 3.325 5.990 . 0 0 "[ . 1 . ]" 1 663 1 40 LYS HB2 1 41 THR H 3.900 . 6.000 3.980 3.149 4.572 . 0 0 "[ . 1 . ]" 1 664 1 40 LYS HD2 1 41 THR H 3.900 . 6.000 4.938 3.643 6.167 0.167 8 0 "[ . 1 . ]" 1 665 1 40 LYS QG 1 41 THR H 3.900 . 6.000 4.448 2.719 5.194 . 0 0 "[ . 1 . ]" 1 666 1 41 THR H 1 41 THR HB 3.900 . 6.000 3.699 3.538 3.847 . 0 0 "[ . 1 . ]" 1 667 1 41 THR H 1 42 LEU QD 3.900 . 6.000 3.892 2.775 5.161 . 0 0 "[ . 1 . ]" 1 668 1 41 THR H 1 42 LEU H 3.900 . 6.000 3.655 2.112 4.475 . 0 0 "[ . 1 . ]" 1 669 1 41 THR O 1 45 GLU H 2.100 . 2.600 2.655 2.147 2.787 0.187 2 0 "[ . 1 . ]" 1 670 1 41 THR O 1 45 GLU N 3.100 2.600 3.600 3.592 3.129 3.719 0.119 2 0 "[ . 1 . ]" 1 671 1 42 LEU HA 1 42 LEU QB 3.000 2.150 3.850 2.301 2.063 2.390 0.087 7 0 "[ . 1 . ]" 1 672 1 42 LEU HA 1 42 LEU QD 3.000 2.150 3.850 2.246 2.065 3.179 0.085 1 0 "[ . 1 . ]" 1 673 1 42 LEU HA 1 42 LEU HG 3.000 2.150 3.850 3.803 3.687 4.052 0.202 9 0 "[ . 1 . ]" 1 674 1 42 LEU H 1 42 LEU HA 3.000 2.150 3.850 2.783 2.588 2.966 . 0 0 "[ . 1 . ]" 1 675 1 42 LEU QB 1 42 LEU QD . 2.150 2.900 2.010 1.981 2.036 0.169 19 0 "[ . 1 . ]" 1 676 1 42 LEU QB 1 42 LEU HG . 2.150 2.900 2.089 1.989 2.140 0.161 9 0 "[ . 1 . ]" 1 677 1 42 LEU QB 1 94 ILE HB 3.900 . 6.000 4.369 3.001 6.370 0.370 4 0 "[ . 1 . ]" 1 678 1 42 LEU QB 1 94 ILE MG 3.900 . 6.000 3.097 2.068 4.998 . 0 0 "[ . 1 . ]" 1 679 1 42 LEU MD1 1 42 LEU MD2 2.150 2.150 2.900 2.085 2.045 2.155 0.105 9 0 "[ . 1 . ]" 1 680 1 42 LEU QD 1 42 LEU HG 2.150 2.150 2.900 1.873 1.838 1.888 0.312 4 0 "[ . 1 . ]" 1 681 1 42 LEU H 1 42 LEU QD 3.000 2.150 3.850 1.768 1.645 2.083 0.505 7 1 "[ . + 1 . ]" 1 682 1 42 LEU QD 1 91 LEU QB 3.900 . 6.000 3.755 2.252 6.249 0.249 4 0 "[ . 1 . ]" 1 683 1 42 LEU QD 1 94 ILE HA 3.900 . 6.000 5.156 4.600 7.889 1.889 4 1 "[ +. 1 . ]" 1 684 1 42 LEU QD 1 94 ILE HB 3.900 . 6.000 4.271 2.788 7.092 1.092 4 1 "[ +. 1 . ]" 1 685 1 42 LEU QD 1 94 ILE MD 3.900 . 6.000 3.256 2.135 5.283 . 0 0 "[ . 1 . ]" 1 686 1 42 LEU QD 1 94 ILE QG 3.900 . 6.000 3.995 2.578 5.759 . 0 0 "[ . 1 . ]" 1 687 1 42 LEU QD 1 94 ILE MG 3.900 . 6.000 2.787 2.170 4.539 . 0 0 "[ . 1 . ]" 1 688 1 42 LEU QD 1 95 LYS HA 3.900 . 6.000 3.352 2.300 7.473 1.473 4 1 "[ +. 1 . ]" 1 689 1 42 LEU QD 1 95 LYS QB 3.900 . 6.000 3.494 1.981 7.171 1.171 4 1 "[ +. 1 . ]" 1 690 1 42 LEU QD 1 95 LYS QD 3.900 . 6.000 4.746 2.381 8.726 2.726 4 1 "[ +. 1 . ]" 1 691 1 42 LEU QD 1 95 LYS QE 3.900 . 6.000 5.072 2.557 9.171 3.171 4 1 "[ +. 1 . ]" 1 692 1 42 LEU QD 1 95 LYS QG 3.900 . 6.000 4.592 2.264 8.481 2.481 4 1 "[ +. 1 . ]" 1 693 1 42 LEU H 1 42 LEU HG 3.000 2.150 3.850 3.858 3.706 3.961 0.111 1 0 "[ . 1 . ]" 1 694 1 42 LEU HG 1 94 ILE HA 3.900 . 6.000 5.306 4.709 10.131 4.131 4 1 "[ +. 1 . ]" 1 695 1 42 LEU HG 1 94 ILE HB 3.900 . 6.000 4.057 2.307 8.710 2.710 4 1 "[ +. 1 . ]" 1 696 1 42 LEU HG 1 94 ILE QG 3.900 . 6.000 4.039 2.100 7.251 1.251 4 1 "[ +. 1 . ]" 1 697 1 42 LEU HG 1 94 ILE MG 3.900 . 6.000 2.574 1.904 5.735 . 0 0 "[ . 1 . ]" 1 698 1 41 THR HG1 1 42 LEU H 3.900 . 6.000 4.695 2.842 5.278 . 0 0 "[ . 1 . ]" 1 699 1 42 LEU H 1 43 GLU HB3 3.900 . 6.000 5.474 4.047 6.052 0.052 2 0 "[ . 1 . ]" 1 700 1 42 LEU H 1 43 GLU HG2 3.900 . 6.000 4.747 3.399 6.246 0.246 15 0 "[ . 1 . ]" 1 701 1 42 LEU O 1 46 ILE H 2.100 . 2.600 1.799 1.742 1.932 . 0 0 "[ . 1 . ]" 1 702 1 42 LEU O 1 46 ILE N 3.100 2.600 3.600 2.791 2.744 2.864 . 0 0 "[ . 1 . ]" 1 703 1 43 GLU HA 1 43 GLU HB3 3.000 2.150 3.850 2.456 2.262 3.058 . 0 0 "[ . 1 . ]" 1 704 1 43 GLU HA 1 43 GLU HB2 3.000 2.150 3.850 2.478 2.361 3.025 . 0 0 "[ . 1 . ]" 1 705 1 43 GLU HA 1 43 GLU HG2 3.000 2.150 3.850 3.667 2.253 3.868 0.018 1 0 "[ . 1 . ]" 1 706 1 43 GLU HA 1 43 GLU HG3 3.000 2.150 3.850 3.649 2.773 3.878 0.028 5 0 "[ . 1 . ]" 1 707 1 43 GLU H 1 43 GLU HA 3.000 2.150 3.850 2.863 2.710 2.915 . 0 0 "[ . 1 . ]" 1 708 1 43 GLU HB3 1 43 GLU HG2 2.150 2.150 2.900 2.463 2.317 2.607 . 0 0 "[ . 1 . ]" 1 709 1 43 GLU HB3 1 43 GLU HG3 3.000 2.150 3.850 2.945 2.424 3.049 . 0 0 "[ . 1 . ]" 1 710 1 43 GLU H 1 43 GLU HB3 3.900 . 6.000 2.725 2.341 3.587 . 0 0 "[ . 1 . ]" 1 711 1 43 GLU HB2 1 43 GLU HG2 3.000 2.150 3.850 2.941 2.266 3.060 . 0 0 "[ . 1 . ]" 1 712 1 43 GLU HB2 1 43 GLU HG3 3.000 2.150 3.850 2.564 2.387 3.033 . 0 0 "[ . 1 . ]" 1 713 1 43 GLU H 1 43 GLU HB2 3.000 2.150 3.850 3.327 1.901 3.737 0.249 15 0 "[ . 1 . ]" 1 714 1 43 GLU H 1 43 GLU HG2 3.900 . 6.000 2.459 1.850 4.373 . 0 0 "[ . 1 . ]" 1 715 1 43 GLU H 1 43 GLU HG3 3.900 . 6.000 3.312 2.305 4.442 . 0 0 "[ . 1 . ]" 1 716 1 41 THR HB 1 43 GLU H 3.900 . 6.000 3.776 2.921 5.403 . 0 0 "[ . 1 . ]" 1 717 1 41 THR HG1 1 43 GLU H 3.900 . 6.000 5.372 3.164 6.025 0.025 19 0 "[ . 1 . ]" 1 718 1 42 LEU HA 1 43 GLU H 3.900 . 6.000 3.492 3.424 3.565 . 0 0 "[ . 1 . ]" 1 719 1 42 LEU QD 1 43 GLU H 3.900 . 6.000 3.573 1.942 4.133 . 0 0 "[ . 1 . ]" 1 720 1 42 LEU HG 1 43 GLU H 3.900 . 6.000 5.328 4.571 5.782 . 0 0 "[ . 1 . ]" 1 721 1 42 LEU H 1 43 GLU H . . 3.500 2.965 2.094 3.475 . 0 0 "[ . 1 . ]" 1 722 1 43 GLU H 1 44 LEU H . . 3.500 2.852 2.588 3.235 . 0 0 "[ . 1 . ]" 1 723 1 43 GLU H 1 45 GLU HB2 3.900 . 6.000 5.586 5.200 6.023 0.023 11 0 "[ . 1 . ]" 1 724 1 43 GLU H 1 46 ILE MG 3.900 . 6.000 5.761 4.402 6.085 0.085 9 0 "[ . 1 . ]" 1 725 1 43 GLU O 1 47 ALA H 2.100 . 2.600 2.252 1.926 2.647 0.047 8 0 "[ . 1 . ]" 1 726 1 43 GLU O 1 47 ALA N 3.100 2.600 3.600 3.230 2.889 3.628 0.028 9 0 "[ . 1 . ]" 1 727 1 44 LEU HB3 1 44 LEU MD2 . 2.150 3.850 2.608 2.212 3.287 . 0 0 "[ . 1 . ]" 1 728 1 44 LEU HB3 1 44 LEU HG . 2.150 2.900 2.851 2.503 3.022 0.122 8 0 "[ . 1 . ]" 1 729 1 44 LEU HA 1 44 LEU MD1 3.900 . 6.000 3.515 2.282 3.912 . 0 0 "[ . 1 . ]" 1 730 1 44 LEU HB3 1 44 LEU MD1 3.000 2.150 3.850 2.447 2.218 3.232 . 0 0 "[ . 1 . ]" 1 731 1 44 LEU MD1 1 44 LEU HG 3.000 2.150 3.850 2.132 2.084 2.153 0.066 7 0 "[ . 1 . ]" 1 732 1 44 LEU HA 1 44 LEU MD2 3.000 2.150 3.850 2.784 2.170 3.898 0.048 15 0 "[ . 1 . ]" 1 733 1 44 LEU HB2 1 44 LEU MD2 3.000 2.150 3.850 3.021 2.506 3.281 . 0 0 "[ . 1 . ]" 1 734 1 44 LEU MD2 1 44 LEU HG 3.000 2.150 3.850 2.137 2.120 2.166 0.030 1 0 "[ . 1 . ]" 1 735 1 44 LEU H 1 44 LEU MD2 3.900 . 6.000 4.279 4.167 4.412 . 0 0 "[ . 1 . ]" 1 736 1 44 LEU HA 1 44 LEU HG 3.000 2.150 3.850 2.872 2.422 3.798 . 0 0 "[ . 1 . ]" 1 737 1 44 LEU HB2 1 44 LEU HG 3.000 2.150 3.850 2.485 2.268 3.048 . 0 0 "[ . 1 . ]" 1 738 1 44 LEU H 1 44 LEU HG 3.900 . 6.000 4.414 4.178 4.628 . 0 0 "[ . 1 . ]" 1 739 1 30 ASP HB2 1 44 LEU H 3.900 . 6.000 6.009 5.569 6.145 0.145 1 0 "[ . 1 . ]" 1 740 1 44 LEU H 1 44 LEU HB3 3.900 . 6.000 2.587 2.325 2.891 . 0 0 "[ . 1 . ]" 1 741 1 44 LEU H 1 44 LEU HB2 2.650 . 3.500 2.410 2.151 2.637 . 0 0 "[ . 1 . ]" 1 742 1 44 LEU H 1 44 LEU MD1 3.900 . 6.000 4.153 4.043 4.346 . 0 0 "[ . 1 . ]" 1 743 1 44 LEU O 1 48 GLU H 2.100 . 2.600 1.860 1.758 2.228 . 0 0 "[ . 1 . ]" 1 744 1 44 LEU O 1 48 GLU N 3.100 2.600 3.600 2.831 2.762 2.949 . 0 0 "[ . 1 . ]" 1 745 1 45 GLU HA 1 45 GLU HB3 . 2.150 2.900 2.832 2.537 3.004 0.104 14 0 "[ . 1 . ]" 1 746 1 45 GLU HA 1 45 GLU HB2 3.000 2.150 3.850 2.731 2.424 3.031 . 0 0 "[ . 1 . ]" 1 747 1 45 GLU HA 1 45 GLU HG2 3.000 2.150 3.850 2.947 2.364 3.716 . 0 0 "[ . 1 . ]" 1 748 1 45 GLU HA 1 45 GLU HG3 . 2.150 3.850 2.532 2.274 2.788 . 0 0 "[ . 1 . ]" 1 749 1 45 GLU HB3 1 45 GLU HG2 2.150 . 2.900 2.392 2.301 2.512 . 0 0 "[ . 1 . ]" 1 750 1 45 GLU HB3 1 45 GLU HG3 2.150 2.150 2.900 2.900 2.544 3.021 0.121 12 0 "[ . 1 . ]" 1 751 1 45 GLU HB2 1 45 GLU HG3 2.150 . 2.900 2.642 2.420 3.012 0.112 14 0 "[ . 1 . ]" 1 752 1 42 LEU QD 1 45 GLU H 3.900 . 6.000 4.221 3.654 4.898 . 0 0 "[ . 1 . ]" 1 753 1 42 LEU H 1 45 GLU H 3.900 2.700 6.000 4.919 4.450 5.217 . 0 0 "[ . 1 . ]" 1 754 1 43 GLU HB2 1 45 GLU H 3.900 . 6.000 5.819 5.306 6.027 0.027 16 0 "[ . 1 . ]" 1 755 1 44 LEU HA 1 45 GLU H 3.900 . 6.000 3.598 3.550 3.651 . 0 0 "[ . 1 . ]" 1 756 1 44 LEU HB3 1 45 GLU H 3.900 . 6.000 2.434 2.114 3.083 . 0 0 "[ . 1 . ]" 1 757 1 44 LEU MD2 1 45 GLU H 3.900 . 6.000 3.755 3.116 4.268 . 0 0 "[ . 1 . ]" 1 758 1 45 GLU H 1 45 GLU HB3 3.900 . 6.000 3.078 2.619 3.637 . 0 0 "[ . 1 . ]" 1 759 1 45 GLU H 1 45 GLU HB2 3.900 . 6.000 2.319 2.080 2.440 . 0 0 "[ . 1 . ]" 1 760 1 45 GLU H 1 45 GLU HG2 3.900 . 6.000 4.325 3.786 4.685 . 0 0 "[ . 1 . ]" 1 761 1 45 GLU H 1 45 GLU HG3 3.900 . 6.000 3.733 2.497 4.583 . 0 0 "[ . 1 . ]" 1 762 1 45 GLU H 1 46 ILE HA 3.900 . 6.000 5.489 5.148 5.598 . 0 0 "[ . 1 . ]" 1 763 1 45 GLU H 1 46 ILE HB 3.900 . 6.000 4.666 4.372 4.979 . 0 0 "[ . 1 . ]" 1 764 1 45 GLU H 1 46 ILE MD 3.900 . 6.000 5.103 4.803 6.214 0.214 8 0 "[ . 1 . ]" 1 765 1 45 GLU H 1 46 ILE MG 3.900 . 6.000 5.799 4.124 6.029 0.029 18 0 "[ . 1 . ]" 1 766 1 45 GLU H 1 46 ILE H . . 3.500 2.812 2.609 2.921 . 0 0 "[ . 1 . ]" 1 767 1 45 GLU H 1 48 GLU H 3.900 . 6.000 4.692 4.586 4.826 . 0 0 "[ . 1 . ]" 1 768 1 45 GLU O 1 49 SER H 2.100 . 2.600 1.948 1.862 2.127 . 0 0 "[ . 1 . ]" 1 769 1 45 GLU O 1 49 SER N 3.100 2.600 3.600 2.924 2.822 3.104 . 0 0 "[ . 1 . ]" 1 770 1 45 GLU HA 1 46 ILE HA 4.300 3.450 5.150 4.958 4.770 5.057 . 0 0 "[ . 1 . ]" 1 771 1 46 ILE HA 1 46 ILE HB 3.000 2.150 3.850 2.973 2.564 3.037 . 0 0 "[ . 1 . ]" 1 772 1 46 ILE HA 1 46 ILE MD 3.000 2.150 3.850 3.762 1.981 3.880 0.169 8 0 "[ . 1 . ]" 1 773 1 46 ILE HA 1 91 LEU QB 3.900 . 6.000 2.950 2.483 5.085 . 0 0 "[ . 1 . ]" 1 774 1 46 ILE HA 1 91 LEU QD 3.900 . 6.000 2.982 2.039 3.707 . 0 0 "[ . 1 . ]" 1 775 1 46 ILE HA 1 91 LEU HG 3.900 . 6.000 4.066 3.422 5.576 . 0 0 "[ . 1 . ]" 1 776 1 46 ILE HA 1 92 GLU QB 3.900 . 6.000 5.737 5.296 9.391 3.391 4 1 "[ +. 1 . ]" 1 777 1 46 ILE HA 1 92 GLU QG 3.900 . 6.000 5.526 4.267 9.411 3.411 4 1 "[ +. 1 . ]" 1 778 1 46 ILE HB 1 46 ILE MD 3.000 2.150 3.850 2.338 2.249 3.142 . 0 0 "[ . 1 . ]" 1 779 1 46 ILE HB 1 46 ILE QG 3.000 2.150 3.850 2.343 2.117 2.421 0.033 8 0 "[ . 1 . ]" 1 780 1 46 ILE HB 1 46 ILE MG 3.000 2.150 3.850 2.173 2.131 2.197 0.019 8 0 "[ . 1 . ]" 1 781 1 46 ILE H 1 46 ILE HB 3.900 . 6.000 2.324 2.084 2.716 . 0 0 "[ . 1 . ]" 1 782 1 46 ILE HB 1 91 LEU QB 3.900 . 6.000 3.920 2.283 4.359 . 0 0 "[ . 1 . ]" 1 783 1 46 ILE HB 1 91 LEU QD 3.900 . 6.000 4.441 1.748 5.394 0.052 4 0 "[ . 1 . ]" 1 784 1 46 ILE HB 1 91 LEU HG 3.900 . 6.000 5.427 0.988 6.130 0.812 4 1 "[ +. 1 . ]" 1 785 1 46 ILE HB 1 92 GLU HA 3.900 . 6.000 5.323 4.250 7.590 1.590 4 1 "[ +. 1 . ]" 1 786 1 46 ILE HB 1 92 GLU QG 3.900 . 6.000 4.766 4.177 7.383 1.383 4 1 "[ +. 1 . ]" 1 787 1 46 ILE MD 1 46 ILE QG 3.000 2.150 3.850 1.909 1.872 1.932 0.278 8 0 "[ . 1 . ]" 1 788 1 46 ILE MD 1 46 ILE MG 3.000 2.150 3.850 2.157 2.059 2.518 0.091 9 0 "[ . 1 . ]" 1 789 1 46 ILE H 1 46 ILE MD 3.000 2.150 3.850 3.374 3.169 4.096 0.246 8 0 "[ . 1 . ]" 1 790 1 46 ILE MD 1 91 LEU HA 3.900 . 6.000 4.257 2.396 5.608 . 0 0 "[ . 1 . ]" 1 791 1 46 ILE MD 1 91 LEU QB 3.900 . 6.000 2.863 2.346 3.342 . 0 0 "[ . 1 . ]" 1 792 1 46 ILE MD 1 91 LEU QD 3.900 . 6.000 3.744 0.478 4.410 1.322 4 1 "[ +. 1 . ]" 1 793 1 46 ILE MD 1 91 LEU HG 3.900 . 6.000 4.637 2.025 5.177 . 0 0 "[ . 1 . ]" 1 794 1 46 ILE MD 1 92 GLU HA 3.900 . 6.000 2.398 1.932 6.252 0.252 4 0 "[ . 1 . ]" 1 795 1 46 ILE MD 1 92 GLU QB 3.900 . 6.000 3.520 2.865 6.282 0.282 4 0 "[ . 1 . ]" 1 796 1 46 ILE MD 1 92 GLU QG 3.900 . 6.000 2.504 2.080 6.597 0.597 4 1 "[ +. 1 . ]" 1 797 1 46 ILE QG 1 46 ILE MG 3.000 2.150 3.850 2.257 2.011 2.327 0.139 8 0 "[ . 1 . ]" 1 798 1 46 ILE QG 1 91 LEU HA 3.900 . 6.000 4.045 3.854 4.546 . 0 0 "[ . 1 . ]" 1 799 1 46 ILE QG 1 91 LEU QB 3.900 . 6.000 1.984 1.792 3.972 0.008 11 0 "[ . 1 . ]" 1 800 1 46 ILE QG 1 91 LEU QD 3.900 . 6.000 2.873 1.090 3.462 0.710 4 1 "[ +. 1 . ]" 1 801 1 46 ILE H 1 46 ILE MG 3.900 . 6.000 3.717 2.572 3.905 . 0 0 "[ . 1 . ]" 1 802 1 46 ILE MG 1 91 LEU QB 3.900 . 6.000 3.630 1.941 4.136 . 0 0 "[ . 1 . ]" 1 803 1 46 ILE MG 1 91 LEU QD 3.900 . 6.000 4.173 0.777 4.702 1.023 4 1 "[ +. 1 . ]" 1 804 1 46 ILE MG 1 92 GLU HA 3.900 . 6.000 4.034 3.684 5.870 . 0 0 "[ . 1 . ]" 1 805 1 46 ILE MG 1 92 GLU QB 3.900 . 6.000 3.801 3.376 5.310 . 0 0 "[ . 1 . ]" 1 806 1 46 ILE MG 1 92 GLU QG 3.900 . 6.000 2.786 2.182 5.507 . 0 0 "[ . 1 . ]" 1 807 1 42 LEU QD 1 46 ILE H 3.900 . 6.000 4.623 3.775 5.392 . 0 0 "[ . 1 . ]" 1 808 1 45 GLU HA 1 46 ILE H 3.900 . 6.000 3.566 3.526 3.631 . 0 0 "[ . 1 . ]" 1 809 1 45 GLU HB2 1 46 ILE H 3.900 . 6.000 3.511 2.969 4.144 . 0 0 "[ . 1 . ]" 1 810 1 45 GLU HG2 1 46 ILE H 3.900 . 6.000 4.719 4.128 5.288 . 0 0 "[ . 1 . ]" 1 811 1 45 GLU HG3 1 46 ILE H 3.900 . 6.000 4.683 4.123 4.968 . 0 0 "[ . 1 . ]" 1 812 1 46 ILE H 1 46 ILE QG 3.900 . 6.000 2.301 2.040 3.899 . 0 0 "[ . 1 . ]" 1 813 1 46 ILE H 1 47 ALA HA 3.900 . 6.000 5.506 5.399 5.597 . 0 0 "[ . 1 . ]" 1 814 1 46 ILE H 1 47 ALA H . . 3.500 2.933 2.830 3.050 . 0 0 "[ . 1 . ]" 1 815 1 46 ILE H 1 91 LEU QB 3.900 . 6.000 3.487 2.902 4.652 . 0 0 "[ . 1 . ]" 1 816 1 46 ILE H 1 91 LEU QD 3.900 . 6.000 3.396 2.427 4.357 . 0 0 "[ . 1 . ]" 1 817 1 46 ILE O 1 50 ASP H 2.100 . 2.600 1.966 1.803 2.079 . 0 0 "[ . 1 . ]" 1 818 1 46 ILE O 1 50 ASP N 3.100 2.600 3.600 2.975 2.815 3.091 . 0 0 "[ . 1 . ]" 1 819 1 47 ALA HA 1 47 ALA MB 3.000 2.150 3.850 2.150 2.139 2.162 0.011 13 0 "[ . 1 . ]" 1 820 1 23 ALA MB 1 47 ALA H 3.900 . 6.000 5.004 4.397 5.612 . 0 0 "[ . 1 . ]" 1 821 1 43 GLU HG3 1 47 ALA H 3.900 . 6.000 5.904 5.435 6.246 0.246 7 0 "[ . 1 . ]" 1 822 1 45 GLU HB2 1 47 ALA H 3.900 . 6.000 5.835 5.541 6.060 0.060 9 0 "[ . 1 . ]" 1 823 1 46 ILE HA 1 47 ALA H 3.900 . 6.000 3.613 3.580 3.641 . 0 0 "[ . 1 . ]" 1 824 1 46 ILE HB 1 47 ALA H 3.900 . 6.000 2.448 2.234 3.698 . 0 0 "[ . 1 . ]" 1 825 1 46 ILE MD 1 47 ALA H 3.900 . 6.000 4.259 3.746 4.441 . 0 0 "[ . 1 . ]" 1 826 1 46 ILE QG 1 47 ALA H 3.900 . 6.000 4.079 3.939 4.231 . 0 0 "[ . 1 . ]" 1 827 1 46 ILE MG 1 47 ALA H 3.900 . 6.000 2.864 1.838 3.205 . 0 0 "[ . 1 . ]" 1 828 1 47 ALA H 1 48 GLU HA 3.900 . 6.000 5.417 5.307 5.557 . 0 0 "[ . 1 . ]" 1 829 1 47 ALA H 1 48 GLU HB2 3.900 . 6.000 5.016 4.817 5.145 . 0 0 "[ . 1 . ]" 1 830 1 47 ALA H 1 48 GLU H . . 3.500 2.779 2.616 2.952 . 0 0 "[ . 1 . ]" 1 831 1 47 ALA O 1 51 VAL H 2.100 . 2.600 2.015 1.834 2.682 0.082 8 0 "[ . 1 . ]" 1 832 1 47 ALA O 1 51 VAL N 3.100 2.600 3.600 2.933 2.787 3.551 . 0 0 "[ . 1 . ]" 1 833 1 44 LEU HG 1 48 GLU H 3.900 . 6.000 5.491 4.264 6.090 0.090 17 0 "[ . 1 . ]" 1 834 1 45 GLU HB3 1 48 GLU H 3.900 . 6.000 5.518 5.138 5.767 . 0 0 "[ . 1 . ]" 1 835 1 45 GLU HG3 1 48 GLU H 3.900 . 6.000 5.525 5.127 5.789 . 0 0 "[ . 1 . ]" 1 836 1 46 ILE HB 1 48 GLU H 3.900 . 6.000 4.930 4.789 5.355 . 0 0 "[ . 1 . ]" 1 837 1 46 ILE QG 1 48 GLU H 3.900 . 6.000 5.732 5.688 5.771 . 0 0 "[ . 1 . ]" 1 838 1 46 ILE MG 1 48 GLU H 3.900 . 6.000 4.863 4.029 5.105 . 0 0 "[ . 1 . ]" 1 839 1 47 ALA HA 1 48 GLU H 3.900 . 6.000 3.580 3.422 3.626 . 0 0 "[ . 1 . ]" 1 840 1 47 ALA MB 1 48 GLU H 3.900 . 6.000 2.586 2.483 2.899 . 0 0 "[ . 1 . ]" 1 841 1 48 GLU H 1 48 GLU HB3 3.900 . 6.000 2.958 2.515 3.646 . 0 0 "[ . 1 . ]" 1 842 1 48 GLU H 1 48 GLU HB2 3.900 . 6.000 2.447 2.324 2.766 . 0 0 "[ . 1 . ]" 1 843 1 48 GLU H 1 48 GLU HG3 3.900 . 6.000 4.024 2.629 4.587 . 0 0 "[ . 1 . ]" 1 844 1 48 GLU H 1 48 GLU HG2 3.900 . 6.000 4.015 2.573 4.629 . 0 0 "[ . 1 . ]" 1 845 1 48 GLU H 1 49 SER H . . 3.500 2.786 2.439 2.893 . 0 0 "[ . 1 . ]" 1 846 1 48 GLU O 1 52 GLU H 2.100 . 2.600 2.148 1.895 2.653 0.053 17 0 "[ . 1 . ]" 1 847 1 48 GLU O 1 52 GLU N 3.100 2.600 3.600 3.061 2.823 3.540 . 0 0 "[ . 1 . ]" 1 848 1 49 SER HA 1 49 SER HB3 2.150 . 2.900 2.464 2.325 3.004 0.104 14 0 "[ . 1 . ]" 1 849 1 49 SER H 1 49 SER HA 3.000 2.150 3.850 2.868 2.838 2.905 . 0 0 "[ . 1 . ]" 1 850 1 49 SER HA 1 88 ALA MB 3.900 . 6.000 4.107 3.862 6.722 0.722 4 1 "[ +. 1 . ]" 1 851 1 49 SER HA 1 49 SER HB2 2.150 . 2.900 2.792 2.476 3.010 0.110 12 0 "[ . 1 . ]" 1 852 1 49 SER H 1 49 SER HB2 3.000 2.150 3.850 2.823 2.336 3.654 . 0 0 "[ . 1 . ]" 1 853 1 45 GLU HG3 1 49 SER H 3.900 . 