data_nef_c30099_5k5g save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5K5G stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 38 CYS SG 3 38 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 LYS start . . 2 A 2 CYS middle . . 3 A 3 ASN middle . . 4 A 4 THR middle . . 5 A 5 ALA middle . . 6 A 6 THR middle . . 7 A 7 CYS middle . . 8 A 8 ALA middle . . 9 A 9 THR middle . . 10 A 10 GLN middle . . 11 A 11 ARG middle . . 12 A 12 LEU middle . . 13 A 13 ALA middle . . 14 A 14 ASN middle . . 15 A 15 PHE middle . . 16 A 16 LEU middle . . 17 A 17 VAL middle . . 18 A 18 HIS middle . . 19 A 19 SER middle . . 20 A 20 SER middle . . 21 A 21 ASN middle . . 22 A 22 ASN middle . . 23 A 23 PHE middle . . 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 THR middle . . 31 A 31 ASN middle . . 32 A 32 VAL middle . . 33 A 33 GLY middle . false 34 A 34 SER middle . . 35 A 35 ASN middle . . 36 A 36 THR middle . . 37 A 37 TYR end . . 38 B -9 MET start . . 39 B -8 HIS middle . . 40 B -7 HIS middle . . 41 B -6 HIS middle . . 42 B -5 HIS middle . . 43 B -4 HIS middle . . 44 B -3 HIS middle . . 45 B -2 VAL middle . . 46 B -1 ASN middle . . 47 B 0 SER middle . . 48 B 1 VAL middle . . 49 B 2 ASP middle . . 50 B 3 ASN middle . . 51 B 4 LYS middle . . 52 B 5 PHE middle . . 53 B 6 ASN middle . . 54 B 7 LYS middle . . 55 B 8 GLU middle . . 56 B 9 MET middle . . 57 B 10 GLU middle . . 58 B 11 SER middle . . 59 B 12 ALA middle . . 60 B 13 GLY middle . false 61 B 14 GLY middle . false 62 B 15 GLU middle . . 63 B 16 ILE middle . . 64 B 17 VAL middle . . 65 B 18 TYR middle . . 66 B 19 LEU middle . . 67 B 20 PRO middle . false 68 B 21 ASN middle . . 69 B 22 LEU middle . . 70 B 23 ASN middle . . 71 B 24 PRO middle . false 72 B 25 ASP middle . . 73 B 26 GLN middle . . 74 B 27 LEU middle . . 75 B 28 CYS middle -HG . 76 B 29 ALA middle . . 77 B 30 PHE middle . . 78 B 31 ILE middle . . 79 B 32 HIS middle . . 80 B 33 SER middle . . 81 B 34 ILE middle . . 82 B 35 HIS middle . . 83 B 36 ASP middle . . 84 B 37 ASP middle . . 85 B 38 PRO middle . false 86 B 39 SER middle . . 87 B 40 GLN middle . . 88 B 41 SER middle . . 89 B 42 ALA middle . . 90 B 43 ASN middle . . 91 B 44 LEU middle . . 92 B 45 LEU middle . . 93 B 46 ALA middle . . 94 B 47 GLU middle . . 95 B 48 ALA middle . . 96 B 49 LYS middle . . 97 B 50 LYS middle . . 98 B 51 LEU middle . . 99 B 52 ASN middle . . 100 B 53 ASP middle . . 101 B 54 ALA middle . . 102 B 55 GLN middle . . 103 B 56 ALA middle . . 104 B 57 PRO middle . false 105 B 58 LYS middle . . 106 B 59 TRP end . . 107 C -9 MET start . . 108 C -8 HIS middle . . 109 C -7 HIS middle . . 110 C -6 HIS middle . . 111 C -5 HIS middle . . 112 C -4 HIS middle . . 113 C -3 HIS middle . . 114 C -2 VAL middle . . 115 C -1 ASN middle . . 116 C 0 SER middle . . 117 C 1 VAL middle . . 118 C 2 ASP middle . . 119 C 3 ASN middle . . 120 C 4 LYS middle . . 121 C 5 PHE middle . . 122 C 6 ASN middle . . 123 C 7 LYS middle . . 124 C 8 GLU middle . . 125 C 9 MET middle . . 126 C 10 GLU middle . . 127 C 11 SER middle . . 128 C 12 ALA middle . . 129 C 13 GLY middle . false 130 C 14 GLY middle . false 131 C 15 GLU middle . . 132 C 16 ILE middle . . 133 C 17 VAL middle . . 134 C 18 TYR middle . . 135 C 19 LEU middle . . 136 C 20 PRO middle . false 137 C 21 ASN middle . . 138 C 22 LEU middle . . 139 C 23 ASN middle . . 140 C 24 PRO middle . false 141 C 25 ASP middle . . 142 C 26 GLN middle . . 143 C 27 LEU middle . . 144 C 28 CYS middle -HG . 145 C 29 ALA middle . . 146 C 30 PHE middle . . 147 C 31 ILE middle . . 148 C 32 HIS middle . . 149 C 33 SER middle . . 150 C 34 ILE middle . . 151 C 35 HIS middle . . 152 C 36 ASP middle . . 153 C 37 ASP middle . . 154 C 38 PRO middle . false 155 C 39 SER middle . . 156 C 40 GLN middle . . 157 C 41 SER middle . . 158 C 42 ALA middle . . 159 C 43 ASN middle . . 160 C 44 LEU middle . . 161 C 45 LEU middle . . 162 C 46 ALA middle . . 163 C 47 GLU middle . . 164 C 48 ALA middle . . 165 C 49 LYS middle . . 166 C 50 LYS middle . . 167 C 51 LEU middle . . 168 C 52 ASN middle . . 169 C 53 ASP middle . . 170 C 54 ALA middle . . 171 C 55 GLN middle . . 172 C 56 ALA middle . . 173 C 57 PRO middle . false 174 C 58 LYS middle . . 175 C 59 TRP end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 10 GLN H H 1 8.228 0.001 A 10 GLN HA H 1 4.392 0.012 A 10 GLN HBx H 1 1.976 0.02 A 10 GLN HBy H 1 2.040 0.02 A 10 GLN HE21 H 1 6.842 . A 10 GLN HE22 H 1 7.470 . A 10 GLN HGx H 1 2.314 0.006 A 10 GLN HGy H 1 2.314 0.006 A 10 GLN CA C 13 55.777 0.016 A 10 GLN CB C 13 30.099 0.032 A 10 GLN CG C 13 33.933 0.031 A 10 GLN N N 15 122.695 0.011 A 11 ARG H H 1 8.320 0.002 A 11 ARG HA H 1 4.515 0.004 A 11 ARG HBx H 1 1.688 0.007 A 11 ARG HBy H 1 1.689 0.006 A 11 ARG HDx H 1 3.099 0.007 A 11 ARG HDy H 1 3.110 0.012 A 11 ARG HGx H 1 1.515 0.006 A 11 ARG HGy H 1 1.632 0.009 A 11 ARG CA C 13 55.642 0.035 A 11 ARG CB C 13 31.826 0.021 A 11 ARG CD C 13 43.550 0.014 A 11 ARG CG C 13 27.252 0.041 A 11 ARG N N 15 121.904 0.017 A 12 LEU H H 1 8.385 0.004 A 12 LEU HA H 1 4.537 0.006 A 12 LEU HB2 H 1 1.509 0.01 A 12 LEU HB3 H 1 1.509 0.01 A 12 LEU HDx% H 1 0.847 0.009 A 12 LEU HDy% H 1 0.790 0.002 A 12 LEU HG H 1 1.497 0.003 A 12 LEU CA C 13 54.315 0.023 A 12 LEU CB C 13 44.094 0.012 A 12 LEU CDy C 13 24.999 0.003 A 12 LEU CDx C 13 24.326 0.024 A 12 LEU CG C 13 27.096 0.063 A 12 LEU N N 15 123.150 0.062 A 13 ALA H H 1 8.052 0.004 A 13 ALA HA H 1 4.895 0.008 A 13 ALA HB% H 1 1.045 0.005 A 13 ALA CA C 13 50.978 0.031 A 13 ALA CB C 13 19.994 0.031 A 13 ALA N N 15 122.453 0.016 A 14 ASN H H 1 8.472 0.01 A 14 ASN HA H 1 4.816 0.009 A 14 ASN HBx H 1 2.582 0.007 A 14 ASN HBy H 1 2.583 0.006 A 14 ASN HD21 H 1 6.711 0.003 A 14 ASN HD22 H 1 7.204 0.002 A 14 ASN C C 13 173.534 . A 14 ASN CA C 13 51.966 0.06 A 14 ASN CB C 13 42.120 0.022 A 14 ASN N N 15 118.945 0.024 A 14 ASN ND2 N 15 112.198 0.026 A 15 PHE H H 1 8.844 0.006 A 15 PHE HA H 1 5.091 0.009 A 15 PHE HBy H 1 3.086 0.008 A 15 PHE HBx H 1 2.910 0.009 A 15 PHE HDx H 1 7.342 0.005 A 15 PHE HDy H 1 7.342 0.005 A 15 PHE C C 13 173.825 . A 15 PHE CA C 13 57.999 0.078 A 15 PHE CB C 13 41.572 0.029 A 15 PHE N N 15 121.092 0.05 A 16 LEU H H 1 8.345 0.006 A 16 LEU HA H 1 5.168 . A 16 LEU HBy H 1 1.397 0.005 A 16 LEU HBx H 1 0.967 0.009 A 16 LEU HDx% H 1 0.504 0.004 A 16 LEU HDy% H 1 0.496 0.01 A 16 LEU HG H 1 1.204 0.003 A 16 LEU C C 13 173.404 . A 16 LEU CA C 13 53.488 0.03 A 16 LEU CB C 13 44.569 0.058 A 16 LEU CDy C 13 27.762 0.029 A 16 LEU CDx C 13 24.306 0.045 A 16 LEU CG C 13 25.347 0.02 A 16 LEU N N 15 119.630 0.039 A 17 VAL H H 1 8.582 0.006 A 17 VAL HA H 1 4.585 0.021 A 17 VAL HB H 1 1.781 0.009 A 17 VAL HGx% H 1 0.780 0.008 A 17 VAL HGy% H 1 0.859 0.008 A 17 VAL C C 13 173.816 . A 17 VAL CA C 13 60.262 0.046 A 17 VAL CB C 13 35.180 0.061 A 17 VAL CGy C 13 21.472 0.017 A 17 VAL CGx C 13 21.194 0.007 A 17 VAL N N 15 116.758 0.085 A 18 HIS H H 1 8.924 0.005 A 18 HIS HA H 1 5.191 0.006 A 18 HIS HBx H 1 2.865 0.005 A 18 HIS HBy H 1 3.178 0.006 A 18 HIS HD2 H 1 6.885 0.009 A 18 HIS C C 13 176.232 . A 18 HIS CA C 13 55.131 0.113 A 18 HIS CB C 13 33.944 0.069 A 18 HIS N N 15 128.307 0.044 A 19 SER H H 1 8.361 0.005 A 19 SER HA H 1 3.921 0.003 A 19 SER HB2 H 1 3.777 0.017 A 19 SER HB3 H 1 3.777 0.017 A 19 SER CA C 13 60.382 0.111 A 19 SER CB C 13 62.338 0.047 A 19 SER N N 15 121.988 0.035 A 20 SER C C 13 174.715 . A 21 ASN H H 1 8.254 0.01 A 21 ASN C C 13 173.629 . A 21 ASN CA C 13 53.115 0.005 A 21 ASN CB C 13 38.633 . A 21 ASN N N 15 118.657 0.066 A 22 ASN H H 1 7.651 0.003 A 22 ASN HA H 1 4.287 0.0 A 22 ASN HB2 H 1 2.527 0.006 A 22 ASN HB3 H 1 2.527 0.006 A 22 ASN C C 13 173.705 . A 22 ASN CA C 13 53.065 0.071 A 22 ASN CB C 13 39.526 0.065 A 22 ASN N N 15 116.780 0.048 A 23 PHE H H 1 8.809 0.008 A 23 PHE HA H 1 5.102 0.003 A 23 PHE HBx H 1 3.077 0.01 A 23 PHE HBy H 1 3.089 0.01 A 23 PHE HDx H 1 7.273 0.004 A 23 PHE HDy H 1 7.273 0.004 A 23 PHE C C 13 175.312 . A 23 PHE CA C 13 58.086 0.068 A 23 PHE CB C 13 41.577 0.024 A 23 PHE N N 15 123.706 0.095 A 24 GLY H H 1 8.431 0.005 A 24 GLY HAx H 1 3.447 0.012 A 24 GLY HAy H 1 4.469 0.012 A 24 GLY C C 13 169.704 . A 24 GLY CA C 13 45.568 0.041 A 24 GLY N N 15 111.092 0.05 A 25 ALA H H 1 8.492 0.007 A 25 ALA HA H 1 5.177 0.006 A 25 ALA HB% H 1 1.124 0.006 A 25 ALA C C 13 174.375 . A 25 ALA CA C 13 50.067 0.035 A 25 ALA CB C 13 23.264 0.061 A 25 ALA N N 15 119.105 0.042 A 26 ILE H H 1 8.488 0.006 A 26 ILE HA H 1 4.710 0.003 A 26 ILE HB H 1 1.452 0.007 A 26 ILE HD1% H 1 0.690 0.003 A 26 ILE HG1y H 1 1.287 0.004 A 26 ILE HG1x H 1 0.828 0.004 A 26 ILE HG2% H 1 0.832 0.004 A 26 ILE C C 13 174.300 . A 26 ILE CA C 13 58.747 0.042 A 26 ILE CB C 13 41.831 0.056 A 26 ILE CD1 C 13 14.305 0.037 A 26 ILE CG1 C 13 28.329 0.039 A 26 ILE CG2 C 13 16.273 0.022 A 26 ILE N N 15 117.210 0.051 A 27 LEU H H 1 8.724 0.006 A 27 LEU HA H 1 4.903 0.005 A 27 LEU HBx H 1 1.419 0.012 A 27 LEU HBy H 1 1.538 0.007 A 27 LEU HDx% H 1 0.680 0.006 A 27 LEU HDy% H 1 0.794 0.007 A 27 LEU HG H 1 1.506 0.012 A 27 LEU C C 13 176.596 . A 27 LEU CA C 13 53.500 0.076 A 27 LEU CB C 13 42.612 0.026 A 27 LEU CDx C 13 24.004 0.047 A 27 LEU CDy C 13 24.995 0.015 A 27 LEU CG C 13 26.775 0.036 A 27 LEU N N 15 128.187 