6.000 5.246 4.097 6.101 0.101 1 0 "[ . 1 . ]" 1 854 1 46 ILE HB 1 49 SER H 3.900 . 6.000 5.697 5.454 5.815 . 0 0 "[ . 1 . ]" 1 855 1 46 ILE QG 1 49 SER H 3.900 . 6.000 5.548 5.416 5.606 . 0 0 "[ . 1 . ]" 1 856 1 46 ILE MG 1 49 SER H 3.900 . 6.000 5.097 4.839 5.243 . 0 0 "[ . 1 . ]" 1 857 1 46 ILE H 1 49 SER H 3.900 2.700 6.000 4.762 4.556 4.903 . 0 0 "[ . 1 . ]" 1 858 1 47 ALA MB 1 49 SER H 3.900 . 6.000 4.727 4.625 4.817 . 0 0 "[ . 1 . ]" 1 859 1 48 GLU HB3 1 49 SER H 3.900 . 6.000 2.924 2.461 3.626 . 0 0 "[ . 1 . ]" 1 860 1 48 GLU HB2 1 49 SER H 3.900 . 6.000 3.471 2.620 4.070 . 0 0 "[ . 1 . ]" 1 861 1 48 GLU HG3 1 49 SER H 3.900 . 6.000 4.631 3.789 5.085 . 0 0 "[ . 1 . ]" 1 862 1 49 SER H 1 49 SER HB3 2.650 . 3.500 3.226 2.567 3.595 0.095 5 0 "[ . 1 . ]" 1 863 1 49 SER H 1 50 ASP HB2 3.900 . 6.000 5.210 4.983 5.364 . 0 0 "[ . 1 . ]" 1 864 1 49 SER H 1 50 ASP H . . 3.500 2.915 2.757 3.003 . 0 0 "[ . 1 . ]" 1 865 1 49 SER O 1 53 VAL H 2.100 . 2.600 2.534 2.400 2.610 0.010 19 0 "[ . 1 . ]" 1 866 1 49 SER O 1 53 VAL N 3.100 2.600 3.600 3.157 3.061 3.257 . 0 0 "[ . 1 . ]" 1 867 1 50 ASP HA 1 50 ASP HB3 3.000 2.150 3.850 3.032 3.019 3.042 . 0 0 "[ . 1 . ]" 1 868 1 50 ASP H 1 50 ASP HA 3.000 2.150 3.850 2.821 2.754 2.862 . 0 0 "[ . 1 . ]" 1 869 1 50 ASP HA 1 50 ASP HB2 3.000 2.150 3.850 2.495 2.451 2.572 . 0 0 "[ . 1 . ]" 1 870 1 50 ASP H 1 50 ASP HB2 3.000 2.150 3.500 2.395 2.315 2.482 . 0 0 "[ . 1 . ]" 1 871 1 50 ASP H 1 51 VAL HA 3.900 . 6.000 5.498 5.421 5.646 . 0 0 "[ . 1 . ]" 1 872 1 50 ASP H 1 51 VAL MG1 3.900 . 6.000 5.727 4.342 6.100 0.100 6 0 "[ . 1 . ]" 1 873 1 50 ASP H 1 51 VAL MG2 3.900 . 6.000 4.886 4.428 6.181 0.181 14 0 "[ . 1 . ]" 1 874 1 50 ASP H 1 51 VAL H . . 3.500 2.884 2.800 3.109 . 0 0 "[ . 1 . ]" 1 875 1 50 ASP H 1 89 THR HG1 3.900 . 6.000 6.321 6.152 7.956 1.956 4 1 "[ +. 1 . ]" 1 876 1 50 ASP O 1 54 LYS H 2.100 . 2.600 2.411 2.180 2.624 0.024 8 0 "[ . 1 . ]" 1 877 1 50 ASP O 1 54 LYS N 3.100 2.600 3.600 3.227 3.052 3.477 . 0 0 "[ . 1 . ]" 1 878 1 51 VAL HA 1 51 VAL MG1 2.150 2.150 2.900 2.661 2.303 3.164 0.264 14 0 "[ . 1 . ]" 1 879 1 51 VAL HA 1 51 VAL MG2 2.150 2.150 2.900 2.260 2.123 3.167 0.267 12 0 "[ . 1 . ]" 1 880 1 51 VAL H 1 51 VAL HA 3.000 2.150 3.850 2.900 2.871 2.915 . 0 0 "[ . 1 . ]" 1 881 1 51 VAL H 1 51 VAL HB 3.000 2.150 3.850 2.440 2.179 3.728 . 0 0 "[ . 1 . ]" 1 882 1 51 VAL HB 1 51 VAL MG1 3.000 2.150 3.850 2.133 2.124 2.144 0.026 9 0 "[ . 1 . ]" 1 883 1 51 VAL MG1 1 51 VAL MG2 2.150 . 2.900 2.060 2.021 2.122 . 0 0 "[ . 1 . ]" 1 884 1 51 VAL HB 1 51 VAL MG2 3.000 2.150 3.850 2.151 2.093 2.189 0.057 18 0 "[ . 1 . ]" 1 885 1 51 VAL H 1 51 VAL MG2 3.000 2.150 3.850 2.731 2.156 3.812 . 0 0 "[ . 1 . ]" 1 886 1 19 ALA MB 1 51 VAL H 3.900 . 6.000 4.990 4.074 5.356 . 0 0 "[ . 1 . ]" 1 887 1 23 ALA MB 1 51 VAL H 3.900 . 6.000 5.087 4.559 5.627 . 0 0 "[ . 1 . ]" 1 888 1 47 ALA MB 1 51 VAL H 3.900 . 6.000 4.618 4.414 4.957 . 0 0 "[ . 1 . ]" 1 889 1 48 GLU HB2 1 51 VAL H 3.900 . 6.000 5.789 5.609 6.003 0.003 14 0 "[ . 1 . ]" 1 890 1 48 GLU H 1 51 VAL H 3.900 . 6.000 4.734 4.567 4.842 . 0 0 "[ . 1 . ]" 1 891 1 49 SER HB2 1 51 VAL H 3.900 . 6.000 5.325 4.972 5.919 . 0 0 "[ . 1 . ]" 1 892 1 50 ASP HA 1 51 VAL H 3.900 . 6.000 3.615 3.587 3.641 . 0 0 "[ . 1 . ]" 1 893 1 50 ASP HB2 1 51 VAL H 3.900 . 6.000 3.985 3.897 4.074 . 0 0 "[ . 1 . ]" 1 894 1 51 VAL H 1 51 VAL MG1 3.900 . 6.000 3.444 2.204 3.785 . 0 0 "[ . 1 . ]" 1 895 1 51 VAL H 1 52 GLU HB3 3.900 . 6.000 6.127 6.090 6.159 0.159 13 0 "[ . 1 . ]" 1 896 1 51 VAL H 1 52 GLU HB2 3.900 . 6.000 4.683 4.638 4.784 . 0 0 "[ . 1 . ]" 1 897 1 51 VAL O 1 55 LYS H 2.100 . 2.600 1.962 1.892 2.177 . 0 0 "[ . 1 . ]" 1 898 1 51 VAL O 1 55 LYS N 3.100 2.600 3.600 2.962 2.883 3.158 . 0 0 "[ . 1 . ]" 1 899 1 52 GLU HA 1 52 GLU HB3 2.150 . 2.900 2.598 2.501 2.642 . 0 0 "[ . 1 . ]" 1 900 1 52 GLU HA 1 52 GLU HB2 3.000 2.150 3.850 3.044 3.025 3.058 . 0 0 "[ . 1 . ]" 1 901 1 52 GLU HA 1 52 GLU HG2 . 2.150 2.900 2.330 2.174 2.435 . 0 0 "[ . 1 . ]" 1 902 1 52 GLU HB3 1 52 GLU HG2 2.150 . 2.900 2.502 2.443 2.647 . 0 0 "[ . 1 . ]" 1 903 1 52 GLU HB2 1 52 GLU HG2 2.150 . 2.900 3.019 3.005 3.024 0.124 14 0 "[ . 1 . ]" 1 904 1 52 GLU H 1 52 GLU HG2 3.000 2.150 3.850 3.764 3.518 3.888 0.038 14 0 "[ . 1 . ]" 1 905 1 52 GLU HA 1 52 GLU HG3 3.000 2.150 3.850 2.999 2.767 3.160 . 0 0 "[ . 1 . ]" 1 906 1 52 GLU HB3 1 52 GLU HG3 3.000 2.150 3.850 3.041 3.013 3.047 . 0 0 "[ . 1 . ]" 1 907 1 52 GLU HB2 1 52 GLU HG3 2.150 . 2.900 2.446 2.350 2.493 . 0 0 "[ . 1 . ]" 1 908 1 52 GLU H 1 52 GLU HG3 3.000 2.150 3.850 2.771 2.548 2.944 . 0 0 "[ . 1 . ]" 1 909 1 19 ALA MB 1 52 GLU H 3.900 . 6.000 5.911 5.383 6.057 0.057 11 0 "[ . 1 . ]" 1 910 1 50 ASP HB3 1 52 GLU H 3.900 . 6.000 5.057 4.916 5.186 . 0 0 "[ . 1 . ]" 1 911 1 51 VAL HA 1 52 GLU H 3.900 . 6.000 3.544 3.480 3.607 . 0 0 "[ . 1 . ]" 1 912 1 51 VAL MG1 1 52 GLU H 3.900 . 6.000 3.293 2.407 4.143 . 0 0 "[ . 1 . ]" 1 913 1 51 VAL MG2 1 52 GLU H 3.900 . 6.000 4.058 2.568 4.279 . 0 0 "[ . 1 . ]" 1 914 1 52 GLU H 1 52 GLU HB3 3.900 . 6.000 3.572 3.534 3.613 . 0 0 "[ . 1 . ]" 1 915 1 52 GLU H 1 52 GLU HB2 3.900 . 6.000 2.323 2.267 2.421 . 0 0 "[ . 1 . ]" 1 916 1 52 GLU H 1 53 VAL H . . 3.500 2.679 2.492 2.800 . 0 0 "[ . 1 . ]" 1 917 1 52 GLU O 1 56 ALA H 2.100 . 2.600 2.237 2.008 2.623 0.023 2 0 "[ . 1 . ]" 1 918 1 52 GLU O 1 56 ALA N 3.100 2.600 3.600 3.137 2.940 3.509 . 0 0 "[ . 1 . ]" 1 919 1 53 VAL HA 1 53 VAL HB 3.000 2.150 3.850 3.047 3.010 3.074 . 0 0 "[ . 1 . ]" 1 920 1 53 VAL HA 1 53 VAL MG1 2.150 2.150 2.900 2.549 2.284 2.755 . 0 0 "[ . 1 . ]" 1 921 1 53 VAL HA 1 53 VAL MG2 3.000 2.150 3.850 2.381 2.202 2.541 . 0 0 "[ . 1 . ]" 1 922 1 53 VAL H 1 53 VAL HA 3.000 2.150 3.850 2.952 2.936 2.972 . 0 0 "[ . 1 . ]" 1 923 1 53 VAL HB 1 53 VAL MG1 2.150 2.150 2.900 2.132 2.109 2.166 0.041 16 0 "[ . 1 . ]" 1 924 1 53 VAL HB 1 53 VAL MG2 3.000 2.150 3.850 2.141 2.111 2.160 0.039 19 0 "[ . 1 . ]" 1 925 1 53 VAL H 1 53 VAL HB 3.000 2.150 3.850 2.441 2.209 2.669 . 0 0 "[ . 1 . ]" 1 926 1 53 VAL MG1 1 53 VAL MG2 2.150 . 2.900 2.051 1.991 2.108 . 0 0 "[ . 1 . ]" 1 927 1 53 VAL H 1 53 VAL MG1 3.000 2.150 3.850 3.773 3.606 3.853 0.003 17 0 "[ . 1 . ]" 1 928 1 53 VAL H 1 53 VAL MG2 3.000 2.150 3.850 2.526 2.174 2.886 . 0 0 "[ . 1 . ]" 1 929 1 50 ASP HB3 1 53 VAL H 3.900 . 6.000 5.280 5.129 5.408 . 0 0 "[ . 1 . ]" 1 930 1 50 ASP H 1 53 VAL H 3.900 . 6.000 4.899 4.762 4.997 . 0 0 "[ . 1 . ]" 1 931 1 51 VAL HB 1 53 VAL H 3.900 . 6.000 5.269 5.040 5.675 . 0 0 "[ . 1 . ]" 1 932 1 52 GLU HA 1 53 VAL H 3.900 . 6.000 3.445 3.344 3.491 . 0 0 "[ . 1 . ]" 1 933 1 53 VAL H 1 54 LYS HB2 3.900 . 6.000 3.931 3.728 4.157 . 0 0 "[ . 1 . ]" 1 934 1 53 VAL H 1 54 LYS HG2 3.900 . 6.000 6.194 6.094 6.311 0.311 9 0 "[ . 1 . ]" 1 935 1 53 VAL H 1 54 LYS H 3.900 . 4.750 2.255 2.136 2.369 . 0 0 "[ . 1 . ]" 1 936 1 53 VAL O 1 57 GLU H 2.100 . 2.600 2.109 1.958 2.364 . 0 0 "[ . 1 . ]" 1 937 1 53 VAL O 1 57 GLU N 3.100 2.600 3.600 3.076 2.893 3.334 . 0 0 "[ . 1 . ]" 1 938 1 54 LYS HA 1 54 LYS HB3 3.000 2.150 3.850 2.816 2.719 2.934 . 0 0 "[ . 1 . ]" 1 939 1 54 LYS HB3 1 54 LYS HD2 3.000 2.150 3.850 3.774 3.734 3.806 . 0 0 "[ . 1 . ]" 1 940 1 54 LYS HB3 1 54 LYS HE2 3.900 . 6.000 5.199 4.747 5.607 . 0 0 "[ . 1 . ]" 1 941 1 54 LYS HB3 1 54 LYS HG2 3.000 2.150 3.850 2.418 2.386 2.454 . 0 0 "[ . 1 . ]" 1 942 1 54 LYS H 1 54 LYS HB3 3.900 . 6.000 3.263 3.094 3.386 . 0 0 "[ . 1 . ]" 1 943 1 54 LYS HB2 1 54 LYS HG3 3.000 2.150 3.850 2.995 2.977 3.011 . 0 0 "[ . 1 . ]" 1 944 1 54 LYS HA 1 54 LYS HD2 3.000 2.150 3.850 2.572 2.240 2.818 . 0 0 "[ . 1 . ]" 1 945 1 54 LYS HB2 1 54 LYS HD2 2.150 . 2.900 2.841 2.736 2.922 0.022 16 0 "[ . 1 . ]" 1 946 1 54 LYS HD2 1 54 LYS HG3 3.000 2.150 3.850 2.521 2.490 2.588 . 0 0 "[ . 1 . ]" 1 947 1 54 LYS HD2 1 54 LYS HG2 2.150 . 2.900 3.060 3.054 3.070 0.170 1 0 "[ . 1 . ]" 1 948 1 54 LYS H 1 54 LYS HD2 3.000 2.150 3.850 2.876 2.571 3.471 . 0 0 "[ . 1 . ]" 1 949 1 50 ASP HB3 1 54 LYS H 3.900 . 6.000 6.025 5.789 6.104 0.104 16 0 "[ . 1 . ]" 1 950 1 52 GLU HB3 1 54 LYS H 3.900 . 6.000 5.349 5.123 5.485 . 0 0 "[ . 1 . ]" 1 951 1 53 VAL HA 1 54 LYS H 3.900 . 6.000 3.495 3.421 3.532 . 0 0 "[ . 1 . ]" 1 952 1 53 VAL HB 1 54 LYS H 3.900 . 6.000 2.855 2.549 3.191 . 0 0 "[ . 1 . ]" 1 953 1 53 VAL MG2 1 54 LYS H 3.900 . 6.000 3.963 3.718 4.247 . 0 0 "[ . 1 . ]" 1 954 1 54 LYS H 1 54 LYS HB2 3.900 . 6.000 2.042 1.937 2.144 . 0 0 "[ . 1 . ]" 1 955 1 54 LYS H 1 54 LYS HE2 3.900 . 6.000 5.342 5.026 5.816 . 0 0 "[ . 1 . ]" 1 956 1 54 LYS H 1 54 LYS HG3 3.900 . 6.000 4.063 3.913 4.287 . 0 0 "[ . 1 . ]" 1 957 1 54 LYS H 1 54 LYS HG2 3.900 . 6.000 4.263 4.150 4.502 . 0 0 "[ . 1 . ]" 1 958 1 54 LYS H 1 55 LYS HA 3.900 . 6.000 5.149 5.065 5.325 . 0 0 "[ . 1 . ]" 1 959 1 54 LYS H 1 55 LYS HD2 3.900 . 6.000 6.261 6.149 6.378 0.378 8 0 "[ . 1 . ]" 1 960 1 54 LYS H 1 55 LYS H 3.900 . 4.750 2.529 2.388 2.706 . 0 0 "[ . 1 . ]" 1 961 1 54 LYS H 1 57 GLU H 3.900 . 6.000 4.757 4.505 4.981 . 0 0 "[ . 1 . ]" 1 962 1 54 LYS O 1 58 LEU H 2.100 . 2.600 2.063 1.891 2.552 . 0 0 "[ . 1 . ]" 1 963 1 54 LYS O 1 58 LEU N 3.100 2.600 3.600 3.030 2.886 3.544 . 0 0 "[ . 1 . ]" 1 964 1 55 LYS HA 1 55 LYS QB 3.000 2.150 3.850 2.467 2.402 2.529 . 0 0 "[ . 1 . ]" 1 965 1 55 LYS HA 1 55 LYS HD2 2.150 . 2.900 2.372 2.155 3.039 0.139 1 0 "[ . 1 . ]" 1 966 1 55 LYS HA 1 55 LYS HE2 3.900 . 6.000 2.540 1.963 5.123 . 0 0 "[ . 1 . ]" 1 967 1 55 LYS HA 1 55 LYS HE3 3.900 . 6.000 3.151 2.617 5.280 . 0 0 "[ . 1 . ]" 1 968 1 55 LYS HA 1 55 LYS HG3 3.000 2.150 3.850 3.192 2.894 3.672 . 0 0 "[ . 1 . ]" 1 969 1 55 LYS HA 1 55 LYS HG2 3.000 2.150 3.850 3.545 2.376 3.822 . 0 0 "[ . 1 . ]" 1 970 1 55 LYS H 1 55 LYS HA 3.000 2.150 3.850 2.764 2.700 2.842 . 0 0 "[ . 1 . ]" 1 971 1 55 LYS QB 1 55 LYS HE2 3.000 2.150 3.850 3.303 2.017 3.482 0.133 1 0 "[ . 1 . ]" 1 972 1 55 LYS QB 1 55 LYS HE3 3.900 . 6.000 3.901 2.114 4.228 . 0 0 "[ . 1 . ]" 1 973 1 55 LYS QB 1 55 LYS HG3 . 2.150 2.900 2.306 2.152 2.376 . 0 0 "[ . 1 . ]" 1 974 1 55 LYS QB 1 55 LYS HG2 . 2.150 2.900 2.187 2.137 2.409 0.013 11 0 "[ . 1 . ]" 1 975 1 55 LYS QB 1 55 LYS HD2 2.150 . 2.900 2.342 2.221 2.592 . 0 0 "[ . 1 . ]" 1 976 1 55 LYS HD2 1 55 LYS HE2 2.150 . 2.900 2.656 2.488 2.994 0.094 9 0 "[ . 1 . ]" 1 977 1 55 LYS HD2 1 55 LYS HE3 2.150 . 2.900 2.354 2.260 2.401 . 0 0 "[ . 1 . ]" 1 978 1 55 LYS HD2 1 55 LYS HG3 2.150 . 2.900 2.981 2.960 2.996 0.096 11 0 "[ . 1 . ]" 1 979 1 16 VAL HA 1 55 LYS H 3.900 . 6.000 5.813 5.123 6.029 0.029 6 0 "[ . 1 . ]" 1 980 1 51 VAL MG1 1 55 LYS H 3.900 . 6.000 4.118 3.738 5.731 . 0 0 "[ . 1 . ]" 1 981 1 52 GLU HG3 1 55 LYS H 3.900 . 6.000 5.555 4.964 6.015 0.015 1 0 "[ . 1 . ]" 1 982 1 52 GLU H 1 55 LYS H 3.900 . 6.000 4.619 4.511 4.785 . 0 0 "[ . 1 . ]" 1 983 1 53 VAL HB 1 55 LYS H 3.900 . 6.000 5.280 4.988 5.519 . 0 0 "[ . 1 . ]" 1 984 1 54 LYS HA 1 55 LYS H 3.900 . 6.000 3.539 3.493 3.565 . 0 0 "[ . 1 . ]" 1 985 1 54 LYS HB3 1 55 LYS H 3.900 . 6.000 2.756 2.526 2.936 . 0 0 "[ . 1 . ]" 1 986 1 54 LYS HD2 1 55 LYS H 3.900 . 6.000 4.828 4.700 5.010 . 0 0 "[ . 1 . ]" 1 987 1 54 LYS HG3 1 55 LYS H 3.900 . 6.000 4.754 4.514 4.873 . 0 0 "[ . 1 . ]" 1 988 1 55 LYS H 1 55 LYS HD2 3.900 . 6.000 3.875 3.554 4.632 . 0 0 "[ . 1 . ]" 1 989 1 55 LYS H 1 55 LYS HE2 3.900 . 6.000 4.787 4.553 5.553 . 0 0 "[ . 1 . ]" 1 990 1 55 LYS H 1 55 LYS HE3 3.900 . 6.000 5.345 4.707 5.991 . 0 0 "[ . 1 . ]" 1 991 1 55 LYS H 1 55 LYS HG3 3.900 . 6.000 4.545 4.374 4.606 . 0 0 "[ . 1 . ]" 1 992 1 55 LYS H 1 55 LYS HG2 3.900 . 6.000 4.432 4.196 4.518 . 0 0 "[ . 1 . ]" 1 993 1 55 LYS H 1 56 ALA HA 3.900 . 6.000 5.595 5.411 5.681 . 0 0 "[ . 1 . ]" 1 994 1 55 LYS H 1 56 ALA H . . 3.500 3.005 2.804 3.106 . 0 0 "[ . 1 . ]" 1 995 1 55 LYS O 1 59 GLU H 2.100 . 2.600 2.364 2.158 2.553 . 0 0 "[ . 1 . ]" 1 996 1 55 LYS O 1 59 GLU N 3.100 2.600 3.600 3.267 3.051 3.530 . 0 0 "[ . 1 . ]" 1 997 1 56 ALA HA 1 56 ALA MB 2.150 . 2.900 2.144 2.129 2.161 . 0 0 "[ . 1 . ]" 1 998 1 56 ALA H 1 56 ALA HA 3.000 2.150 3.850 2.890 2.853 2.928 . 0 0 "[ . 1 . ]" 1 999 1 56 ALA H 1 56 ALA MB 2.150 . 2.900 2.221 2.197 2.261 . 0 0 "[ . 1 . ]" 1 1000 1 52 GLU HG2 1 56 ALA H 3.900 . 6.000 5.572 5.170 5.894 . 0 0 "[ . 1 . ]" 1 1001 1 53 VAL HB 1 56 ALA H 3.900 . 6.000 5.596 5.419 5.821 . 0 0 "[ . 1 . ]" 1 1002 1 53 VAL MG2 1 56 ALA H 3.900 . 6.000 5.213 4.903 5.570 . 0 0 "[ . 1 . ]" 1 1003 1 53 VAL H 1 56 ALA H 3.900 2.700 6.000 4.665 4.393 5.034 . 0 0 "[ . 1 . ]" 1 1004 1 54 LYS HB3 1 56 ALA H 3.900 . 6.000 5.263 5.051 5.392 . 0 0 "[ . 1 . ]" 1 1005 1 54 LYS HD2 1 56 ALA H 3.900 . 6.000 6.084 6.012 6.155 0.155 13 0 "[ . 1 . ]" 1 1006 1 55 LYS HA 1 56 ALA H 3.900 . 6.000 3.555 3.516 3.638 . 0 0 "[ . 1 . ]" 1 1007 1 55 LYS QB 1 56 ALA H 3.900 . 6.000 2.461 2.232 2.622 . 0 0 "[ . 1 . ]" 1 1008 1 55 LYS HE2 1 56 ALA H 3.900 . 6.000 4.610 3.276 5.119 . 0 0 "[ . 1 . ]" 1 1009 1 55 LYS HE3 1 56 ALA H 3.900 . 6.000 5.695 3.172 6.140 0.140 4 0 "[ . 1 . ]" 1 1010 1 56 ALA H 1 57 GLU HB2 3.900 . 6.000 5.604 4.753 6.176 0.176 8 0 "[ . 1 . ]" 1 1011 1 56 ALA H 1 57 GLU HG2 3.900 . 6.000 5.360 4.600 6.072 0.072 1 0 "[ . 1 . ]" 1 1012 1 56 ALA H 1 57 GLU H . . 3.500 2.693 2.574 2.823 . 0 0 "[ . 1 . ]" 1 1013 1 56 ALA H 1 59 GLU H 3.900 2.700 6.000 4.949 4.791 5.106 . 0 0 "[ . 1 . ]" 1 1014 1 56 ALA O 1 60 LEU H 2.100 . 2.600 2.346 1.999 2.622 0.022 8 0 "[ . 1 . ]" 1 1015 1 56 ALA O 1 60 LEU N 3.100 2.600 3.600 3.277 2.993 3.508 . 0 0 "[ . 1 . ]" 1 1016 1 57 GLU HA 1 57 GLU HB3 3.000 2.150 3.850 2.587 2.500 2.767 . 0 0 "[ . 1 . ]" 1 1017 1 57 GLU HA 1 57 GLU HB2 3.000 2.150 3.850 2.562 2.178 3.046 . 0 0 "[ . 1 . ]" 1 1018 1 57 GLU HA 1 57 GLU HG2 . 2.150 3.850 3.114 2.127 3.874 0.024 8 0 "[ . 1 . ]" 1 1019 1 57 GLU HA 1 57 GLU HG3 3.000 2.150 3.850 3.363 2.991 3.673 . 0 0 "[ . 1 . ]" 1 1020 1 57 GLU HB3 1 57 GLU HG2 3.000 2.150 3.850 2.505 2.440 2.567 . 0 0 "[ . 1 . ]" 1 1021 1 57 GLU HB2 1 57 GLU HG2 2.150 . 2.900 2.995 2.989 3.011 0.111 9 0 "[ . 1 . ]" 1 1022 1 57 GLU H 1 57 GLU HG2 3.900 . 6.000 3.070 2.659 3.471 . 0 0 "[ . 1 . ]" 1 1023 1 57 GLU H 1 57 GLU HG3 3.000 2.150 3.850 3.343 2.458 4.089 0.239 9 0 "[ . 1 . ]" 1 1024 1 53 VAL HB 1 57 GLU H 3.900 . 6.000 5.885 5.573 6.058 0.058 14 0 "[ . 1 . ]" 1 1025 1 53 VAL MG2 1 57 GLU H 3.900 . 6.000 5.693 5.260 6.070 0.070 13 0 "[ . 1 . ]" 1 1026 1 54 LYS HB3 1 57 GLU H 3.900 . 6.000 5.541 5.331 5.907 . 0 0 "[ . 1 . ]" 1 1027 1 56 ALA HA 1 57 GLU H 3.900 . 6.000 3.617 3.592 3.642 . 0 0 "[ . 1 . ]" 1 1028 1 56 ALA MB 1 57 GLU H 3.900 . 6.000 2.638 2.487 2.832 . 0 0 "[ . 1 . ]" 1 1029 1 57 GLU H 1 57 GLU HB3 3.900 . 6.000 2.842 2.079 3.635 . 0 0 "[ . 1 . ]" 1 1030 1 57 GLU H 1 57 GLU HB2 3.900 . 6.000 3.057 2.386 3.567 . 0 0 "[ . 1 . ]" 1 1031 1 57 GLU H 1 58 LEU MD1 3.900 . 6.000 5.760 4.074 6.018 0.018 6 0 "[ . 1 . ]" 1 1032 1 57 GLU H 1 58 LEU H . . 3.500 2.823 2.673 2.947 . 0 0 "[ . 1 . ]" 1 1033 1 57 GLU H 1 60 LEU H 3.900 2.700 6.000 4.932 4.720 5.111 . 0 0 "[ . 1 . ]" 1 1034 1 57 GLU O 1 61 VAL H 2.100 . 2.600 2.143 1.983 2.495 . 0 0 "[ . 1 . ]" 1 1035 1 57 GLU O 1 61 VAL N 3.100 2.600 3.600 2.960 2.806 3.173 . 0 0 "[ . 1 . ]" 1 1036 1 58 LEU HA 1 58 LEU HB3 3.000 2.150 3.850 2.364 2.252 2.603 . 0 0 "[ . 1 . ]" 1 1037 1 58 LEU HA 1 58 LEU HB2 3.000 2.150 3.850 2.989 2.322 3.048 . 0 0 "[ . 1 . ]" 1 1038 1 58 LEU HA 1 58 LEU MD2 3.000 2.150 3.850 2.631 2.174 3.941 0.091 15 0 "[ . 1 . ]" 1 1039 1 58 LEU HA 1 58 LEU HG 3.000 2.150 3.850 3.643 3.194 3.876 0.026 15 0 "[ . 1 . ]" 1 1040 1 58 LEU H 1 58 LEU HA 3.000 2.150 3.500 2.867 2.842 2.897 . 0 0 "[ . 1 . ]" 1 1041 1 12 ALA HA 1 58 LEU HB3 3.900 . 6.000 6.054 4.705 6.224 0.224 17 0 "[ . 1 . ]" 1 1042 1 58 LEU H 1 58 LEU HB3 3.900 . 6.000 3.603 2.631 3.687 . 0 0 "[ . 1 . ]" 1 1043 1 58 LEU H 1 58 LEU HB2 . . 3.500 2.807 2.356 3.639 0.139 15 0 "[ . 