0.046 A 28 SER H H 1 8.799 0.007 A 28 SER HA H 1 4.581 0.005 A 28 SER HBx H 1 3.780 0.02 A 28 SER HBy H 1 3.798 0.03 A 28 SER C C 13 173.941 . A 28 SER CA C 13 57.860 0.115 A 28 SER CB C 13 64.845 0.045 A 28 SER N N 15 119.334 0.048 A 29 SER H H 1 8.612 0.004 A 29 SER HA H 1 4.719 0.008 A 29 SER HBx H 1 3.821 0.011 A 29 SER HBy H 1 3.851 0.02 A 29 SER C C 13 174.618 . A 29 SER CA C 13 58.173 0.094 A 29 SER CB C 13 64.165 0.034 A 29 SER N N 15 117.799 0.061 A 30 THR H H 1 8.296 0.003 A 30 THR HA H 1 4.358 0.007 A 30 THR HB H 1 4.178 0.002 A 30 THR HG2% H 1 1.132 0.003 A 30 THR C C 13 173.983 . A 30 THR CA C 13 61.703 0.08 A 30 THR CB C 13 69.826 0.044 A 30 THR CG2 C 13 21.653 0.01 A 30 THR N N 15 115.727 0.03 B 15 GLU H H 1 8.205 0.006 B 15 GLU HA H 1 4.328 0.006 B 15 GLU HBx H 1 1.791 0.003 B 15 GLU HBy H 1 1.867 0.002 B 15 GLU HGy H 1 2.155 0.004 B 15 GLU HGx H 1 2.086 0.004 B 15 GLU CA C 13 56.014 0.023 B 15 GLU CB C 13 31.460 0.001 B 15 GLU CG C 13 36.083 0.004 B 15 GLU N N 15 119.608 0.027 B 16 ILE H H 1 8.096 0.009 B 16 ILE HA H 1 4.357 0.009 B 16 ILE HB H 1 1.471 0.005 B 16 ILE HD1% H 1 0.817 0.01 B 16 ILE HG12 H 1 0.823 0.008 B 16 ILE HG2% H 1 0.284 0.006 B 16 ILE CA C 13 60.970 0.093 B 16 ILE CB C 13 40.266 0.019 B 16 ILE CD1 C 13 13.711 0.023 B 16 ILE CG1 C 13 28.627 0.0 B 16 ILE CG2 C 13 18.823 0.014 B 16 ILE N N 15 121.439 0.054 B 17 VAL H H 1 8.671 0.007 B 17 VAL HA H 1 4.203 0.009 B 17 VAL HB H 1 1.919 0.007 B 17 VAL HGx% H 1 0.750 0.006 B 17 VAL HGy% H 1 0.846 0.005 B 17 VAL CA C 13 61.334 0.027 B 17 VAL CB C 13 33.537 0.039 B 17 VAL CGx C 13 21.049 0.051 B 17 VAL CGy C 13 21.490 0.039 B 17 VAL N N 15 128.271 0.116 B 18 TYR H H 1 8.476 0.01 B 18 TYR HA H 1 4.526 0.014 B 18 TYR HBx H 1 2.781 0.003 B 18 TYR HBy H 1 3.032 0.002 B 18 TYR HDx H 1 7.033 0.009 B 18 TYR HDy H 1 7.033 0.009 B 18 TYR HEx H 1 6.579 0.005 B 18 TYR HEy H 1 6.579 0.005 B 18 TYR CA C 13 58.067 0.052 B 18 TYR CB C 13 39.528 0.043 B 18 TYR N N 15 127.038 0.119 B 19 LEU H H 1 8.128 0.011 B 19 LEU HA H 1 4.820 0.001 B 19 LEU HBy H 1 1.472 0.012 B 19 LEU HBx H 1 1.444 0.009 B 19 LEU HDx% H 1 0.521 0.01 B 19 LEU HDy% H 1 0.519 0.011 B 19 LEU HG H 1 1.361 0.022 B 19 LEU CA C 13 52.077 0.021 B 19 LEU CB C 13 42.938 0.034 B 19 LEU CDy C 13 25.887 0.008 B 19 LEU CDx C 13 23.060 0.037 B 19 LEU CG C 13 25.679 0.059 B 19 LEU N N 15 120.767 0.026 B 20 PRO HA H 1 4.594 0.013 B 20 PRO HB3 H 1 2.238 0.024 B 20 PRO HDx H 1 3.336 0.007 B 20 PRO HDy H 1 3.703 0.004 B 20 PRO HGy H 1 1.866 0.042 B 20 PRO HGx H 1 1.827 0.018 B 20 PRO CA C 13 64.695 0.126 B 20 PRO CB C 13 32.745 0.0 B 20 PRO CD C 13 50.922 0.09 B 20 PRO CG C 13 27.238 0.072 B 21 ASN H H 1 8.771 0.007 B 21 ASN HA H 1 4.928 0.01 B 21 ASN HBx H 1 2.724 0.019 B 21 ASN HBy H 1 2.914 0.01 B 21 ASN CA C 13 52.658 0.022 B 21 ASN CB C 13 38.804 0.019 B 21 ASN N N 15 113.297 0.068 B 22 LEU H H 1 6.931 0.015 B 22 LEU HA H 1 4.357 0.01 B 22 LEU HBy H 1 1.600 0.012 B 22 LEU HBx H 1 1.597 0.013 B 22 LEU HDx% H 1 0.783 0.008 B 22 LEU HDy% H 1 0.677 0.005 B 22 LEU HG H 1 1.651 0.023 B 22 LEU CA C 13 54.693 0.05 B 22 LEU CB C 13 42.364 0.037 B 22 LEU CDy C 13 25.534 . B 22 LEU CDx C 13 22.869 0.026 B 22 LEU CG C 13 28.139 0.088 B 22 LEU N N 15 120.437 0.079 B 23 ASN H H 1 8.847 0.007 B 23 ASN HA H 1 4.750 0.023 B 23 ASN HBy H 1 3.097 0.012 B 23 ASN HBx H 1 2.739 0.007 B 23 ASN HD21 H 1 7.624 0.011 B 23 ASN HD22 H 1 7.167 0.004 B 23 ASN CA C 13 51.358 0.002 B 23 ASN CB C 13 36.911 0.039 B 23 ASN N N 15 121.816 0.061 B 24 PRO HA H 1 3.695 0.012 B 24 PRO HBy H 1 1.118 0.007 B 24 PRO HBx H 1 1.105 0.015 B 24 PRO HDx H 1 3.268 0.014 B 24 PRO HDy H 1 3.486 0.008 B 24 PRO HGx H 1 1.276 0.005 B 24 PRO HGy H 1 1.534 0.006 B 24 PRO CA C 13 66.089 0.086 B 24 PRO CB C 13 31.545 0.026 B 24 PRO CD C 13 49.512 0.023 B 24 PRO CG C 13 27.757 0.002 B 25 ASP H H 1 7.874 0.012 B 25 ASP HA H 1 4.436 0.006 B 25 ASP HB2 H 1 2.675 0.011 B 25 ASP HB3 H 1 2.675 0.011 B 25 ASP CA C 13 57.662 0.07 B 25 ASP CB C 13 40.003 0.087 B 25 ASP N N 15 116.588 0.047 B 26 GLN H H 1 8.281 0.006 B 26 GLN HA H 1 4.049 0.0 B 26 GLN HBx H 1 1.703 0.004 B 26 GLN HBy H 1 2.446 0.004 B 26 GLN HGy H 1 2.623 0.013 B 26 GLN HGx H 1 2.312 0.032 B 26 GLN CA C 13 58.295 0.068 B 26 GLN CB C 13 28.353 0.017 B 26 GLN CG C 13 34.112 0.034 B 26 GLN N N 15 116.619 0.021 B 27 LEU H H 1 8.581 0.007 B 27 LEU HA H 1 4.034 0.005 B 27 LEU HBx H 1 1.193 0.01 B 27 LEU HBy H 1 1.664 0.006 B 27 LEU HDx% H 1 0.845 0.007 B 27 LEU HDy% H 1 0.807 0.013 B 27 LEU HG H 1 1.523 0.007 B 27 LEU CA C 13 58.167 0.023 B 27 LEU CB C 13 42.265 0.041 B 27 LEU CDx C 13 25.071 0.03 B 27 LEU CDy C 13 25.467 0.04 B 27 LEU CG C 13 27.139 0.033 B 27 LEU N N 15 121.171 0.048 B 29 ALA H H 1 8.032 0.006 B 29 ALA HA H 1 4.221 0.012 B 29 ALA HB% H 1 1.481 0.006 B 29 ALA CA C 13 55.512 0.004 B 29 ALA CB C 13 17.714 0.003 B 29 ALA N N 15 122.258 0.039 B 30 PHE H H 1 7.790 0.006 B 30 PHE HA H 1 4.484 0.004 B 30 PHE HBx H 1 3.219 0.004 B 30 PHE HBy H 1 3.219 0.004 B 30 PHE HDx H 1 7.157 0.003 B 30 PHE HDy H 1 7.157 0.003 B 30 PHE CA C 13 61.082 0.045 B 30 PHE CB C 13 38.591 0.004 B 30 PHE N N 15 120.027 0.0 B 31 ILE H H 1 8.297 0.012 B 31 ILE HA H 1 3.297 0.015 B 31 ILE HB H 1 1.752 0.008 B 31 ILE HD1% H 1 0.259 0.008 B 31 ILE HG1x H 1 0.459 0.004 B 31 ILE HG1y H 1 1.303 0.003 B 31 ILE HG2% H 1 0.529 0.006 B 31 ILE CA C 13 64.455 0.027 B 31 ILE CB C 13 37.836 0.145 B 31 ILE CD1 C 13 14.015 0.067 B 31 ILE CG1 C 13 28.646 0.062 B 31 ILE CG2 C 13 17.924 0.035 B 31 ILE N N 15 119.697 0.029 B 32 HIS H H 1 8.196 0.006 B 32 HIS HA H 1 4.057 0.012 B 32 HIS HBx H 1 3.221 0.006 B 32 HIS HBy H 1 3.221 0.006 B 32 HIS CA C 13 60.828 0.056 B 32 HIS CB C 13 28.782 0.068 B 32 HIS N N 15 117.182 0.036 B 33 SER H H 1 8.470 0.003 B 33 SER HA H 1 4.283 0.014 B 33 SER CA C 13 62.913 0.051 B 33 SER N N 15 116.850 0.021 B 34 ILE H H 1 8.025 0.009 B 34 ILE HA H 1 3.642 0.01 B 34 ILE HB H 1 1.724 0.006 B 34 ILE HD1% H 1 0.665 0.009 B 34 ILE HG1y H 1 1.208 0.013 B 34 ILE HG1x H 1 1.002 0.01 B 34 ILE HG2% H 1 0.722 0.007 B 34 ILE CA C 13 63.721 0.036 B 34 ILE CB C 13 37.355 0.055 B 34 ILE CD1 C 13 13.015 0.037 B 34 ILE CG1 C 13 28.160 0.029 B 34 ILE CG2 C 13 17.795 0.035 B 34 ILE N N 15 119.920 0.059 B 35 HIS H H 1 7.364 0.011 B 35 HIS HA H 1 4.198 0.015 B 35 HIS HBx H 1 3.278 0.022 B 35 HIS HBy H 1 3.305 0.021 B 35 HIS CA C 13 59.211 0.045 B 35 HIS CB C 13 28.959 0.11 B 35 HIS N N 15 118.069 0.046 B 36 ASP H H 1 8.409 0.007 B 36 ASP HA H 1 4.420 0.01 B 36 ASP HBx H 1 2.723 0.01 B 36 ASP HBy H 1 2.723 0.01 B 36 ASP CA C 13 56.413 0.016 B 36 ASP CB C 13 40.741 0.054 B 36 ASP N N 15 118.358 0.044 B 37 ASP H H 1 7.514 0.007 B 37 ASP HA H 1 4.955 0.003 B 37 ASP HBy H 1 2.957 0.009 B 37 ASP HBx H 1 2.422 0.011 B 37 ASP CA C 13 51.579 0.032 B 37 ASP CB C 13 40.482 0.075 B 37 ASP N N 15 115.303 0.031 B 38 PRO HA H 1 4.447 0.014 B 38 PRO HBx H 1 1.964 0.007 B 38 PRO HBy H 1 2.395 0.011 B 38 PRO HDy H 1 3.721 0.009 B 38 PRO HDx H 1 3.479 0.015 B 38 PRO HGx H 1 2.034 0.018 B 38 PRO HGy H 1 2.034 0.017 B 38 PRO CA C 13 64.612 0.052 B 38 PRO CB C 13 31.802 0.052 B 38 PRO CD C 13 50.147 0.041 B 38 PRO CG C 13 27.245 0.054 B 39 SER H H 1 8.408 0.006 B 39 SER HA H 1 4.375 0.01 B 39 SER HB2 H 1 4.024 0.01 B 39 SER HB3 H 1 4.024 0.01 B 39 SER CA C 13 61.338 0.032 B 39 SER CB C 13 62.578 . B 39 SER N N 15 115.297 0.033 B 40 GLN H H 1 7.787 0.01 B 40 GLN HA H 1 4.692 0.01 B 40 GLN HBy H 1 2.631 0.007 B 40 GLN HBx H 1 1.914 0.017 B 40 GLN HGy H 1 2.423 0.009 B 40 GLN HGx H 1 2.253 0.004 B 40 GLN CA C 13 54.814 0.03 B 40 GLN CB C 13 28.522 0.062 B 40 GLN CG C 13 33.851 0.013 B 40 GLN N N 15 120.236 0.096 B 41 SER H H 1 7.725 0.008 B 41 SER HA H 1 3.941 0.022 B 41 SER HB2 H 1 4.001 0.004 B 41 SER HB3 H 1 4.001 0.004 B 41 SER CA C 13 63.261 0.038 B 41 SER CB C 13 62.856 0.037 B 41 SER N N 15 115.615 0.034 B 42 ALA H H 1 8.628 0.006 B 42 ALA HA H 1 4.164 0.006 B 42 ALA HB% H 1 1.428 0.005 B 42 ALA CA C 13 55.802 0.033 B 42 ALA CB C 13 17.766 0.019 B 42 ALA N N 15 123.042 0.087 B 43 ASN H H 1 7.967 0.011 B 43 ASN HA H 1 4.548 0.007 B 43 ASN HBx H 1 2.895 0.005 B 43 ASN HBy H 1 2.895 0.005 B 43 ASN CA C 13 55.900 0.04 B 43 ASN CB C 13 38.235 0.037 B 43 ASN N N 15 118.633 0.07 B 44 LEU H H 1 8.698 0.013 B 44 LEU HA H 1 4.177 0.003 B 44 LEU HBy H 1 1.947 0.008 B 44 LEU HBx H 1 1.423 0.022 B 44 LEU HDx% H 1 0.996 0.008 B 44 LEU HDy% H 1 0.706 0.012 B 44 LEU HG H 1 1.863 0.009 B 44 LEU CA C 13 57.951 0.009 B 44 LEU CB C 13 42.223 0.043 B 44 LEU CDx C 13 22.823 0.039 B 44 LEU CDy C 13 26.199 0.052 B 44 LEU CG C 13 27.278 0.004 B 44 LEU N N 15 121.643 0.07 B 45 LEU H H 1 8.938 0.007 B 45 LEU HA H 1 4.122 0.02 B 45 LEU HBy H 1 1.868 0.001 B 45 LEU HBx H 1 1.838 0.009 B 45 LEU HDx% H 1 0.882 0.008 B 45 LEU HDy% H 1 0.842 0.002 B 45 LEU HG H 1 1.657 0.004 B 45 LEU CA C 13 58.074 0.041 B 45 LEU CB C 13 41.516 0.029 B 45 LEU CDy C 13 25.422 0.01 B 45 LEU CDx C 13 23.831 0.021 B 45 LEU CG C 13 27.596 0.043 B 45 LEU N N 15 122.085 0.078 B 46 ALA H H 1 7.792 0.006 B 46 ALA HA H 1 4.081 0.006 B 46 ALA HB% H 1 1.571 0.005 B 46 ALA CA C 13 55.464 0.029 B 46 ALA CB C 13 17.751 0.015 B 46 ALA N N 15 121.477 0.066 B 47 GLU H H 1 8.001 0.006 B 47 GLU HA H 1 4.042 0.01 B 47 GLU