1 . ]" 1 1044 1 12 ALA HA 1 58 LEU MD1 3.900 . 6.000 4.113 3.678 6.114 0.114 15 0 "[ . 1 . ]" 1 1045 1 12 ALA MB 1 58 LEU MD1 3.900 . 6.000 2.385 1.983 3.793 . 0 0 "[ . 1 . ]" 1 1046 1 58 LEU HA 1 58 LEU MD1 3.650 2.800 4.500 3.391 2.026 3.831 0.774 18 4 "[ - *. 1 . +*]" 1 1047 1 58 LEU HB3 1 58 LEU MD1 3.000 2.150 3.850 2.315 2.104 3.216 0.046 5 0 "[ . 1 . ]" 1 1048 1 58 LEU HB2 1 58 LEU MD1 3.150 2.400 3.900 2.568 2.252 3.269 0.148 15 0 "[ . 1 . ]" 1 1049 1 58 LEU MD1 1 58 LEU HG 2.150 . 2.900 2.122 2.086 2.177 . 0 0 "[ . 1 . ]" 1 1050 1 58 LEU H 1 58 LEU MD1 3.000 2.150 3.850 3.744 2.301 3.951 0.101 5 0 "[ . 1 . ]" 1 1051 1 9 VAL HA 1 58 LEU MD2 3.900 . 6.000 4.041 3.255 5.213 . 0 0 "[ . 1 . ]" 1 1052 1 12 ALA HA 1 58 LEU MD2 3.900 . 6.000 4.097 3.545 4.966 . 0 0 "[ . 1 . ]" 1 1053 1 12 ALA MB 1 58 LEU MD2 3.900 . 6.000 2.156 1.875 3.192 . 0 0 "[ . 1 . ]" 1 1054 1 16 VAL HA 1 58 LEU MD2 3.900 . 6.000 5.188 3.600 5.928 . 0 0 "[ . 1 . ]" 1 1055 1 16 VAL HB 1 58 LEU MD2 3.900 . 6.000 4.388 2.264 5.764 . 0 0 "[ . 1 . ]" 1 1056 1 58 LEU HB3 1 58 LEU MD2 3.000 2.150 3.850 2.639 2.200 3.261 . 0 0 "[ . 1 . ]" 1 1057 1 58 LEU HB2 1 58 LEU MD2 3.000 2.150 3.850 3.006 2.169 3.259 . 0 0 "[ . 1 . ]" 1 1058 1 58 LEU MD1 1 58 LEU MD2 2.150 . 2.900 2.072 2.005 2.104 . 0 0 "[ . 1 . ]" 1 1059 1 58 LEU MD2 1 58 LEU HG 2.150 . 2.900 2.142 2.102 2.166 . 0 0 "[ . 1 . ]" 1 1060 1 58 LEU H 1 58 LEU MD2 3.000 2.150 3.850 2.579 2.207 3.587 . 0 0 "[ . 1 . ]" 1 1061 1 16 VAL HA 1 58 LEU HG 3.900 . 6.000 6.090 6.021 6.146 0.146 14 0 "[ . 1 . ]" 1 1062 1 16 VAL HB 1 58 LEU HG 3.900 . 6.000 4.749 4.062 5.576 . 0 0 "[ . 1 . ]" 1 1063 1 16 VAL MG2 1 58 LEU HG 3.900 . 6.000 2.999 2.537 4.252 . 0 0 "[ . 1 . ]" 1 1064 1 55 LYS H 1 58 LEU H 3.900 . 6.000 4.897 4.773 5.137 . 0 0 "[ . 1 . ]" 1 1065 1 57 GLU HG2 1 58 LEU H 3.900 . 6.000 3.648 2.365 5.089 . 0 0 "[ . 1 . ]" 1 1066 1 58 LEU H 1 58 LEU HG 3.900 . 6.000 2.787 2.280 4.217 . 0 0 "[ . 1 . ]" 1 1067 1 58 LEU H 1 59 GLU HG3 3.900 . 6.000 5.729 4.468 6.391 0.391 19 0 "[ . 1 . ]" 1 1068 1 58 LEU H 1 61 VAL H 3.900 . 6.000 4.724 4.593 4.918 . 0 0 "[ . 1 . ]" 1 1069 1 58 LEU O 1 62 LYS H 2.100 . 2.600 2.585 2.237 2.707 0.107 19 0 "[ . 1 . ]" 1 1070 1 58 LEU O 1 62 LYS N 3.100 2.600 3.600 3.522 3.193 3.638 0.038 19 0 "[ . 1 . ]" 1 1071 1 59 GLU HA 1 59 GLU HG3 3.000 2.150 3.850 3.565 2.806 3.845 . 0 0 "[ . 1 . ]" 1 1072 1 59 GLU HB2 1 59 GLU HG3 2.150 . 2.900 2.451 2.374 2.522 . 0 0 "[ . 1 . ]" 1 1073 1 59 GLU H 1 59 GLU HG3 3.000 2.150 3.850 3.334 2.206 3.915 0.065 7 0 "[ . 1 . ]" 1 1074 1 59 GLU HA 1 59 GLU HG2 3.000 2.150 3.850 3.126 2.406 3.789 . 0 0 "[ . 1 . ]" 1 1075 1 59 GLU HB3 1 59 GLU HG2 2.150 . 2.900 2.759 2.394 3.040 0.140 18 0 "[ . 1 . ]" 1 1076 1 59 GLU H 1 59 GLU HG2 3.000 2.150 3.850 2.660 2.011 3.726 0.139 15 0 "[ . 1 . ]" 1 1077 1 55 LYS QB 1 59 GLU H 3.900 . 6.000 5.580 5.364 5.692 . 0 0 "[ . 1 . ]" 1 1078 1 55 LYS HE3 1 59 GLU H 3.900 . 6.000 5.268 4.641 6.052 0.052 8 0 "[ . 1 . ]" 1 1079 1 57 GLU HG2 1 59 GLU H 3.900 . 6.000 5.708 5.159 6.233 0.233 13 0 "[ . 1 . ]" 1 1080 1 58 LEU HB3 1 59 GLU H 3.900 . 6.000 3.968 3.557 4.394 . 0 0 "[ . 1 . ]" 1 1081 1 58 LEU HB2 1 59 GLU H 3.900 . 6.000 2.958 2.376 4.182 . 0 0 "[ . 1 . ]" 1 1082 1 58 LEU MD2 1 59 GLU H 3.900 . 6.000 4.533 4.399 4.784 . 0 0 "[ . 1 . ]" 1 1083 1 58 LEU HG 1 59 GLU H 3.900 . 6.000 4.488 3.420 5.631 . 0 0 "[ . 1 . ]" 1 1084 1 58 LEU H 1 59 GLU H . . 3.500 2.814 2.645 2.987 . 0 0 "[ . 1 . ]" 1 1085 1 59 GLU H 1 59 GLU HB3 2.650 . 3.500 3.405 2.516 3.631 0.131 10 0 "[ . 1 . ]" 1 1086 1 59 GLU H 1 59 GLU HB2 2.650 . 3.500 2.715 2.347 3.649 0.149 13 0 "[ . 1 . ]" 1 1087 1 59 GLU H 1 60 LEU HB3 3.900 . 6.000 5.894 4.445 6.187 0.187 9 0 "[ . 1 . ]" 1 1088 1 59 GLU H 1 60 LEU H . . 3.400 2.701 2.516 2.924 . 0 0 "[ . 1 . ]" 1 1089 1 59 GLU H 1 62 LYS H 3.900 . 6.000 5.171 4.941 5.381 . 0 0 "[ . 1 . ]" 1 1090 1 59 GLU O 1 63 GLU H 2.100 . 2.600 2.464 2.323 2.717 0.117 13 0 "[ . 1 . ]" 1 1091 1 59 GLU O 1 63 GLU N 3.100 2.600 3.600 3.381 3.261 3.641 0.041 6 0 "[ . 1 . ]" 1 1092 1 60 LEU HB3 1 60 LEU MD1 3.000 2.150 3.850 2.492 2.274 3.257 . 0 0 "[ . 1 . ]" 1 1093 1 60 LEU HB3 1 60 LEU MD2 3.000 2.150 3.850 3.185 2.175 3.285 . 0 0 "[ . 1 . ]" 1 1094 1 60 LEU H 1 60 LEU HB3 3.900 . 6.000 3.291 2.059 3.587 . 0 0 "[ . 1 . ]" 1 1095 1 60 LEU HB2 1 60 LEU MD1 3.000 2.150 3.850 3.218 2.345 3.300 . 0 0 "[ . 1 . ]" 1 1096 1 60 LEU HB2 1 60 LEU MD2 3.000 2.150 3.850 2.392 2.297 2.546 . 0 0 "[ . 1 . ]" 1 1097 1 60 LEU HB2 1 60 LEU HG 3.000 2.150 3.850 2.486 2.217 3.042 . 0 0 "[ . 1 . ]" 1 1098 1 60 LEU H 1 60 LEU HB2 . . 3.500 2.312 2.121 3.314 . 0 0 "[ . 1 . ]" 1 1099 1 60 LEU HA 1 60 LEU MD1 3.000 2.150 3.850 2.199 1.976 3.477 0.174 9 0 "[ . 1 . ]" 1 1100 1 60 LEU MD1 1 60 LEU MD2 2.150 . 2.900 2.076 2.015 2.127 . 0 0 "[ . 1 . ]" 1 1101 1 60 LEU MD1 1 60 LEU HG 3.000 2.150 3.850 2.130 2.080 2.174 0.070 8 0 "[ . 1 . ]" 1 1102 1 60 LEU H 1 60 LEU MD1 3.900 . 6.000 3.991 3.317 4.403 . 0 0 "[ . 1 . ]" 1 1103 1 60 LEU MD1 1 74 VAL HA 3.900 . 6.000 2.353 1.992 4.698 . 0 0 "[ . 1 . ]" 1 1104 1 60 LEU MD1 1 74 VAL HB 3.900 . 6.000 3.099 2.206 5.698 . 0 0 "[ . 1 . ]" 1 1105 1 60 LEU HA 1 60 LEU MD2 3.000 2.150 3.850 2.652 2.125 3.983 0.133 3 0 "[ . 1 . ]" 1 1106 1 60 LEU MD2 1 60 LEU HG 2.150 . 2.900 2.136 2.068 2.165 . 0 0 "[ . 1 . ]" 1 1107 1 60 LEU H 1 60 LEU MD2 3.000 2.150 3.850 2.883 2.140 3.999 0.149 17 0 "[ . 1 . ]" 1 1108 1 58 LEU HB3 1 60 LEU H 3.900 . 6.000 5.747 5.267 6.050 0.050 17 0 "[ . 1 . ]" 1 1109 1 59 GLU HA 1 60 LEU H 3.900 . 6.000 3.580 3.496 3.630 . 0 0 "[ . 1 . ]" 1 1110 1 59 GLU HG3 1 60 LEU H 3.900 . 6.000 4.544 2.812 5.367 . 0 0 "[ . 1 . ]" 1 1111 1 59 GLU HG2 1 60 LEU H 3.900 . 6.000 4.372 2.965 5.156 . 0 0 "[ . 1 . ]" 1 1112 1 60 LEU H 1 60 LEU HG 3.900 . 6.000 4.231 3.605 4.755 . 0 0 "[ . 1 . ]" 1 1113 1 60 LEU H 1 61 VAL H . . 3.500 2.767 2.490 3.106 . 0 0 "[ . 1 . ]" 1 1114 1 60 LEU H 1 63 GLU H 3.900 . 6.000 4.707 4.577 5.016 . 0 0 "[ . 1 . ]" 1 1115 1 60 LEU H 1 74 VAL HA 3.900 . 6.000 6.037 5.382 6.232 0.232 15 0 "[ . 1 . ]" 1 1116 1 60 LEU O 1 64 GLU H 2.100 . 2.600 2.019 1.831 2.481 . 0 0 "[ . 1 . ]" 1 1117 1 60 LEU O 1 64 GLU N 3.100 2.600 3.600 2.946 2.799 3.354 . 0 0 "[ . 1 . ]" 1 1118 1 61 VAL HA 1 61 VAL HB 3.000 2.150 3.850 2.969 2.485 3.041 . 0 0 "[ . 1 . ]" 1 1119 1 61 VAL HA 1 61 VAL MG1 3.000 2.150 3.850 2.618 2.445 3.264 . 0 0 "[ . 1 . ]" 1 1120 1 61 VAL HA 1 61 VAL MG2 3.000 2.150 3.850 2.309 2.217 2.371 . 0 0 "[ . 1 . ]" 1 1121 1 61 VAL H 1 61 VAL HA 3.000 2.150 3.850 2.878 2.828 2.921 . 0 0 "[ . 1 . ]" 1 1122 1 61 VAL HA 1 62 LYS H 3.900 . 6.000 3.555 3.507 3.580 . 0 0 "[ . 1 . ]" 1 1123 1 61 VAL HA 1 63 GLU H 3.900 . 6.000 4.614 4.323 4.903 . 0 0 "[ . 1 . ]" 1 1124 1 61 VAL HA 1 64 GLU H 3.900 . 6.000 3.777 3.279 3.986 . 0 0 "[ . 1 . ]" 1 1125 1 61 VAL HA 1 65 ALA H 3.900 . 6.000 4.412 4.009 4.795 . 0 0 "[ . 1 . ]" 1 1126 1 61 VAL HB 1 61 VAL MG1 3.000 2.150 3.850 2.137 2.108 2.167 0.042 17 0 "[ . 1 . ]" 1 1127 1 61 VAL HB 1 61 VAL MG2 2.150 . 2.900 2.150 2.123 2.162 . 0 0 "[ . 1 . ]" 1 1128 1 61 VAL H 1 61 VAL HB 3.000 2.150 3.500 2.454 2.182 2.607 . 0 0 "[ . 1 . ]" 1 1129 1 9 VAL HA 1 61 VAL MG1 3.900 . 6.000 3.625 3.045 4.158 . 0 0 "[ . 1 . ]" 1 1130 1 61 VAL MG1 1 61 VAL MG2 2.150 . 2.900 2.050 2.028 2.093 . 0 0 "[ . 1 . ]" 1 1131 1 61 VAL H 1 61 VAL MG1 3.000 2.150 3.850 3.656 2.363 3.842 . 0 0 "[ . 1 . ]" 1 1132 1 61 VAL H 1 61 VAL MG2 3.000 2.150 3.850 2.516 2.204 3.853 0.003 5 0 "[ . 1 . ]" 1 1133 1 9 VAL HA 1 61 VAL H 3.900 . 6.000 6.138 6.023 6.263 0.263 5 0 "[ . 1 . ]" 1 1134 1 57 GLU HG2 1 61 VAL H 3.900 . 6.000 6.052 5.846 6.105 0.105 19 0 "[ . 1 . ]" 1 1135 1 60 LEU MD1 1 61 VAL H 3.900 . 6.000 4.623 3.278 4.895 . 0 0 "[ . 1 . ]" 1 1136 1 61 VAL H 1 62 LYS H . . 3.500 2.713 2.469 2.931 . 0 0 "[ . 1 . ]" 1 1137 1 61 VAL H 1 64 GLU H 3.900 . 6.000 4.937 4.758 5.253 . 0 0 "[ . 1 . ]" 1 1138 1 61 VAL O 1 65 ALA H 2.100 . 2.600 2.651 2.337 2.807 0.207 2 0 "[ . 1 . ]" 1 1139 1 61 VAL O 1 65 ALA N 3.100 2.600 3.600 3.573 3.290 3.717 0.117 17 0 "[ . 1 . ]" 1 1140 1 62 LYS HA 1 62 LYS HB3 . 2.150 2.900 2.609 2.324 3.024 0.124 13 0 "[ . 1 . ]" 1 1141 1 62 LYS HA 1 62 LYS HB2 3.000 2.150 3.850 2.865 2.489 3.036 . 0 0 "[ . 1 . ]" 1 1142 1 62 LYS HA 1 62 LYS HD2 3.000 2.150 3.850 4.120 3.843 4.306 0.456 3 0 "[ . 1 . ]" 1 1143 1 62 LYS HA 1 62 LYS HG3 3.000 2.150 3.850 2.917 2.080 3.445 0.070 4 0 "[ . 1 . ]" 1 1144 1 62 LYS H 1 62 LYS HA 3.000 2.150 3.850 2.891 2.852 2.929 . 0 0 "[ . 1 . ]" 1 1145 1 62 LYS H 1 62 LYS HB3 3.000 2.150 3.850 3.349 2.468 3.709 . 0 0 "[ . 1 . ]" 1 1146 1 62 LYS H 1 62 LYS HB2 3.000 2.150 3.850 2.553 2.220 2.883 . 0 0 "[ . 1 . ]" 1 1147 1 62 LYS HB3 1 62 LYS HG3 3.000 2.150 3.850 2.937 2.428 3.047 . 0 0 "[ . 1 . ]" 1 1148 1 62 LYS HB2 1 62 LYS HG3 3.000 2.150 3.850 2.570 2.366 3.053 . 0 0 "[ . 1 . ]" 1 1149 1 62 LYS HD2 1 62 LYS HG3 3.000 2.150 3.850 2.818 2.256 3.044 . 0 0 "[ . 1 . ]" 1 1150 1 62 LYS HE2 1 62 LYS HG3 3.900 . 6.000 3.044 2.292 4.322 . 0 0 "[ . 1 . ]" 1 1151 1 60 LEU MD1 1 62 LYS H 3.900 . 6.000 5.096 4.853 5.294 . 0 0 "[ . 1 . ]" 1 1152 1 61 VAL HB 1 62 LYS H 3.900 . 6.000 2.984 2.705 4.060 . 0 0 "[ . 1 . ]" 1 1153 1 61 VAL MG1 1 62 LYS H 3.900 . 6.000 3.337 2.519 3.658 . 0 0 "[ . 1 . ]" 1 1154 1 61 VAL MG2 1 62 LYS H 3.900 . 6.000 4.079 3.989 4.207 . 0 0 "[ . 1 . ]" 1 1155 1 62 LYS H 1 62 LYS HD2 3.900 . 6.000 5.109 4.732 5.922 . 0 0 "[ . 1 . ]" 1 1156 1 62 LYS H 1 62 LYS HE2 3.900 . 6.000 4.498 3.791 6.002 0.002 6 0 "[ . 1 . ]" 1 1157 1 62 LYS H 1 62 LYS HE3 3.900 . 6.000 4.532 3.746 6.033 0.033 5 0 "[ . 1 . ]" 1 1158 1 62 LYS H 1 62 LYS HG2 3.900 . 6.000 3.749 2.871 4.726 . 0 0 "[ . 1 . ]" 1 1159 1 62 LYS H 1 62 LYS HG3 3.900 . 6.000 2.983 2.092 4.503 . 0 0 "[ . 1 . ]" 1 1160 1 62 LYS H 1 63 GLU HG3 3.900 . 6.000 5.729 4.531 6.320 0.320 8 0 "[ . 1 . ]" 1 1161 1 62 LYS H 1 63 GLU H . . 3.500 2.847 2.759 2.963 . 0 0 "[ . 1 . ]" 1 1162 1 62 LYS O 1 66 LYS H 2.100 . 2.600 2.230 1.805 2.607 0.007 7 0 "[ . 1 . ]" 1 1163 1 62 LYS O 1 66 LYS N 3.100 2.600 3.600 3.156 2.800 3.612 0.012 13 0 "[ . 1 . ]" 1 1164 1 63 GLU HA 1 63 GLU HB2 2.150 . 2.900 3.024 2.973 3.049 0.149 3 0 "[ . 1 . ]" 1 1165 1 63 GLU HA 1 63 GLU HG2 3.000 2.150 3.850 2.854 2.306 3.430 . 0 0 "[ . 1 . ]" 1 1166 1 63 GLU H 1 63 GLU HA 3.000 2.150 3.850 2.890 2.820 2.976 . 0 0 "[ . 1 . ]" 1 1167 1 63 GLU HB2 1 63 GLU HG2 2.150 . 2.900 2.642 2.393 3.052 0.152 11 0 "[ . 1 . ]" 1 1168 1 63 GLU H 1 63 GLU HB2 2.150 . 2.900 2.386 2.240 2.632 . 0 0 "[ . 1 . ]" 1 1169 1 60 LEU MD1 1 63 GLU H 3.900 . 6.000 3.487 2.834 4.782 . 0 0 "[ . 1 . ]" 1 1170 1 60 LEU HG 1 63 GLU H 3.900 . 6.000 5.877 5.479 6.278 0.278 17 0 "[ . 1 . ]" 1 1171 1 61 VAL MG2 1 63 GLU H 3.900 . 6.000 5.658 5.472 5.826 . 0 0 "[ . 1 . ]" 1 1172 1 62 LYS HA 1 63 GLU H 3.900 . 6.000 3.639 3.516 3.688 . 0 0 "[ . 1 . ]" 1 1173 1 62 LYS HB2 1 63 GLU H 2.650 . 3.500 2.936 2.291 3.759 0.259 13 0 "[ . 1 . ]" 1 1174 1 62 LYS HE3 1 63 GLU H 3.900 . 6.000 4.905 4.232 6.058 0.058 3 0 "[ . 1 . ]" 1 1175 1 62 LYS HG3 1 63 GLU H 3.900 . 6.000 4.227 3.294 4.953 . 0 0 "[ . 1 . ]" 1 1176 1 63 GLU H 1 63 GLU HB3 2.650 . 3.500 3.574 3.540 3.606 0.106 16 0 "[ . 1 . ]" 1 1177 1 63 GLU H 1 63 GLU HG3 3.900 . 6.000 3.380 2.275 3.952 . 0 0 "[ . 1 . ]" 1 1178 1 63 GLU H 1 64 GLU HG2 3.900 . 6.000 5.327 4.348 6.905 0.905 5 4 "[ * + 1 -*. ]" 1 1179 1 63 GLU H 1 64 GLU H . . 3.500 2.668 2.314 2.899 . 0 0 "[ . 1 . ]" 1 1180 1 63 GLU H 1 66 LYS H 3.900 . 6.000 5.044 4.505 5.467 . 0 0 "[ . 1 . ]" 1 1181 1 63 GLU H 1 74 VAL HA 3.900 . 6.000 6.194 5.346 6.336 0.336 16 0 "[ . 1 . ]" 1 1182 1 64 GLU HA 1 64 GLU HB3 3.000 2.150 3.850 2.615 2.335 3.079 . 0 0 "[ . 1 . ]" 1 1183 1 64 GLU HA 1 64 GLU HB2 3.000 2.150 3.850 2.485 2.209 3.060 . 0 0 "[ . 1 . ]" 1 1184 1 64 GLU HA 1 64 GLU HG3 3.000 2.150 3.850 3.408 2.139 3.854 0.011 13 0 "[ . 1 . ]" 1 1185 1 64 GLU HA 1 64 GLU HG2 3.000 2.150 3.850 3.392 1.996 3.929 0.154 14 0 "[ . 1 . ]" 1 1186 1 64 GLU H 1 64 GLU HA 3.000 2.150 3.850 2.893 2.748 2.969 . 0 0 "[ . 1 . ]" 1 1187 1 64 GLU HB3 1 64 GLU HG3 3.000 2.150 3.850 2.951 2.299 3.058 . 0 0 "[ . 1 . ]" 1 1188 1 64 GLU HB2 1 64 GLU HG3 3.000 2.150 3.850 2.497 2.227 3.016 . 0 0 "[ . 1 . ]" 1 1189 1 64 GLU H 1 64 GLU HG3 3.900 . 6.000 3.485 2.223 4.023 . 0 0 "[ . 1 . ]" 1 1190 1 64 GLU HB3 1 64 GLU HG2 3.000 2.150 3.850 2.478 2.321 2.776 . 0 0 "[ . 1 . ]" 1 1191 1 64 GLU HB2 1 64 GLU HG2 3.000 2.150 3.850 2.957 2.377 3.044 . 0 0 "[ . 1 . ]" 1 1192 1 64 GLU H 1 64 GLU HG2 3.000 2.150 3.850 3.118 2.284 4.460 0.610 5 3 "[ + 1 * . -]" 1 1193 1 60 LEU MD1 1 64 GLU H 3.900 . 6.000 3.495 2.483 4.097 . 0 0 "[ . 1 . ]" 1 1194 1 60 LEU HG 1 64 GLU H 3.900 . 6.000 5.898 5.224 6.142 0.142 1 0 "[ . 1 . ]" 1 1195 1 61 VAL MG1 1 64 GLU H 3.900 . 6.000 5.175 4.741 5.542 . 0 0 "[ . 1 . ]" 1 1196 1 61 VAL MG2 1 64 GLU H 3.900 . 6.000 5.377 4.961 5.634 . 0 0 "[ . 1 . ]" 1 1197 1 62 LYS HB2 1 64 GLU H 3.900 . 6.000 5.224 4.789 6.017 0.017 6 0 "[ . 1 . ]" 1 1198 1 62 LYS HG3 1 64 GLU H 3.900 . 6.000 6.039 5.322 6.162 0.162 12 0 "[ . 1 . ]" 1 1199 1 63 GLU HA 1 64 GLU H 3.900 . 6.000 3.488 3.277 3.598 . 0 0 "[ . 1 . ]" 1 1200 1 64 GLU H 1 64 GLU HB3 3.900 . 6.000 2.723 2.017 3.701 . 0 0 "[ . 1 . ]" 1 1201 1 64 GLU H 1 64 GLU HB2 2.650 . 3.500 3.155 2.294 3.681 0.181 4 0 "[ . 1 . ]" 1 1202 1 64 GLU H 1 65 ALA HA 3.900 . 6.000 5.323 5.087 5.561 . 0 0 "[ . 1 . ]" 1 1203 1 64 GLU H 1 65 ALA H . . 3.500 2.724 2.370 3.202 . 0 0 "[ . 1 . ]" 1 1204 1 65 ALA HA 1 65 ALA MB 2.150 . 2.900 2.134 2.116 2.159 . 0 0 "[ . 1 . ]" 1 1205 1 65 ALA H 1 65 ALA HA 3.000 2.150 3.850 2.926 2.716 3.026 . 0 0 "[ . 1 . ]" 1 1206 1 65 ALA H 1 65 ALA MB 2.150 . 2.900 2.225 2.147 2.405 . 0 0 "[ . 1 . ]" 1 1207 1 60 LEU MD1 1 65 ALA H 3.900 . 6.000 5.743 4.803 6.219 0.219 9 0 "[ . 1 . ]" 1 1208 1 61 VAL MG1 1 65 ALA H 3.900 . 6.000 4.778 4.339 5.516 . 0 0 "[ . 1 . ]" 1 1209 1 62 LYS H 1 65 ALA H 3.900 . 6.000 5.170 5.000 5.375 . 0 0 "[ . 1 . ]" 1 1210 1 64 GLU HA 1 65 ALA H 3.900 . 6.000 3.570 3.441 3.652 . 0 0 "[ . 1 . ]" 1 1211 1 64 GLU HB3 1 65 ALA H 3.900 . 6.000 3.612 2.021 4.222 . 0 0 "[ . 1 . ]" 1 1212 1 64 GLU HB2 1 65 ALA H 3.900 . 6.000 3.695 2.417 4.329 . 0 0 "[ . 1 . ]" 1 1213 1 64 GLU HG3 1 65 ALA H 3.900 . 6.000 3.284 1.799 5.453 0.001 1 0 "[ . 1 . ]" 1 1214 1 64 GLU HG2 1 65 ALA H 3.900 . 6.000 3.494 2.315 5.119 . 0 0 "[ . 1 . ]" 1 1215 1 65 ALA H 1 66 LYS HA 3.900 . 6.000 5.215 4.925 5.632 . 0 0 "[ . 1 . ]" 1 1216 1 65 ALA H 1 66 LYS HB3 3.900 . 6.000 5.544 4.428 6.172 0.172 13 0 "[ . 1 . ]" 1 1217 1 65 ALA H 1 66 LYS HB2 3.900 . 6.000 4.432 3.681 6.047 0.047 7 0 "[ . 1 . ]" 1 1218 1 65 ALA H 1 66 LYS H 2.650 . 3.500 2.545 2.211 3.125 . 0 0 "[ . 1 . ]" 1 1219 1 65 ALA H 1 69 ARG QG 3.900 . 6.000 4.430 3.635 5.100 . 0 0 "[ . 1 . ]" 1 1220 1 66 LYS HA 1 66 LYS HB3 3.000 2.150 3.850 2.711 2.367 3.084 . 0 0 "[ . 1 . ]" 1 1221 1 66 LYS HA 1 66 LYS HB2 3.000 2.150 3.850 2.884 2.143 3.036 0.007 7 0 "[ . 1 . ]" 1 1222 1 66 LYS HA 1 66 LYS HD2 . 2.150 2.900 2.311 2.072 3.400 0.500 7 0 "[ . 1 . ]" 1 1223 1 66 LYS HA 1 66 LYS HE3 3.900 . 6.000 3.416 2.117 5.181 . 0 0 "[ . 1 . ]" 1 1224 1 66 LYS HA 1 66 LYS HE2 3.900 . 6.000 4.409 3.598 5.910 . 0 0 "[ . 1 . ]" 1 1225 1 66 LYS HA 1 66 LYS QG . 2.150 2.900 2.806 2.360 3.340 0.440 7 0 "[ . 1 . ]" 1 1226 1 66 LYS H 1 66 LYS HA 3.000 2.150 3.850 2.871 2.786 2.984 . 0 0 "[ . 1 . ]" 1 1227 1 66 LYS HB3 1 66 LYS HD2 3.000 2.150 3.850 3.485 2.627 3.887 0.037 11 0 "[ . 1 . ]" 1 1228 1 66 LYS HB3 1 66 LYS QG 2.150 2.150 2.900 2.178 2.076 2.335 0.074 18 0 "[ . 1 . ]" 1 1229 1 66 LYS H 1 66 LYS HB3 3.000 2.150 3.500 3.182 2.137 3.586 0.086 2 0 "[ . 1 . ]" 1 1230 1 66 LYS HB2 1 66 LYS HD2 3.150 2.400 3.900 3.384 2.361 3.893 0.039 4 0 "[ . 1 . ]" 1 1231 1 66 LYS HB2 1 66 LYS QG 2.150 2.150 2.900 2.209 2.117 2.403 0.033 1 0 "[ . 1 . ]" 1 1232 1 66 LYS H 1 66 LYS HB2 3.000 2.150 3.500 2.261 1.854 3.729 0.296 14 0 "[ . 1 . ]" 1 1233 1 66 LYS HD2 1 66 LYS HE3 3.000 2.150 3.850 2.581 2.474 3.049 . 0 0 "[ . 1 . ]" 1 1234 1 66 LYS H 1 66 LYS HD2 3.000 2.150 3.850 3.828 3.283 4.093 0.243 5 0 "[ . 1 . ]" 1 1235 1 66 LYS HD2 1 66 LYS QG 2.150 . 2.900 2.379 2.213 2.526 . 0 0 "[ . 1 . ]" 1 1236 1 66 LYS HE3 1 66 LYS QG 3.000 2.150 3.850 2.583 2.192 2.862 . 0 0 "[ . 1 . ]" 1 1237 1 66 LYS HE2 1 66 LYS QG . 2.150 2.900 2.501 2.253 3.325 0.425 8 0 "[ . 1 . ]" 1 1238 1 66 LYS H 1 66 LYS QG 3.000 2.150 3.850 3.013 2.015 3.733 0.135 8 0 "[ . 1 . ]" 1 1239 1 2 SER HA 1 66 LYS H 3.900 . 6.000 5.976 4.794 6.183 0.183 11 0 "[ . 1 . ]" 1 1240 1 64 GLU HB3 1 66 LYS H 3.900 . 6.000 5.588 4.670 6.167 0.167 4 0 "[ . 1 . ]" 1 1241 1 64 GLU HB2 1 66 LYS H 3.900 . 6.000 5.637 4.730 6.152 0.152 2 0 "[ . 1 . ]" 1 1242 1 64 GLU HG2 1 66 LYS H 3.900 . 6.000 5.571 4.746 6.946 0.946 3 2 "[ + . 1 . - ]" 1 1243 1 65 ALA HA 1 66 LYS H 3.900 . 6.000 3.451 3.243 3.588 . 0 0 "[ . 1 . ]" 1 1244 1 66 LYS H 1 66 LYS HE3 3.900 . 6.000 5.045 3.996 5.958 . 0 0 "[ . 1 . ]" 1 1245 1 66 LYS H 1 66 LYS HE2 3.900 . 6.000 5.565 4.399 6.045 0.045 10 0 "[ . 1 . ]" 1 1246 1 66 LYS H 1 67 GLU HA 3.900 . 6.000 5.118 4.710 5.482 . 0 0 "[ . 1 . ]" 1 1247 1 66 LYS H 1 67 GLU H 3.900 . 4.750 2.840 2.145 3.270 . 0 0 "[ . 1 . ]" 1 1248 1 66 LYS HA 1 67 GLU HA 3.900 . 6.000 4.595 4.206 5.062 . 0 0 "[ . 1 . ]" 1 1249 1 66 LYS QG 1 67 GLU HA 3.900 . 6.000 5.125 2.870 5.751 . 0 0 "[ . 1 . ]" 1 1250 1 67 GLU HA 1 67 GLU HB3 3.000 2.150 3.850 2.822 2.224 3.102 . 0 0 "[ . 1 . ]" 1 1251 1 67 GLU HA 1 67 GLU HB2 3.000 2.150 3.850 2.664 2.217 3.109 . 0 0 "[ . 1 . ]" 1 1252 1 67 GLU HA 1 67 GLU QG 3.000 2.150 3.850 3.110 2.423 3.473 . 0 0 "[ . 1 . ]" 1 1253 1 67 GLU H 1 67 GLU HA 3.000 2.150 3.850 2.786 2.547 2.959 . 0 0 "[ . 1 . ]" 1 1254 1 67 GLU HA 1 68 PRO HB3 3.000 2.150 3.850 4.261 4.020 4.708 0.858 19 4 "[ . * *- . +]" 1 1255 1 67 GLU HA 1 68 PRO HB2 4.200 3.350 5.050 5.407 4.756 5.630 0.580 8 5 "[ . + ** - *]" 1 1256 1 67 GLU HA 1 68 PRO HD3 3.900 . 6.000 3.278 2.075 4.253 . 0 0 "[ . 1 . ]" 1 1257 1 67 GLU HA 1 68 PRO HD2 3.900 . 6.000 3.756 2.764 4.568 . 0 0 "[ . 1 . ]" 1 1258 1 67 GLU HA 1 69 ARG QB 3.900 . 6.000 5.567 4.719 5.977 . 0 0 "[ . 1 . ]" 1 1259 1 67 GLU HA 1 69 ARG H . 3.200 3.850 3.792 3.559 4.026 0.176 14 0 "[ . 1 . ]" 1 1260 1 67 GLU HB3 1 67 GLU QG . 2.150 2.900 2.186 2.027 2.419 0.123 10 0 "[ . 1 . ]" 1 1261 1 67 GLU H 1 67 GLU HB3 3.000 2.150 3.500 2.595 1.865 3.474 0.285 19 0 "[ . 1 . ]" 1 1262 1 67 GLU HB3 1 68 PRO HA 3.000 2.150 3.850 4.028 3.300 4.363 0.513 6 1 "[ .+ 1 . ]" 1 1263 1 67 GLU HB3 1 69 ARG H 3.000 2.150 3.850 2.797 1.981 4.042 0.192 3 0 "[ . 1 . ]" 1 1264 1 67 GLU HB2 1 67 GLU QG 2.150 . 2.900 2.226 2.030 2.549 . 0 0 "[ . 1 . ]" 1 1265 1 67 GLU H 1 67 GLU HB2 2.150 . 2.900 2.691 2.165 3.244 0.344 6 0 "[ . 1 . ]" 1 1266 1 67 GLU HB2 1 68 PRO HA 4.200 3.350 5.050 4.685 2.901 5.231 0.449 15 0 "[ . 1 . ]" 1 1267 1 67 GLU HB2 1 69 ARG H 3.000 2.150 3.850 3.698 2.081 4.075 0.225 6 0 "[ . 1 . ]" 1 1268 1 67 GLU H 1 67 GLU QG 3.000 2.150 3.850 3.430 1.783 3.849 0.367 15 0 "[ . 1 . ]" 1 1269 1 64 GLU H 1 67 GLU H 3.900 . 6.000 5.499 4.937 6.144 0.144 1 0 "[ . 1 . ]" 1 1270 1 66 LYS HA 1 67 GLU H 2.650 . 3.500 3.417 2.993 3.573 0.073 15 0 "[ . 1 . ]" 1 1271 1 66 LYS HB2 1 67 GLU H 3.900 . 6.000 3.407 1.975 4.514 . 0 0 "[ . 1 . ]" 1 1272 1 66 LYS QG 1 67 GLU H 3.900 . 6.000 4.373 3.163 4.927 . 0 0 "[ . 1 . ]" 1 1273 1 67 GLU H 1 68 PRO HD3 3.900 . 6.000 5.290 4.689 5.801 . 0 0 "[ . 1 . ]" 1 1274 1 67 GLU H 1 70 ASN H 3.900 . 6.000 5.335 4.400 6.145 0.145 14 0 "[ . 1 . ]" 1 1275 1 67 GLU HA 1 68 PRO HA 3.000 2.150 3.850 3.353 2.831 3.813 . 0 0 "[ . 1 . ]" 1 1276 1 67 GLU QG 1 68 PRO HA 3.650 . 5.750 4.454 2.681 5.592 . 0 0 "[ . 1 . ]" 1 1277 1 68 PRO HA 1 68 PRO HB3 3.000 2.150 3.850 2.266 2.099 2.438 0.051 3 0 "[ . 1 . ]" 1 1278 1 68 PRO HA 1 68 PRO HD3 3.900 . 6.000 3.508 3.192 3.689 . 0 0 "[ . 1 . ]" 1 1279 1 68 PRO HA 1 68 PRO HD2 3.900 . 6.000 3.897 3.627 3.971 . 0 0 "[ . 1 . ]" 1 1280 1 68 PRO HA 1 68 PRO QG 3.000 2.150 3.850 3.333 2.318 3.428 . 0 0 "[ . 1 . ]" 1 1281 1 68 PRO HA 1 69 ARG HA 3.900 . 6.000 4.280 3.604 4.854 . 0 0 "[ . 1 . ]" 1 1282 1 68 PRO HA 1 69 ARG QB 3.000 2.150 3.850 3.323 2.198 3.965 0.115 14 0 "[ . 1 . ]" 1 1283 1 68 PRO HA 1 69 ARG QG 3.900 . 6.000 4.721 3.875 5.464 . 0 0 "[ . 1 . ]" 1 1284 1 68 PRO HA 1 70 ASN HA 3.900 . 6.000 6.503 6.250 8.347 2.347 4 5 "[* +. -* .* ]" 1 1285 1 68 PRO HB3 1 68 PRO HD3 3.900 . 6.000 2.620 2.401 4.021 . 0 0 "[ . 1 . ]" 1 1286 1 68 PRO HB3 1 68 PRO HD2 . 2.150 3.850 3.618 3.565 3.812 . 0 0 "[ . 1 . ]" 1 1287 1 68 PRO HB3 1 69 ARG QB 3.900 . 6.000 4.824 3.131 5.719 . 0 0 "[ . 1 . ]" 1 1288 1 68 PRO HB3 1 69 ARG H 3.650 2.800 4.500 4.170 3.412 4.406 . 0 0 "[ . 1 . ]" 1 1289 1 68 PRO HB2 1 68 PRO HD3 3.000 2.150 3.850 3.771 3.640 3.878 0.028 3 0 "[ . 1 . ]" 1 1290 1 68 PRO HB2 1 68 PRO HD2 3.000 2.150 3.850 4.028 2.869 4.154 0.304 17 0 "[ . 1 . ]" 1 1291 1 68 PRO HB2 1 68 PRO QG 3.000 2.150 3.850 2.266 2.213 2.437 . 0 0 "[ . 1 . ]" 1 1292 1 68 PRO HB2 1 69 ARG QB 3.650 2.800 4.500 4.077 2.292 4.959 0.508 19 1 "[ . 1 . +]" 1 1293 1 68 PRO HB2 1 69 ARG H 3.000 2.150 3.850 3.990 3.735 4.205 0.355 6 0 "[ . 1 . ]" 1 1294 1 67 GLU QG 1 68 PRO HD3 3.900 . 6.000 4.452 3.378 5.625 . 0 0 "[ . 1 . ]" 1 1295 1 68 PRO HD3 1 68 PRO QG 3.000 2.150 3.850 2.310 2.175 2.359 . 0 0 "[ . 1 . ]" 1 1296 1 68 PRO HD2 1 68 PRO QG . 2.150 2.900 2.202 2.088 2.340 0.062 14 0 "[ . 1 . ]" 1 1297 1 67 GLU HA 1 68 PRO QG 3.900 . 6.000 4.608 2.426 5.233 . 0 0 "[ . 1 . ]" 1 1298 1 67 GLU QG 1 68 PRO QG 3.900 . 6.000 4.529 4.068 5.543 . 0 0 "[ . 1 . ]" 1 1299 1 68 PRO HB3 1 68 PRO QG 3.000 2.150 3.850 2.376 2.108 2.450 0.042 3 0 "[ . 1 . ]" 1 1300 1 66 LYS H 1 69 ARG HA 3.900 . 6.000 5.762 4.785 6.274 0.274 14 0 "[ . 1 . ]" 1 1301 1 67 GLU HA 1 69 ARG HA 3.900 . 6.000 5.577 4.735 6.170 0.170 19 0 "[ . 1 . ]" 1 1302 1 67 GLU QG 1 69 ARG HA 3.900 . 6.000 3.938 2.085 5.678 . 0 0 "[ . 1 . ]" 1 1303 1 67 GLU H 1 69 ARG HA 3.900 . 6.000 4.223 3.351 5.187 . 0 0 "[ . 1 . ]" 1 1304 1 68 PRO HB3 1 69 ARG HA 3.900 . 6.000 5.978 5.413 6.262 0.262 6 0 "[ . 1 . ]" 1 1305 1 68 PRO HB2 1 69 ARG HA 3.900 . 6.000 5.350 4.390 5.791 . 0 0 "[ . 1 . ]" 1 1306 1 69 ARG HA 1 69 ARG QB 3.000 2.150 3.850 2.397 1.943 2.581 0.207 15 0 "[ . 1 . ]" 1 1307 1 69 ARG HA 1 69 ARG QD . 2.150 3.850 2.625 1.775 3.753 0.375 5 0 "[ . 1 . ]" 1 1308 1 69 ARG HA 1 69 ARG QG 3.000 2.150 3.850 2.486 2.014 3.326 0.136 18 0 "[ . 1 . ]" 1 1309 1 69 ARG HA 1 70 ASN HB3 3.900 . 6.000 4.851 4.171 5.514 . 0 0 "[ . 1 . ]" 1 1310 1 69 ARG HA 1 70 ASN HB2 3.900 . 6.000 5.090 4.748 6.439 0.439 4 0 "[ . 1 . ]" 1 1311 1 69 ARG HA 1 70 ASN H 3.000 2.150 3.500 2.527 2.010 3.410 0.140 5 0 "[ . 1 . ]" 1 1312 1 69 ARG HA 1 72 GLU H 3.900 . 6.000 5.981 5.324 6.141 0.141 2 0 "[ . 1 . ]" 1 1313 1 69 ARG HA 1 73 LYS H 3.900 . 6.000 5.875 4.910 7.348 1.348 4 1 "[ +. 1 . ]" 1 1314 1 69 ARG QB 1 69 ARG QD 3.000 2.150 3.850 2.209 1.839 2.625 0.311 8 0 "[ . 1 . ]" 1 1315 1 69 ARG QB 1 69 ARG QG 2.150 2.150 2.900 1.969 1.863 2.037 0.287 4 0 "[ . 1 . ]" 1 1316 1 69 ARG H 1 69 ARG QB 3.000 2.150 3.500 2.384 2.077 2.690 0.073 19 0 "[ . 1 . ]" 1 1317 1 69 ARG QB 1 70 ASN H 3.900 . 6.000 3.791 2.046 4.039 . 0 0 "[ . 1 . ]" 1 1318 1 64 GLU HA 1 69 ARG QD 3.900 . 6.000 4.289 2.743 5.420 . 0 0 "[ . 1 . ]" 1 1319 1 69 ARG QD 1 69 ARG QG . 2.150 2.900 2.086 2.034 2.115 0.116 10 0 "[ . 1 . ]" 1 1320 1 69 ARG H 1 69 ARG QD 3.900 . 6.000 3.807 3.072 4.659 . 0 0 "[ . 1 . ]" 1 1321 1 69 ARG QD 1 70 ASN H 3.900 . 6.000 3.538 2.337 4.257 . 0 0 "[ . 1 . ]" 1 1322 1 67 GLU QG 1 69 ARG QD 3.900 . 6.000 5.222 4.424 5.693 . 0 0 "[ . 1 . ]" 1 1323 1 68 PRO QG 1 69 ARG QD 3.900 . 6.000 4.958 3.535 6.370 0.370 11 0 "[ . 1 . ]" 1 1324 1 69 ARG QD 1 70 ASN HB3 3.900 . 6.000 5.457 4.800 6.072 0.072 10 0 "[ . 1 . ]" 1 1325 1 69 ARG QD 1 71 GLU HB2 3.900 . 6.000 3.667 2.397 6.814 0.814 4 1 "[ +. 1 . ]" 1 1326 1 69 ARG H 1 69 ARG QG . 3.150 3.850 3.357 2.540 3.940 0.610 1 3 "[+ - 1 *. ]" 1 1327 1 66 LYS H 1 69 ARG QG 3.900 . 6.000 5.072 4.328 5.587 . 0 0 "[ . 1 . ]" 1 1328 1 69 ARG QG 1 70 ASN H 3.900 . 6.000 4.290 3.654 4.680 . 0 0 "[ . 1 . ]" 1 1329 1 66 LYS H 1 69 ARG H 3.900 . 6.000 4.886 4.147 5.531 . 0 0 "[ . 1 . ]" 1 1330 1 67 GLU QG 1 69 ARG H 3.900 . 6.000 3.511 1.757 5.125 0.043 15 0 "[ . 1 . ]" 1 1331 1 68 PRO HA 1 69 ARG H 2.650 . 3.500 2.250 1.674 2.860 0.126 3 0 "[ . 1 . ]" 1 1332 1 68 PRO HD3 1 69 ARG H 3.900 . 6.000 4.733 4.015 5.466 . 0 0 "[ . 1 . ]" 1 1333 1 68 PRO HD2 1 69 ARG H 3.900 . 6.000 4.309 3.039 5.161 . 0 0 "[ . 1 . ]" 1 1334 1 68 PRO QG 1 69 ARG H 3.900 . 6.000 3.929 2.985 4.544 . 0 0 "[ . 1 . ]" 1 1335 1 69 ARG H 1 70 ASN HA 3.900 . 6.000 5.513 5.190 7.230 1.230 4 1 "[ +. 1 . ]" 1 1336 1 69 ARG H 1 70 ASN HB3 3.900 . 6.000 5.463 4.641 6.892 0.892 4 1 "[ +. 1 . ]" 1 1337 1 69 ARG H 1 70 ASN H 3.900 . 4.750 3.064 2.645 3.559 . 0 0 "[ . 1 . ]" 1 1338 1 69 ARG HA 1 70 ASN HA 3.900 . 6.000 4.511 4.167 5.500 . 0 0 "[ . 1 . ]" 1 1339 1 69 ARG QB 1 70 ASN HA 3.900 . 6.000 4.816 3.369 5.842 . 0 0 "[ . 1 . ]" 1 1340 1 70 ASN HA 1 71 GLU HB2 3.900 . 6.000 3.936 3.700 4.198 . 0 0 "[ . 1 . ]" 1 1341 1 70 ASN HA 1 71 GLU HG3 3.900 . 6.000 5.970 3.623 6.181 0.181 9 0 "[ . 1 . ]" 1 1342 1 70 ASN HA 1 72 GLU H 3.900 3.200 5.600 4.146 3.501 4.645 . 0 0 "[ . 1 . ]" 1 1343 1 70 ASN H 1 70 ASN HB3 3.900 . 6.000 2.693 2.221 3.921 . 0 0 "[ . 1 . ]" 1 1344 1 70 ASN HB3 1 73 LYS H 3.900 . 6.000 4.442 3.909 6.039 0.039 4 0 "[ . 1 . ]" 1 1345 1 70 ASN H 1 70 ASN HB2 3.900 . 6.000 2.834 2.207 5.396 . 0 0 "[ . 1 . ]" 1 1346 1 67 GLU HB3 1 70 ASN H 3.900 . 6.000 3.975 1.882 5.902 . 0 0 "[ . 1 . ]" 1 1347 1 67 GLU QG 1 70 ASN H 3.900 . 6.000 3.591 1.510 5.523 0.290 12 0 "[ . 1 . ]" 1 1348 1 68 PRO HB3 1 70 ASN H 3.900 . 6.000 5.480 4.750 6.024 0.024 6 0 "[ . 1 . ]" 1 1349 1 68 PRO HB2 1 70 ASN H 3.900 . 6.000 4.729 3.670 5.952 . 0 0 "[ . 1 . ]" 1 1350 1 68 PRO QG 1 70 ASN H 3.900 . 6.000 3.612 1.940 5.534 . 0 0 "[ . 1 . ]" 1 1351 1 69 ARG HE 1 70 ASN H 3.900 . 6.000 5.982 4.556 6.210 0.210 5 0 "[ . 1 . ]" 1 1352 1 70 ASN H 1 70 ASN HD21 3.900 . 6.000 4.861 4.433 5.537 . 0 0 "[ . 1 . ]" 1 1353 1 70 ASN H 1 70 ASN HD22 3.900 . 6.000 5.834 5.110 6.070 0.070 15 0 "[ . 1 . ]" 1 1354 1 70 ASN H 1 71 GLU HA 3.900 . 6.000 4.889 4.453 5.522 . 0 0 "[ . 1 . ]" 1 1355 1 70 ASN H 1 71 GLU HB2 3.900 . 6.000 5.296 4.488 8.228 2.228 4 1 "[ +. 1 . ]" 1 1356 1 70 ASN H 1 73 LYS H 3.900 2.700 6.000 5.357 4.338 8.155 2.155 4 1 "[ +. 1 . ]" 1 1357 1 70 ASN H 1 74 VAL QG 3.900 . 6.000 5.260 3.905 5.993 . 0 0 "[ . 1 . ]" 1 1358 1 71 GLU HA 1 71 GLU HB2 . 2.150 2.900 2.562 2.432 3.936 1.036 4 1 "[ +. 1 . ]" 1 1359 1 71 GLU HA 1 71 GLU HG2 2.150 . 2.900 2.847 2.336 2.970 0.070 16 0 "[ . 1 . ]" 1 1360 1 71 GLU HA 1 71 GLU HG3 2.150 . 2.900 2.329 2.162 2.878 . 0 0 "[ . 1 . ]" 1 1361 1 71 GLU HB2 1 71 GLU HG2 2.150 . 2.900 2.926 2.067 2.983 0.083 18 0 "[ . 1 . ]" 1 1362 1 71 GLU HB2 1 71 GLU HG3 2.150 . 2.900 2.425 2.263 3.468 0.568 4 1 "[ +. 1 . ]" 1 1363 1 71 GLU O 1 75 LYS H 2.100 . 2.600 2.436 1.981 2.682 0.082 15 0 "[ . 1 . ]" 1 1364 1 71 GLU O 1 75 LYS N 3.100 2.600 3.600 3.385 2.979 3.645 0.045 19 0 "[ . 1 . ]" 1 1365 1 72 GLU HA 1 72 GLU QB 2.150 . 2.900 2.427 2.405 2.456 . 0 0 "[ . 1 . ]" 1 1366 1 72 GLU HA 1 72 GLU QG 2.150 . 2.900 2.474 2.284 4.452 1.552 4 1 "[ +. 1 . ]" 1 1367 1 72 GLU H 1 72 GLU HA 2.150 . 2.900 2.874 2.800 2.950 0.050 12 0 "[ . 1 . ]" 1 1368 1 72 GLU H 1 72 GLU QB 2.150 . 2.900 2.277 2.200 2.337 . 0 0 "[ . 1 . ]" 1 1369 1 72 GLU H 1 72 GLU QG 2.150 . 2.900 2.581 2.251 5.716 2.816 4 1 "[ +. 1 . ]" 1 1370 1 70 ASN HB3 1 72 GLU H 3.900 . 6.000 3.814 1.793 4.682 0.007 4 0 "[ . 1 . ]" 1 1371 1 70 ASN HB2 1 72 GLU H 3.900 . 6.000 4.845 0.996 5.313 0.804 4 1 "[ +. 1 . ]" 1 1372 1 71 GLU HA 1 72 GLU H 3.900 . 6.000 3.456 3.198 3.543 . 0 0 "[ . 1 . ]" 1 1373 1 71 GLU HG2 1 72 GLU H 3.900 . 6.000 4.402 4.051 5.034 . 0 0 "[ . 1 . ]" 1 1374 1 72 GLU H 1 73 LYS QB 3.900 . 6.000 4.890 4.035 5.231 . 0 0 "[ . 1 . ]" 1 1375 1 72 GLU H 1 73 LYS QE 3.900 . 6.000 5.161 3.488 5.651 . 0 0 "[ . 1 . ]" 1 1376 1 72 GLU H 1 73 LYS QG 3.900 . 6.000 4.206 3.369 5.385 . 0 0 "[ . 1 . ]" 1 1377 1 72 GLU H 1 73 LYS H . . 3.500 2.759 2.272 4.982 1.482 4 1 "[ +. 1 . ]" 1 1378 1 72 GLU H 1 75 LYS H . 3.950 5.650 5.151 4.529 8.776 3.126 4 1 "[ +. 1 . ]" 1 1379 1 72 GLU O 1 76 GLN H 2.100 . 2.600 1.988 1.851 2.372 . 0 0 "[ . 1 . ]" 1 1380 1 72 GLU O 1 76 GLN N 3.100 2.600 3.600 2.948 2.825 3.281 . 0 0 "[ . 1 . ]" 1 1381 1 73 LYS HA 1 73 LYS QB 2.150 2.150 2.900 2.455 2.221 5.231 2.331 4 1 "[ +. 1 . ]" 1 1382 1 73 LYS HA 1 73 LYS QD 2.150 2.150 2.900 2.740 2.012 2.999 0.138 9 0 "[ . 1 . ]" 1 1383 1 73 LYS HA 1 73 LYS QE 3.000 2.150 3.850 2.472 1.791 6.994 3.144 4 1 "[ +. 1 . ]" 1 1384 1 73 LYS HA 1 73 LYS QG 2.150 2.150 2.900 3.089 2.213 3.275 0.375 4 0 "[ . 1 . ]" 1 1385 1 73 LYS H 1 73 LYS HA 3.000 2.150 3.850 2.880 2.783 2.944 . 0 0 "[ . 1 . ]" 1 1386 1 73 LYS QB 1 73 LYS QE 3.000 2.150 3.850 2.690 2.227 3.450 . 0 0 "[ . 1 . ]" 1 1387 1 73 LYS QB 1 73 LYS QG . 2.150 2.900 1.955 1.926 1.984 0.224 3 0 "[ . 1 . ]" 1 1388 1 73 LYS H 1 73 LYS QB 3.000 2.150 3.850 2.715 2.127 4.996 1.146 4 1 "[ +. 1 . ]" 1 1389 1 73 LYS QB 1 75 LYS QD 3.900 . 6.000 7.537 6.982 8.216 2.216 17 19 [****************+*-] 1 1390 1 73 LYS QB 1 73 LYS QD . 2.400 2.900 2.948 2.479 3.546 0.646 4 1 "[ +. 1 . ]" 1 1391 1 73 LYS QD 1 73 LYS QE 2.150 . 2.900 2.116 1.982 3.931 1.031 4 1 "[ +. 1 . ]" 1 1392 1 73 LYS QD 1 73 LYS QG 2.150 2.150 2.900 1.986 1.951 2.112 0.199 11 0 "[ . 1 . ]" 1 1393 1 73 LYS H 1 73 LYS QD 3.000 2.150 3.850 2.660 2.151 2.906 . 0 0 "[ . 1 . ]" 1 1394 1 73 LYS QE 1 73 LYS QG 3.000 2.150 3.850 2.790 1.759 3.904 0.391 3 0 "[ . 1 . ]" 1 1395 1 73 LYS H 1 73 LYS QG 3.000 2.150 3.850 2.402 1.949 3.508 0.201 13 0 "[ . 1 . ]" 1 1396 1 70 ASN HB2 1 73 LYS H 3.900 . 6.000 5.821 4.737 6.085 0.085 11 0 "[ . 1 . ]" 1 1397 1 72 GLU QB 1 73 LYS H . . 3.500 2.841 2.304 5.669 2.169 4 1 "[ +. 1 . ]" 1 1398 1 72 GLU QG 1 73 LYS H 3.900 . 6.000 4.266 4.066 4.417 . 0 0 "[ . 1 . ]" 1 1399 1 73 LYS H 1 73 LYS QE 3.900 . 6.000 3.756 2.452 7.089 1.089 4 1 "[ +. 1 . ]" 1 1400 1 73 LYS H 1 74 VAL HA 3.900 . 6.000 5.274 3.907 5.514 . 0 0 "[ . 1 . ]" 1 1401 1 73 LYS H 1 74 VAL QG 3.900 . 6.000 3.482 1.168 3.970 0.632 4 1 "[ +. 1 . ]" 1 1402 1 73 LYS O 1 77 ALA H 2.100 . 2.600 2.458 2.023 2.634 0.034 11 0 "[ . 1 . ]" 1 1403 1 73 LYS O 1 77 ALA N 3.100 2.600 3.600 3.265 2.855 3.476 . 0 0 "[ . 1 . ]" 1 1404 1 74 VAL HA 1 74 VAL HB 3.000 2.150 3.850 2.479 2.187 4.680 0.830 4 1 "[ +. 1 . ]" 1 1405 1 74 VAL HA 1 74 VAL QG . 2.800 2.900 2.374 2.175 3.151 0.625 3 6 "[ + ** 1 .*- *]" 1 1406 1 74 VAL HB 1 74 VAL QG 2.150 2.150 2.900 1.906 1.890 2.064 0.260 8 0 "[ . 1 . ]" 1 1407 1 74 VAL MG1 1 74 VAL MG2 2.150 . 2.900 2.163 2.022 3.913 1.013 4 1 "[ +. 1 . ]" 1 1408 1 74 VAL O 1 78 LYS H 2.100 . 2.600 2.092 1.824 2.461 . 0 0 "[ . 1 . ]" 1 1409 1 74 VAL O 1 78 LYS N 3.100 2.600 3.600 2.999 2.779 3.438 . 0 0 "[ . 1 . ]" 1 1410 1 75 LYS HA 1 75 LYS QB 3.000 2.150 3.850 2.735 2.348 7.539 3.689 4 1 "[ +. 1 . ]" 1 1411 1 75 LYS HA 1 75 LYS QD 3.000 2.150 3.850 2.293 1.926 5.193 1.343 4 1 "[ +. 1 . ]" 1 1412 1 75 LYS HA 1 75 LYS QE 3.900 . 6.000 2.871 2.113 6.774 0.774 4 1 "[ +. 1 . ]" 1 1413 1 75 LYS HA 1 75 LYS QG 3.000 2.150 3.850 3.012 2.227 6.626 2.776 4 1 "[ +. 1 . ]" 1 1414 1 75 LYS H 1 75 LYS HA 3.000 2.150 3.850 2.884 2.826 2.972 . 0 0 "[ . 1 . ]" 1 1415 1 74 VAL HA 1 75 LYS H 3.900 . 6.000 3.665 3.531 4.938 . 0 0 "[ . 1 . ]" 1 1416 1 74 VAL QG 1 75 LYS H 3.900 . 6.000 2.283 2.025 3.036 . 