HBy H 1 2.176 0.005 B 47 GLU HBx H 1 2.175 0.005 B 47 GLU HGx H 1 2.405 0.007 B 47 GLU HGy H 1 2.410 0.007 B 47 GLU CA C 13 58.974 0.04 B 47 GLU CB C 13 29.485 0.047 B 47 GLU CG C 13 36.062 0.027 B 47 GLU N N 15 118.387 0.065 B 48 ALA H H 1 8.200 0.007 B 48 ALA HA H 1 4.005 0.012 B 48 ALA HB% H 1 0.852 0.008 B 48 ALA CA C 13 55.092 0.025 B 48 ALA CB C 13 16.877 0.044 B 48 ALA N N 15 125.115 0.114 B 49 LYS H H 1 8.466 0.007 B 49 LYS HA H 1 3.674 0.006 B 49 LYS HBy H 1 1.964 0.006 B 49 LYS HBx H 1 1.742 0.006 B 49 LYS HDy H 1 1.744 0.006 B 49 LYS HDx H 1 1.621 0.02 B 49 LYS HE2 H 1 3.050 0.012 B 49 LYS HE3 H 1 3.050 0.012 B 49 LYS HGy H 1 1.483 0.04 B 49 LYS HGx H 1 1.434 0.013 B 49 LYS CA C 13 59.408 0.045 B 49 LYS CB C 13 32.461 0.035 B 49 LYS CD C 13 29.331 0.109 B 49 LYS CE C 13 42.035 0.257 B 49 LYS CG C 13 25.411 0.055 B 49 LYS N N 15 118.710 0.038 B 50 LYS H H 1 7.634 0.009 B 50 LYS HA H 1 4.083 0.004 B 50 LYS HB2 H 1 1.909 0.001 B 50 LYS HB3 H 1 1.909 0.001 B 50 LYS CA C 13 59.702 0.039 B 50 LYS CB C 13 32.516 0.03 B 50 LYS N N 15 119.802 0.058 B 51 LEU H H 1 7.974 0.008 B 51 LEU HA H 1 4.111 0.009 B 51 LEU HBx H 1 1.564 0.009 B 51 LEU HBy H 1 1.770 0.001 B 51 LEU HDx% H 1 0.837 0.013 B 51 LEU HDy% H 1 0.849 0.009 B 51 LEU HG H 1 1.347 0.008 B 51 LEU CA C 13 57.562 0.017 B 51 LEU CB C 13 42.056 0.043 B 51 LEU CDy C 13 24.919 . B 51 LEU CDx C 13 23.268 0.049 B 51 LEU CG C 13 26.678 0.026 B 51 LEU N N 15 122.812 0.097 B 52 ASN H H 1 8.516 0.007 B 52 ASN HA H 1 3.812 0.018 B 52 ASN HBx H 1 2.380 0.006 B 52 ASN HBy H 1 3.072 0.003 B 52 ASN CA C 13 58.010 0.089 B 52 ASN CB C 13 41.175 0.168 B 52 ASN N N 15 117.295 0.119 B 53 ASP H H 1 8.340 0.007 B 53 ASP HA H 1 4.425 0.015 B 53 ASP HBx H 1 2.721 0.005 B 53 ASP HBy H 1 2.721 0.005 B 53 ASP CA C 13 56.838 0.042 B 53 ASP CB C 13 39.886 0.044 B 53 ASP N N 15 119.654 0.056 B 54 ALA H H 1 8.064 0.007 B 54 ALA HA H 1 4.229 0.006 B 54 ALA HB% H 1 1.555 0.004 B 54 ALA CA C 13 54.149 0.018 B 54 ALA CB C 13 18.428 0.028 B 54 ALA N N 15 123.340 0.093 B 55 GLN H H 1 7.456 0.007 B 55 GLN HA H 1 4.377 0.007 B 55 GLN CA C 13 54.999 0.021 B 55 GLN CB C 13 28.317 . B 55 GLN N N 15 115.223 0.063 B 56 ALA H H 1 7.129 0.014 B 56 ALA HA H 1 4.310 0.004 B 56 ALA HB% H 1 1.387 0.004 B 56 ALA CA C 13 50.944 0.014 B 56 ALA CB C 13 17.878 0.001 B 56 ALA N N 15 124.154 0.021 C 14 GLY H H 1 8.100 0.001 C 14 GLY HA3 H 1 3.945 0.007 C 14 GLY CA C 13 45.110 0.003 C 14 GLY N N 15 108.144 0.005 C 15 GLU H H 1 8.188 0.007 C 15 GLU HA H 1 4.358 0.004 C 15 GLU HBy H 1 1.969 0.004 C 15 GLU HBx H 1 1.860 0.002 C 15 GLU HGx H 1 2.099 0.006 C 15 GLU HGy H 1 2.185 0.003 C 15 GLU CA C 13 55.716 0.03 C 15 GLU CB C 13 31.175 0.011 C 15 GLU CG C 13 36.094 0.025 C 15 GLU N N 15 120.225 0.091 C 16 ILE H H 1 8.210 0.006 C 16 ILE HA H 1 3.916 0.013 C 16 ILE HB H 1 1.297 0.005 C 16 ILE HD1% H 1 0.768 0.005 C 16 ILE HG12 H 1 0.545 0.017 C 16 ILE HG2% H 1 -0.081 0.009 C 16 ILE CA C 13 62.060 0.022 C 16 ILE CB C 13 39.212 0.042 C 16 ILE CD1 C 13 13.811 0.033 C 16 ILE CG1 C 13 28.857 0.03 C 16 ILE CG2 C 13 16.735 0.019 C 16 ILE N N 15 123.835 0.053 C 17 VAL H H 1 8.806 0.01 C 17 VAL HA H 1 4.069 0.017 C 17 VAL HB H 1 1.964 0.01 C 17 VAL HGx% H 1 0.747 0.003 C 17 VAL HGy% H 1 0.860 0.014 C 17 VAL CA C 13 61.133 0.015 C 17 VAL CB C 13 33.040 0.083 C 17 VAL CGy C 13 21.013 0.038 C 17 VAL CGx C 13 20.761 0.09 C 17 VAL N N 15 129.921 0.179 C 18 TYR H H 1 8.368 0.008 C 18 TYR HA H 1 4.828 0.005 C 18 TYR HBx H 1 2.646 0.002 C 18 TYR HBy H 1 3.001 0.003 C 18 TYR HDx H 1 6.826 0.009 C 18 TYR HDy H 1 6.826 0.009 C 18 TYR HEx H 1 6.416 0.005 C 18 TYR HEy H 1 6.416 0.005 C 18 TYR CA C 13 59.101 0.029 C 18 TYR CB C 13 39.700 0.046 C 18 TYR N N 15 125.385 0.095 C 19 LEU H H 1 8.350 0.006 C 19 LEU HA H 1 4.834 0.013 C 19 LEU HBx H 1 1.520 0.016 C 19 LEU HBy H 1 1.521 0.014 C 19 LEU HDx% H 1 0.524 0.008 C 19 LEU HDy% H 1 0.524 0.007 C 19 LEU HG H 1 1.385 0.006 C 19 LEU CA C 13 52.009 0.025 C 19 LEU CB C 13 42.962 0.02 C 19 LEU CDy C 13 25.605 0.014 C 19 LEU CDx C 13 23.008 0.009 C 19 LEU CG C 13 25.668 0.061 C 19 LEU N N 15 119.671 0.039 C 20 PRO HA H 1 4.629 0.004 C 20 PRO HB3 H 1 2.221 0.015 C 20 PRO HDy H 1 3.746 0.002 C 20 PRO HDx H 1 3.369 0.008 C 20 PRO HGy H 1 1.921 0.012 C 20 PRO HGx H 1 1.832 0.012 C 20 PRO CA C 13 64.720 0.058 C 20 PRO CB C 13 32.599 0.0 C 20 PRO CD C 13 50.907 0.017 C 20 PRO CG C 13 27.076 . C 21 ASN H H 1 8.886 0.007 C 21 ASN HA H 1 4.915 0.011 C 21 ASN HBy H 1 2.919 0.019 C 21 ASN HBx H 1 2.719 0.009 C 21 ASN CA C 13 52.643 0.03 C 21 ASN CB C 13 38.742 0.075 C 21 ASN N N 15 113.550 0.065 C 22 LEU H H 1 6.988 0.009 C 22 LEU HA H 1 4.375 0.017 C 22 LEU HBx H 1 1.665 0.008 C 22 LEU HBy H 1 1.665 0.008 C 22 LEU HDx% H 1 0.679 0.007 C 22 LEU HDy% H 1 0.789 0.012 C 22 LEU HG H 1 1.671 0.013 C 22 LEU CA C 13 54.617 0.091 C 22 LEU CB C 13 42.044 0.025 C 22 LEU CDx C 13 22.836 0.015 C 22 LEU CDy C 13 25.410 . C 22 LEU CG C 13 28.143 0.075 C 22 LEU N N 15 120.568 0.064 C 23 ASN H H 1 8.821 0.009 C 23 ASN HA H 1 4.771 0.019 C 23 ASN HBx H 1 2.740 0.008 C 23 ASN HBy H 1 3.104 0.006 C 23 ASN HD21 H 1 7.167 0.005 C 23 ASN HD22 H 1 7.615 0.002 C 23 ASN CA C 13 51.419 0.04 C 23 ASN CB C 13 36.903 0.042 C 23 ASN N N 15 121.798 0.159 C 24 PRO HA H 1 3.704 0.011 C 24 PRO HBy H 1 1.125 0.016 C 24 PRO HBx H 1 1.102 0.018 C 24 PRO HDy H 1 3.485 0.007 C 24 PRO HDx H 1 3.268 0.014 C 24 PRO HGx H 1 1.281 0.002 C 24 PRO HGy H 1 1.537 0.011 C 24 PRO CA C 13 66.127 0.062 C 24 PRO CB C 13 31.504 0.083 C 24 PRO CD C 13 49.512 0.023 C 24 PRO CG C 13 27.762 0.003 C 25 ASP H H 1 7.860 0.004 C 25 ASP HA H 1 4.425 0.009 C 25 ASP HBy H 1 2.679 0.01 C 25 ASP HBx H 1 2.675 0.011 C 25 ASP CA C 13 57.649 0.06 C 25 ASP CB C 13 40.003 0.087 C 25 ASP N N 15 116.662 0.051 C 26 GLN H H 1 8.255 0.022 C 26 GLN HA H 1 4.043 . C 26 GLN HBy H 1 2.446 0.004 C 26 GLN HBx H 1 1.703 0.003 C 26 GLN HGx H 1 2.313 0.037 C 26 GLN HGy H 1 2.624 0.014 C 26 GLN CA C 13 58.280 0.07 C 26 GLN CB C 13 28.352 0.017 C 26 GLN CG C 13 34.092 0.039 C 26 GLN N N 15 116.360 0.346 C 27 LEU H H 1 8.500 0.004 C 27 LEU HA H 1 4.038 0.009 C 27 LEU HBy H 1 1.658 0.007 C 27 LEU HBx H 1 1.201 0.01 C 27 LEU HDx% H 1 0.846 0.008 C 27 LEU HDy% H 1 0.811 0.008 C 27 LEU HG H 1 1.520 0.006 C 27 LEU CA C 13 58.180 0.036 C 27 LEU CB C 13 42.286 0.022 C 27 LEU CDx C 13 25.039 0.041 C 27 LEU CDy C 13 25.487 0.04 C 27 LEU CG C 13 27.154 0.034 C 27 LEU N N 15 121.174 0.054 C 29 ALA H H 1 8.035 0.01 C 29 ALA HA H 1 4.233 0.013 C 29 ALA HB% H 1 1.480 0.006 C 29 ALA CA C 13 55.504 0.014 C 29 ALA CB C 13 17.747 0.062 C 29 ALA N N 15 122.061 0.033 C 30 PHE H H 1 7.815 0.006 C 30 PHE HA H 1 4.525 0.003 C 30 PHE HB2 H 1 3.226 0.004 C 30 PHE HB3 H 1 3.226 0.004 C 30 PHE HDx H 1 7.202 0.011 C 30 PHE HDy H 1 7.202 0.011 C 30 PHE CA C 13 60.943 0.033 C 30 PHE CB C 13 38.546 0.028 C 30 PHE N N 15 120.028 0.071 C 31 ILE H H 1 8.371 0.009 C 31 ILE HA H 1 3.244 0.008 C 31 ILE HB H 1 1.749 0.013 C 31 ILE HD1% H 1 0.261 0.005 C 31 ILE HG1y H 1 1.363 0.012 C 31 ILE HG1x H 1 0.256 0.019 C 31 ILE HG2% H 1 0.533 0.006 C 31 ILE CA C 13 65.088 0.054 C 31 ILE CB C 13 37.961 0.076 C 31 ILE CD1 C 13 14.307 0.14 C 31 ILE CG1 C 13 28.966 0.061 C 31 ILE CG2 C 13 17.906 0.024 C 31 ILE N N 15 120.225 0.054 C 32 HIS H H 1 8.274 0.008 C 32 HIS HA H 1 4.068 0.007 C 32 HIS HBx H 1 3.225 0.007 C 32 HIS HBy H 1 3.225 0.007 C 32 HIS CA C 13 60.891 0.067 C 32 HIS CB C 13 28.818 0.052 C 32 HIS N N 15 117.244 0.036 C 33 SER H H 1 8.500 0.004 C 33 SER HA H 1 4.290 0.014 C 33 SER CA C 13 62.830 0.035 C 33 SER N N 15 116.961 0.057 C 34 ILE H H 1 7.992 0.008 C 34 ILE HA H 1 3.636 0.015 C 34 ILE HB H 1 1.858 0.01 C 34 ILE HD1% H 1 0.659 0.016 C 34 ILE HG1y H 1 1.288 0.006 C 34 ILE HG1x H 1 1.049 0.012 C 34 ILE HG2% H 1 0.780 0.009 C 34 ILE CA C 13 63.702 0.15 C 34 ILE CB C 13 37.267 0.077 C 34 ILE CD1 C 13 12.961 0.031 C 34 ILE CG1 C 13 28.623 0.026 C 34 ILE CG2 C 13 17.700 0.021 C 34 ILE N N 15 120.772 0.078 C 35 HIS H H 1 7.454 0.01 C 35 HIS HA H 1 4.174 0.004 C 35 HIS HBx H 1 3.248 0.016 C 35 HIS HBy H 1 3.329 0.032 C 35 HIS CA C 13 59.576 0.052 C 35 HIS CB C 13 29.377 0.055 C 35 HIS N N 15 117.977 0.075 C 36 ASP H H 1 8.375 0.007 C 36 ASP HA H 1 4.417 0.007 C 36 ASP HB2 H 1 2.735 0.007 C 36 ASP HB3 H 1 2.735 0.007 C 36 ASP CA C 13 56.461 0.047 C 36 ASP CB C 13 40.818 0.045 C 36 ASP N N 15 118.005 0.046 C 37 ASP H H 1 7.455 0.007 C 37 ASP HA H 1 4.956 0.003 C 37 ASP HBx H 1 2.424 0.016 C 37 ASP HBy H 1 2.960 0.007 C 37 ASP CA C 13 51.576 0.044 C 37 ASP CB C 13 40.413 0.055 C 37 ASP N N 15 115.366 0.041 C 38 PRO HA H 1 4.473 0.011 C 38 PRO HBx H 1 1.963 0.004 C 38 PRO HBy H 1 2.404 0.014 C 38 PRO HDx H 1 3.507 0.017 C 38 PRO HDy H 1 3.726 0.017 C 38 PRO HGy H 1 2.017 0.013 C 38 PRO HGx H 1 2.016 0.013 C 38 PRO CA C 13 64.579 0.035 C 38 PRO CB C 13 31.850 0.08 C 38 PRO CD C 13 50.154 0.052 C 38 PRO CG C 13 27.307 0.059 C 39 SER H H 1 8.530 0.007 C 39 SER HA H 1 4.375 0.007 C 39 SER HB2 H 1 4.034 0.003 C 39 SER HB3 H 1 4.034 0.003 C 39 SER CA C 13 61.604 0.063 C 39 SER CB C 13 62.460 0.048 C 39 SER N N 15 115.470 0.044 C 40 GLN H H 1 7.847 0.01 C 40 GLN HA H 1 4.729 0.018 C 40 GLN HBx H 1 1.930 0.013 C 40 GLN HBy H 1 2.663 0.015 C 40 GLN