0 0 "[ . 1 . ]" 1 1417 1 75 LYS H 1 75 LYS QB 2.650 . 3.500 2.441 2.037 5.498 1.998 4 1 "[ +. 1 . ]" 1 1418 1 75 LYS H 1 75 LYS QD 3.900 . 6.000 3.723 3.260 4.535 . 0 0 "[ . 1 . ]" 1 1419 1 75 LYS H 1 75 LYS QE 3.900 . 6.000 4.514 3.684 5.488 . 0 0 "[ . 1 . ]" 1 1420 1 75 LYS H 1 75 LYS QG . . 3.500 2.601 2.239 4.291 0.791 4 1 "[ +. 1 . ]" 1 1421 1 75 LYS H 1 78 LYS H . 3.950 5.650 4.657 4.332 4.971 . 0 0 "[ . 1 . ]" 1 1422 1 75 LYS O 1 79 ALA H 2.100 . 2.600 2.134 1.916 2.642 0.042 8 0 "[ . 1 . ]" 1 1423 1 75 LYS O 1 79 ALA N 3.100 2.600 3.600 3.076 2.834 3.606 0.006 8 0 "[ . 1 . ]" 1 1424 1 73 LYS H 1 76 GLN H 3.900 . 6.000 4.686 4.505 4.974 . 0 0 "[ . 1 . ]" 1 1425 1 76 GLN H 1 76 GLN HA 2.650 . 3.500 3.028 2.806 6.528 3.028 4 1 "[ +. 1 . ]" 1 1426 1 76 GLN H 1 76 GLN QB 2.650 . 3.500 2.430 2.131 6.647 3.147 4 1 "[ +. 1 . ]" 1 1427 1 76 GLN H 1 76 GLN QG 3.900 . 6.000 3.956 3.912 4.017 . 0 0 "[ . 1 . ]" 1 1428 1 76 GLN H 1 77 ALA H . . 3.500 2.824 2.659 2.952 . 0 0 "[ . 1 . ]" 1 1429 1 76 GLN O 1 80 GLU H 2.100 . 2.600 2.594 2.139 2.722 0.122 7 0 "[ . 1 . ]" 1 1430 1 76 GLN O 1 80 GLU N 3.100 2.600 3.600 3.444 3.064 3.643 0.043 18 0 "[ . 1 . ]" 1 1431 1 60 LEU HB3 1 77 ALA MB 3.900 . 6.000 3.534 2.458 4.307 . 0 0 "[ . 1 . ]" 1 1432 1 60 LEU HB2 1 77 ALA MB 3.900 . 6.000 3.321 1.995 4.477 . 0 0 "[ . 1 . ]" 1 1433 1 60 LEU HB3 1 77 ALA H 3.900 . 6.000 5.657 4.233 6.243 0.243 17 0 "[ . 1 . ]" 1 1434 1 60 LEU MD1 1 77 ALA H 3.900 . 6.000 4.361 3.589 6.273 0.273 4 0 "[ . 1 . ]" 1 1435 1 74 VAL QG 1 77 ALA H 3.900 . 6.000 4.330 3.897 4.661 . 0 0 "[ . 1 . ]" 1 1436 1 75 LYS QB 1 77 ALA H 3.900 . 6.000 4.721 4.336 7.278 1.278 4 1 "[ +. 1 . ]" 1 1437 1 75 LYS QD 1 77 ALA H 3.900 . 6.000 5.728 4.678 6.007 0.007 4 0 "[ . 1 . ]" 1 1438 1 75 LYS QE 1 77 ALA H 3.900 . 6.000 5.908 5.810 7.194 1.194 4 1 "[ +. 1 . ]" 1 1439 1 75 LYS QG 1 77 ALA H 3.900 . 6.000 5.733 5.079 6.981 0.981 4 1 "[ +. 1 . ]" 1 1440 1 76 GLN QB 1 77 ALA H 2.650 . 3.500 3.017 2.466 8.031 4.531 4 1 "[ +. 1 . ]" 1 1441 1 76 GLN QG 1 77 ALA H 3.900 . 6.000 3.593 3.260 3.958 . 0 0 "[ . 1 . ]" 1 1442 1 77 ALA H 1 78 LYS HA 3.900 . 6.000 5.035 3.690 5.325 . 0 0 "[ . 1 . ]" 1 1443 1 77 ALA H 1 78 LYS H . . 3.500 2.537 2.247 4.151 0.651 4 1 "[ +. 1 . ]" 1 1444 1 77 ALA H 1 80 GLU H 3.900 . 6.000 4.912 4.709 5.243 . 0 0 "[ . 1 . ]" 1 1445 1 77 ALA O 1 81 VAL H 2.100 . 2.600 1.953 1.808 2.450 . 0 0 "[ . 1 . ]" 1 1446 1 77 ALA O 1 81 VAL N 3.100 2.600 3.600 2.935 2.808 3.459 . 0 0 "[ . 1 . ]" 1 1447 1 60 LEU HB3 1 78 LYS H 3.900 . 6.000 5.670 4.909 6.065 0.065 6 0 "[ . 1 . ]" 1 1448 1 60 LEU MD1 1 78 LYS H 3.900 . 6.000 5.158 4.324 5.844 . 0 0 "[ . 1 . ]" 1 1449 1 74 VAL QG 1 78 LYS H 3.900 . 6.000 4.315 3.683 5.174 . 0 0 "[ . 1 . ]" 1 1450 1 76 GLN QB 1 78 LYS H 3.900 . 6.000 4.780 4.591 5.051 . 0 0 "[ . 1 . ]" 1 1451 1 76 GLN QG 1 78 LYS H 3.900 . 6.000 5.087 2.668 5.521 . 0 0 "[ . 1 . ]" 1 1452 1 77 ALA HA 1 78 LYS H 3.900 . 6.000 3.563 3.495 3.607 . 0 0 "[ . 1 . ]" 1 1453 1 77 ALA MB 1 78 LYS H 3.900 . 6.000 2.839 2.495 5.485 . 0 0 "[ . 1 . ]" 1 1454 1 78 LYS H 1 78 LYS QB 2.650 . 3.500 2.230 2.189 2.320 . 0 0 "[ . 1 . ]" 1 1455 1 78 LYS H 1 78 LYS QD 3.900 . 6.000 5.030 3.985 9.096 3.096 4 1 "[ +. 1 . ]" 1 1456 1 78 LYS H 1 78 LYS HE2 3.900 . 6.000 4.896 3.551 5.448 . 0 0 "[ . 1 . ]" 1 1457 1 78 LYS H 1 78 LYS HE3 3.900 . 6.000 5.634 4.407 6.064 0.064 18 0 "[ . 1 . ]" 1 1458 1 78 LYS H 1 78 LYS QG 3.900 . 6.000 4.170 3.803 8.780 2.780 4 1 "[ +. 1 . ]" 1 1459 1 78 LYS H 1 79 ALA HA 3.900 . 6.000 5.584 5.259 8.001 2.001 4 1 "[ +. 1 . ]" 1 1460 1 78 LYS H 1 79 ALA H . . 3.500 2.827 2.559 2.950 . 0 0 "[ . 1 . ]" 1 1461 1 78 LYS H 1 81 VAL H 3.900 2.700 6.000 4.929 4.453 8.301 2.301 4 1 "[ +. 1 . ]" 1 1462 1 78 LYS O 1 82 GLU H 2.100 . 2.600 2.159 1.850 6.509 3.909 4 1 "[ +. 1 . ]" 1 1463 1 78 LYS O 1 82 GLU N 3.100 2.600 3.600 3.018 2.725 6.227 2.627 4 1 "[ +. 1 . ]" 1 1464 1 76 GLN QB 1 79 ALA H 3.900 . 6.000 5.163 4.682 5.346 . 0 0 "[ . 1 . ]" 1 1465 1 76 GLN QG 1 79 ALA H 3.900 . 6.000 4.887 2.992 5.262 . 0 0 "[ . 1 . ]" 1 1466 1 76 GLN H 1 79 ALA H 3.900 . 6.000 4.915 4.652 5.291 . 0 0 "[ . 1 . ]" 1 1467 1 78 LYS HA 1 79 ALA H 3.900 . 6.000 3.570 3.547 3.609 . 0 0 "[ . 1 . ]" 1 1468 1 78 LYS QB 1 79 ALA H 3.900 . 6.000 2.754 2.630 3.181 . 0 0 "[ . 1 . ]" 1 1469 1 78 LYS HE2 1 79 ALA H 3.900 . 6.000 4.013 3.425 5.391 . 0 0 "[ . 1 . ]" 1 1470 1 78 LYS QG 1 79 ALA H 3.900 . 6.000 4.569 3.916 9.651 3.651 4 1 "[ +. 1 . ]" 1 1471 1 79 ALA H 1 80 GLU H 2.650 . 3.400 2.963 2.590 6.794 3.394 4 1 "[ +. 1 . ]" 1 1472 1 79 ALA O 1 83 SER H 2.100 . 2.600 2.781 2.025 5.589 2.989 4 1 "[ +. 1 . ]" 1 1473 1 79 ALA O 1 83 SER N 3.100 2.600 3.600 3.502 2.955 5.462 1.862 4 1 "[ +. 1 . ]" 1 1474 1 78 LYS HE2 1 80 GLU H 3.900 . 6.000 5.817 5.467 6.347 0.347 4 0 "[ . 1 . ]" 1 1475 1 79 ALA HA 1 80 GLU H 2.650 . 3.500 3.550 3.518 3.575 0.075 18 0 "[ . 1 . ]" 1 1476 1 79 ALA MB 1 80 GLU H 3.900 . 6.000 2.999 2.526 7.339 1.339 4 1 "[ +. 1 . ]" 1 1477 1 80 GLU H 1 80 GLU HA 2.650 . 3.500 2.935 2.890 2.962 . 0 0 "[ . 1 . ]" 1 1478 1 80 GLU H 1 80 GLU QB 2.650 . 3.500 2.572 2.226 6.028 2.528 4 1 "[ +. 1 . ]" 1 1479 1 80 GLU H 1 80 GLU HG2 3.900 . 6.000 3.944 2.584 4.670 . 0 0 "[ . 1 . ]" 1 1480 1 80 GLU H 1 80 GLU HG3 3.900 . 6.000 3.283 2.207 4.577 . 0 0 "[ . 1 . ]" 1 1481 1 80 GLU H 1 81 VAL HA 3.900 . 6.000 5.246 5.142 5.422 . 0 0 "[ . 1 . ]" 1 1482 1 80 GLU H 1 81 VAL HB 3.900 . 6.000 5.652 1.973 6.223 0.223 7 0 "[ . 1 . ]" 1 1483 1 80 GLU H 1 81 VAL QG 3.900 . 6.000 3.790 2.994 4.339 . 0 0 "[ . 1 . ]" 1 1484 1 80 GLU H 1 81 VAL H . . 3.500 2.624 2.529 2.769 . 0 0 "[ . 1 . ]" 1 1485 1 80 GLU H 1 83 SER H 3.900 2.700 6.000 4.922 4.667 6.125 0.125 4 0 "[ . 1 . ]" 1 1486 1 80 GLU O 1 84 LYS H 2.100 . 2.600 2.435 1.905 6.056 3.456 4 1 "[ +. 1 . ]" 1 1487 1 80 GLU O 1 84 LYS N 3.100 2.600 3.600 3.362 2.884 6.140 2.540 4 1 "[ +. 1 . ]" 1 1488 1 78 LYS QB 1 81 VAL H 3.900 . 6.000 5.102 4.667 7.256 1.256 4 1 "[ +. 1 . ]" 1 1489 1 78 LYS QG 1 81 VAL H 3.900 . 6.000 4.694 4.554 5.089 . 0 0 "[ . 1 . ]" 1 1490 1 79 ALA MB 1 81 VAL H 3.900 . 6.000 5.044 4.561 9.441 3.441 4 1 "[ +. 1 . ]" 1 1491 1 80 GLU HA 1 81 VAL H 3.900 . 6.000 3.633 3.596 3.691 . 0 0 "[ . 1 . ]" 1 1492 1 80 GLU QB 1 81 VAL H 2.650 . 3.500 2.828 2.340 7.590 4.090 4 1 "[ +. 1 . ]" 1 1493 1 81 VAL H 1 81 VAL HB 2.650 . 3.500 3.318 2.299 3.635 0.135 14 0 "[ . 1 . ]" 1 1494 1 81 VAL H 1 81 VAL QG 3.900 . 6.000 2.120 1.919 2.426 . 0 0 "[ . 1 . ]" 1 1495 1 81 VAL H 1 82 GLU HA 3.900 . 6.000 5.364 5.163 5.498 . 0 0 "[ . 1 . ]" 1 1496 1 81 VAL H 1 82 GLU H 2.650 . 3.500 2.900 2.540 6.209 2.709 4 1 "[ +. 1 . ]" 1 1497 1 81 VAL H 1 84 LYS H 3.900 2.700 6.000 5.024 4.665 7.688 1.688 4 1 "[ +. 1 . ]" 1 1498 1 81 VAL O 1 85 LYS H 2.100 . 2.600 1.887 1.799 2.142 . 0 0 "[ . 1 . ]" 1 1499 1 81 VAL O 1 85 LYS N 3.100 2.600 3.600 2.859 2.743 3.082 . 0 0 "[ . 1 . ]" 1 1500 1 78 LYS QB 1 82 GLU H 3.900 . 6.000 5.022 4.923 5.109 . 0 0 "[ . 1 . ]" 1 1501 1 78 LYS QG 1 82 GLU H 3.900 . 6.000 4.217 3.872 7.814 1.814 4 1 "[ +. 1 . ]" 1 1502 1 79 ALA MB 1 82 GLU H 3.900 . 6.000 4.721 4.395 4.883 . 0 0 "[ . 1 . ]" 1 1503 1 80 GLU HG3 1 82 GLU H 3.900 . 6.000 5.854 2.676 6.123 0.123 17 0 "[ . 1 . ]" 1 1504 1 81 VAL HA 1 82 GLU H 3.900 . 6.000 3.781 3.440 8.393 2.393 4 1 "[ +. 1 . ]" 1 1505 1 81 VAL QG 1 82 GLU H 3.900 . 6.000 2.782 2.390 4.206 . 0 0 "[ . 1 . ]" 1 1506 1 82 GLU H 1 82 GLU QB 2.650 . 3.500 2.452 2.202 6.364 2.864 4 1 "[ +. 1 . ]" 1 1507 1 82 GLU H 1 82 GLU QG 3.900 . 6.000 4.209 3.969 8.124 2.124 4 1 "[ +. 1 . ]" 1 1508 1 82 GLU H 1 83 SER H . . 3.500 2.786 2.659 3.014 . 0 0 "[ . 1 . ]" 1 1509 1 82 GLU H 1 85 LYS H 3.900 2.700 6.000 4.966 4.493 9.832 3.832 4 1 "[ +. 1 . ]" 1 1510 1 82 GLU O 1 86 ALA H 2.100 . 2.600 2.116 1.888 2.480 . 0 0 "[ . 1 . ]" 1 1511 1 82 GLU O 1 86 ALA N 3.100 2.600 3.600 3.047 2.875 3.369 . 0 0 "[ . 1 . ]" 1 1512 1 81 VAL QG 1 83 SER H 3.900 . 6.000 4.519 4.281 5.266 . 0 0 "[ . 1 . ]" 1 1513 1 82 GLU QB 1 83 SER H 3.900 . 6.000 3.121 2.594 7.679 1.679 4 1 "[ +. 1 . ]" 1 1514 1 82 GLU QG 1 83 SER H 3.900 . 6.000 4.193 3.663 9.002 3.002 4 1 "[ +. 1 . ]" 1 1515 1 83 SER H 1 83 SER HA 2.650 . 3.500 2.927 2.888 2.959 . 0 0 "[ . 1 . ]" 1 1516 1 83 SER H 1 83 SER HB2 2.650 . 3.500 2.646 2.382 3.649 0.149 4 0 "[ . 1 . ]" 1 1517 1 83 SER H 1 84 LYS QB 3.900 . 6.000 4.689 4.089 8.518 2.518 4 1 "[ +. 1 . ]" 1 1518 1 83 SER H 1 84 LYS QD 3.900 . 6.000 4.859 3.578 5.939 . 0 0 "[ . 1 . ]" 1 1519 1 83 SER H 1 84 LYS QG 3.900 . 6.000 4.648 3.936 7.858 1.858 4 1 "[ +. 1 . ]" 1 1520 1 83 SER H 1 84 LYS H . . 3.500 2.470 2.308 2.620 . 0 0 "[ . 1 . ]" 1 1521 1 83 SER H 1 86 ALA H 3.900 2.700 6.000 4.697 4.588 4.861 . 0 0 "[ . 1 . ]" 1 1522 1 83 SER O 1 87 GLU H 2.100 . 2.600 2.314 1.927 5.981 3.381 4 1 "[ +. 1 . ]" 1 1523 1 83 SER O 1 87 GLU N 3.100 2.600 3.600 3.209 2.938 5.794 2.194 4 1 "[ +. 1 . ]" 1 1524 1 53 VAL MG2 1 84 LYS H 3.900 . 6.000 4.042 3.597 4.561 . 0 0 "[ . 1 . ]" 1 1525 1 81 VAL QG 1 84 LYS H 3.900 . 6.000 4.450 3.907 4.825 . 0 0 "[ . 1 . ]" 1 1526 1 82 GLU QB 1 84 LYS H 3.900 . 6.000 5.033 4.788 7.823 1.823 4 1 "[ +. 1 . ]" 1 1527 1 82 GLU QG 1 84 LYS H 3.900 . 6.000 5.653 5.320 9.007 3.007 4 1 "[ +. 1 . ]" 1 1528 1 83 SER HA 1 84 LYS H 3.900 . 6.000 3.563 3.519 3.587 . 0 0 "[ . 1 . ]" 1 1529 1 83 SER HB3 1 84 LYS H 3.900 . 6.000 3.458 2.442 3.932 . 0 0 "[ . 1 . ]" 1 1530 1 84 LYS H 1 84 LYS QB . . 3.500 2.678 2.186 6.923 3.423 4 1 "[ +. 1 . ]" 1 1531 1 84 LYS H 1 84 LYS QD 3.900 . 6.000 3.191 2.207 4.188 . 0 0 "[ . 1 . ]" 1 1532 1 84 LYS H 1 84 LYS QG 3.900 . 6.000 2.769 2.186 5.943 . 0 0 "[ . 1 . ]" 1 1533 1 84 LYS H 1 85 LYS H . . 3.500 3.094 2.610 9.033 5.533 4 1 "[ +. 1 . ]" 1 1534 1 84 LYS H 1 87 GLU H 3.900 2.700 6.000 4.803 4.601 4.958 . 0 0 "[ . 1 . ]" 1 1535 1 84 LYS O 1 88 ALA H 2.100 . 2.600 1.973 1.861 2.273 . 0 0 "[ . 1 . ]" 1 1536 1 84 LYS O 1 88 ALA N 3.100 2.600 3.600 2.964 2.853 3.245 . 0 0 "[ . 1 . ]" 1 1537 1 53 VAL MG2 1 85 LYS H 3.900 . 6.000 2.642 2.390 3.368 . 0 0 "[ . 1 . ]" 1 1538 1 81 VAL HB 1 85 LYS H 3.900 . 6.000 4.860 3.994 6.964 0.964 4 1 "[ +. 1 . ]" 1 1539 1 81 VAL QG 1 85 LYS H 3.900 . 6.000 4.340 3.644 5.203 . 0 0 "[ . 1 . ]" 1 1540 1 82 GLU QB 1 85 LYS H 3.900 . 6.000 5.077 4.800 5.303 . 0 0 "[ . 1 . ]" 1 1541 1 84 LYS HA 1 85 LYS H 3.900 . 6.000 3.834 3.535 8.557 2.557 4 1 "[ +. 1 . ]" 1 1542 1 84 LYS QB 1 85 LYS H 3.900 . 6.000 2.674 2.420 2.873 . 0 0 "[ . 1 . ]" 1 1543 1 85 LYS H 1 85 LYS QB 2.650 . 3.500 2.248 2.039 2.561 . 0 0 "[ . 1 . ]" 1 1544 1 85 LYS H 1 85 LYS HD3 3.900 . 6.000 5.004 4.090 5.969 . 0 0 "[ . 1 . ]" 1 1545 1 85 LYS H 1 85 LYS HE3 3.900 . 6.000 5.489 4.772 6.180 0.180 9 0 "[ . 1 . ]" 1 1546 1 85 LYS H 1 85 LYS HE2 3.900 . 6.000 5.068 4.395 6.235 0.235 9 0 "[ . 1 . ]" 1 1547 1 85 LYS H 1 85 LYS QG 3.900 . 6.000 3.704 2.414 4.066 . 0 0 "[ . 1 . ]" 1 1548 1 85 LYS H 1 86 ALA H . . 3.500 3.031 2.655 7.650 4.150 4 1 "[ +. 1 . ]" 1 1549 1 85 LYS H 1 88 ALA H 3.900 2.700 6.000 4.794 4.676 5.010 . 0 0 "[ . 1 . ]" 1 1550 1 85 LYS O 1 89 THR H 2.100 . 2.600 2.245 1.834 8.371 5.771 4 1 "[ +. 1 . ]" 1 1551 1 85 LYS O 1 89 THR N 3.100 2.600 3.600 3.231 2.835 9.190 5.590 4 1 "[ +. 1 . ]" 1 1552 1 82 GLU QB 1 86 ALA H 3.900 . 6.000 5.336 5.065 5.991 . 0 0 "[ . 1 . ]" 1 1553 1 82 GLU QG 1 86 ALA H 3.900 . 6.000 4.386 3.889 6.276 0.276 4 0 "[ . 1 . ]" 1 1554 1 83 SER HB3 1 86 ALA H 3.900 . 6.000 5.505 5.225 5.815 . 0 0 "[ . 1 . ]" 1 1555 1 84 LYS QB 1 86 ALA H 3.900 . 6.000 4.941 4.664 6.980 0.980 4 1 "[ +. 1 . ]" 1 1556 1 85 LYS HA 1 86 ALA H 3.900 . 6.000 3.919 3.507 9.996 3.996 4 1 "[ +. 1 . ]" 1 1557 1 85 LYS QB 1 86 ALA H 3.900 . 6.000 3.109 2.422 8.500 2.500 4 1 "[ +. 1 . ]" 1 1558 1 85 LYS QG 1 86 ALA H 3.900 . 6.000 3.676 2.361 10.014 4.014 4 1 "[ +. 1 . ]" 1 1559 1 86 ALA H 1 87 GLU HA 3.900 . 6.000 5.406 5.242 5.562 . 0 0 "[ . 1 . ]" 1 1560 1 86 ALA H 1 87 GLU QG 3.900 . 6.000 5.243 4.589 7.109 1.109 4 1 "[ +. 1 . ]" 1 1561 1 86 ALA H 1 87 GLU H . . 3.500 2.778 2.519 3.065 . 0 0 "[ . 1 . ]" 1 1562 1 86 ALA H 1 89 THR H 3.900 2.700 6.000 5.128 4.691 11.321 5.321 4 1 "[ +. 1 . ]" 1 1563 1 86 ALA O 1 90 ARG H 2.100 . 2.600 2.125 1.890 2.633 0.033 4 0 "[ . 1 . ]" 1 1564 1 86 ALA O 1 90 ARG N 3.100 2.600 3.600 2.923 2.780 3.387 . 0 0 "[ . 1 . ]" 1 1565 1 85 LYS QB 1 87 GLU H 3.900 . 6.000 5.218 4.674 9.993 3.993 4 1 "[ +. 1 . ]" 1 1566 1 85 LYS QG 1 87 GLU H 3.900 . 6.000 5.609 4.719 11.267 5.267 4 1 "[ +. 1 . ]" 1 1567 1 86 ALA HA 1 87 GLU H 3.900 . 6.000 3.947 3.528 10.340 4.340 4 1 "[ +. 1 . ]" 1 1568 1 86 ALA MB 1 87 GLU H 3.900 . 6.000 2.596 2.445 2.838 . 0 0 "[ . 1 . ]" 1 1569 1 87 GLU H 1 87 GLU QG 3.900 . 6.000 3.184 2.311 6.727 0.727 4 1 "[ +. 1 . ]" 1 1570 1 87 GLU H 1 88 ALA MB 3.900 . 6.000 4.691 4.200 9.662 3.662 4 1 "[ +. 1 . ]" 1 1571 1 87 GLU H 1 88 ALA H . . 3.500 3.251 2.712 9.303 5.803 4 1 "[ +. 1 . ]" 1 1572 1 87 GLU H 1 90 ARG H 3.900 2.700 6.000 4.996 4.413 11.740 5.740 4 1 "[ +. 1 . ]" 1 1573 1 87 GLU O 1 91 LEU H 2.100 . 2.600 2.105 1.841 2.556 . 0 0 "[ . 1 . ]" 1 1574 1 87 GLU O 1 91 LEU N 3.100 2.600 3.600 2.988 2.787 3.314 . 0 0 "[ . 1 . ]" 1 1575 1 85 LYS QB 1 88 ALA H 3.900 . 6.000 5.106 4.680 5.319 . 0 0 "[ . 1 . ]" 1 1576 1 86 ALA MB 1 88 ALA H 3.900 . 6.000 5.096 4.643 9.217 3.217 4 1 "[ +. 1 . ]" 1 1577 1 87 GLU HA 1 88 ALA H 3.900 . 6.000 3.918 3.546 9.479 3.479 4 1 "[ +. 1 . ]" 1 1578 1 87 GLU QB 1 88 ALA H 3.900 . 6.000 2.832 2.316 3.608 . 0 0 "[ . 1 . ]" 1 1579 1 87 GLU QG 1 88 ALA H 3.900 . 6.000 3.161 2.079 4.504 . 0 0 "[ . 1 . ]" 1 1580 1 88 ALA H 1 89 THR HA 3.900 . 6.000 5.554 5.349 5.682 . 0 0 "[ . 1 . ]" 1 1581 1 88 ALA H 1 89 THR HB 3.900 . 6.000 5.135 4.667 5.350 . 0 0 "[ . 1 . ]" 1 1582 1 88 ALA H 1 89 THR HG1 3.900 . 6.000 4.659 4.403 4.893 . 0 0 "[ . 1 . ]" 1 1583 1 88 ALA H 1 89 THR H . . 3.500 2.944 2.686 3.104 . 0 0 "[ . 1 . ]" 1 1584 1 88 ALA H 1 91 LEU QD 3.900 . 6.000 4.023 3.485 4.747 . 0 0 "[ . 1 . ]" 1 1585 1 88 ALA O 1 92 GLU H 2.100 . 2.600 2.426 2.096 2.580 . 0 0 "[ . 1 . ]" 1 1586 1 88 ALA O 1 92 GLU N 3.100 2.600 3.600 3.301 3.033 3.458 . 0 0 "[ . 1 . ]" 1 1587 1 50 ASP HA 1 89 THR H 3.900 . 6.000 6.120 5.936 7.048 1.048 4 1 "[ +. 1 . ]" 1 1588 1 85 LYS QB 1 89 THR H 3.900 . 6.000 5.059 4.452 5.292 . 0 0 "[ . 1 . ]" 1 1589 1 85 LYS QG 1 89 THR H 3.900 . 6.000 4.378 3.824 5.055 . 0 0 "[ . 1 . ]" 1 1590 1 86 ALA MB 1 89 THR H 3.900 . 6.000 5.145 4.685 10.803 4.803 4 1 "[ +. 1 . ]" 1 1591 1 87 GLU QB 1 89 THR H 3.900 . 6.000 4.977 4.694 5.351 . 0 0 "[ . 1 . ]" 1 1592 1 88 ALA MB 1 89 THR H 3.900 . 6.000 2.361 2.218 2.532 . 0 0 "[ . 1 . ]" 1 1593 1 89 THR H 1 89 THR HB 3.900 . 6.000 2.425 2.359 2.451 . 0 0 "[ . 1 . ]" 1 1594 1 89 THR H 1 89 THR MG 3.900 . 6.000 3.778 3.741 3.810 . 0 0 "[ . 1 . ]" 1 1595 1 89 THR H 1 90 ARG H . . 3.500 2.684 2.586 2.801 . 0 0 "[ . 1 . ]" 1 1596 1 89 THR O 1 93 LYS H 2.100 . 2.600 2.625 2.089 2.768 0.168 12 0 "[ . 1 . ]" 1 1597 1 89 THR O 1 93 LYS N 3.100 2.600 3.600 3.446 2.937 3.652 0.052 2 0 "[ . 1 . ]" 1 1598 1 87 GLU QB 1 90 ARG H 3.900 . 6.000 4.793 4.268 5.006 . 0 0 "[ . 1 . ]" 1 1599 1 87 GLU QG 1 90 ARG H 3.900 . 6.000 4.957 4.324 5.268 . 0 0 "[ . 1 . ]" 1 1600 1 88 ALA MB 1 90 ARG H 3.900 . 6.000 4.421 4.308 4.550 . 0 0 "[ . 1 . ]" 1 1601 1 89 THR HA 1 90 ARG H 3.900 . 6.000 3.529 3.446 3.574 . 0 0 "[ . 1 . ]" 1 1602 1 89 THR HB 1 90 ARG H 3.900 . 6.000 3.220 2.983 3.463 . 0 0 "[ . 1 . ]" 1 1603 1 89 THR MG 1 90 ARG H 3.900 . 6.000 3.902 3.753 4.049 . 0 0 "[ . 1 . ]" 1 1604 1 90 ARG H 1 90 ARG HB3 3.900 . 6.000 2.872 2.455 3.631 . 0 0 "[ . 1 . ]" 1 1605 1 90 ARG H 1 90 ARG HB2 3.900 . 6.000 2.527 2.333 2.744 . 0 0 "[ . 1 . ]" 1 1606 1 90 ARG H 1 90 ARG HD3 3.900 . 6.000 5.049 4.746 6.024 0.024 17 0 "[ . 1 . ]" 1 1607 1 90 ARG H 1 90 ARG HD2 3.900 . 6.000 4.747 3.663 6.005 0.005 6 0 "[ . 1 . ]" 1 1608 1 90 ARG H 1 90 ARG QG 3.900 . 6.000 3.622 2.516 4.082 . 0 0 "[ . 1 . ]" 1 1609 1 90 ARG O 1 94 ILE H 2.100 . 2.600 2.297 1.911 2.601 0.001 11 0 "[ . 1 . ]" 1 1610 1 90 ARG O 1 94 ILE N 3.100 2.600 3.600 3.159 2.867 3.382 . 0 0 "[ . 1 . ]" 1 1611 1 91 LEU HA 1 91 LEU QB 3.000 2.150 3.850 2.382 2.295 2.529 . 0 0 "[ . 1 . ]" 1 1612 1 91 LEU HA 1 91 LEU QD 3.000 2.150 3.850 2.209 2.070 2.575 0.080 13 0 "[ . 1 . ]" 1 1613 1 91 LEU HA 1 91 LEU HG 3.000 2.150 3.850 3.431 2.682 3.862 0.012 7 0 "[ . 1 . ]" 1 1614 1 91 LEU QB 1 91 LEU QD . 2.150 3.850 1.982 1.850 2.086 0.300 13 0 "[ . 1 . ]" 1 1615 1 91 LEU H 1 91 LEU QB . . 3.500 2.442 2.042 2.626 . 0 0 "[ . 1 . ]" 1 1616 1 91 LEU MD1 1 91 LEU MD2 . 2.150 2.900 2.022 1.984 2.090 0.166 7 0 "[ . 1 . ]" 1 1617 1 91 LEU QD 1 91 LEU HG 3.000 2.150 3.850 1.894 1.885 1.925 0.265 7 0 "[ . 1 . ]" 1 1618 1 91 LEU H 1 91 LEU QD 3.000 2.150 3.850 2.527 2.079 3.315 0.071 7 0 "[ . 1 . ]" 1 1619 1 91 LEU H 1 91 LEU HG 3.900 . 6.000 3.689 2.204 4.615 . 0 0 "[ . 1 . ]" 1 1620 1 87 GLU QG 1 91 LEU H 3.900 . 6.000 5.142 4.139 5.852 . 0 0 "[ . 1 . ]" 1 1621 1 88 ALA MB 1 91 LEU H 3.900 . 6.000 4.626 4.475 4.814 . 0 0 "[ . 1 . ]" 1 1622 1 88 ALA H 1 91 LEU H 3.900 2.700 6.000 4.823 4.612 5.005 . 0 0 "[ . 1 . ]" 1 1623 1 90 ARG HD3 1 91 LEU H 3.900 . 6.000 5.754 4.920 6.717 0.717 14 2 "[ . 1- +. ]" 1 1624 1 90 ARG QG 1 91 LEU H 3.900 . 6.000 4.048 3.543 4.598 . 0 0 "[ . 1 . ]" 1 1625 1 91 LEU H 1 92 GLU QB 3.900 . 6.000 4.310 4.014 4.552 . 0 0 "[ . 1 . ]" 1 1626 1 91 LEU H 1 92 GLU QG 3.900 . 6.000 5.681 4.982 5.799 . 0 0 "[ . 1 . ]" 1 1627 1 91 LEU H 1 92 GLU H . . 3.500 2.615 2.379 2.840 . 0 0 "[ . 1 . ]" 1 1628 1 91 LEU H 1 94 ILE H 3.900 2.700 6.000 4.737 4.490 4.929 . 0 0 "[ . 1 . ]" 1 1629 1 91 LEU O 1 95 LYS H 2.100 . 2.600 1.976 1.778 2.397 . 0 0 "[ . 1 . ]" 1 1630 1 91 LEU O 1 95 LYS N 3.100 2.600 3.600 2.972 2.785 3.387 . 0 0 "[ . 1 . ]" 1 1631 1 46 ILE HA 1 92 GLU HA 3.900 . 6.000 6.148 5.689 10.162 4.162 4 1 "[ +. 1 . ]" 1 1632 1 46 ILE QG 1 92 GLU HA 3.900 . 6.000 3.447 2.909 8.257 2.257 4 1 "[ +. 1 . ]" 1 1633 1 46 ILE QG 1 92 GLU QB 3.900 . 6.000 3.671 2.688 7.809 1.809 4 1 "[ +. 1 . ]" 1 1634 1 46 ILE QG 1 92 GLU QG 3.900 . 6.000 3.409 2.196 8.109 2.109 4 1 "[ +. 1 . ]" 1 1635 1 46 ILE QG 1 92 GLU H 3.900 . 6.000 2.885 2.436 6.436 0.436 4 0 "[ . 1 . ]" 1 1636 1 88 ALA MB 1 92 GLU H 3.900 . 6.000 5.036 4.819 5.170 . 0 0 "[ . 1 . ]" 1 1637 1 89 THR MG 1 92 GLU H 3.900 . 6.000 4.407 4.189 4.658 . 0 0 "[ . 1 . ]" 1 1638 1 89 THR H 1 92 GLU H 3.900 2.700 6.000 4.769 4.611 4.932 . 0 0 "[ . 1 . ]" 1 1639 1 90 ARG HB3 1 92 GLU H 3.900 . 6.000 5.228 4.929 5.608 . 0 0 "[ . 1 . ]" 1 1640 1 90 ARG QG 1 92 GLU H 3.900 . 6.000 5.371 5.041 5.591 . 0 0 "[ . 1 . ]" 1 1641 1 91 LEU HA 1 92 GLU H 3.900 . 6.000 3.551 3.497 3.613 . 0 0 "[ . 1 . ]" 1 1642 1 91 LEU QB 1 92 GLU H 3.900 . 6.000 2.781 2.553 3.010 . 0 0 "[ . 1 . ]" 1 1643 1 91 LEU QD 1 92 GLU H 3.900 . 6.000 3.990 3.722 4.234 . 0 0 "[ . 1 . ]" 1 1644 1 92 GLU H 1 92 GLU QB 2.650 . 3.500 2.111 2.022 2.240 . 0 0 "[ . 1 . ]" 1 1645 1 92 GLU H 1 92 GLU QG 3.900 . 6.000 3.422 2.820 3.671 . 0 0 "[ . 1 . ]" 1 1646 1 92 GLU H 1 93 LYS HG2 3.900 . 6.000 5.044 4.327 6.074 0.074 8 0 "[ . 1 . ]" 1 1647 1 92 GLU H 1 93 LYS H . . 3.400 2.803 2.608 3.018 . 0 0 "[ . 1 . ]" 1 1648 1 92 GLU O 1 96 THR H 2.100 . 2.600 2.458 2.162 2.645 0.045 3 0 "[ . 1 . ]" 1 1649 1 92 GLU O 1 96 THR N 3.100 2.600 3.600 3.295 2.965 3.583 . 0 0 "[ . 1 . ]" 1 1650 1 89 THR MG 1 93 LYS H 3.900 . 6.000 4.607 4.128 4.761 . 0 0 "[ . 1 . ]" 1 1651 1 90 ARG HB3 1 93 LYS H 3.900 . 6.000 5.227 4.609 5.525 . 0 0 "[ . 1 . ]" 1 1652 1 91 LEU QB 1 93 LYS H 3.900 . 6.000 4.758 4.434 5.161 . 0 0 "[ . 1 . ]" 1 1653 1 91 LEU QD 1 93 LYS H 3.900 . 6.000 5.110 4.840 5.380 . 0 0 "[ . 1 . ]" 1 1654 1 92 GLU QB 1 93 LYS H 3.900 . 6.000 2.783 2.338 3.154 . 0 0 "[ . 1 . ]" 1 1655 1 92 GLU QG 1 93 LYS H 3.900 . 6.000 4.411 4.131 4.644 . 0 0 "[ . 1 . ]" 1 1656 1 93 LYS H 1 93 LYS HA 2.650 . 3.500 2.907 2.849 2.971 . 0 0 "[ . 1 . ]" 1 1657 1 93 LYS H 1 93 LYS HB3 2.650 . 3.500 3.267 2.054 3.680 0.180 15 0 "[ . 1 . ]" 1 1658 1 93 LYS H 1 93 LYS HB2 2.650 . 3.500 2.799 2.536 3.652 0.152 14 0 "[ . 1 . ]" 1 1659 1 93 LYS H 1 93 LYS HD3 3.900 . 6.000 4.015 2.799 5.623 . 0 0 "[ . 1 . ]" 1 1660 1 93 LYS H 1 93 LYS HE2 3.900 . 6.000 5.102 3.536 6.721 0.721 6 1 "[ .+ 1 . ]" 1 1661 1 93 LYS H 1 93 LYS HG3 3.900 . 6.000 3.644 2.266 4.530 . 0 0 "[ . 1 . ]" 1 1662 1 93 LYS H 1 94 ILE HA 3.900 . 6.000 5.308 5.130 5.444 . 0 0 "[ . 1 . ]" 1 1663 1 93 LYS H 1 94 ILE H . . 3.500 2.670 2.442 2.889 . 0 0 "[ . 1 . ]" 1 1664 1 93 LYS H 1 96 THR H 3.900 2.700 6.000 4.850 4.523 5.170 . 0 0 "[ . 1 . ]" 1 1665 1 93 LYS O 1 97 ASP H 2.100 . 2.600 2.070 1.810 2.615 0.015 10 0 "[ . 1 . ]" 1 1666 1 93 LYS O 1 97 ASP N 3.100 2.600 3.600 2.937 2.778 3.231 . 0 0 "[ . 1 . ]" 1 1667 1 42 LEU QB 1 94 ILE HA 3.900 . 6.000 5.642 5.385 7.795 1.795 4 1 "[ +. 1 . ]" 1 1668 1 94 ILE H 1 94 ILE QG 3.900 . 6.000 3.102 2.092 4.081 . 0 0 "[ . 1 . ]" 1 1669 1 90 ARG HB3 1 94 ILE H 3.900 . 6.000 5.650 4.457 6.062 0.062 15 0 "[ . 1 . ]" 1 1670 1 91 LEU QD 1 94 ILE H 3.900 . 6.000 4.380 4.128 4.774 . 0 0 "[ . 1 . ]" 1 1671 1 93 LYS HA 1 94 ILE H 3.900 . 6.000 3.554 3.420 3.639 . 0 0 "[ . 1 . ]" 1 1672 1 93 LYS HB2 1 94 ILE H 3.900 . 6.000 3.274 2.594 4.490 . 0 0 "[ . 1 . ]" 1 1673 1 93 LYS HD3 1 94 ILE H 3.900 . 6.000 5.353 4.859 6.274 0.274 19 0 "[ . 1 . ]" 1 1674 1 93 LYS HG2 1 94 ILE H 3.900 . 6.000 4.161 2.992 5.193 . 0 0 "[ . 1 . ]" 1 1675 1 94 ILE H 1 94 ILE HB 3.900 . 6.000 2.619 2.146 3.714 . 0 0 "[ . 1 . ]" 1 1676 1 94 ILE H 1 94 ILE MG 3.900 . 6.000 3.108 1.926 3.874 . 0 0 "[ . 1 . ]" 1 1677 1 94 ILE H 1 95 LYS QG 3.900 . 6.000 4.483 4.092 4.905 . 0 0 "[ . 1 . ]" 1 1678 1 94 ILE H 1 95 LYS H . . 3.500 2.835 2.443 3.043 . 0 0 "[ . 1 . ]" 1 1679 1 94 ILE H 1 97 ASP H 3.900 2.700 6.000 4.616 4.377 4.766 . 0 0 "[ . 1 . ]" 1 1680 1 94 ILE O 1 98 ARG H 2.100 . 2.600 1.985 1.777 2.607 0.007 4 0 "[ . 1 . ]" 1 1681 1 94 ILE O 1 98 ARG N 3.100 2.600 3.600 2.986 2.791 3.608 0.008 4 0 "[ . 1 . ]" 1 1682 1 91 LEU QD 1 95 LYS H 3.900 . 6.000 4.828 4.378 5.513 . 0 0 "[ . 1 . ]" 1 1683 1 92 GLU H 1 95 LYS H 3.900 2.700 6.000 4.913 4.744 5.262 . 0 0 "[ . 1 . ]" 1 1684 1 94 ILE HB 1 95 LYS H 3.900 . 6.000 3.499 2.468 4.380 . 0 0 "[ . 1 . ]" 1 1685 1 94 ILE QG 1 95 LYS H 3.900 . 6.000 4.139 2.487 4.805 . 0 0 "[ . 1 . ]" 1 1686 1 94 ILE MG 1 95 LYS H 3.900 . 6.000 3.011 2.365 4.045 . 0 0 "[ . 1 . ]" 1 1687 1 95 LYS H 1 95 LYS QD 3.900 . 6.000 4.213 3.519 4.495 . 0 0 "[ . 1 . ]" 1 1688 1 95 LYS H 1 95 LYS QE 3.900 . 6.000 4.871 3.885 5.078 . 0 0 "[ . 1 . ]" 1 1689 1 95 LYS H 1 95 LYS QG 2.650 . 3.500 2.520 2.191 2.843 . 0 0 "[ . 1 . ]" 1 1690 1 95 LYS H 1 96 THR H . . 3.500 2.752 2.650 2.908 . 0 0 "[ . 1 . ]" 1 1691 1 95 LYS H 1 98 ARG H 3.900 2.700 6.000 4.870 4.707 5.194 . 0 0 "[ . 1 . ]" 1 1692 1 95 LYS O 1 99 LYS H 2.100 . 2.600 2.087 1.867 2.629 0.029 3 0 "[ . 1 . ]" 1 1693 1 95 LYS O 1 99 LYS N 3.100 2.600 3.600 3.061 2.868 3.560 . 0 0 "[ . 1 . ]" 1 1694 1 92 GLU QG 1 96 THR H 3.900 . 6.000 5.303 4.960 5.706 . 0 0 "[ . 1 . ]" 1 1695 1 93 LYS HB3 1 96 THR H 3.900 . 6.000 5.371 4.950 5.847 . 0 0 "[ . 1 . ]" 1 1696 1 94 ILE HB 1 96 THR H 3.900 . 6.000 5.304 4.734 5.748 . 0 0 "[ . 1 . ]" 1 1697 1 94 ILE MD 1 96 THR H 3.900 . 6.000 5.801 5.258 6.197 0.197 11 0 "[ . 1 . ]" 1 1698 1 94 ILE QG 1 96 THR H 3.900 . 6.000 5.347 4.582 5.778 . 0 0 "[ . 1 . ]" 1 1699 1 94 ILE MG 1 96 THR H 3.900 . 6.000 4.780 4.483 5.281 . 0 0 "[ . 1 . ]" 1 1700 1 95 LYS HA 1 96 THR H 3.900 . 6.000 3.489 3.421 3.556 . 0 0 "[ . 1 . ]" 1 1701 1 95 LYS QB 1 96 THR H 3.900 . 6.000 3.571 2.846 3.775 . 0 0 "[ . 1 . ]" 1 1702 1 95 LYS QD 1 96 THR H 3.900 . 6.000 4.673 4.394 5.222 . 0 0 "[ . 1 . ]" 1 1703 1 95 LYS QE 1 96 THR H 3.900 . 6.000 4.576 4.154 5.156 . 0 0 "[ . 1 . ]" 1 1704 1 95 LYS QG 1 96 THR H 3.900 . 6.000 2.746 2.344 4.445 . 0 0 "[ . 1 . ]" 1 1705 1 96 THR H 1 96 THR HB 3.900 . 6.000 2.795 2.567 3.776 . 0 0 "[ . 1 . ]" 1 1706 1 96 THR H 1 96 THR MG 3.900 . 6.000 3.666 2.577 3.886 . 0 0 "[ . 1 . ]" 1 1707 1 96 THR H 1 97 ASP HA 3.900 . 6.000 5.270 5.081 5.411 . 0 0 "[ . 1 . ]" 1 1708 1 96 THR H 1 97 ASP HB3 3.900 . 6.000 4.702 4.462 5.031 . 0 0 "[ . 1 . ]" 1 1709 1 96 THR H 1 97 ASP H . . 3.500 2.569 2.345 2.743 . 0 0 "[ . 1 . ]" 1 1710 1 96 THR H 1 99 LYS H 3.900 2.700 6.000 4.680 4.560 4.982 . 0 0 "[ . 1 . ]" 1 1711 1 96 THR O 1 100 LYS H 2.100 . 2.600 1.995 1.843 2.249 . 0 0 "[ . 1 . ]" 1 1712 1 96 THR O 1 100 LYS N 3.100 2.600 3.600 2.983 2.850 3.170 . 0 0 "[ . 1 . ]" 1 1713 1 94 ILE MG 1 97 ASP H 3.900 . 6.000 4.793 4.385 5.294 . 0 0 "[ . 1 . ]" 1 1714 1 95 LYS QB 1 97 ASP H 3.900 . 6.000 5.247 4.713 5.394 . 0 0 "[ . 1 . ]" 1 1715 1 95 LYS QG 1 97 ASP H 3.900 . 6.000 4.871 4.595 5.787 . 0 0 "[ . 1 . ]" 1 1716 1 96 THR HA 1 97 ASP H 3.900 . 6.000 3.559 3.480 3.591 . 0 0 "[ . 1 . ]" 1 1717 1 96 THR HB 1 97 ASP H 3.900 . 6.000 2.941 2.488 3.981 . 0 0 "[ . 1 . ]" 1 1718 1 96 THR HG1 1 97 ASP H 3.900 . 6.000 3.931 2.663 4.344 . 0 0 "[ . 1 . ]" 1 1719 1 97 ASP H 1 97 ASP HB3 3.900 . 6.000 2.468 2.344 2.606 . 0 0 "[ . 1 . ]" 1 1720 1 97 ASP H 1 97 ASP HB2 3.900 . 6.000 2.575 2.414 2.860 . 0 0 "[ . 1 . ]" 1 1721 1 97 ASP H 1 98 ARG HA 3.900 . 6.000 5.330 5.059 5.513 . 0 0 "[ . 1 . ]" 1 1722 1 97 ASP H 1 98 ARG HB2 3.900 . 6.000 4.802 4.232 5.343 . 0 0 "[ . 1 . ]" 1 1723 1 97 ASP H 1 98 ARG HG2 3.900 . 6.000 5.588 4.390 6.786 0.786 14 5 "[** . * - +. ]" 1 1724 1 97 ASP H 1 98 ARG H . . 3.500 2.651 2.366 2.871 . 0 0 "[ . 1 . ]" 1 1725 1 97 ASP H 1 100 LYS H 3.900 2.700 6.000 4.770 4.519 5.054 . 0 0 "[ . 1 . ]" 1 1726 1 97 ASP O 1 101 ALA H 2.100 . 2.600 2.079 1.855 2.669 0.069 19 0 "[ . 1 . ]" 1 1727 1 97 ASP O 1 101 ALA N 3.100 2.600 3.600 2.945 2.836 3.085 . 0 0 "[ . 1 . ]" 1 1728 1 94 ILE QG 1 98 ARG H 3.900 . 6.000 5.096 3.642 5.823 . 0 0 "[ . 1 . ]" 1 1729 1 94 ILE MG 1 98 ARG H 3.900 . 6.000 4.508 3.629 5.753 . 0 0 "[ . 1 . ]" 1 1730 1 95 LYS QB 1 98 ARG H 3.900 . 6.000 5.007 4.726 5.277 . 0 0 "[ . 1 . ]" 1 1731 1 96 THR HB 1 98 ARG H 3.900 . 6.000 5.307 5.106 5.884 . 0 0 "[ . 1 . ]" 1 1732 1 96 THR HG1 1 98 ARG H 3.900 . 6.000 5.947 5.142 6.086 0.086 3 0 "[ . 1 . ]" 1 1733 1 97 ASP HA 1 98 ARG H 3.900 . 6.000 3.579 3.532 3.598 . 0 0 "[ . 1 . ]" 1 1734 1 97 ASP HB3 1 98 ARG H 3.900 . 6.000 2.565 2.416 2.765 . 0 0 "[ . 1 . ]" 1 1735 1 97 ASP HB2 1 98 ARG H 3.900 . 6.000 3.882 3.779 4.064 . 0 0 "[ . 1 . ]" 1 1736 1 98 ARG H 1 98 ARG HB2 2.650 . 3.500 2.482 2.109 2.822 . 0 0 "[ . 1 . ]" 1 1737 1 98 ARG H 1 98 ARG HD3 3.900 . 6.000 4.657 3.955 5.347 . 0 0 "[ . 1 . ]" 1 1738 1 98 ARG H 1 98 ARG HD2 3.900 . 6.000 4.534 2.665 5.902 . 0 0 "[ . 1 . ]" 1 1739 1 98 ARG H 1 98 ARG HG3 3.900 . 6.000 3.604 2.402 4.303 . 0 0 "[ . 1 . ]" 1 1740 1 98 ARG H 1 98 ARG HG2 3.900 . 6.000 3.266 2.311 4.567 . 0 0 "[ . 1 . ]" 1 1741 1 98 ARG H 1 99 LYS H . . 3.500 2.912 2.719 3.175 . 0 0 "[ . 1 . ]" 1 1742 1 96 THR HB 1 99 LYS H 3.900 . 6.000 5.579 5.048 5.855 . 0 0 "[ . 1 . ]" 1 1743 1 99 LYS H 1 99 LYS HA 2.650 . 3.500 2.844 2.775 2.930 . 0 0 "[ . 1 . ]" 1 1744 1 99 LYS H 1 99 LYS HB3 2.650 . 3.500 2.813 2.417 3.589 0.089 5 0 "[ . 1 . ]" 1 1745 1 99 LYS H 1 99 LYS HG3 3.900 . 6.000 4.056 2.380 4.613 . 0 0 "[ . 1 . ]" 1 1746 1 99 LYS H 1 99 LYS HG2 3.900 . 6.000 4.149 2.400 4.641 . 0 0 "[ . 1 . ]" 1 1747 1 99 LYS H 1 100 LYS H 2.650 . 3.400 2.908 2.634 3.108 . 0 0 "[ . 1 . ]" 1 1748 1 100 LYS H 1 100 LYS HA 2.650 . 3.500 2.878 2.815 2.944 . 0 0 "[ . 1 . ]" 1 1749 1 100 LYS H 1 100 LYS HB3 2.650 . 3.500 2.778 2.430 3.565 0.065 2 0 "[ . 1 . ]" 1 1750 1 100 LYS H 1 100 LYS HE3 3.900 . 6.000 4.955 4.098 6.018 0.018 17 0 "[ . 1 . ]" 1 1751 1 100 LYS H 1 100 LYS HG3 3.900 . 6.000 4.030 2.002 4.652 . 0 0 "[ . 1 . ]" 1 1752 1 100 LYS H 1 100 LYS HG2 3.900 . 6.000 3.847 2.355 4.719 . 0 0 "[ . 1 . ]" 1 1753 1 98 ARG H 1 101 ALA H 3.900 . 6.000 4.851 4.655 5.229 . 0 0 "[ . 1 . ]" 1 1754 1 99 LYS HB3 1 101 ALA H 3.900 . 6.000 5.262 4.922 6.027 0.027 9 0 "[ . 1 . ]" 1 1755 1 100 LYS HA 1 101 ALA H 2.650 . 3.500 3.487 3.088 3.573 0.073 14 0 "[ . 1 . ]" 1 1756 1 100 LYS HE3 1 101 ALA H 3.900 . 6.000 4.756 3.476 6.026 0.026 15 0 "[ . 1 . ]" 1 1757 1 100 LYS HG2 1 101 ALA H 3.900 . 6.000 4.647 2.667 5.931 . 0 0 "[ . 1 . ]" 1 1758 1 100 LYS H 1 101 ALA H 2.650 . 3.400 2.795 2.582 2.918 . 0 0 "[ . 1 . ]" 1 1759 1 101 ALA H 1 101 ALA HA 2.650 . 3.500 2.787 2.205 2.896 . 0 0 "[ . 1 . ]" 1 1760 1 101 ALA H 1 102 GLU H . . 3.400 2.932 2.724 3.430 0.030 18 0 "[ . 1 . ]" 1 1761 1 100 LYS HE3 1 102 GLU H 3.900 . 6.000 5.516 3.184 6.110 0.110 5 0 "[ . 1 . ]" 1 1762 1 101 ALA MB 1 102 GLU H 3.900 . 6.000 2.816 2.441 3.284 . 0 0 "[ . 1 . ]" 1 1763 1 102 GLU H 1 102 GLU HB2 2.650 . 3.500 2.642 2.306 3.617 0.117 8 0 "[ . 1 . ]" 1 1764 1 102 GLU H 1 102 GLU HG3 3.900 . 6.000 2.935 2.118 3.616 . 0 0 "[ . 1 . ]" 1 1765 1 102 GLU H 1 102 GLU HG2 2.650 . 3.500 3.143 2.099 4.410 0.910 18 1 "[ . 1 . + ]" 1 1766 1 100 LYS HE3 1 103 GLU H 3.900 . 6.000 4.912 3.545 6.122 0.122 4 0 "[ . 1 . ]" 1 1767 1 101 ALA MB 1 103 GLU H 3.900 . 6.000 4.324 3.058 4.836 . 0 0 "[ . 1 . ]" 1 1768 1 102 GLU HG3 1 103 GLU H 3.900 . 6.000 4.785 2.805 5.606 . 0 0 "[ . 1 . ]" 1 1769 1 102 GLU HG2 1 103 GLU H 3.900 . 6.000 4.773 3.056 5.430 . 0 0 "[ . 1 . ]" 1 1770 1 102 GLU H 1 103 GLU H 2.650 . 3.400 2.875 2.615 3.498 0.098 18 0 "[ . 1 . ]" 1 1771 1 103 GLU H 1 103 GLU HA 2.650 . 3.500 2.645 2.162 2.927 . 0 0 "[ . 1 . ]" 1 1772 1 103 GLU H 1 103 GLU HB3 2.650 . 3.500 2.952 2.424 3.730 0.230 3 0 "[ . 1 . ]" 1 1773 1 103 GLU H 1 103 GLU HB2 3.900 . 6.000 2.657 2.134 3.609 . 0 0 "[ . 1 . ]" 1 1774 1 103 GLU H 1 103 GLU HG2 3.900 . 6.000 4.386 2.373 5.258 . 0 0 "[ . 1 . ]" 1 1775 1 103 GLU H 1 104 GLU H 2.650 . 3.500 3.036 2.581 3.583 0.083 1 0 "[ . 1 . ]" 1 1776 1 104 GLU H 1 104 GLU HA 2.650 . 3.500 2.792 2.274 2.993 . 0 0 "[ . 1 . ]" 1 1777 1 104 GLU H 1 104 GLU HB3 3.900 . 6.000 3.470 2.511 4.072 . 0 0 "[ . 1 . ]" 1 1778 1 104 GLU H 1 104 GLU HB2 3.900 . 6.000 2.874 2.358 3.644 . 0 0 "[ . 1 . ]" 1 1779 1 104 GLU H 1 104 GLU HG3 2.650 . 3.500 3.140 2.066 4.442 0.942 4 1 "[ +. 1 . ]" 1 1780 1 104 GLU H 1 105 ALA H . . 3.400 2.830 2.443 3.440 0.040 1 0 "[ . 1 . ]" 1 1781 1 108 LYS H 1 108 LYS HA 2.650 . 3.500 2.866 2.766 2.994 . 0 0 "[ . 1 . ]" 1 1782 1 108 LYS H 1 108 LYS HB3 3.900 . 6.000 2.578 2.381 3.108 . 0 0 "[ . 1 . ]" 1 1783 1 108 LYS H 1 108 LYS HB2 3.900 . 6.000 3.620 3.540 3.845 . 0 0 "[ . 1 . ]" 1 1784 1 108 LYS H 1 108 LYS QE 3.900 . 6.000 4.089 3.194 4.883 . 0 0 "[ . 1 . ]" 1 1785 1 108 LYS H 1 108 LYS HG2 2.650 . 3.500 2.749 1.992 3.541 0.041 18 0 "[ . 1 . ]" 1 1786 1 108 LYS H 1 108 LYS HG3 2.650 . 3.500 2.893 1.936 3.671 0.171 16 0 "[ . 1 . ]" 1 1787 1 108 LYS H 1 109 ALA H 2.650 . 3.500 2.800 1.969 3.075 . 0 0 "[ . 1 . ]" 1 1788 1 107 ARG HB3 1 109 ALA H 2.650 . 3.500 3.577 3.515 3.639 0.139 15 0 "[ . 1 . ]" 1 1789 1 108 LYS HA 1 109 ALA H 2.650 . 3.500 3.364 3.161 3.531 0.031 16 0 "[ . 1 . ]" 1 1790 1 108 LYS HB2 1 109 ALA H 3.900 . 6.000 4.209 3.633 4.411 . 0 0 "[ . 1 . ]" 1 1791 1 108 LYS HD2 1 109 ALA H 3.900 . 6.000 4.435 2.231 5.853 . 0 0 "[ . 1 . ]" 1 1792 1 108 LYS QE 1 109 ALA H 3.900 . 6.000 4.717 3.237 5.715 . 0 0 "[ . 1 . ]" 1 1793 1 108 LYS HG3 1 109 ALA H 2.650 . 3.500 3.303 2.435 3.649 0.149 12 0 "[ . 1 . ]" 1 1794 1 109 ALA H 1 109 ALA HA 2.650 . 3.500 2.578 2.197 2.982 . 0 0 "[ . 1 . ]" 1 1795 1 109 ALA H 1 109 ALA MB 2.650 . 3.500 2.510 2.184 2.930 . 0 0 "[ . 1 . ]" 1 1796 1 109 ALA H 1 110 ALA H 2.650 . 3.400 2.768 1.832 3.416 0.016 19 0 "[ . 1 . ]" 1 1797 1 108 LYS HD2 1 110 ALA H 3.900 . 6.000 4.998 4.116 6.063 0.063 13 0 "[ . 1 . ]" 1 1798 1 108 LYS HG3 1 110 ALA H 3.900 . 