HGy H 1 2.434 0.01 C 40 GLN HGx H 1 2.261 0.005 C 40 GLN CA C 13 54.817 0.035 C 40 GLN CB C 13 28.394 0.062 C 40 GLN CG C 13 33.867 0.024 C 40 GLN N N 15 120.502 0.065 C 41 SER H H 1 7.834 0.006 C 41 SER HA H 1 3.976 0.014 C 41 SER HBx H 1 4.050 0.023 C 41 SER HBy H 1 4.050 0.023 C 41 SER CA C 13 64.293 0.026 C 41 SER CB C 13 64.115 0.046 C 41 SER N N 15 115.884 0.032 C 42 ALA H H 1 8.818 0.009 C 42 ALA HA H 1 4.041 0.011 C 42 ALA HB% H 1 1.396 0.007 C 42 ALA CA C 13 55.922 0.024 C 42 ALA CB C 13 17.874 0.055 C 42 ALA N N 15 122.416 0.088 C 43 ASN H H 1 8.030 0.008 C 43 ASN HA H 1 4.530 0.005 C 43 ASN HBx H 1 2.891 0.003 C 43 ASN HBy H 1 2.891 0.003 C 43 ASN CA C 13 55.996 0.055 C 43 ASN CB C 13 38.201 0.07 C 43 ASN N N 15 118.847 0.038 C 44 LEU H H 1 8.880 0.008 C 44 LEU HA H 1 4.186 0.007 C 44 LEU HBx H 1 1.411 0.015 C 44 LEU HBy H 1 1.948 0.008 C 44 LEU HDx% H 1 1.008 0.009 C 44 LEU HDy% H 1 0.738 0.011 C 44 LEU HG H 1 1.866 0.007 C 44 LEU CA C 13 57.958 0.026 C 44 LEU CB C 13 42.279 0.054 C 44 LEU CDx C 13 22.799 0.038 C 44 LEU CDy C 13 26.254 0.015 C 44 LEU CG C 13 27.371 0.032 C 44 LEU N N 15 121.185 0.048 C 45 LEU H H 1 8.724 0.007 C 45 LEU HA H 1 4.168 0.007 C 45 LEU HBy H 1 1.965 0.008 C 45 LEU HBx H 1 1.539 0.004 C 45 LEU HDx% H 1 0.807 0.007 C 45 LEU HDy% H 1 0.830 0.002 C 45 LEU HG H 1 1.675 0.006 C 45 LEU CA C 13 57.821 0.047 C 45 LEU CB C 13 41.868 0.045 C 45 LEU CDy C 13 25.790 0.011 C 45 LEU CDx C 13 23.870 0.026 C 45 LEU CG C 13 27.177 0.045 C 45 LEU N N 15 121.596 0.079 C 46 ALA H H 1 7.849 0.007 C 46 ALA HA H 1 4.082 0.008 C 46 ALA HB% H 1 1.575 0.004 C 46 ALA CA C 13 55.407 0.058 C 46 ALA CB C 13 17.696 0.031 C 46 ALA N N 15 121.717 0.079 C 47 GLU H H 1 8.093 0.006 C 47 GLU HA H 1 4.035 0.006 C 47 GLU HBy H 1 2.177 0.005 C 47 GLU HBx H 1 2.176 0.005 C 47 GLU HGy H 1 2.412 0.007 C 47 GLU HGx H 1 2.407 0.008 C 47 GLU CA C 13 59.051 0.034 C 47 GLU CB C 13 29.491 0.042 C 47 GLU CG C 13 36.085 0.029 C 47 GLU N N 15 118.840 0.032 C 48 ALA H H 1 8.151 0.008 C 48 ALA HA H 1 3.991 0.011 C 48 ALA HB% H 1 0.788 0.005 C 48 ALA CA C 13 55.004 0.033 C 48 ALA CB C 13 16.813 0.029 C 48 ALA N N 15 125.019 0.016 C 49 LYS H H 1 8.455 0.009 C 49 LYS HA H 1 3.672 0.008 C 49 LYS HBx H 1 1.679 0.007 C 49 LYS HBy H 1 2.009 0.006 C 49 LYS HDx H 1 1.606 0.004 C 49 LYS HDy H 1 1.743 0.004 C 49 LYS HEy H 1 3.065 0.022 C 49 LYS HEx H 1 3.030 0.016 C 49 LYS HGx H 1 1.454 0.01 C 49 LYS HGy H 1 1.454 0.01 C 49 LYS CA C 13 58.814 0.053 C 49 LYS CB C 13 32.168 0.035 C 49 LYS CD C 13 29.329 0.109 C 49 LYS CE C 13 42.034 0.257 C 49 LYS CG C 13 25.093 0.023 C 49 LYS N N 15 119.593 0.065 C 50 LYS H H 1 7.737 0.007 C 50 LYS HA H 1 4.084 0.007 C 50 LYS HBx H 1 1.902 0.002 C 50 LYS HBy H 1 1.902 0.002 C 50 LYS CA C 13 59.796 0.004 C 50 LYS CB C 13 32.448 0.05 C 50 LYS N N 15 120.249 0.083 C 51 LEU H H 1 7.907 0.007 C 51 LEU HA H 1 4.119 0.008 C 51 LEU HBx H 1 1.527 0.005 C 51 LEU HBy H 1 1.869 0.007 C 51 LEU HDx% H 1 0.842 0.008 C 51 LEU HDy% H 1 0.857 0.009 C 51 LEU HG H 1 1.328 0.007 C 51 LEU CA C 13 57.625 0.023 C 51 LEU CB C 13 41.805 0.029 C 51 LEU CDy C 13 25.341 0.0 C 51 LEU CDx C 13 23.029 0.115 C 51 LEU CG C 13 26.730 0.046 C 51 LEU N N 15 122.923 0.076 C 52 ASN H H 1 8.601 0.008 C 52 ASN HA H 1 3.782 0.02 C 52 ASN HBx H 1 2.379 0.011 C 52 ASN HBy H 1 3.204 0.009 C 52 ASN CA C 13 58.019 0.089 C 52 ASN CB C 13 41.349 0.057 C 52 ASN N N 15 117.530 0.062 C 53 ASP H H 1 8.495 0.004 C 53 ASP HA H 1 4.410 0.01 C 53 ASP HBy H 1 2.726 0.006 C 53 ASP HBx H 1 2.725 0.006 C 53 ASP CA C 13 56.819 0.032 C 53 ASP CB C 13 39.683 0.164 C 53 ASP N N 15 120.166 0.053 C 54 ALA H H 1 8.033 0.005 C 54 ALA HA H 1 4.232 0.007 C 54 ALA HB% H 1 1.554 0.003 C 54 ALA CA C 13 54.140 0.017 C 54 ALA CB C 13 18.430 0.033 C 54 ALA N N 15 123.644 0.081 C 55 GLN H H 1 7.454 0.007 C 55 GLN HA H 1 4.374 0.008 C 55 GLN CA C 13 54.957 0.059 C 55 GLN CB C 13 28.371 0.054 C 55 GLN N N 15 115.231 0.052 C 56 ALA H H 1 7.149 0.009 C 56 ALA HA H 1 4.310 0.008 C 56 ALA HB% H 1 1.390 0.007 C 56 ALA CA C 13 50.932 0.013 C 56 ALA CB C 13 17.869 0.007 C 56 ALA N N 15 124.316 0.071 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 PHE H A 15 PHE HD% 1.0 1.930 4.570 2 2 A 15 PHE H A 16 LEU H 1.0 1.956 4.854 3 3 A 15 PHE H A 15 PHE HA 1.0 1.924 4.510 4 4 A 15 PHE H A 14 ASN HA 1.0 1.879 4.155 5 5 A 15 PHE H A 15 PHE HBx 1.0 1.950 4.782 6 6 A 15 PHE H A 15 PHE HBy 1.0 1.875 4.129 7 7 A 15 PHE H A 14 ASN HBy 1.0 1.879 4.157 8 8 A 15 PHE H A 16 LEU H 1.0 1.944 4.718 9 9 A 16 LEU H A 15 PHE HA 1.0 1.742 3.386 10 10 A 17 VAL H B 19 LEU H 1.0 1.944 4.720 11 11 A 17 VAL H A 16 LEU HBx 1.0 1.929 4.561 12 12 A 17 VAL H B 17 VAL H 1.0 1.864 4.050 13 13 A 17 VAL H A 17 VAL HGy% 1.0 1.794 3.638 14 14 A 17 VAL H B 19 LEU HDx% 1.0 1.806 3.704 15 14 A 17 VAL H A 16 LEU HDy% 1.0 1.806 3.704 16 14 A 17 VAL H A 16 LEU HDx% 1.0 1.806 3.704 17 15 A 17 VAL H A 17 VAL HA 1.0 1.891 4.241 18 16 A 17 VAL H A 17 VAL HGx% 1.0 1.799 3.663 19 17 A 18 HIS H A 18 HIS HA 1.0 1.933 4.609 20 18 A 18 HIS HA A 19 SER H 1.0 1.833 3.855 21 19 A 23 PHE H A 23 PHE HA 1.0 1.928 4.554 22 20 A 23 PHE H A 23 PHE HBy 1.0 1.861 4.033 23 21 A 23 PHE H A 23 PHE HD% 1.0 1.915 4.437 24 22 A 16 LEU H A 24 GLY H 1.0 1.912 4.408 25 23 A 24 GLY H A 24 GLY HAx 1.0 1.875 4.121 26 24 A 24 GLY H A 16 LEU HG 1.0 1.927 4.551 27 25 A 23 PHE HA A 24 GLY H 1.0 1.718 3.278 28 26 A 24 GLY H A 23 PHE HBy 1.0 1.833 3.851 29 27 A 17 VAL HGx% A 24 GLY H 1.0 1.913 4.419 30 28 A 24 GLY H A 16 LEU HDy% 1.0 1.788 3.610 31 29 A 23 PHE H A 24 GLY H 1.0 1.916 6.500 32 30 A 17 VAL HA A 24 GLY H 1.0 1.905 4.359 33 31 A 25 ALA H C 17 VAL H 1.0 1.876 4.130 34 32 A 25 ALA H C 17 VAL HB 1.0 1.896 4.282 35 33 A 25 ALA H A 25 ALA HB% 1.0 1.771 3.523 36 34 A 25 ALA H C 16 ILE HD1% 1.0 1.834 6.500 37 35 A 25 ALA H A 16 LEU HDy% 1.0 1.815 3.755 38 36 A 24 GLY HAx A 25 ALA H 1.0 1.813 3.741 39 37 A 25 ALA H A 26 ILE HB 1.0 1.940 4.666 40 38 A 25 ALA H C 16 ILE HG2% 1.0 1.855 3.995 41 39 A 24 GLY H A 25 ALA H 1.0 1.830 6.500 42 40 A 25 ALA H A 25 ALA HA 1.0 1.872 4.104 43 41 A 25 ALA H C 18 TYR HA 1.0 1.868 4.072 44 42 A 15 PHE HA A 26 ILE H 1.0 1.913 4.417 45 43 A 25 ALA HB% A 26 ILE H 1.0 1.816 3.754 46 44 A 25 ALA HA A 26 ILE H 1.0 1.821 3.787 47 45 A 27 LEU H A 27 LEU HG 1.0 1.813 3.741 48 45 A 27 LEU H A 27 LEU HBy 1.0 1.813 3.741 49 46 A 27 LEU H A 28 SER H 1.0 1.875 4.129 50 46 C 17 VAL H A 27 LEU H 1.0 1.875 4.129 51 47 A 27 LEU H C 15 GLU H 1.0 1.964 4.966 52 48 A 27 LEU H A 27 LEU HDy% 1.0 1.778 6.500 53 49 A 27 LEU H A 27 LEU HDx% 1.0 1.819 3.773 54 50 A 27 LEU H A 27 LEU HBx 1.0 1.813 3.745 55 51 A 26 ILE H A 27 LEU H 1.0 1.949 4.779 56 52 A 28 SER H A 27 LEU HA 1.0 1.776 3.550 57 53 A 28 SER H A 27 LEU HBx 1.0 1.873 4.111 58 54 A 28 SER H A 27 LEU HDy% 1.0 1.858 4.008 59 55 A 28 SER H A 28 SER HA 1.0 1.849 3.955 60 56 A 27 LEU HBy A 28 SER H 1.0 1.847 3.945 61 57 A 28 SER H A 28 SER HBy 1.0 1.829 3.835 62 58 A 28 SER H A 27 LEU HDx% 1.0 1.848 3.948 63 59 A 27 LEU H A 28 SER H 1.0 1.933 4.607 64 60 A 28 SER H A 29 SER H 1.0 1.908 4.382 65 61 A 29 SER H A 29 SER HA 1.0 1.874 4.118 66 62 A 28 SER HA A 29 SER H 1.0 1.675 3.099 67 63 A 29 SER H A 29 SER HBy 1.0 1.687 3.151 68 64 A 29 SER HA A 30 THR H 1.0 1.691 6.500 69 65 A 30 THR H A 30 THR HB 1.0 1.726 6.500 70 66 A 30 THR H A 29 SER HBx 1.0 1.721 3.293 71 67 A 29 SER H A 30 THR H 1.0 1.780 3.566 72 68 A 30 THR H A 30 THR HA 1.0 1.657 3.029 73 69 A 30 THR H A 30 THR HG2% 1.0 1.682 3.126 74 70 A 30 THR H A 29 SER HBy 1.0 1.757 3.451 75 71 A 28 SER H A 28 SER HBx 1.0 1.864 4.050 76 72 A 22 ASN H A 22 ASN HA 1.0 1.913 4.417 77 73 A 22 ASN H A 22 ASN HB2 1.0 1.923 4.501 78 73 A 22 ASN H A 22 ASN HB3 1.0 1.923 4.501 79 74 A 23 PHE H A 22 ASN H 1.0 1.936 4.630 80 75 A 16 LEU H A 24 GLY H 1.0 1.832 3.852 81 76 A 16 LEU H A 16 LEU HA 1.0 1.897 4.289 82 77 A 27 LEU H A 27 LEU HA 1.0 1.993 5.525 83 78 A 18 HIS H A 22 ASN H 1.0 1.976 5.146 84 79 A 27 LEU HA A 14 ASN H 1.0 1.883 4.181 85 80 A 15 PHE H A 14 ASN H 1.0 1.953 4.819 86 81 A 14 ASN H A 14 ASN HBx 1.0 1.914 4.430 87 81 A 14 ASN H A 14 ASN HBy 1.0 1.914 4.430 88 82 A 23 PHE H A 23 PHE HBx 1.0 1.887 4.209 89 83 A 17 VAL H B 18 TYR H 1.0 1.934 4.612 90 84 A 17 VAL HGy% A 23 PHE H 1.0 1.940 4.678 91 85 A 23 PHE H A 22 ASN HB2 1.0 1.952 4.814 92 85 A 23 PHE H A 22 ASN HB3 1.0 1.952 4.814 93 86 A 11 ARG H A 11 ARG HA 1.0 1.726 3.310 94 87 A 11 ARG H A 10 GLN HGx 1.0 1.842 3.906 95 87 A 11 ARG H A 10 GLN HGy 1.0 1.842 3.906 96 88 A 11 ARG H A 11 ARG HGx 1.0 1.668 3.074 97 89 A 11 ARG H A 11 ARG HBy 1.0 1.643 2.977 98 89 A 11 ARG H A 11 ARG HBx 1.0 1.643 2.977 99 90 A 11 ARG H A 10 GLN HBx 1.0 1.777 3.551 100 91 A 11 ARG H A 10 GLN HBy 1.0 1.779 3.563 101 92 A 11 ARG H A 11 ARG HGy 1.0 1.699 3.197 102 93 A 28 SER H A 12 LEU H 1.0 1.871 4.095 103 94 A 12 LEU H A 12 LEU HA 1.0 1.603 2.833 104 95 A 12 LEU H A 28 SER HBx 1.0 1.904 4.342 105 96 A 28 SER H A 12 LEU H 1.0 1.908 4.382 106 97 A 12 LEU H A 11 ARG HBy 1.0 1.771 6.500 107 97 A 11 ARG HBx A 12 LEU H 1.0 1.771 6.500 108 98 A 12 LEU H A 12 LEU HB3 1.0 1.638 2.962 109 98 A 12 LEU H A 12 LEU HB2 1.0 1.638 2.962 110 99 A 27 LEU HDx% A 12 LEU H 1.0 1.854 3.984 111 100 A 12 LEU H A 12 LEU HDx% 1.0 1.847 3.939 112 