6.000 4.005 1.946 6.148 0.148 16 0 "[ . 1 . ]" 1 1799 1 110 ALA H 1 110 ALA HA 2.650 . 3.500 2.793 2.237 2.989 . 0 0 "[ . 1 . ]" 1 1800 1 110 ALA H 1 110 ALA MB 2.650 . 3.500 2.549 2.190 3.059 . 0 0 "[ . 1 . ]" 1 1801 1 110 ALA H 1 111 GLU HB2 3.900 . 6.000 4.953 2.711 6.118 0.118 6 0 "[ . 1 . ]" 1 1802 1 110 ALA H 1 111 GLU HG2 3.900 . 6.000 5.121 3.697 6.156 0.156 14 0 "[ . 1 . ]" 1 1803 1 110 ALA H 1 111 GLU HG3 3.900 . 6.000 5.693 4.518 6.171 0.171 14 0 "[ . 1 . ]" 1 1804 1 110 ALA H 1 111 GLU H 2.650 . 3.500 2.351 1.796 2.916 0.004 4 0 "[ . 1 . ]" 1 1805 1 110 ALA HA 1 111 GLU H 3.900 . 6.000 3.332 2.632 3.665 . 0 0 "[ . 1 . ]" 1 1806 1 110 ALA MB 1 111 GLU H 3.900 . 6.000 3.088 2.224 3.754 . 0 0 "[ . 1 . ]" 1 1807 1 111 GLU H 1 111 GLU HA 2.650 . 3.500 2.721 2.198 2.988 . 0 0 "[ . 1 . ]" 1 1808 1 111 GLU H 1 111 GLU HB3 2.650 . 3.500 3.021 2.366 3.599 0.099 9 0 "[ . 1 . ]" 1 1809 1 111 GLU H 1 111 GLU HG2 3.900 . 6.000 3.478 2.043 5.149 . 0 0 "[ . 1 . ]" 1 1810 1 111 GLU H 1 111 GLU HG3 3.900 . 6.000 3.822 2.363 4.813 . 0 0 "[ . 1 . ]" 1 1811 1 111 GLU H 1 112 GLU H 2.650 . 3.500 2.721 1.921 3.510 0.010 12 0 "[ . 1 . ]" 1 1812 1 111 GLU H 1 113 ASP HB2 3.900 . 6.000 5.938 4.779 6.137 0.137 16 0 "[ . 1 . ]" 1 1813 1 110 ALA MB 1 112 GLU H 3.900 . 6.000 4.262 2.968 5.336 . 0 0 "[ . 1 . ]" 1 1814 1 111 GLU HG3 1 112 GLU H 3.900 . 6.000 4.245 2.470 5.560 . 0 0 "[ . 1 . ]" 1 1815 1 112 GLU H 1 112 GLU HA 2.650 . 3.500 2.658 2.213 2.889 . 0 0 "[ . 1 . ]" 1 1816 1 112 GLU H 1 112 GLU HB2 2.650 . 3.500 2.568 2.077 3.173 . 0 0 "[ . 1 . ]" 1 1817 1 112 GLU H 1 112 GLU QG 3.900 . 6.000 3.924 2.624 4.140 . 0 0 "[ . 1 . ]" 1 1818 1 112 GLU H 1 113 ASP HA 3.900 . 6.000 5.469 5.143 5.768 . 0 0 "[ . 1 . ]" 1 1819 1 112 GLU H 1 113 ASP HB2 3.900 . 6.000 5.064 4.508 5.781 . 0 0 "[ . 1 . ]" 1 1820 1 112 GLU HA 1 113 ASP H 2.650 . 3.500 3.495 3.330 3.568 0.068 3 0 "[ . 1 . ]" 1 1821 1 112 GLU HB3 1 113 ASP H 2.650 . 3.500 2.979 2.418 3.588 0.088 13 0 "[ . 1 . ]" 1 1822 1 112 GLU QG 1 113 ASP H 3.900 . 6.000 3.962 3.038 4.772 . 0 0 "[ . 1 . ]" 1 1823 1 112 GLU H 1 113 ASP H 2.650 . 3.400 2.979 2.676 3.409 0.009 11 0 "[ . 1 . ]" 1 1824 1 113 ASP H 1 113 ASP HA 2.650 . 3.500 2.791 2.340 2.908 . 0 0 "[ . 1 . ]" 1 1825 1 113 ASP H 1 113 ASP HB2 2.650 . 3.500 2.374 2.113 3.533 0.033 8 0 "[ . 1 . ]" 1 1826 1 113 ASP H 1 114 LYS HA 3.900 . 6.000 5.409 4.563 5.709 . 0 0 "[ . 1 . ]" 1 1827 1 113 ASP H 1 114 LYS HE2 3.900 . 6.000 5.602 4.170 6.112 0.112 2 0 "[ . 1 . ]" 1 1828 1 113 ASP H 1 114 LYS HG2 3.900 . 6.000 4.747 3.363 6.182 0.182 6 0 "[ . 1 . ]" 1 1829 1 113 ASP H 1 114 LYS H 2.650 . 3.400 2.805 2.367 3.132 . 0 0 "[ . 1 . ]" 1 1830 1 111 GLU HG3 1 114 LYS H 3.900 . 6.000 4.686 3.110 6.089 0.089 7 0 "[ . 1 . ]" 1 1831 1 112 GLU QG 1 114 LYS H 3.900 . 6.000 5.024 3.060 5.738 . 0 0 "[ . 1 . ]" 1 1832 1 113 ASP HA 1 114 LYS H 2.650 . 3.500 3.500 3.323 3.549 0.049 16 0 "[ . 1 . ]" 1 1833 1 113 ASP HB3 1 114 LYS H 2.650 . 3.500 2.990 2.402 3.589 0.089 12 0 "[ . 1 . ]" 1 1834 1 114 LYS H 1 114 LYS HA 2.650 . 3.500 2.861 2.240 2.975 . 0 0 "[ . 1 . ]" 1 1835 1 114 LYS H 1 114 LYS HB3 2.650 . 3.500 3.140 2.367 3.826 0.326 8 0 "[ . 1 . ]" 1 1836 1 114 LYS H 1 114 LYS HB2 2.650 . 3.500 3.012 2.349 3.617 0.117 5 0 "[ . 1 . ]" 1 1837 1 114 LYS H 1 114 LYS HD3 3.900 . 6.000 4.168 3.178 5.001 . 0 0 "[ . 1 . ]" 1 1838 1 114 LYS H 1 114 LYS HE2 3.900 . 6.000 4.125 2.411 5.090 . 0 0 "[ . 1 . ]" 1 1839 1 114 LYS H 1 114 LYS HG3 2.650 . 3.500 3.270 2.044 4.134 0.634 8 1 "[ . + 1 . ]" 1 1840 1 114 LYS H 1 115 VAL HA 3.900 . 6.000 5.209 4.917 5.671 . 0 0 "[ . 1 . ]" 1 1841 1 114 LYS H 1 115 VAL HB 3.900 . 6.000 5.165 4.176 6.165 0.165 19 0 "[ . 1 . ]" 1 1842 1 114 LYS H 1 115 VAL MG1 3.900 . 6.000 4.974 3.517 6.058 0.058 13 0 "[ . 1 . ]" 1 1843 1 111 GLU HG3 1 115 VAL H 3.900 . 6.000 5.682 4.442 6.172 0.172 3 0 "[ . 1 . ]" 1 1844 1 112 GLU QG 1 115 VAL H 3.900 . 6.000 4.749 3.960 5.642 . 0 0 "[ . 1 . ]" 1 1845 1 113 ASP HB3 1 115 VAL H 3.900 . 6.000 5.108 2.795 5.539 . 0 0 "[ . 1 . ]" 1 1846 1 114 LYS HA 1 115 VAL H 2.650 . 3.500 3.487 2.868 3.581 0.081 3 0 "[ . 1 . ]" 1 1847 1 114 LYS HB3 1 115 VAL H 3.900 . 6.000 3.818 3.228 4.403 . 0 0 "[ . 1 . ]" 1 1848 1 114 LYS HB2 1 115 VAL H 3.900 . 6.000 3.176 2.129 4.152 . 0 0 "[ . 1 . ]" 1 1849 1 114 LYS HD3 1 115 VAL H 3.900 . 6.000 5.468 4.429 6.384 0.384 3 0 "[ . 1 . ]" 1 1850 1 114 LYS HE3 1 115 VAL H 3.900 . 6.000 5.191 4.197 6.124 0.124 8 0 "[ . 1 . ]" 1 1851 1 114 LYS HG3 1 115 VAL H 3.900 . 6.000 3.857 2.576 5.842 . 0 0 "[ . 1 . ]" 1 1852 1 114 LYS HG2 1 115 VAL H 3.900 . 6.000 3.775 2.481 5.005 . 0 0 "[ . 1 . ]" 1 1853 1 115 VAL H 1 115 VAL HA 2.650 . 3.500 2.802 2.273 2.945 . 0 0 "[ . 1 . ]" 1 1854 1 115 VAL H 1 115 VAL HB 2.650 . 3.500 2.797 2.303 3.643 0.143 18 0 "[ . 1 . ]" 1 1855 1 115 VAL H 1 115 VAL MG1 3.900 . 6.000 3.054 1.923 3.841 . 0 0 "[ . 1 . ]" 1 1856 1 115 VAL H 1 115 VAL MG2 3.900 . 6.000 2.613 1.963 3.883 . 0 0 "[ . 1 . ]" 1 1857 1 115 VAL H 1 116 LYS H 2.650 . 3.500 2.872 2.489 3.049 . 0 0 "[ . 1 . ]" 1 1858 1 113 ASP HB3 1 116 LYS H 3.900 . 6.000 5.811 4.255 6.140 0.140 10 0 "[ . 1 . ]" 1 1859 1 115 VAL HA 1 116 LYS H 2.650 . 3.500 3.497 2.725 3.600 0.100 3 0 "[ . 1 . ]" 1 1860 1 115 VAL HB 1 116 LYS H 3.900 . 6.000 3.537 2.466 4.614 . 0 0 "[ . 1 . ]" 1 1861 1 115 VAL MG1 1 116 LYS H 3.900 . 6.000 3.544 2.430 4.273 . 0 0 "[ . 1 . ]" 1 1862 1 116 LYS H 1 116 LYS HA 2.650 . 3.500 2.819 2.232 2.894 . 0 0 "[ . 1 . ]" 1 1863 1 116 LYS H 1 116 LYS HB3 2.650 . 3.500 2.864 2.350 3.784 0.284 8 0 "[ . 1 . ]" 1 1864 1 116 LYS H 1 116 LYS HB2 2.650 . 3.500 3.196 2.362 3.610 0.110 16 0 "[ . 1 . ]" 1 1865 1 116 LYS H 1 116 LYS HD3 3.900 . 6.000 4.186 3.383 4.892 . 0 0 "[ . 1 . ]" 1 1866 1 116 LYS H 1 116 LYS HG3 2.650 . 3.500 3.065 2.155 3.614 0.114 11 0 "[ . 1 . ]" 1 1867 1 116 LYS H 1 116 LYS HG2 2.650 . 3.500 2.700 2.091 3.585 0.085 12 0 "[ . 1 . ]" 1 1868 1 116 LYS H 1 117 GLU H 2.650 . 3.500 2.793 2.596 3.084 . 0 0 "[ . 1 . ]" 1 1869 1 115 VAL MG2 1 117 GLU H 3.900 . 6.000 5.098 4.623 5.594 . 0 0 "[ . 1 . ]" 1 1870 1 116 LYS HB3 1 117 GLU H 3.900 . 6.000 4.013 3.573 4.459 . 0 0 "[ . 1 . ]" 1 1871 1 116 LYS HB2 1 117 GLU H 3.900 . 6.000 3.689 2.645 4.292 . 0 0 "[ . 1 . ]" 1 1872 1 116 LYS HE2 1 117 GLU H 3.900 . 6.000 5.283 4.337 6.039 0.039 8 0 "[ . 1 . ]" 1 1873 1 116 LYS HG2 1 117 GLU H 3.900 . 6.000 3.654 2.360 5.255 . 0 0 "[ . 1 . ]" 1 1874 1 117 GLU H 1 117 GLU HA 2.650 . 3.500 2.966 2.905 3.009 . 0 0 "[ . 1 . ]" 1 1875 1 117 GLU H 1 117 GLU HB3 3.900 . 6.000 3.433 2.503 3.830 . 0 0 "[ . 1 . ]" 1 1876 1 117 GLU H 1 117 GLU HB2 3.900 . 6.000 2.621 2.386 3.817 . 0 0 "[ . 1 . ]" 1 1877 1 117 GLU H 1 117 GLU HG2 3.900 . 6.000 3.590 2.212 5.096 . 0 0 "[ . 1 . ]" 1 1878 1 117 GLU H 1 118 LYS HA 3.900 . 6.000 4.803 4.348 5.288 . 0 0 "[ . 1 . ]" 1 1879 1 117 GLU H 1 118 LYS H 2.150 . 2.500 2.303 1.864 2.578 0.078 12 0 "[ . 1 . ]" 1 1880 1 115 VAL HB 1 118 LYS H 3.900 . 6.000 5.543 4.399 6.032 0.032 6 0 "[ . 1 . ]" 1 1881 1 117 GLU HB3 1 118 LYS H 3.900 . 6.000 3.638 2.555 4.306 . 0 0 "[ . 1 . ]" 1 1882 1 117 GLU HB2 1 118 LYS H 3.900 . 6.000 3.267 2.546 3.947 . 0 0 "[ . 1 . ]" 1 1883 1 117 GLU HG3 1 118 LYS H 3.900 . 6.000 4.722 2.552 5.682 . 0 0 "[ . 1 . ]" 1 1884 1 117 GLU HG2 1 118 LYS H 3.900 . 6.000 4.684 2.826 5.283 . 0 0 "[ . 1 . ]" 1 1885 1 118 LYS H 1 118 LYS HB3 3.900 . 6.000 3.483 2.466 4.047 . 0 0 "[ . 1 . ]" 1 1886 1 118 LYS H 1 118 LYS HB2 3.900 . 6.000 3.079 2.207 3.900 . 0 0 "[ . 1 . ]" 1 1887 1 118 LYS H 1 118 LYS HD3 3.900 . 6.000 5.022 3.837 6.366 0.366 5 0 "[ . 1 . ]" 1 1888 1 118 LYS H 1 118 LYS HE3 3.900 . 6.000 5.343 3.754 6.711 0.711 4 1 "[ +. 1 . ]" 1 1889 1 118 LYS H 1 118 LYS HG2 3.900 . 6.000 3.752 2.403 4.890 . 0 0 "[ . 1 . ]" 1 1890 1 118 LYS H 1 119 PRO HD3 3.900 . 6.000 3.444 2.466 4.991 . 0 0 "[ . 1 . ]" 1 1891 1 118 LYS H 1 119 PRO HD2 3.900 . 6.000 4.081 2.954 5.206 . 0 0 "[ . 1 . ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 223 _Distance_constraint_stats_list.Viol_count 133 _Distance_constraint_stats_list.Viol_total 1706.445 _Distance_constraint_stats_list.Viol_max 6.993 _Distance_constraint_stats_list.Viol_rms 0.2711 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0212 _Distance_constraint_stats_list.Viol_average_violations_only 0.6753 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 SER 0.744 0.118 8 0 "[ . 1 . ]" 1 4 MET 3.224 0.563 13 3 "[ . 1* + . -]" 1 5 PRO 0.416 0.353 3 0 "[ . 1 . ]" 1 6 GLU 2.480 0.563 13 3 "[ . 1* + . -]" 1 7 LYS 0.416 0.353 3 0 "[ . 1 . ]" 1 8 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 12 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 13 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 14 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 15 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 16 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 17 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 18 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 20 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 21 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 22 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 23 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 24 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 25 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 26 GLN 0.000 0.000 . 0 "[ . 1 . ]" 1 27 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 30 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 31 ARG 0.826 0.706 17 1 "[ . 1 . + ]" 1 32 ARG 3.567 0.381 17 0 "[ . 1 . ]" 1 33 ASN 0.826 0.706 17 1 "[ . 1 . + ]" 1 34 TYR 0.000 0.000 . 0 "[ . 1 . ]" 1 36 THR 3.567 0.381 17 0 "[ . 1 . ]" 1 37 ASN 0.183 0.183 17 0 "[ . 1 . ]" 1 38 THR 0.074 0.059 7 0 "[ . 1 . ]" 1 39 TYR 0.183 0.183 17 0 "[ . 1 . ]" 1 40 LYS 5.041 0.349 6 0 "[ . 1 . ]" 1 41 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 42 LEU 4.967 0.349 6 0 "[ . 1 . ]" 1 43 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 44 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 45 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 46 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 47 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 48 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 49 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 50 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 51 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 52 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 55 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 56 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 57 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 58 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 59 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 60 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 62 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 63 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 64 GLU 0.013 0.013 13 0 "[ . 1 . ]" 1 65 ALA 0.338 0.178 15 0 "[ . 1 . ]" 1 66 LYS 0.013 0.013 13 0 "[ . 1 . ]" 1 67 GLU 8.243 1.158 8 10 "[ -**.* + * ** . * *]" 1 68 PRO 0.000 0.000 . 0 "[ . 1 . ]" 1 69 ARG 8.581 1.158 8 10 "[ -**.* + * ** . * *]" 1 70 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 73 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 75 LYS 2.790 2.344 4 1 "[ +. 1 . ]" 1 76 GLN 0.477 0.477 4 0 "[ . 1 . ]" 1 77 ALA 1.149 1.123 4 1 "[ +. 1 . ]" 1 78 LYS 2.780 1.485 4 1 "[ +. 1 . ]" 1 79 ALA 9.579 4.526 4 1 "[ +. 1 . ]" 1 80 GLU 1.485 1.485 4 1 "[ +. 1 . ]" 1 81 VAL 15.493 4.526 4 1 "[ +. 1 . ]" 1 82 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 83 SER 19.325 5.321 4 1 "[ +. 1 . ]" 1 84 LYS 3.119 3.119 4 1 "[ +. 1 . ]" 1 85 LYS 19.337 5.361 4 1 "[ +. 1 . ]" 1 86 ALA 3.900 3.900 4 1 "[ +. 1 . ]" 1 87 GLU 28.069 6.993 4 1 "[ +. 1 . ]" 1 88 ALA 3.900 3.900 4 1 "[ +. 1 . ]" 1 89 THR 13.246 6.993 4 1 "[ +. 1 . ]" 1 90 ARG 5.776 5.776 4 1 "[ +. 1 . ]" 1 91 LEU 0.020 0.020 14 0 "[ . 1 . ]" 1 92 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 93 LYS 0.020 0.020 14 0 "[ . 1 . ]" 1 94 ILE 0.000 0.000 . 0 "[ . 1 . ]" 1 95 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 96 THR 0.000 0.000 . 0 "[ . 1 . ]" 1 97 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 98 ARG 0.000 0.000 . 0 "[ . 1 . ]" 1 99 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 100 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 101 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 105 ALA 0.162 0.162 3 0 "[ . 1 . ]" 1 106 LYS 0.162 0.162 3 0 "[ . 1 . ]" 1 107 ARG 1.402 0.228 16 0 "[ . 1 . ]" 1 108 LYS 1.433 0.228 16 0 "[ . 1 . ]" 1 110 ALA 0.905 0.527 17 1 "[ . 1 . + ]" 1 111 GLU 0.409 0.133 1 0 "[ . 1 . ]" 1 112 GLU 0.527 0.527 17 1 "[ . 1 . + ]" 1 113 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 114 LYS 0.229 0.081 18 0 "[ . 1 . ]" 1 115 VAL 0.000 0.000 . 0 "[ . 1 . ]" 1 116 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 117 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 118 LYS 0.229 0.081 18 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 SER HA 1 4 MET H 4.400 3.200 5.600 4.657 3.481 5.574 . 0 0 "[ . 1 . ]" 2 2 1 2 SER H 1 4 MET H 4.200 3.000 5.400 5.324 4.635 5.518 0.118 8 0 "[ . 1 . ]" 2 3 1 4 MET HA 1 6 GLU H 4.400 3.200 5.600 4.088 3.565 4.882 . 0 0 "[ . 1 . ]" 2 4 1 4 MET H 1 6 GLU H 3.900 3.000 5.400 3.937 2.437 4.635 0.563 13 3 "[ . 1* + . -]" 2 5 1 6 GLU H 1 8 LYS H 3.900 3.000 5.400 4.232 3.826 4.579 . 0 0 "[ . 1 . ]" 2 6 1 4 MET HA 1 7 LYS H 3.400 . 5.500 4.506 3.481 5.241 . 0 0 "[ . 1 . ]" 2 7 1 5 PRO HA 1 7 LYS H 4.400 3.200 5.600 3.742 2.847 4.597 0.353 3 0 "[ . 1 . ]" 2 8 1 7 LYS H 1 9 VAL H 3.900 3.000 5.400 4.177 4.004 4.415 . 0 0 "[ . 1 . ]" 2 9 1 5 PRO HA 1 8 LYS H 3.400 . 5.500 2.917 2.311 3.440 . 0 0 "[ . 1 . ]" 2 10 1 8 LYS H 1 10 ALA H 3.900 3.000 5.400 4.114 3.937 4.315 . 0 0 "[ . 1 . ]" 2 11 1 9 VAL H 1 11 GLU H 3.900 3.000 5.400 4.407 4.151 4.597 . 0 0 "[ . 1 . ]" 2 12 1 8 LYS HA 1 10 ALA H 4.400 3.200 5.600 4.395 4.135 4.748 . 0 0 "[ . 1 . ]" 2 13 1 9 VAL HA 1 11 GLU H 4.400 3.200 5.600 4.738 4.561 4.906 . 0 0 "[ . 1 . ]" 2 14 1 11 GLU H 1 13 GLU H 3.900 3.000 5.400 4.058 3.899 4.373 . 0 0 "[ . 1 . ]" 2 15 1 9 VAL HA 1 12 ALA H 3.400 . 5.500 3.400 3.045 3.740 . 0 0 "[ . 1 . ]" 2 16 1 10 ALA H 1 12 ALA H 3.900 3.150 4.650 4.112 3.745 4.384 . 0 0 "[ . 1 . ]" 2 17 1 12 ALA H 1 14 LYS H 3.900 3.050 4.750 4.251 3.727 4.540 . 0 0 "[ . 1 . ]" 2 18 1 9 VAL HA 1 13 GLU H 4.200 3.000 5.400 4.264 3.785 4.588 . 0 0 "[ . 1 . ]" 2 19 1 10 ALA HA 1 13 GLU H 3.400 . 5.500 3.410 2.970 3.722 . 0 0 "[ . 1 . ]" 2 20 1 11 GLU HA 1 13 GLU H 4.400 3.200 5.600 3.920 3.501 4.517 . 0 0 "[ . 1 . ]" 2 21 1 13 GLU H 1 15 LYS H 4.200 3.000 5.400 3.842 3.550 4.273 . 0 0 "[ . 1 . ]" 2 22 1 12 ALA HA 1 14 LYS H 4.400 3.200 5.600 3.905 3.390 4.196 . 0 0 "[ . 1 . ]" 2 23 1 14 LYS H 1 16 VAL H 3.900 3.000 5.400 3.904 3.684 4.185 . 0 0 "[ . 1 . ]" 2 24 1 11 GLU HA 1 15 LYS H 4.200 3.000 5.400 4.750 4.631 4.846 . 0 0 "[ . 1 . ]" 2 25 1 16 VAL H 1 18 GLU H 3.900 3.000 5.400 4.424 4.154 4.604 . 0 0 "[ . 1 . ]" 2 26 1 14 LYS HA 1 17 GLU H 3.400 . 5.500 3.593 3.238 3.942 . 0 0 "[ . 1 . ]" 2 27 1 15 LYS H 1 17 GLU H 3.900 . 6.000 3.991 3.744 4.187 . 0 0 "[ . 1 . ]" 2 28 1 17 GLU H 1 19 ALA H 3.900 3.050 4.750 3.790 3.546 4.273 . 0 0 "[ . 1 . ]" 2 29 1 15 LYS HA 1 18 GLU H 3.400 . 5.500 3.319 3.122 3.492 . 0 0 "[ . 1 . ]" 2 30 1 16 VAL HA 1 18 GLU H 4.400 3.200 5.600 4.555 4.375 4.852 . 0 0 "[ . 1 . ]" 2 31 1 18 GLU H 1 20 LYS H 3.900 3.000 5.400 4.287 4.177 4.482 . 0 0 "[ . 1 . ]" 2 32 1 15 LYS HA 1 19 ALA H 4.200 3.000 5.400 4.126 3.945 4.352 . 0 0 "[ . 1 . ]" 2 33 1 16 VAL HA 1 19 ALA H 3.400 . 5.500 3.346 3.124 3.721 . 0 0 "[ . 