101 A 12 LEU H A 12 LEU HDy% 1.0 1.786 3.598 113 102 A 11 ARG H A 12 LEU HDy% 1.0 1.850 3.964 114 103 A 13 ALA H A 13 ALA HB% 1.0 1.885 4.203 115 104 A 12 LEU HA A 13 ALA H 1.0 1.907 4.369 116 105 A 29 SER H A 30 THR H 1.0 1.890 4.232 117 106 A 29 SER H A 28 SER HBy 1.0 1.725 6.500 118 107 A 29 SER H A 28 SER HBx 1.0 1.692 6.500 119 108 A 15 PHE H B 20 PRO HA 1.0 1.940 4.674 120 109 A 19 SER H B 16 ILE HD1% 1.0 1.897 4.287 121 109 A 19 SER H B 16 ILE HG12 1.0 1.897 4.287 122 110 A 19 SER H A 19 SER HA 1.0 1.799 3.665 123 111 A 19 SER H A 19 SER HB2 1.0 1.890 4.234 124 111 A 19 SER H A 19 SER HB3 1.0 1.890 4.234 125 112 A 18 HIS HA A 19 SER H 1.0 1.774 3.540 126 113 A 28 SER H A 27 LEU HA 1.0 1.668 3.070 127 114 A 14 ASN H A 13 ALA HA 1.0 1.777 3.549 128 115 A 13 ALA HB% A 13 ALA HA 1.0 1.710 3.242 129 116 A 15 PHE H A 14 ASN HA 1.0 1.706 3.230 130 117 A 14 ASN HA A 14 ASN HBy 1.0 1.803 3.689 131 118 A 26 ILE H A 26 ILE HA 1.0 1.884 4.186 132 119 A 27 LEU H A 26 ILE HA 1.0 1.710 3.242 133 120 A 24 GLY HAx A 25 ALA H 1.0 1.769 3.513 134 121 A 25 ALA H A 24 GLY HAy 1.0 1.766 3.496 135 122 A 24 GLY H A 24 GLY HAy 1.0 1.873 4.109 136 123 A 24 GLY H A 24 GLY HAx 1.0 1.918 4.464 137 124 A 17 VAL HA A 18 HIS H 1.0 1.746 3.406 138 125 B 17 VAL H A 18 HIS HA 1.0 1.903 4.335 139 126 A 18 HIS H A 18 HIS HA 1.0 1.910 4.396 140 127 A 15 PHE HD% A 15 PHE HA 1.0 1.830 3.838 141 128 A 23 PHE HA A 24 GLY H 1.0 1.692 3.168 142 129 A 15 PHE H A 15 PHE HA 1.0 1.788 3.606 143 130 A 17 VAL H A 23 PHE HA 1.0 1.900 6.500 144 131 A 15 PHE HA A 26 ILE H 1.0 1.834 3.860 145 132 A 16 LEU H A 15 PHE HA 1.0 1.768 3.506 146 133 C 17 VAL H A 26 ILE HA 1.0 1.864 4.050 147 134 A 24 GLY HAx C 19 LEU H 1.0 1.923 4.501 148 135 A 24 GLY HAy C 19 LEU H 1.0 1.918 4.466 149 136 A 28 SER HA A 29 SER H 1.0 1.666 3.064 150 137 A 28 SER H A 28 SER HA 1.0 1.804 3.694 151 138 A 14 ASN H A 13 ALA HB% 1.0 1.743 3.387 152 139 A 13 ALA H A 13 ALA HB% 1.0 1.684 3.134 153 140 A 27 LEU HG A 13 ALA HB% 1.0 1.801 3.673 154 141 A 27 LEU HDy% A 13 ALA HB% 1.0 1.476 6.500 155 142 A 27 LEU HDx% A 13 ALA HB% 1.0 1.479 2.437 156 143 A 27 LEU HBy A 27 LEU HDy% 1.0 1.617 2.885 157 144 A 27 LEU HBy A 27 LEU HDx% 1.0 1.711 3.249 158 145 A 27 LEU HDy% A 27 LEU HBx 1.0 1.680 3.122 159 146 A 27 LEU HDx% A 27 LEU HBx 1.0 1.710 3.244 160 147 A 27 LEU HBy A 27 LEU HBx 1.0 1.573 2.729 161 148 A 27 LEU HBy A 27 LEU HBx 1.0 1.542 2.630 162 149 A 27 LEU H A 27 LEU HBx 1.0 1.836 3.868 163 150 A 27 LEU H A 27 LEU HBy 1.0 1.777 3.551 164 151 A 27 LEU HBy A 28 SER H 1.0 1.842 3.904 165 152 A 27 LEU HBy A 13 ALA HB% 1.0 1.858 6.500 166 153 A 17 VAL HGy% A 17 VAL HB 1.0 1.535 2.609 167 154 A 17 VAL HGx% A 17 VAL HB 1.0 1.569 2.719 168 155 A 17 VAL HB B 34 ILE HD1% 1.0 1.845 6.500 169 156 A 18 HIS H A 17 VAL HB 1.0 1.855 3.993 170 157 B 17 VAL H A 17 VAL HB 1.0 1.869 6.500 171 158 A 17 VAL H A 17 VAL HB 1.0 1.809 3.717 172 159 C 17 VAL H A 25 ALA HA 1.0 1.910 4.394 173 160 A 25 ALA HA A 26 ILE H 1.0 1.685 3.141 174 160 A 25 ALA H A 25 ALA HA 1.0 1.685 3.141 175 161 A 25 ALA HB% C 31 ILE HG1y 1.0 1.683 6.500 176 162 A 15 PHE HD% A 25 ALA HB% 1.0 1.727 3.319 177 163 C 17 VAL H A 25 ALA HB% 1.0 1.811 3.727 178 164 A 25 ALA H A 25 ALA HB% 1.0 1.546 2.642 179 164 A 25 ALA HB% A 26 ILE H 1.0 1.546 2.642 180 165 A 25 ALA HB% C 17 VAL HGx% 1.0 1.659 3.039 181 166 A 25 ALA HB% C 19 LEU HDy% 1.0 1.654 3.020 182 167 A 25 ALA HB% A 27 LEU HDx% 1.0 1.658 6.500 183 168 C 17 VAL HB A 25 ALA HB% 1.0 1.816 3.756 184 169 A 27 LEU HDy% A 27 LEU HA 1.0 1.730 6.500 185 170 A 27 LEU HDx% A 27 LEU HA 1.0 1.714 3.260 186 171 A 17 VAL HGy% A 17 VAL HA 1.0 1.742 3.386 187 172 A 17 VAL HA A 17 VAL HGx% 1.0 1.778 3.558 188 173 A 16 LEU HDx% A 17 VAL HA 1.0 1.855 6.500 189 174 A 17 VAL H A 17 VAL HA 1.0 1.926 4.536 190 175 A 17 VAL HGx% A 17 VAL HB 1.0 1.580 2.752 191 176 A 17 VAL HGx% A 18 HIS H 1.0 1.802 6.500 192 177 A 17 VAL H A 17 VAL HGx% 1.0 1.747 3.405 193 178 A 17 VAL HGx% A 23 PHE HD% 1.0 1.693 6.500 194 179 A 15 PHE HD% A 17 VAL HGx% 1.0 1.823 3.795 195 180 C 17 VAL HGy% C 17 VAL HA 1.0 1.739 3.369 196 181 A 16 LEU HBx A 16 LEU HBy 1.0 1.802 3.684 197 182 A 16 LEU HBx A 16 LEU HBy 1.0 1.823 3.795 198 183 A 16 LEU HDx% A 16 LEU HBy 1.0 1.733 3.343 199 184 A 16 LEU HBx A 16 LEU HDx% 1.0 1.727 3.315 200 185 A 16 LEU HDx% A 16 LEU HBy 1.0 1.735 3.355 201 186 A 16 LEU HBx A 16 LEU HDx% 1.0 1.795 3.643 202 187 A 16 LEU HBx A 16 LEU HDy% 1.0 1.836 3.876 203 188 A 16 LEU HDx% A 16 LEU HG 1.0 1.653 3.015 204 189 A 16 LEU HDx% A 16 LEU HG 1.0 1.603 2.833 205 190 C 18 TYR HD% A 16 LEU HDy% 1.0 1.778 3.560 206 191 C 18 TYR HE% A 16 LEU HDy% 1.0 1.630 2.930 207 192 A 16 LEU HDx% B 18 TYR HD% 1.0 1.665 3.061 208 193 A 16 LEU HDx% B 18 TYR HE% 1.0 1.613 2.867 209 194 A 16 LEU HDx% A 24 GLY H 1.0 1.871 6.500 210 195 A 16 LEU HDx% B 18 TYR H 1.0 1.757 6.500 211 196 A 17 VAL H A 16 LEU HDx% 1.0 1.882 4.172 212 197 A 16 LEU H A 16 LEU HDx% 1.0 1.802 6.500 213 198 B 18 TYR H A 16 LEU HDy% 1.0 1.810 6.500 214 199 A 24 GLY H A 16 LEU HDy% 1.0 1.780 3.562 215 200 A 16 LEU H A 16 LEU HDy% 1.0 1.823 3.797 216 201 A 16 LEU H A 16 LEU HG 1.0 1.800 3.666 217 202 B 18 TYR HD% A 16 LEU HDy% 1.0 1.865 4.057 218 203 B 18 TYR HE% A 16 LEU HDy% 1.0 1.863 4.039 219 204 A 26 ILE HB A 26 ILE HG1y 1.0 1.779 3.559 220 205 A 26 ILE HB A 26 ILE HG2% 1.0 1.610 2.856 221 205 A 26 ILE HB A 26 ILE HG1x 1.0 1.610 2.856 222 206 A 26 ILE HB A 26 ILE HD1% 1.0 1.683 3.131 223 207 A 26 ILE HB C 16 ILE HG12 1.0 1.819 3.771 224 208 A 16 LEU HDx% A 26 ILE HB 1.0 1.769 3.513 225 209 A 26 ILE HB A 26 ILE HA 1.0 1.815 3.755 226 210 A 26 ILE HA A 26 ILE HG1y 1.0 1.837 3.875 227 211 A 26 ILE HA A 26 ILE HG1x 1.0 1.715 3.267 228 211 A 26 ILE HA A 26 ILE HG2% 1.0 1.715 3.267 229 212 A 26 ILE HA A 26 ILE HD1% 1.0 1.779 3.561 230 213 A 26 ILE HG1y A 26 ILE HG1x 1.0 1.549 2.651 231 214 A 26 ILE HG1y A 26 ILE HD1% 1.0 1.575 2.739 232 215 A 16 LEU HDx% A 26 ILE HG1y 1.0 1.827 6.500 233 216 C 16 ILE HD1% A 26 ILE HB 1.0 1.818 3.766 234 217 A 26 ILE HB A 26 ILE HG1x 1.0 1.805 3.701 235 218 A 26 ILE HG1y A 26 ILE HG1x 1.0 1.605 2.839 236 219 A 26 ILE HG2% A 16 LEU HDy% 1.0 1.559 2.683 237 219 A 16 LEU HDx% A 26 ILE HG2% 1.0 1.559 2.683 238 220 A 26 ILE HG2% A 26 ILE HD1% 1.0 1.478 2.434 239 221 A 26 ILE HG1y A 26 ILE HG2% 1.0 1.690 3.164 240 222 A 26 ILE HB A 26 ILE HG2% 1.0 1.610 2.858 241 223 A 14 ASN HBy A 26 ILE HG2% 1.0 1.708 3.234 242 224 A 26 ILE HG2% C 16 ILE HA 1.0 1.756 6.500 243 225 A 27 LEU H A 26 ILE HG2% 1.0 1.803 6.500 244 226 A 26 ILE H A 26 ILE HG2% 1.0 1.618 2.884 245 227 B 18 TYR HD% A 26 ILE HG2% 1.0 1.758 3.460 246 228 B 18 TYR HE% A 26 ILE HG2% 1.0 1.642 2.976 247 229 A 26 ILE HG1y A 26 ILE HD1% 1.0 1.571 2.723 248 230 A 26 ILE HB A 26 ILE HD1% 1.0 1.671 3.087 249 231 A 27 LEU HG A 26 ILE HD1% 1.0 1.717 6.500 250 232 A 26 ILE HG2% A 26 ILE HD1% 1.0 1.376 2.156 251 232 A 26 ILE HG1x A 26 ILE HD1% 1.0 1.376 2.156 252 233 A 16 LEU HDx% A 26 ILE HD1% 1.0 1.547 2.645 253 234 C 16 ILE HG2% A 26 ILE HD1% 1.0 1.770 3.518 254 235 A 26 ILE HD1% C 16 ILE HA 1.0 1.692 3.172 255 236 B 18 TYR HD% A 26 ILE HD1% 1.0 1.854 3.984 256 237 B 18 TYR HE% A 26 ILE HD1% 1.0 1.694 3.178 257 238 A 27 LEU HDy% A 27 LEU HDx% 1.0 1.413 2.253 258 239 A 27 LEU HDx% A 27 LEU HBx 1.0 1.631 6.500 259 240 A 27 LEU HDx% A 27 LEU HBx 1.0 1.527 6.500 260 241 A 27 LEU HBy A 27 LEU HDx% 1.0 1.574 2.732 261 242 A 27 LEU HG A 27 LEU HDx% 1.0 1.546 2.642 262 243 A 27 LEU HDx% A 13 ALA HB% 1.0 1.672 3.086 263 244 A 28 SER H A 27 LEU HDx% 1.0 1.713 3.257 264 245 A 27 LEU H A 27 LEU HDx% 1.0 1.863 4.045 265 246 A 27 LEU HDx% C 42 ALA HA 1.0 1.567 2.709 266 247 A 27 LEU HDy% C 42 ALA H 1.0 1.708 3.232 267 248 A 27 LEU HDy% C 45 LEU H 1.0 1.808 3.716 268 248 A 27 LEU H A 27 LEU HDy% 1.0 1.808 3.716 269 249 A 27 LEU HDy% C 42 ALA HA 1.0 1.567 2.709 270 250 A 27 LEU HBy A 27 LEU HDy% 1.0 1.499 2.497 271 251 A 27 LEU HDy% C 42 ALA HB% 1.0 1.480 2.442 272 252 A 27 LEU HDy% A 27 LEU HDx% 1.0 1.337 2.057 273 253 A 27 LEU HG A 27 LEU HDx% 1.0 1.589 2.783 274 254 A 27 LEU HG A 27 LEU HDy% 1.0 1.489 2.465 275 255 A 27 LEU HBy A 27 LEU HA 1.0 1.795 3.645 276 256 A 27 LEU HBx A 27 LEU HA 1.0 1.799 3.663 277 257 A 27 LEU HBx C 15 GLU HBy 1.0 1.898 6.500 278 257 A 27 LEU HBx C 45 LEU HBx 1.0 1.898 6.500 279 258 A 27 LEU HG A 13 ALA HB% 1.0 1.918 4.462 280 259 A 27 LEU HG A 28 SER H 1.0 1.837 6.500 281 260 A 27 LEU H A 27 LEU HG 1.0 1.769 3.511 282 261 A 25 ALA HB% A 27 LEU HDx% 1.0 1.778 6.500 283 262 A 27 LEU HDx% C 45 LEU HBx 1.0 1.830 3.842 284 263 A 27 LEU HDy% C 45 LEU HBx 1.0 1.780 3.566 285 264 A 27 LEU HDx% A 13 ALA HA 1.0 1.810 3.726 286 265 A 27 LEU H A 13 ALA HB% 1.0 1.915 4.435 287 266 A 17 VAL HGy% A 18 HIS H 1.0 1.819 3.773 288 267 A 17 VAL H A 17 VAL HGy% 1.0 1.794 3.636 289 268 A 17 VAL HGy% A 17 VAL HB 1.0 1.692 3.170 290 269 A 17 VAL HB B 17 VAL HB 1.0 1.788 6.500 291 270 A 17 VAL HGx% B 17 VAL HB 1.0 1.805 3.699 292 271 A 27 LEU HDx% C 45 LEU HG 1.0 1.792 3.628 293 272 A 17 VAL H A 16 LEU HBy 1.0 1.861 4.027 294 273 A 17 VAL H A 16 LEU HBx 1.0 1.894 4.262 295 274 A 16 LEU HG A 16 LEU HBy 1.0 1.867 4.069 296 275 A 16 LEU HBy B 18 TYR HE% 1.0 1.877 4.135 297 276 A 16 LEU HBy B 18 TYR HD% 1.0 1.857 4.003 298 277 A 16 LEU HBx A 16 LEU HBy 1.0 1.831 3.845 299 278 A 16 LEU HBx B 18 TYR HD% 1.0 1.919 4.473 300 279 A 24 GLY H A 16 LEU HG 1.0 1.850 3.958 301 280 C 16 ILE HG2% A 16 LEU HDy% 1.0 1.634 2.946 302 281 B 16 ILE HG2% A 16 LEU HDy% 1.0 1.581 6.500 303 282 C 16 ILE HD1% A 16 LEU HDy% 1.0 1.708 6.500 304 283 A 16 LEU HG A 16 LEU HDy% 1.0 1.709 3.239 305 284 A 17 VAL H A 16 LEU HDy% 1.0 1.834 3.860 306 285 A 16 LEU HDx% C 16 ILE HG2% 1.0 1.572 2.726 307 286 A 16 LEU HDx% A 26 ILE HG2% 1.0 1.529 2.587 308 287 A 16 LEU HDx% C 16 ILE HD1% 1.0 1.588 2.780 309 288 A 16 LEU HDx% A 26 ILE HD1% 1.0 1.733 3.345 310 289 A 16 LEU HDx% A 26 ILE HB 1.0 1.753 3.435 311 290 A 26 ILE HB B 18 TYR HE% 1.0 1.844 3.926 312 291 A 26 ILE HB A 26 ILE H 1.0 1.840 3.896 313 292 A 27 LEU H A 26 ILE HG1y 1.0 1.835 3.871 314 293 A 26 ILE H A 26 ILE HG1y 1.0 1.937 4.645 315 294 A 26 ILE HB A 27 LEU H 1.0 1.870 4.094 316 295 A 27 LEU H A 26 ILE HG1x 1.0 1.872 4.104 317 296 C 16 ILE HG2% A 26 ILE HG2% 1.0 1.808 3.716 318 297 A 26 ILE H A 26 ILE HD1% 1.0 1.878 6.500 319 298 A 27 LEU H A 26 ILE HD1% 1.0 1.876 4.134 320 299 A 26 ILE HG1x C 16 ILE HA 1.0 1.878 4.146 321 300 A 26 ILE HB C 16 ILE HG2% 1.0 1.898 4.298 322 301 A 15 PHE H A 14 ASN HBy 1.0 1.857 4.003 323 302 A 14 ASN HBy A 14 ASN HD22 1.0 1.764 3.490 324 303 A 14 ASN HBy A 14 ASN HD21 1.0 1.848 3.950 325 304 A 14 ASN H A 14 ASN HBy 1.0 1.789 3.613 326 305 A 15 PHE HD% A 15 PHE HBy 1.0 1.768 3.506 327 306 A 15 PHE H A 15 PHE HBy 1.0 1.819 3.773 328 307 A 16 LEU H A 15 PHE HBy 1.0 1.903 6.500 329 308 A 23 PHE HA A 23 PHE HBy 1.0 1.779 3.559 330 309 A 15 PHE H A 15 PHE HBx 1.0 1.734 3.350 331 310 A 16 LEU H A 15 PHE HBx 1.0 1.896 4.284 332 311 A 15 PHE HD% A 15 PHE HBx 1.0 1.738 3.366 333 312 A 23 PHE HD% A 23 PHE HBx 1.0 1.695 3.179 334 313 A 15 PHE HBx A 15 PHE HBy 1.0 1.656 3.028 335 314 A 15 PHE HBx A 15 PHE HBy 1.0 1.681 3.123 336 315 A 22 ASN H A 22 ASN HB2 1.0 1.923 4.509 337 315 A 22 ASN H A 22 ASN HB3 1.0 1.923 4.509 338 316 A 23 PHE HA A 23 PHE HBx 1.0 1.751 3.429 339 317 A 23 PHE H A 23 PHE HA 1.0 1.830 3.834 340 318 A 23 PHE H A 23 PHE HBx 1.0 1.745 3.399 341 319 A 23 PHE H A 23 PHE HBy 1.0 1.731 3.337 342 320 B 31 ILE HD1% A 23 PHE HBx 1.0 1.872 4.102 343 320 A 23 PHE HBy B 31 ILE HD1% 1.0 1.872 4.102 344 321 A 17 VAL HGy% A 23 PHE HBx 1.0 1.681 3.125 345 321 A 17 VAL HGy% A 23 PHE HBy 1.0 1.681 3.125 346 322 A 17 VAL HGx% A 23 PHE HBx 1.0 1.783 3.581 347 322 A 17 VAL HGx% A 23 PHE HBy 1.0 1.783 3.581 348 323 A 15 PHE HBx B 19 LEU HDy% 1.0 1.803 3.685 349 323 A 15 PHE HBx B 19 LEU HDx% 1.0 1.803 3.685 350 324 B 31 ILE HG1x A 23 PHE HBx 1.0 1.912 4.404 351 324 A 23 PHE HBy B 31 ILE HG1x 1.0 1.912 4.404 352 325 A 23 PHE H A 22 ASN HB2 1.0 1.919 4.465 353 325 A 23 PHE H A 22 ASN HB3 1.0 1.919 4.465 354 326 A 26 ILE HG2% A 14 ASN HBx 1.0 1.672 3.090 355 326 A 14 ASN HBy A 26 ILE HG2% 1.0 1.672 3.090 356 327 A 26 ILE HD1% A 14 ASN HBx 1.0 1.895 4.269 357 327 A 14 ASN HBy A 26 ILE HD1% 1.0 1.895 4.269 358 328 A 15 PHE HBy B 19 LEU HDy% 1.0 1.888 6.500 359 328 A 15 PHE HBy B 19 LEU HDx% 1.0 1.888 6.500 360 329 A 15 PHE HBy B 27 LEU HDx% 1.0 1.789 3.609 361 330 A 13 ALA HB% A 14 ASN HBx 1.0 1.928 4.560 362 330 A 14 ASN HBy A 13 ALA HB% 1.0 1.928 4.560 363 331 B 18 TYR HD% A 14 ASN HBx 1.0 1.860 4.024 364 331 A 14 ASN HBy B 18 TYR HD% 1.0 1.860 4.024 365 332 B 18 TYR HE% A 14 ASN HBx 1.0 1.880 4.158 366 332 A 14 ASN HBy B 18 TYR HE% 1.0 1.880 4.158 367 333 A 11 ARG H A 10 GLN HA 1.0 1.484 2.452 368 334 A 11 ARG H A 10 GLN HBy 1.0 1.746 3.406 369 335 A 11 ARG H A 10 GLN HBx 1.0 1.741 3.379 370 336 A 10 GLN HA A 10 GLN HBx 1.0 1.671 3.083 371 337 A 10 GLN HA A 10 GLN HBy 1.0 1.688 3.154 372 338 A 10 GLN HA A 10 GLN HGx 1.0 1.699 3.197 373 338 A 10 GLN HA A 10 GLN HGy 1.0 1.699 3.197 374 339 A 10 GLN HGy A 10 GLN HBy 1.0 1.559 2.683 375 339 A 10 GLN HBy A 10 GLN HGx 1.0 1.559 2.683 376 340 A 10 GLN HGy A 10 GLN HBx 1.0 1.544 2.636 377 340 A 10 GLN HBx A 10 GLN HGx 1.0 1.544 2.636 378 341 A 11 ARG H A 10 GLN HGx 1.0 1.721 3.289 379 341 A 11 ARG H A 10 GLN HGy 1.0 1.721 3.289 380 342 A 10 GLN HE22 A 10 GLN HGx 1.0 1.608 2.850 381 342 A 10 GLN HGy A 10 GLN HE22 1.0 1.608 2.850 382 343 A 10 GLN HE21 A 10 GLN HGx 1.0 1.715 3.263 383 343 A 10 GLN HGy A 10 GLN HE21 1.0 1.715 3.263 384 344 A 10 GLN HA A 10 GLN HGx 1.0 1.699 3.197 385 344 A 10 GLN HA A 10 GLN HGy 1.0 1.699 3.197 386 345 A 10 GLN HA A 10 GLN HBy 1.0 1.694 3.174 387 345 A 10 GLN HA A 10 GLN HBx 1.0 1.694 3.174 388 346 A 10 GLN HGy A 10 GLN HBx 1.0 1.482 2.444 389 346 A 10 GLN HBx A 10 GLN HGx 1.0 1.482 2.444 390 347 A 10 GLN HGy A 10 GLN HBy 1.0 1.488 2.464 391 347 A 10 GLN HBy A 10 GLN HGx 1.0 1.488 2.464 392 348 A 12 LEU HDy% A 10 GLN HGx 1.0 1.807 3.707 393 348 A 10 GLN HGy A 12 LEU HDy% 1.0 1.807 3.707 394 349 A 12 LEU HDx% A 10 GLN HGx 1.0 1.844 3.926 395 349 A 10 GLN HGy A 12 LEU HDx% 1.0 1.844 3.926 396 350 A 11 ARG HA A 12 LEU H 1.0 1.622 2.898 397 351 A 11 ARG H A 11 ARG HA 1.0 1.744 3.396 398 352 A 11 ARG HA A 11 ARG HBy 1.0 1.734 3.350 399 353 A 11 ARG HA A 11 ARG HGy 1.0 1.745 6.500 400 354 A 11 ARG HA A 11 ARG HGx 1.0 1.771 3.521 401 355 A 11 ARG HA A 11 ARG HBx 1.0 1.727 3.317 402 356 A 11 ARG H A 11 ARG HBy 1.0 1.675 3.097 403 356 A 11 ARG H A 11 ARG HBx 1.0 1.675 3.097 404 357 A 12 LEU H A 11 ARG HBy 1.0 1.744 6.500 405 357 A 11 ARG HBx A 12 LEU H 1.0 1.744 6.500 406 358 A 11 ARG HGx A 11 ARG HBy 1.0 1.536 2.612 407 358 A 11 ARG HGx A 11 ARG HBx 1.0 1.536 2.612 408 359 A 11 ARG HGy A 11 ARG HBy 1.0 1.552 2.660 409 359 A 11 ARG HBx A 11 ARG HGy 1.0 1.552 2.660 410 360 A 27 LEU HDy% A 11 ARG HBy 1.0 1.775 3.543 411 360 A 27 LEU HDy% A 11 ARG HBx 1.0 1.775 3.543 412 361 A 27 LEU HDx% A 11 ARG HBy 1.0 1.819 3.777 413 361 A 27 LEU HDx% A 11 ARG HBx 1.0 1.819 3.777 414 362 A 11 ARG HDy A 11 ARG HBy 1.0 1.720 3.288 415 362 A 11 ARG HBx A 11 ARG HDy 1.0 1.720 3.288 416 363 A 11 ARG HBx A 11 ARG HDx 1.0 1.737 3.363 417 363 A 11 ARG HBy A 11 ARG HDx 1.0 1.737 3.363 418 364 A 11 ARG HGx A 12 LEU H 1.0 1.837 3.883 419 365 A 11 ARG H A 11 ARG HGx 1.0 1.746 3.400 420 366 A 11 ARG H A 11 ARG HGy 1.0 1.768 3.508 421 367 A 12 LEU H A 12 LEU HG 1.0 1.685 6.500 422 367 A 11 ARG HGy A 12 LEU H 1.0 1.685 6.500 423 368 A 11 ARG HGx A 11 ARG HDy 1.0 1.711 3.247 424 369 A 11 ARG HGx A 11 ARG HDx 1.0 1.723 3.303 425 370 A 11 ARG HGy A 11 ARG HDy 1.0 1.722 3.296 426 371 A 11 ARG HGy A 11 ARG HDx 1.0 1.746 3.402 427 372 A 11 ARG HGx A 12 LEU HDy% 1.0 1.752 6.500 428 372 A 27 LEU HDy% A 11 ARG HGx 1.0 1.752 6.500 429 373 A 27 LEU HDx% A 11 ARG HGx 1.0 1.842 3.908 430 374 A 11 ARG HGy A 11 ARG HDx 1.0 1.593 2.799 431 374 A 11 ARG HGy A 11 ARG HDy 1.0 1.593 2.799 432 375 A 11 ARG HDy A 11 ARG HBy 1.0 1.575 2.735 433 375 A 11 ARG HBx A 11 ARG HDy 1.0 1.575 2.735 434 375 A 11 ARG HBy A 11 ARG HDx 1.0 1.575 2.735 435 376 A 11 ARG HGx A 11 ARG HDx 1.0 1.587 2.775 436 376 A 11 ARG HGx A 11 ARG HDy 1.0 1.587 2.775 437 377 A 27 LEU HDy% A 11 ARG HDx 1.0 1.789 3.609 438 377 A 27 LEU HDy% A 11 ARG HDy 1.0 1.789 3.609 439 378 A 27 LEU HDx% A 11 ARG HDx 1.0 1.802 3.676 440 378 A 27 LEU HDx% A 11 ARG HDy 1.0 1.802 3.676 441 379 A 11 ARG H A 11 ARG HDx 1.0 1.828 6.500 442 379 A 11 ARG H A 11 ARG HDy 1.0 1.828 6.500 443 380 A 12 LEU HA A 12 LEU HDy% 1.0 1.649 6.500 444 381 A 12 LEU H A 12 LEU HA 1.0 1.818 3.770 445 382 A 12 LEU HA A 13 ALA H 1.0 1.749 3.413 446 383 A 12 LEU H A 12 LEU HB3 1.0 1.706 3.228 447 383 A 12 LEU H A 12 LEU HB2 1.0 1.706 3.228 448 384 A 13 ALA H A 12 LEU HB3 1.0 1.843 3.919 449 384 A 12 LEU HB2 A 13 ALA H 1.0 1.843 3.919 450 385 A 12 LEU HA A 12 LEU HB3 1.0 1.740 3.378 451 385 A 12 LEU HA A 12 LEU HB2 1.0 1.740 3.378 452 386 A 12 LEU HDx% A 12 LEU HG 1.0 1.506 2.518 453 387 A 12 LEU HDy% A 12 LEU HG 1.0 1.455 2.369 454 388 A 12 LEU HA A 12 LEU HDx% 1.0 1.767 3.503 455 389 A 12 LEU HDx% A 12 LEU HB3 1.0 1.606 2.844 456 389 A 12 LEU HB2 A 12 LEU HDx% 1.0 1.606 2.844 457 390 A 12 LEU HDy% A 12 LEU HB3 1.0 1.624 2.904 458 390 A 12 LEU HB2 A 12 LEU HDy% 1.0 1.624 2.904 459 391 A 27 LEU HDx% A 12 LEU HA 1.0 1.795 3.645 460 392 A 12 LEU HA A 13 ALA HB% 1.0 1.835 3.867 461 393 A 27 LEU HBy A 12 LEU HA 1.0 1.761 6.500 462 394 A 27 LEU HBx A 11 ARG HDx 1.0 1.756 6.500 463 394 A 27 LEU HBx A 11 ARG HDy 1.0 1.756 6.500 464 395 A 12 LEU HDx% A 12 LEU HG 1.0 1.428 2.292 465 396 A 12 LEU H A 12 LEU HDx% 1.0 1.784 3.586 466 397 A 12 LEU H A 12 LEU HDy% 1.0 1.840 3.898 467 398 A 12 LEU HDx% A 13 ALA H 1.0 1.872 4.108 468 399 A 12 LEU HDy% C 38 PRO HBy 1.0 1.786 3.596 469 400 A 12 LEU HDy% C 38 PRO HBx 1.0 1.854 3.984 470 401 A 12 LEU HDy% A 12 LEU HG 1.0 1.513 2.539 471 402 A 27 LEU HA A 12 LEU HDx% 1.0 1.789 6.500 472 403 A 27 LEU HG A 27 LEU HA 1.0 1.839 3.891 473 404 A 12 LEU HDy% A 10 GLN HBy 1.0 1.830 3.840 474 404 A 12 LEU HDy% A 10 GLN HBx 1.0 1.830 3.840 475 405 A 11 ARG HGx A 12 LEU HDx% 1.0 1.755 6.500 476 406 A 28 SER H A 28 SER HBy 1.0 1.696 3.188 477 406 A 28 SER H A 28 SER HBx 1.0 1.696 3.188 478 407 A 29 SER H A 28 SER HBy 1.0 1.732 3.340 479 407 A 29 SER H A 28 SER HBx 1.0 1.732 3.340 480 408 A 29 SER H A 29 SER HBy 1.0 1.640 2.964 481 408 A 29 SER H A 29 SER HBx 1.0 1.640 2.964 482 409 A 30 THR H A 29 SER HBy 1.0 1.697 3.187 483 409 A 