1 . ]" 2 34 1 19 ALA H 1 21 LYS H 3.900 3.050 4.750 4.288 4.039 4.432 . 0 0 "[ . 1 . ]" 2 35 1 16 VAL HA 1 20 LYS H 4.200 3.000 5.400 3.848 3.685 4.014 . 0 0 "[ . 1 . ]" 2 36 1 17 GLU HA 1 21 LYS H 4.200 3.000 5.400 3.834 3.704 3.944 . 0 0 "[ . 1 . ]" 2 37 1 19 ALA HA 1 21 LYS H 4.400 3.200 5.600 4.653 4.489 4.774 . 0 0 "[ . 1 . ]" 2 38 1 21 LYS H 1 23 ALA H 3.900 3.150 4.650 4.342 4.153 4.490 . 0 0 "[ . 1 . ]" 2 39 1 19 ALA HA 1 22 LYS H 3.400 . 5.500 3.635 3.383 3.929 . 0 0 "[ . 1 . ]" 2 40 1 20 LYS HA 1 22 LYS H 4.400 3.200 5.600 4.484 4.104 4.755 . 0 0 "[ . 1 . ]" 2 41 1 20 LYS H 1 22 LYS H 4.200 3.000 5.400 4.428 4.262 4.701 . 0 0 "[ . 1 . ]" 2 42 1 22 LYS H 1 24 GLU H 3.900 3.000 5.400 4.091 3.932 4.307 . 0 0 "[ . 1 . ]" 2 43 1 20 LYS HA 1 23 ALA H 3.400 2.550 4.250 3.286 3.080 3.457 . 0 0 "[ . 1 . ]" 2 44 1 21 LYS HA 1 23 ALA H 4.400 3.200 5.600 4.516 4.216 4.805 . 0 0 "[ . 1 . ]" 2 45 1 23 ALA H 1 25 ASP H 3.900 3.000 5.400 4.182 3.944 4.477 . 0 0 "[ . 1 . ]" 2 46 1 21 LYS HA 1 24 GLU H 3.400 . 5.500 3.220 2.869 3.501 . 0 0 "[ . 1 . ]" 2 47 1 24 GLU H 1 26 GLN H 4.200 3.050 4.750 3.967 3.646 4.177 . 0 0 "[ . 1 . ]" 2 48 1 23 ALA HA 1 25 ASP H 4.400 3.200 5.600 4.182 3.880 4.567 . 0 0 "[ . 1 . ]" 2 49 1 25 ASP H 1 27 LYS H 3.900 3.050 4.750 4.046 3.852 4.234 . 0 0 "[ . 1 . ]" 2 50 1 23 ALA HA 1 26 GLN H 3.400 . 5.500 3.263 3.023 3.468 . 0 0 "[ . 1 . ]" 2 51 1 26 GLN H 1 28 GLU H 3.900 3.050 4.750 3.805 3.649 4.110 . 0 0 "[ . 1 . ]" 2 52 1 25 ASP HA 1 27 LYS H 4.400 3.200 5.600 4.409 4.188 4.564 . 0 0 "[ . 1 . ]" 2 53 1 25 ASP HA 1 28 GLU H 3.400 . 5.500 3.434 3.189 3.584 . 0 0 "[ . 1 . ]" 2 54 1 26 GLN HA 1 28 GLU H 4.400 3.200 5.600 4.245 3.890 4.708 . 0 0 "[ . 1 . ]" 2 55 1 28 GLU H 1 30 ASP H 3.900 3.000 5.400 4.632 4.246 4.983 . 0 0 "[ . 1 . ]" 2 56 1 27 LYS H 1 29 GLU H 3.900 3.050 4.750 4.021 3.649 4.299 . 0 0 "[ . 1 . ]" 2 57 1 29 GLU H 1 31 ARG H 3.900 3.050 4.750 4.246 3.926 4.579 . 0 0 "[ . 1 . ]" 2 58 1 28 GLU HA 1 30 ASP H 4.400 3.200 5.600 4.800 4.024 5.117 . 0 0 "[ . 1 . ]" 2 59 1 30 ASP H 1 32 ARG H 4.200 3.000 5.400 4.288 3.758 4.586 . 0 0 "[ . 1 . ]" 2 60 1 28 GLU HA 1 31 ARG H 3.400 2.550 4.250 3.619 3.338 3.899 . 0 0 "[ . 1 . ]" 2 61 1 31 ARG H 1 33 ASN H 3.900 3.000 5.400 3.254 2.294 3.805 0.706 17 1 "[ . 1 . + ]" 2 62 1 28 GLU HA 1 32 ARG H 4.200 3.000 5.400 4.295 3.236 4.763 . 0 0 "[ . 1 . ]" 2 63 1 30 ASP HA 1 32 ARG H 4.400 3.200 5.600 4.292 3.747 4.740 . 0 0 "[ . 1 . ]" 2 64 1 32 ARG H 1 34 TYR H 4.200 3.000 5.400 3.831 3.411 5.088 . 0 0 "[ . 1 . ]" 2 65 1 30 ASP HA 1 33 ASN H 3.400 . 5.500 3.730 3.155 4.111 . 0 0 "[ . 1 . ]" 2 66 1 34 TYR H 1 36 THR H 4.200 3.000 5.400 3.806 3.296 3.906 . 0 0 "[ . 1 . ]" 2 67 1 32 ARG HA 1 36 THR H 4.200 3.000 5.400 5.498 3.701 5.781 0.381 17 0 "[ . 1 . ]" 2 68 1 36 THR H 1 38 THR H 4.200 3.000 5.400 4.117 3.908 4.474 . 0 0 "[ . 1 . ]" 2 69 1 34 TYR HA 1 37 ASN H 3.400 . 5.500 2.642 1.850 3.899 . 0 0 "[ . 1 . ]" 2 70 1 37 ASN H 1 39 TYR H 4.200 3.000 5.400 3.359 2.817 3.561 0.183 17 0 "[ . 1 . ]" 2 71 1 38 THR HA 1 40 LYS H 4.400 3.200 5.600 4.094 3.372 5.659 0.059 7 0 "[ . 1 . ]" 2 72 1 40 LYS H 1 42 LEU H 4.200 3.000 5.400 5.615 4.509 5.749 0.349 6 0 "[ . 1 . ]" 2 73 1 42 LEU H 1 44 LEU H 3.900 3.050 4.750 4.454 3.833 4.698 . 0 0 "[ . 1 . ]" 2 74 1 41 THR HA 1 43 GLU H 4.400 3.200 5.600 3.897 3.410 4.791 . 0 0 "[ . 1 . ]" 2 75 1 43 GLU H 1 45 GLU H 3.900 3.000 5.400 4.232 3.644 4.546 . 0 0 "[ . 1 . ]" 2 76 1 44 LEU H 1 45 GLU H 2.650 . 3.500 2.601 2.360 2.724 . 0 0 "[ . 1 . ]" 2 77 1 44 LEU H 1 46 ILE H 3.900 . 6.000 4.178 3.813 4.346 . 0 0 "[ . 1 . ]" 2 78 1 42 LEU HA 1 45 GLU H 3.400 . 5.500 2.984 2.405 3.840 . 0 0 "[ . 1 . ]" 2 79 1 43 GLU HA 1 45 GLU H 4.400 3.200 5.600 4.398 3.663 4.825 . 0 0 "[ . 1 . ]" 2 80 1 45 GLU H 1 47 ALA H 3.900 3.000 5.400 4.382 4.214 4.520 . 0 0 "[ . 1 . ]" 2 81 1 43 GLU HA 1 46 ILE H 3.400 . 5.500 3.286 2.595 3.986 . 0 0 "[ . 1 . ]" 2 82 1 44 LEU HA 1 46 ILE H 4.400 3.200 5.600 4.732 4.421 4.871 . 0 0 "[ . 1 . ]" 2 83 1 46 ILE H 1 48 GLU H 4.200 3.000 5.400 4.241 3.959 4.363 . 0 0 "[ . 1 . ]" 2 84 1 43 GLU HA 1 47 ALA H 4.200 3.000 5.400 3.740 3.339 4.744 . 0 0 "[ . 1 . ]" 2 85 1 44 LEU HA 1 47 ALA H 3.400 . 5.500 3.700 3.433 3.925 . 0 0 "[ . 1 . ]" 2 86 1 47 ALA H 1 49 SER H 3.900 3.050 4.750 4.403 4.185 4.581 . 0 0 "[ . 1 . ]" 2 87 1 44 LEU HA 1 48 GLU H 4.200 3.000 5.400 3.992 3.693 4.284 . 0 0 "[ . 1 . ]" 2 88 1 45 GLU HA 1 48 GLU H 3.400 . 5.500 3.368 2.930 3.740 . 0 0 "[ . 1 . ]" 2 89 1 46 ILE HA 1 48 GLU H 4.400 3.200 5.600 4.661 3.985 4.802 . 0 0 "[ . 1 . ]" 2 90 1 48 GLU H 1 50 ASP H 3.900 3.000 5.400 4.497 4.332 4.642 . 0 0 "[ . 1 . ]" 2 91 1 46 ILE HA 1 49 SER H 3.400 . 5.500 3.826 3.146 3.951 . 0 0 "[ . 1 . ]" 2 92 1 49 SER H 1 51 VAL H 3.900 3.000 5.400 4.164 3.996 4.351 . 0 0 "[ . 1 . ]" 2 93 1 48 GLU HA 1 50 ASP H 4.400 3.200 5.600 4.934 4.900 4.977 . 0 0 "[ . 1 . ]" 2 94 1 50 ASP H 1 52 GLU H 3.900 3.000 5.400 4.320 4.113 4.443 . 0 0 "[ . 1 . ]" 2 95 1 47 ALA HA 1 51 VAL H 4.200 3.000 5.400 3.935 3.705 4.103 . 0 0 "[ . 1 . ]" 2 96 1 48 GLU HA 1 51 VAL H 3.400 . 5.500 3.623 3.383 3.806 . 0 0 "[ . 1 . ]" 2 97 1 49 SER HA 1 51 VAL H 4.400 3.200 5.600 4.432 4.194 4.659 . 0 0 "[ . 1 . ]" 2 98 1 51 VAL H 1 52 GLU H 2.650 . 3.500 2.597 2.555 2.660 . 0 0 "[ . 1 . ]" 2 99 1 51 VAL H 1 53 VAL H 3.900 3.000 5.400 3.940 3.820 4.038 . 0 0 "[ . 1 . ]" 2 100 1 49 SER HA 1 52 GLU H 3.400 . 5.500 3.541 3.270 3.875 . 0 0 "[ . 1 . ]" 2 101 1 50 ASP HA 1 52 GLU H 4.400 3.200 5.600 4.380 4.163 4.682 . 0 0 "[ . 1 . ]" 2 102 1 49 SER HA 1 53 VAL H 4.200 3.000 5.400 4.687 4.362 4.806 . 0 0 "[ . 1 . ]" 2 103 1 50 ASP HA 1 53 VAL H 3.400 . 5.500 3.289 3.044 3.613 . 0 0 "[ . 1 . ]" 2 104 1 53 VAL H 1 55 LYS H 3.900 3.000 5.400 4.001 3.875 4.132 . 0 0 "[ . 1 . ]" 2 105 1 50 ASP HA 1 54 LYS H 4.200 3.000 5.400 4.621 4.338 4.756 . 0 0 "[ . 1 . ]" 2 106 1 52 GLU H 1 54 LYS H 3.900 3.000 5.400 3.982 3.833 4.205 . 0 0 "[ . 1 . ]" 2 107 1 54 LYS H 1 56 ALA H 3.900 3.000 5.400 3.936 3.525 4.227 . 0 0 "[ . 1 . ]" 2 108 1 51 VAL HA 1 55 LYS H 4.200 3.000 5.400 4.125 4.033 4.268 . 0 0 "[ . 1 . ]" 2 109 1 52 GLU HA 1 55 LYS H 3.400 . 5.500 2.778 2.555 3.031 . 0 0 "[ . 1 . ]" 2 110 1 53 VAL HA 1 55 LYS H 4.400 3.200 5.600 4.747 4.625 4.939 . 0 0 "[ . 1 . ]" 2 111 1 55 LYS H 1 57 GLU H 3.900 3.000 5.400 4.495 4.357 4.601 . 0 0 "[ . 1 . ]" 2 112 1 53 VAL HA 1 56 ALA H 3.400 . 5.500 3.456 3.197 3.794 . 0 0 "[ . 1 . ]" 2 113 1 54 LYS HA 1 56 ALA H 4.400 3.200 5.600 4.374 4.244 4.501 . 0 0 "[ . 1 . ]" 2 114 1 56 ALA H 1 58 LEU H 3.900 3.050 4.750 4.190 3.993 4.403 . 0 0 "[ . 1 . ]" 2 115 1 53 VAL HA 1 57 GLU H 4.200 3.000 5.400 4.207 3.965 4.533 . 0 0 "[ . 1 . ]" 2 116 1 54 LYS HA 1 57 GLU H 3.400 . 5.500 3.516 3.204 3.940 . 0 0 "[ . 1 . ]" 2 117 1 57 GLU H 1 59 GLU H 3.900 3.000 5.400 4.322 4.114 4.563 . 0 0 "[ . 1 . ]" 2 118 1 58 LEU H 1 60 LEU H 3.900 3.050 4.750 4.272 4.009 4.429 . 0 0 "[ . 1 . ]" 2 119 1 58 LEU H 1 62 LYS H 6.000 4.400 7.600 6.638 6.302 6.799 . 0 0 "[ . 1 . ]" 2 120 1 56 ALA HA 1 59 GLU H 3.400 . 5.500 3.506 3.085 3.853 . 0 0 "[ . 1 . ]" 2 121 1 57 GLU HA 1 59 GLU H 4.400 3.200 5.600 4.297 4.017 4.677 . 0 0 "[ . 1 . ]" 2 122 1 59 GLU H 1 61 VAL H 3.900 3.000 5.400 4.090 3.914 4.287 . 0 0 "[ . 1 . ]" 2 123 1 57 GLU HA 1 60 LEU H 3.400 . 5.500 3.271 3.001 3.675 . 0 0 "[ . 1 . ]" 2 124 1 60 LEU H 1 62 LYS H 3.900 3.000 5.400 4.294 3.989 4.672 . 0 0 "[ . 1 . ]" 2 125 1 60 LEU HA 1 62 LYS H 4.400 3.200 5.600 3.865 3.602 4.377 . 0 0 "[ . 1 . ]" 2 126 1 62 LYS H 1 64 GLU H 3.900 3.000 5.400 4.300 3.920 4.495 . 0 0 "[ . 1 . ]" 2 127 1 61 VAL H 1 63 GLU H 3.900 . 6.000 4.266 4.102 4.491 . 0 0 "[ . 1 . ]" 2 128 1 63 GLU H 1 65 ALA H 3.900 3.000 5.400 4.424 4.211 4.652 . 0 0 "[ . 1 . ]" 2 129 1 64 GLU H 1 66 LYS H 3.900 3.050 4.750 4.174 3.654 4.763 0.013 13 0 "[ . 1 . ]" 2 130 1 63 GLU HA 1 66 LYS H 3.400 . 5.500 3.579 2.866 3.969 . 0 0 "[ . 1 . ]" 2 131 1 64 GLU HA 1 66 LYS H 4.400 3.200 5.600 4.482 3.420 4.901 . 0 0 "[ . 1 . ]" 2 132 1 65 ALA H 1 67 GLU H 4.200 3.000 5.400 4.516 3.980 5.115 . 0 0 "[ . 1 . ]" 2 133 1 67 GLU H 1 69 ARG H 3.900 3.000 5.400 2.738 1.842 3.617 1.158 8 10 "[ -**.* + * ** . * *]" 2 134 1 65 ALA HA 1 69 ARG H 4.200 3.000 5.400 4.606 3.584 5.578 0.178 15 0 "[ . 1 . ]" 2 135 1 68 PRO HA 1 70 ASN H 4.400 3.200 5.600 4.421 3.912 4.960 . 0 0 "[ . 1 . ]" 2 136 1 70 ASN H 1 72 GLU H 3.900 3.000 5.400 4.957 4.232 5.390 . 0 0 "[ . 1 . ]" 2 137 1 71 GLU HA 1 73 LYS H 4.400 3.200 5.600 3.971 3.247 4.597 . 0 0 "[ . 1 . ]" 2 138 1 73 LYS H 1 75 LYS H 3.900 3.050 4.750 3.964 3.793 4.129 . 0 0 "[ . 1 . ]" 2 139 1 75 LYS H 1 76 GLN H 2.650 . 3.400 2.783 2.526 2.944 . 0 0 "[ . 1 . ]" 2 140 1 75 LYS H 1 77 ALA H 3.900 3.050 4.750 3.980 3.395 4.336 . 0 0 "[ . 1 . ]" 2 141 1 76 GLN H 1 78 LYS H 3.900 3.050 4.750 4.154 2.573 4.460 0.477 4 0 "[ . 1 . ]" 2 142 1 73 LYS HA 1 77 ALA H 4.200 3.000 5.400 4.408 3.980 4.740 . 0 0 "[ . 1 . ]" 2 143 1 74 VAL HA 1 77 ALA H 3.400 . 5.500 3.567 2.996 5.083 . 0 0 "[ . 1 . ]" 2 144 1 75 LYS HA 1 77 ALA H 4.400 3.200 5.600 3.922 3.174 4.165 0.026 4 0 "[ . 1 . ]" 2 145 1 77 ALA H 1 79 ALA H 3.900 3.000 5.400 4.250 3.809 6.523 1.123 4 1 "[ +. 1 . ]" 2 146 1 74 VAL HA 1 78 LYS H 4.200 3.000 5.400 4.352 3.960 4.724 . 0 0 "[ . 1 . ]" 2 147 1 75 LYS HA 1 78 LYS H 3.400 . 5.500 3.200 2.349 5.920 0.420 4 0 "[ . 1 . ]" 2 148 1 76 GLN HA 1 78 LYS H 4.400 3.200 5.600 4.498 4.109 4.681 . 0 0 "[ . 1 . ]" 2 149 1 78 LYS H 1 80 GLU H 3.900 3.050 4.750 4.256 3.780 6.235 1.485 4 1 "[ +. 1 . ]" 2 150 1 75 LYS HA 1 79 ALA H 4.200 3.000 5.400 4.285 3.644 7.744 2.344 4 1 "[ +. 1 . ]" 2 151 1 76 GLN HA 1 79 ALA H 3.400 . 5.500 3.607 3.044 3.899 . 0 0 "[ . 1 . ]" 2 152 1 77 ALA HA 1 79 ALA H 4.400 3.200 5.600 4.386 4.013 4.716 . 0 0 "[ . 1 . ]" 2 153 1 79 ALA H 1 81 VAL H 4.200 3.050 4.750 4.626 4.083 9.276 4.526 4 1 "[ +. 1 . ]" 2 154 1 78 LYS HA 1 80 GLU H 4.400 3.200 5.600 4.059 3.559 4.293 . 0 0 "[ . 1 . ]" 2 155 1 80 GLU H 1 82 GLU H 3.900 3.050 4.750 3.909 3.642 4.174 . 0 0 "[ . 1 . ]" 2 156 1 78 LYS HA 1 81 VAL H 3.400 . 5.500 3.326 2.732 5.897 0.397 4 0 "[ . 1 . ]" 2 157 1 79 ALA HA 1 81 VAL H 4.400 3.200 5.600 4.737 4.439 4.911 . 0 0 "[ . 1 . ]" 2 158 1 81 VAL H 1 83 SER H 3.900 3.050 4.750 4.426 4.087 8.107 3.357 4 1 "[ +. 1 . ]" 2 159 1 79 ALA HA 1 82 GLU H 3.400 . 5.500 3.617 3.178 4.856 . 0 0 "[ . 1 . ]" 2 160 1 80 GLU HA 1 82 GLU H 4.400 3.200 5.600 4.327 3.922 4.538 . 0 0 "[ . 1 . ]" 2 161 1 82 GLU H 1 84 LYS H 3.900 3.000 5.400 4.243 4.004 4.464 . 0 0 "[ . 1 . ]" 2 162 1 79 ALA HA 1 83 SER H 4.200 3.000 5.400 4.699 4.022 6.985 1.585 4 1 "[ +. 1 . ]" 2 163 1 81 VAL HA 1 83 SER H 4.400 3.200 5.600 4.294 3.518 9.693 4.093 4 1 "[ +. 1 . ]" 2 164 1 83 SER H 1 85 LYS H 3.900 3.000 5.400 4.397 3.817 10.369 4.969 4 1 "[ +. 1 . ]" 2 165 1 81 VAL HA 1 84 LYS H 3.400 . 5.500 3.422 2.426 8.619 3.119 4 1 "[ +. 1 . ]" 2 166 1 84 LYS H 1 86 ALA H 3.900 3.000 5.400 4.180 4.022 4.368 . 0 0 "[ . 1 . ]" 2 167 1 81 VAL HA 1 85 LYS H 4.200 3.000 5.400 3.827 3.517 4.161 . 0 0 "[ . 1 . ]" 2 168 1 83 SER HA 1 85 LYS H 4.400 3.200 5.600 4.957 4.507 10.921 5.321 4 1 "[ +. 1 . ]" 2 169 1 85 LYS H 1 87 GLU H 3.900 3.000 5.400 4.534 4.083 9.087 3.687 4 1 "[ +. 1 . ]" 2 170 1 83 SER HA 1 86 ALA H 3.400 . 5.500 3.542 3.259 3.808 . 0 0 "[ . 1 . ]" 2 171 1 86 ALA H 1 88 ALA H 3.900 3.000 5.400 4.676 4.281 9.300 3.900 4 1 "[ +. 1 . ]" 2 172 1 83 SER HA 1 87 GLU H 4.200 3.000 5.400 4.206 3.742 4.594 . 0 0 "[ . 1 . ]" 2 173 1 85 LYS HA 1 87 GLU H 4.400 3.200 5.600 4.838 4.185 10.961 5.361 4 1 "[ +. 1 . ]" 2 174 1 87 GLU H 1 89 THR H 3.900 3.050 4.750 4.693 4.116 11.743 6.993 4 1 "[ +. 1 . ]" 2 175 1 85 LYS HA 1 88 ALA H 3.400 . 5.500 3.468 3.067 3.783 . 0 0 "[ . 1 . ]" 2 176 1 88 ALA H 1 90 ARG H 3.900 3.000 5.400 4.176 3.832 4.293 . 0 0 "[ . 1 . ]" 2 177 1 85 LYS HA 1 89 THR H 4.200 3.000 5.400 3.800 3.568 3.922 . 0 0 "[ . 1 . ]" 2 178 1 86 ALA HA 1 89 THR H 3.400 2.550 4.250 3.671 3.429 3.930 . 0 0 "[ . 1 . ]" 2 179 1 87 GLU HA 1 89 THR H 4.400 3.200 5.600 4.914 4.179 11.852 6.252 4 1 "[ +. 1 . ]" 2 180 1 89 THR H 1 91 LEU H 3.900 . 6.000 4.128 3.873 4.367 . 0 0 "[ . 1 . ]" 2 181 1 86 ALA HA 1 90 ARG H 4.200 3.000 5.400 4.095 3.850 4.439 . 0 0 "[ . 1 . ]" 2 182 1 87 GLU HA 1 90 ARG H 3.400 . 5.500 3.701 2.507 11.276 5.776 4 1 "[ +. 1 . ]" 2 183 1 90 ARG H 1 91 LEU H 2.650 . 3.500 2.636 2.442 2.843 . 0 0 "[ . 1 . ]" 2 184 1 90 ARG H 1 92 GLU H 3.900 3.000 5.400 3.966 3.824 4.141 . 0 0 "[ . 1 . ]" 2 185 1 90 ARG H 1 93 LYS H 4.800 2.700 6.900 4.846 4.613 5.119 . 0 0 "[ . 1 . ]" 2 186 1 91 LEU H 1 93 LYS H 3.900 3.150 4.650 4.149 3.869 4.670 0.020 14 0 "[ . 1 . ]" 2 187 1 89 THR HA 1 92 GLU H 3.400 . 5.500 2.958 2.704 3.130 . 0 0 "[ . 1 . ]" 2 188 1 92 GLU H 1 94 ILE H 3.900 3.000 5.400 4.127 3.927 4.418 . 0 0 "[ . 1 . ]" 2 189 1 93 LYS H 1 95 LYS H 3.900 3.050 4.750 4.467 4.008 4.698 . 0 0 "[ . 1 . ]" 2 190 1 92 GLU HA 1 94 ILE H 4.400 3.200 5.600 4.317 3.869 4.758 . 0 0 "[ . 1 . ]" 2 191 1 94 ILE H 1 96 THR H 3.900 3.000 5.400 3.936 3.436 4.268 . 0 0 "[ . 1 . ]" 2 192 1 94 ILE H 1 98 ARG H 6.000 4.400 7.600 6.037 5.792 6.321 . 0 0 "[ . 1 . ]" 2 193 1 92 GLU HA 1 95 LYS H 3.400 . 5.500 3.568 3.251 3.758 . 0 0 "[ . 1 . ]" 2 194 1 95 LYS H 1 97 ASP H 3.900 3.000 5.400 4.305 4.156 4.393 . 0 0 "[ . 1 . ]" 2 195 1 92 GLU HA 1 96 THR H 4.200 3.000 5.400 4.412 4.163 4.651 . 0 0 "[ . 1 . ]" 2 196 1 93 LYS HA 1 96 THR H 3.400 . 5.500 3.404 3.004 3.676 . 0 0 "[ . 1 . ]" 2 197 1 96 THR H 1 98 ARG H 3.900 3.050 4.750 4.095 3.836 4.302 . 0 0 "[ . 1 . ]" 2 198 1 95 LYS HA 1 97 ASP H 4.400 3.200 5.600 4.382 4.010 4.681 . 0 0 "[ . 1 . ]" 2 199 1 97 ASP H 1 99 LYS H 3.900 3.050 4.750 4.195 3.739 4.454 . 0 0 "[ . 1 . ]" 2 200 1 95 LYS HA 1 98 ARG H 3.400 . 5.500 3.460 3.099 3.806 . 0 0 "[ . 1 . ]" 2 201 1 96 THR HA 1 98 ARG H 4.400 3.200 5.600 4.541 4.162 4.753 . 0 0 "[ . 1 . ]" 2 202 1 98 ARG H 1 100 LYS H 3.900 3.050 4.750 4.406 4.253 4.746 . 0 0 "[ . 1 . ]" 2 203 1 95 LYS HA 1 99 LYS H 4.200 3.000 5.400 3.993 3.672 4.451 . 0 0 "[ . 1 . ]" 2 204 1 99 LYS H 1 101 ALA H 3.900 3.150 4.650 4.310 4.134 4.474 . 0 0 "[ . 1 . ]" 2 205 1 96 THR HA 1 100 LYS H 4.200 3.000 5.400 3.978 3.751 4.188 . 0 0 "[ . 1 . ]" 2 206 1 97 ASP HA 1 100 LYS H 3.400 . 5.500 3.537 3.325 3.834 . 0 0 "[ . 1 . ]" 2 207 1 97 ASP HA 1 101 ALA H 4.200 3.000 5.400 4.114 3.822 4.709 . 0 0 "[ . 1 . ]" 2 208 1 105 ALA H 1 106 LYS H 2.650 . 3.500 2.825 2.326 3.662 0.162 3 0 "[ . 1 . ]" 2 209 1 107 ARG H 1 108 LYS H 2.650 . 3.500 3.439 3.037 3.728 0.228 16 0 "[ . 1 . ]" 2 210 1 108 LYS H 1 110 ALA H 4.200 3.000 5.400 4.363 3.180 5.105 . 0 0 "[ . 1 . ]" 2 211 1 107 ARG HA 1 110 ALA H 3.400 . 5.500 4.891 4.058 5.610 0.110 19 0 "[ . 1 . ]" 2 212 1 110 ALA H 1 112 GLU H 4.200 3.000 5.400 4.181 2.473 5.197 0.527 17 1 "[ . 1 . + ]" 2 213 1 108 LYS HA 1 111 GLU H 3.400 . 5.500 4.441 3.426 5.633 0.133 1 0 "[ . 1 . ]" 2 214 1 112 GLU H 1 114 LYS H 4.200 3.000 5.400 4.424 3.075 5.233 . 0 0 "[ . 1 . ]" 2 215 1 111 GLU H 1 113 ASP H 4.200 3.000 5.400 4.480 3.562 4.922 . 0 0 "[ . 1 . ]" 2 216 1 112 GLU HA 1 114 LYS H 4.400 3.200 5.600 4.004 3.282 4.733 . 0 0 "[ . 1 . ]" 2 217 1 114 LYS H 1 115 VAL H 2.650 . 3.400 2.610 2.243 3.072 . 0 0 "[ . 1 . ]" 2 218 1 113 ASP HA 1 115 VAL H 4.400 3.200 5.600 4.479 3.598 5.194 . 0 0 "[ . 1 . ]" 2 219 1 115 VAL H 1 117 GLU H 4.200 3.000 5.400 4.394 3.908 4.796 . 0 0 "[ . 1 . ]" 2 220 1 113 ASP HA 1 116 LYS H 3.400 . 5.500 4.097 3.338 4.439 . 0 0 "[ . 1 . ]" 2 221 1 115 VAL HA 1 117 GLU H 4.400 3.200 5.600 4.036 3.528 4.644 . 0 0 "[ . 1 . ]" 2 222 1 114 LYS HA 1 118 LYS H 4.200 3.000 5.400 4.471 3.717 5.481 0.081 18 0 "[ . 1 . ]" 2 223 1 115 VAL HA 1 118 LYS H 3.400 . 5.500 3.477 2.843 5.324 . 0 0 "[ . 1 . ]" 2 stop_ save_
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