30 THR H A 29 SER HBx 1.0 1.697 3.187 484 410 A 19 SER H A 19 SER HA 1.0 1.787 3.603 485 411 A 19 SER H A 19 SER HB2 1.0 1.785 3.593 486 411 A 19 SER H A 19 SER HB3 1.0 1.785 3.593 487 412 A 12 LEU H A 28 SER HBy 1.0 1.876 4.136 488 412 A 12 LEU H A 28 SER HBx 1.0 1.876 4.136 489 413 A 14 ASN HD21 A 28 SER HBy 1.0 1.866 4.062 490 413 A 14 ASN HD21 A 28 SER HBx 1.0 1.866 4.062 491 414 A 14 ASN HD22 A 28 SER HBy 1.0 1.899 4.299 492 414 A 14 ASN HD22 A 28 SER HBx 1.0 1.899 4.299 493 415 A 12 LEU HB3 A 28 SER HBy 1.0 1.866 4.064 494 415 A 28 SER HBx A 12 LEU HB3 1.0 1.866 4.064 495 415 A 12 LEU HB2 A 28 SER HBx 1.0 1.866 4.064 496 416 A 12 LEU HDx% A 28 SER HBy 1.0 1.765 6.500 497 416 A 12 LEU HDx% A 28 SER HBx 1.0 1.765 6.500 498 417 A 27 LEU HDy% A 28 SER HBy 1.0 1.835 6.500 499 417 A 27 LEU HDy% A 28 SER HBx 1.0 1.835 6.500 500 418 C 15 GLU H A 28 SER HA 1.0 1.861 6.500 501 419 A 29 SER HA A 30 THR H 1.0 1.631 6.500 502 420 A 29 SER H A 29 SER HA 1.0 1.805 3.695 503 421 A 29 SER HA A 12 LEU H 1.0 1.891 4.241 504 422 A 30 THR H A 30 THR HG2% 1.0 1.678 3.112 505 423 A 30 THR HB A 30 THR HG2% 1.0 1.451 2.357 506 424 A 30 THR H A 30 THR HB 1.0 1.701 6.500 507 425 A 30 THR HB A 30 THR HG2% 1.0 1.476 2.430 508 426 A 30 THR HA A 30 THR HG2% 1.0 1.559 2.685 509 427 A 30 THR H A 30 THR HA 1.0 1.674 3.096 510 428 A 18 HIS HA B 16 ILE HD1% 1.0 1.835 3.867 511 429 A 18 HIS HA B 16 ILE HG2% 1.0 1.887 4.215 512 430 A 18 HIS H A 18 HIS HBx 1.0 1.872 4.108 513 431 A 18 HIS H A 18 HIS HBy 1.0 1.885 4.197 514 432 C 18 TYR HE% A 18 HIS HBx 1.0 1.799 3.663 515 433 A 18 HIS HBx A 18 HIS HD2 1.0 1.886 4.202 516 434 C 18 TYR HE% A 18 HIS HBy 1.0 1.847 3.943 517 435 A 18 HIS HBx A 18 HIS HBy 1.0 1.790 3.620 518 436 A 18 HIS HBx A 18 HIS HBy 1.0 1.780 3.568 519 437 B 16 ILE HG12 A 18 HIS HBx 1.0 1.918 4.462 520 437 B 16 ILE HD1% A 18 HIS HBx 1.0 1.918 4.462 521 438 B 16 ILE HG12 A 18 HIS HBy 1.0 1.922 4.494 522 438 B 16 ILE HD1% A 18 HIS HBy 1.0 1.922 4.494 523 439 B 45 LEU HDy% A 19 SER HB2 1.0 1.859 4.017 524 439 B 16 ILE HG12 A 19 SER HB2 1.0 1.859 4.017 525 439 A 19 SER HB3 B 45 LEU HDy% 1.0 1.859 4.017 526 439 B 16 ILE HG12 A 19 SER HB3 1.0 1.859 4.017 527 440 A 24 GLY H A 23 PHE HBx 1.0 1.790 3.620 528 440 A 24 GLY H A 23 PHE HBy 1.0 1.790 3.620 529 441 A 23 PHE HA A 23 PHE HD% 1.0 1.800 3.668 530 442 A 15 PHE HA A 25 ALA HB% 1.0 1.841 3.903 531 443 B 35 HIS H B 35 HIS HBx 1.0 1.772 3.530 532 444 B 35 HIS H B 35 HIS HA 1.0 1.797 3.657 533 445 B 35 HIS H B 34 ILE HA 1.0 1.826 3.814 534 446 B 35 HIS H B 36 ASP H 1.0 1.789 3.609 535 447 B 35 HIS H B 34 ILE H 1.0 1.872 4.102 536 448 B 34 ILE HA B 34 ILE H 1.0 1.922 4.492 537 449 B 34 ILE H B 31 ILE HA 1.0 1.928 4.550 538 450 B 35 HIS H B 34 ILE H 1.0 1.869 4.087 539 451 C 56 ALA H C 54 ALA HA 1.0 1.817 6.500 540 452 C 56 ALA H C 52 ASN HA 1.0 1.898 6.500 541 453 C 56 ALA H C 56 ALA HB% 1.0 1.563 2.697 542 454 C 56 ALA H C 56 ALA HA 1.0 1.710 3.242 543 455 C 56 ALA H C 55 GLN H 1.0 1.701 3.207 544 456 C 22 LEU H C 22 LEU HBy 1.0 1.749 3.419 545 456 C 22 LEU H C 22 LEU HG 1.0 1.749 3.419 546 457 C 22 LEU H C 22 LEU HA 1.0 1.840 3.894 547 458 B 47 GLU H B 44 LEU HA 1.0 1.797 3.655 548 459 B 47 GLU H B 46 ALA H 1.0 1.741 3.379 549 460 B 47 GLU H B 47 GLU HA 1.0 1.728 3.324 550 461 B 47 GLU H B 48 ALA H 1.0 1.772 3.528 551 462 B 52 ASN H B 51 LEU H 1.0 1.770 3.518 552 463 B 52 ASN H B 52 ASN HA 1.0 1.871 4.099 553 464 B 52 ASN H B 51 LEU HA 1.0 1.803 3.689 554 465 B 55 GLN H B 56 ALA H 1.0 1.659 3.037 555 465 C 56 ALA H C 55 GLN H 1.0 1.659 3.037 556 466 C 55 GLN H C 55 GLN HA 1.0 1.696 3.184 557 466 B 55 GLN H B 55 GLN HA 1.0 1.696 3.184 558 467 C 54 ALA HA C 55 GLN H 1.0 1.796 3.650 559 467 B 55 GLN H B 54 ALA HA 1.0 1.796 3.650 560 468 C 55 GLN H C 51 LEU HA 1.0 1.955 4.853 561 468 B 51 LEU HA B 55 GLN H 1.0 1.955 4.853 562 469 B 52 ASN HA B 55 GLN H 1.0 1.950 4.778 563 470 C 42 ALA HA C 41 SER H 1.0 1.919 6.500 564 471 C 41 SER H C 41 SER HA 1.0 1.889 4.233 565 472 C 42 ALA H C 41 SER H 1.0 1.997 5.731 566 473 C 49 LYS H C 46 ALA HA 1.0 1.843 3.915 567 474 C 49 LYS H C 48 ALA HA 1.0 1.924 4.524 568 475 C 49 LYS H C 49 LYS HA 1.0 1.905 4.349 569 476 C 49 LYS H C 51 LEU H 1.0 1.949 4.781 570 477 C 49 LYS H C 50 LYS H 1.0 1.847 3.935 571 478 C 49 LYS H C 48 ALA H 1.0 1.850 3.962 572 479 B 29 ALA H B 30 PHE H 1.0 1.769 3.513 573 480 B 29 ALA H B 25 ASP HA 1.0 1.976 6.904 574 481 B 29 ALA H B 29 ALA HA 1.0 1.763 3.483 575 482 C 50 LYS H C 50 LYS HA 1.0 1.715 3.263 576 483 C 51 LEU H C 50 LYS H 1.0 1.793 3.633 577 484 C 50 LYS H C 52 ASN H 1.0 1.906 4.360 578 485 C 49 LYS H C 50 LYS H 1.0 1.856 4.002 579 486 C 42 ALA HA C 43 ASN H 1.0 1.734 6.500 580 487 C 43 ASN H C 44 LEU H 1.0 1.717 3.273 581 488 C 45 LEU H C 43 ASN H 1.0 1.826 3.812 582 489 C 53 ASP H C 53 ASP HA 1.0 1.827 3.819 583 490 C 50 LYS HA C 53 ASP H 1.0 1.909 4.389 584 491 C 53 ASP H C 54 ALA H 1.0 1.794 3.640 585 492 C 52 ASN H C 53 ASP H 1.0 1.813 3.743 586 493 B 25 ASP H B 24 PRO HDy 1.0 1.882 4.178 587 494 B 25 ASP HA B 25 ASP H 1.0 1.750 3.422 588 495 B 51 LEU H B 51 LEU HDy% 1.0 1.801 6.500 589 496 B 51 LEU H B 51 LEU HBy 1.0 1.704 3.218 590 497 B 51 LEU H B 51 LEU HA 1.0 1.752 3.432 591 498 B 51 LEU H B 48 ALA HA 1.0 1.881 4.169 592 499 B 52 ASN H B 51 LEU H 1.0 1.811 3.733 593 500 B 51 LEU H B 50 LYS H 1.0 1.800 3.666 594 501 B 17 VAL H B 17 VAL HA 1.0 1.957 4.863 595 502 B 17 VAL H B 16 ILE HA 1.0 1.834 3.860 596 503 B 17 VAL H A 18 HIS HA 1.0 1.961 4.921 597 504 A 17 VAL H B 17 VAL H 1.0 1.951 4.803 598 505 B 17 VAL H B 16 ILE H 1.0 2.000 5.924 599 506 B 48 ALA H B 49 LYS H 1.0 1.772 3.530 600 507 B 48 ALA H B 48 ALA HA 1.0 1.754 3.444 601 508 B 48 ALA H B 48 ALA HB% 1.0 1.682 3.130 602 509 B 16 ILE H B 16 ILE HB 1.0 1.797 3.653 603 510 B 16 ILE HA B 16 ILE H 1.0 1.664 3.060 604 511 B 45 LEU H B 45 LEU HA 1.0 1.869 4.085 605 512 B 46 ALA H B 45 LEU H 1.0 1.874 4.112 606 513 C 48 ALA HA C 52 ASN H 1.0 1.977 5.169 607 514 C 51 LEU HA C 52 ASN H 1.0 1.948 4.758 608 515 C 52 ASN HA C 52 ASN H 1.0 1.865 4.057 609 516 C 49 LYS HA C 52 ASN H 1.0 1.933 4.607 610 517 B 52 ASN H B 49 LYS HA 1.0 1.916 4.444 611 518 C 51 LEU H C 52 ASN H 1.0 1.828 3.830 612 519 C 53 ASP H C 54 ALA H 1.0 1.788 3.610 613 520 C 55 GLN H C 54 ALA H 1.0 1.723 3.301 614 521 C 56 ALA H C 54 ALA H 1.0 1.835 3.865 615 522 C 53 ASP HA C 54 ALA H 1.0 1.870 4.094 616 523 C 54 ALA HA C 54 ALA H 1.0 1.692 3.170 617 524 C 51 LEU HA C 54 ALA H 1.0 1.781 3.569 618 525 C 54 ALA H C 54 ALA HB% 1.0 1.580 2.754 619 526 C 31 ILE H C 31 ILE HD1% 1.0 1.843 3.921 620 527 C 31 ILE H C 31 ILE HG2% 1.0 1.895 4.275 621 528 C 31 ILE H C 31 ILE HB 1.0 1.908 4.378 622 529 C 31 ILE H C 31 ILE HA 1.0 1.819 3.777 623 530 C 31 ILE H C 30 PHE H 1.0 1.919 4.479 624 531 C 31 ILE H C 32 HIS H 1.0 1.859 4.017 625 532 C 31 ILE H C 30 PHE H 1.0 1.795 3.645 626 533 C 30 PHE H C 29 ALA H 1.0 1.765 3.491 627 534 C 30 PHE H C 30 PHE HD% 1.0 1.817 3.765 628 535 C 30 PHE H C 30 PHE HA 1.0 1.827 3.823 629 536 C 30 PHE H C 30 PHE HB2 1.0 1.645 2.985 630 536 C 30 PHE H C 30 PHE HB3 1.0 1.645 2.985 631 537 C 30 PHE H C 29 ALA HB% 1.0 1.679 3.119 632 538 C 30 PHE H C 27 LEU HA 1.0 1.769 3.513 633 539 C 30 PHE H C 29 ALA HA 1.0 1.890 4.232 634 540 B 18 TYR H B 17 VAL HA 1.0 1.747 3.411 635 541 B 18 TYR H B 18 TYR HD% 1.0 1.892 4.248 636 542 B 18 TYR H B 18 TYR HBy 1.0 1.912 4.406 637 543 B 18 TYR H B 18 TYR HBx 1.0 1.891 4.247 638 544 C 22 LEU HA C 23 ASN H 1.0 1.735 3.357 639 545 C 51 LEU H C 52 ASN H 1.0 1.970 5.056 640 546 C 51 LEU H C 50 LYS H 1.0 1.800 3.670 641 547 C 51 LEU HA C 51 LEU H 1.0 1.787 3.601 642 548 C 48 ALA HA C 51 LEU H 1.0 1.886 4.206 643 549 C 51 LEU H C 51 LEU HBy 1.0 1.739 6.500 644 550 C 51 LEU H C 51 LEU HG 1.0 1.853 3.977 645 551 C 51 LEU H C 51 LEU HBx 1.0 1.730 3.330 646 552 C 51 LEU H C 51 LEU HDy% 1.0 1.792 6.500 647 553 B 36 ASP H B 35 HIS HBx 1.0 1.818 3.768 648 554 B 36 ASP H B 33 SER HA 1.0 1.878 4.148 649 555 B 35 HIS HA B 36 ASP H 1.0 1.880 4.160 650 556 B 36 ASP H B 36 ASP HA 1.0 1.799 3.665 651 557 B 36 ASP H B 37 ASP H 1.0 1.797 3.653 652 558 B 35 HIS H B 36 ASP H 1.0 1.809 3.721 653 559 C 45 LEU H C 45 LEU HBx 1.0 1.763 3.483 654 560 C 45 LEU H C 44 LEU HA 1.0 1.803 3.687 655 560 C 45 LEU H C 45 LEU HA 1.0 1.803 3.687 656 561 C 42 ALA HA C 45 LEU H 1.0 1.893 4.257 657 562 C 45 LEU H C 44 LEU H 1.0 1.859 4.021 658 563 C 45 LEU H C 46 ALA H 1.0 1.867 4.069 659 564 C 49 LYS H C 48 ALA H 1.0 1.785 3.593 660 565 C 48 ALA H C 45 LEU HA 1.0 1.877 4.133 661 566 C 48 ALA HA C 48 ALA H 1.0 1.766 3.500 662 567 C 48 ALA H C 48 ALA HB% 1.0 1.702 3.208 663 568 B 46 ALA H B 46 ALA HB% 1.0 1.678 3.112 664 569 B 46 ALA H B 46 ALA HA 1.0 1.781 3.571 665 570 B 47 GLU H B 46 ALA H 1.0 1.809 3.721 666 571 B 46 ALA H B 45 LEU H 1.0 1.807 3.709 667 572 C 35 HIS H C 36 ASP H 1.0 1.795 3.643 668 573 C 35 HIS H C 34 ILE H 1.0 1.928 4.554 669 574 C 35 HIS H C 35 HIS HA 1.0 1.799 3.665 670 575 C 35 HIS H C 35 HIS HBx 1.0 1.772 3.530 671 576 C 35 HIS H C 35 HIS HBy 1.0 1.760 3.470 672 577 C 35 HIS H C 32 HIS HA 1.0 1.918 4.464 673 578 C 35 HIS H C 34 ILE HG2% 1.0 1.870 4.086 674 579 C 35 HIS H C 34 ILE HG1y 1.0 1.856 6.500 675 580 B 53 ASP H B 54 ALA H 1.0 1.770 3.514 676 581 B 52 ASN H B 53 ASP H 1.0 1.791 3.623 677 582 B 51 LEU H B 53 ASP H 1.0 1.925 4.529 678 583 B 53 ASP H B 50 LYS HA 1.0 1.848 3.950 679 584 B 27 LEU H B 26 GLN H 1.0 1.839 3.887 680 585 B 27 LEU H B 27 LEU HA 1.0 1.877 4.139 681 586 C 25 ASP H C 25 ASP HA 1.0 1.754 3.440 682 587 C 36 ASP H C 37 ASP H 1.0 1.765 3.491 683 588 C 37 ASP H C 37 ASP HA 1.0 1.870 4.090 684 589 B 31 ILE HA B 32 HIS H 1.0 1.747 3.407 685 590 B 32 HIS H B 32 HIS HA 1.0 1.871 4.093 686 591 B 32 HIS H B 31 ILE H 1.0 1.889 4.223 687 592 B 42 ALA H B 43 ASN H 1.0 1.798 3.656 688 593 B 42 ALA H B 41 SER H 1.0 1.863 4.043 689 594 B 42 ALA H B 44 LEU H 1.0 1.505 6.500 690 595 B 42 ALA H B 42 ALA HA 1.0 1.827 3.815 691 596 B 42 ALA H B 42 ALA HB% 1.0 1.696 3.186 692 597 C 46 ALA H C 46 ALA HB% 1.0 1.620 2.894 693 598 C 44 LEU HA C 46 ALA H 1.0 1.999 6.189 694 599 C 46 ALA HA C 46 ALA H 1.0 1.779 3.557 695 600 C 46 ALA H C 47 GLU H 1.0 1.855 3.987 696 601 C 45 LEU H C 46 ALA H 1.0 1.985 6.707 697 602 C 44 LEU H C 44 LEU HA 1.0 1.920 4.482 698 603 C 43 ASN H C 44 LEU H 1.0 1.821 3.785 699 604 C 44 LEU H C 46 ALA H 1.0 1.957 4.863 700 605 C 45 LEU H C 44 LEU H 1.0 1.948 4.762 701 606 B 26 GLN H B 23 ASN HA 1.0 1.740 6.500 702 607 B 25 ASP HA B 26 GLN H 1.0 1.919 4.471 703 608 C 18 TYR HD% C 18 TYR H 1.0 1.912 4.410 704 609 C 17 VAL HA C 18 TYR H 1.0 1.694 3.178 705 610 C 18 TYR H C 18 TYR HBy 1.0 1.894 4.262 706 611 C 18 TYR H C 18 TYR HBx 1.0 1.894 4.264 707 612 B 39 SER H B 40 GLN H 1.0 1.805 3.693 708 613 B 39 SER H B 39 SER HA 1.0 1.817 3.761 709 614 B 39 SER H B 38 PRO HBy 1.0 1.924 4.520 710 615 C 35 HIS H C 34 ILE H 1.0 1.855 3.993 711 616 C 31 ILE HA C 34 ILE H 1.0 1.900 4.310 712 617 C 42 ALA H C 43 ASN H 1.0 1.807 3.707 713 618 C 42 ALA H C 41 SER H 1.0 1.836 3.868 714 619 C 42 ALA HA C 42 ALA H 1.0 1.796 3.650 715 620 C 42 ALA H C 42 ALA HB% 1.0 1.698 3.190 716 621 C 36 ASP H C 36 ASP HA 1.0 1.795 3.647 717 622 C 36 ASP H C 32 HIS HA 1.0 1.934 4.616 718 623 C 36 ASP H C 35 HIS HBx 1.0 1.841 3.899 719 624 C 36 ASP H C 35 HIS HBy 1.0 1.840 3.898 720 625 C 35 HIS H C 36 ASP H 1.0 1.697 3.189 721 625 C 36 ASP H C 37 ASP H 1.0 1.697 3.189 722 626 C 36 ASP H C 35 HIS HA 1.0 1.919 4.469 723 627 C 39 SER H C 39 SER HA 1.0 1.862 4.032 724 628 C 39 SER H C 40 GLN H 1.0 1.839 3.891 725 629 B 48 ALA H B 50 LYS H 1.0 1.987 5.381 726 630 B 51 LEU H B 50 LYS H 1.0 1.793 3.631 727 631 B 50 LYS H B 50 LYS HA 1.0 1.697 3.191 728 632 B 21 ASN H B 22 LEU H 1.0 1.804 3.690 729 633 B 21 ASN H B 21 ASN HA 1.0 1.897 4.295 730 634 C 40 GLN H C 40 GLN HA 1.0 1.895 4.269 731 635 C 39 SER H C 40 GLN H 1.0 1.891 4.247 732 636 B 36 ASP H B 37 ASP H 1.0 1.751 3.425 733 637 B 36 ASP HA B 37 ASP H 1.0 1.788 3.608 734 638 B 37 ASP H B 37 ASP HA 1.0 1.814 3.746 735 639 C 31 ILE H C 32 HIS H 1.0 1.850 3.958 736 640 C 32 HIS H C 32 HIS HA 1.0 1.866 4.066 737 641 C 31 ILE HA C 32 HIS H 1.0 1.709 6.500 738 642 B 43 ASN H B 44 LEU H 1.0 1.823 3.797 739 643 B 44 LEU HA B 44 LEU H 1.0 1.817 3.765 740 644 B 44 LEU H B 44 LEU HDy% 1.0 1.816 3.756 741 645 B 45 LEU H B 44 LEU H 1.0 1.850 3.960 742 646 C 21 ASN H C 21 ASN HA 1.0 1.918 4.468 743 647 C 22 LEU H C 21 ASN H 1.0 1.762 3.478 744 648 C 46 ALA H C 47 GLU H 1.0 1.744 3.392 745 649 C 48 ALA H C 47 GLU H 1.0 1.690 3.162 746 650 C 44 LEU HA C 47 GLU H 1.0 1.855 3.993 747 651 C 47 GLU H C 47 GLU HA 1.0 1.726 3.312 748 652 C 27 LEU H C 26 GLN H 1.0 1.794 3.638 749 653 B 32 HIS H B 33 SER H 1.0 1.800 3.674 750 654 B 34 ILE H B 33 SER H 1.0 1.795 3.645 751 655 B 33 SER HA B 33 SER H 1.0 1.720 3.286 752 656 B 32 HIS HA B 33 SER H 1.0 1.645 6.500 753 657 B 23 ASN H B 22 LEU HA 1.0 1.766 3.502 754 658 B 48 ALA H B 49 LYS H 1.0 1.820 3.778 755 659 B 50 LYS H B 49 LYS H 1.0 1.819 3.779 756 660 B 49 LYS H B 46 ALA HA 1.0 1.847 3.939 757 661 B 49 LYS H B 49 LYS HA 1.0 1.854 3.982 758 662 B 49 LYS H B 49 LYS HBx 1.0 1.818 3.772 759 663 B 49 LYS H B 49 LYS HBy 1.0 1.800 3.670 760 664 B 49 LYS H B 49 LYS HDy 1.0 1.874 6.500 761 665 B 49 LYS H B 49 LYS HGy 1.0 1.927 4.541 762 666 C 32 HIS H C 33 SER H 1.0 1.773 3.533 763 667 C 34 ILE H C 33 SER H 1.0 1.759 3.465 764 668 C 33 SER H C 33 SER HA 1.0 1.857 4.003 765 669 C 32 HIS HA C 33 SER H 1.0 1.645 6.500 766 670 B 41 SER H B 41 SER HA 1.0 1.708 3.238 767 671 B 42 ALA H B 41 SER H 1.0 1.917 4.457 768 672 B 41 SER H B 40 GLN H 1.0 1.737 3.363 769 673 A 25 ALA H C 17 VAL H 1.0 1.918 4.456 770 674 A 27 LEU H C 15 GLU H 1.0 1.952 4.814 771 675 C 17 VAL H A 25 ALA HB% 1.0 1.987 5.357 772 676 C 17 VAL H A 27 LEU H 1.0 1.978 5.176 773 677 B 35 HIS H B 35 HIS HBy 1.0 1.784 3.590 774 678 C 34 ILE H C 34 ILE HA 1.0 1.922 4.498 775 679 C 34 ILE H C 33 SER H 1.0 1.938 4.650 776 680 B 15 GLU H B 15 GLU HA 1.0 1.782 3.578 777 681 B 22 LEU H B 22 LEU HA 1.0 1.882 4.172 778 682 B 31 ILE HD1% B 31 ILE H 1.0 1.903 4.339 779 683 B 30 PHE H B 31 ILE H 1.0 1.859 4.017 780 684 C 19 LEU H C 19 LEU HA 1.0 1.913 4.417 781 685 C 18 TYR HA C 19 LEU H 1.0 1.945 4.737 782 686 B 40 GLN H B 40 GLN HA 1.0 1.923 4.509 783 687 B 43 ASN H B 42 ALA HA 1.0 1.861 4.029 784 688 B 53 ASP H B 53 ASP HA 1.0 1.799 3.667 785 689 B 51 LEU HA B 54 ALA H 1.0 1.836 3.872 786 690 B 54 ALA HA B 54 ALA H 1.0 1.751 3.425 787 691 B 54 ALA H B 53 ASP HA 1.0 1.939 4.659 788 692 B 18 TYR H B 18 TYR HA 1.0 1.958 4.882 789 693 C 18 TYR HA C 18 TYR H 1.0 1.940 4.674 790 694 C 23 ASN H C 23 ASN HA 1.0 1.981 5.247 791 695 B 23 ASN HA B 23 ASN H 1.0 1.981 5.239 792 696 B 56 ALA H B 56 ALA HA 1.0 1.773 3.535 793 697 B 19 LEU H B 18 TYR HD% 1.0 1.998 5.756 794 698 B 19 LEU H B 18 TYR HA 1.0 1.826 3.816 795 699 B 22 LEU H B 21 ASN HA 1.0 1.926 4.534 796 700 B 27 LEU H B 24 PRO HA 1.0 1.976 5.148 797 701 B 30 PHE H B 30 PHE HA 1.0 1.818 3.772 798 702 B 30 PHE H B 27 LEU HA 1.0 1.731 3.337 799 703 B 30 PHE H B 30 PHE HD% 1.0 1.831 3.845 800 704 B 41 SER H B 40 GLN H 1.0 1.659 3.035 801 705 B 30 PHE H B 31 ILE H 1.0 1.858 4.010 802 706 B 30 PHE H B 29 ALA HA 1.0 1.895 4.275 803 707 B 29 ALA H B 30 PHE H 1.0 1.768 3.506 804 708 B 30 PHE H B 30 PHE HBx 1.0 1.659 3.041 805 708 B 30 PHE H B 30 PHE HBy 1.0 1.659 3.041 806 709 B 30 PHE H B 29 ALA HB% 1.0 1.690 3.158 807 710 B 31 ILE H B 30 PHE HD% 1.0 1.899 4.299 808 711 B 31 ILE HA B 31 ILE H 1.0 1.838 3.890 809 712 B 29 ALA HA B 32 HIS H 1.0 1.969 5.043 810 713 C 32 HIS H C 29 ALA HA 1.0 1.939 4.661 811 714 B 33 SER H B 30 PHE HA 1.0 1.916 4.444 812 715 C 30 PHE HA C 33 SER H 1.0 1.918 4.468 813 716 B 34 ILE H B 33 SER HA 1.0 1.974 5.102 814 717 B 35 HIS H B 32 HIS HA 1.0 1.941 4.683 815 718 C 35 HIS H C 34 ILE HA 1.0 1.856 3.998 816 719 C 35 HIS H C 34 ILE HD1% 1.0 1.929 4.561 817 720 B 34 ILE HD1% B 35 HIS H 1.0 1.929 4.563 818 721 B 35 HIS H B 34 ILE HG2% 1.0 1.899 4.305 819 722 B 35 HIS H B 34 ILE HG1y 1.0 1.882 4.180 820 723 B 36 ASP H B 32 HIS HA 1.0 1.914 4.422 821 724 C 36 ASP H C 33 SER HA 1.0 1.898 4.294 822 725 C 37 ASP H C 36 ASP HA 1.0 1.764 3.488 823 726 C 37 ASP H C 34 ILE HA 1.0 1.984 5.290 824 727 B 39 SER H B 38 PRO HBx 1.0 1.936 4.630 825 728 B 39 SER H B 38 PRO HA 1.0 1.919 4.471 826 729 B 41 SER H B 40 GLN HA 1.0 1.931 4.581 827 730 C 43 ASN H C 40 GLN HA 1.0 1.978 5.178 828 731 B 43 ASN H B 40 GLN HA 1.0 1.966 4.988 829 732 B 43 ASN H B 42 ALA HA 1.0 1.836 3.874 830 733 B 43 ASN H B 44 LEU H 1.0 1.711 3.249 831 734 B 44 LEU H B 41 SER HA 1.0 1.939 4.665 832 735 C 41 SER HA C 44 LEU H 1.0 1.969 5.043 833 736 B 45 LEU H B 41 SER HA 1.0 1.976 5.156 834 737 B 45 LEU H B 43 ASN H 1.0 1.963 4.955 835 738 B 45 LEU H B 44 LEU H 1.0 1.921 4.495 836 739 B 44 LEU HA B 45 LEU H 1.0 1.930 4.578 837 740 B 46 ALA H B 48 ALA H 1.0 1.921 7.671 838 741 B 46 ALA H B 42 ALA HA 1.0 1.683 9.507 839 742 C 42 ALA HA C 46 ALA H 1.0 1.923 4.507 840 743 B 47 GLU H B 48 ALA H 1.0 1.741 3.381 841 744 C 48 ALA H C 47 GLU H 1.0 1.712 3.254 842 745 B 48 ALA H B 45 LEU HA 1.0 1.796 3.650 843 746 C 50 LYS H C 47 GLU HA 1.0 1.806 3.704 844 747 C 49 LYS HA C 50 LYS H 1.0 1.986 5.328 845 748 B 48 ALA HA B 50 LYS H 1.0 1.912 4.410 846 749 B 47 GLU HA B 50 LYS H 1.0 1.739 3.371 847 750 B 51 LEU H B 51 LEU HG 1.0 1.886 4.200 848 751 B 52 ASN H B 48 ALA HA 1.0 1.908 7.806 849 752 C 52 ASN HA C 53 ASP H 1.0 1.985 5.319 850 753 C 49 LYS HA C 53 ASP H 1.0 1.950 4.788 851 754 B 56 ALA H B 54 ALA H 1.0 1.882 4.172 852 755 B 55 GLN H B 54 ALA H 1.0 1.734 3.350 853 756 B 53 ASP H B 54 ALA H 1.0 1.797 3.657 854 757 B 54 ALA H B 54 ALA HB% 1.0 1.580 2.752 855 758 C 52 ASN HA C 55 GLN H 1.0 1.920 4.484 856 759 C 56 ALA H C 53 ASP HA 1.0 1.786 3.596 857 760 B 55 GLN H B 56 ALA H 1.0 1.763 3.481 858 761 B 56 ALA H B 53 ASP HA 1.0 1.858 4.004 859 762 B 56 ALA H B 54 ALA HA 1.0 1.898 4.292 860 763 B 56 ALA H B 56 ALA HB% 1.0 1.633 2.941 861 764 B 32 HIS H B 31 ILE H 1.0 1.722 3.294 862 765 B 34 ILE H B 33 SER H 1.0 1.992 5.512 863 766 C 41 SER H C 40 GLN H 1.0 1.522 2.566 864 767 B 39 SER H B 40 GLN H 1.0 1.760 3.468 865 768 C 42 ALA H C 43 ASN H 1.0 1.708 3.236 866 769 C 22 LEU H C 19 LEU HA 1.0 1.973 5.099 867 770 B 42 ALA H B 41 SER HA 1.0 1.857 4.005 868 771 C 32 HIS H C 33 SER H 1.0 1.881 4.167 869 772 B 32 HIS H B 33 SER H 1.0 1.832 3.850 870 773 C 31 ILE HD1% C 32 HIS H 1.0 1.922 4.502 871 774 B 31 ILE HD1% B 32 HIS H 1.0 1.944 4.726 872 775 C 31 ILE HG2% C 32 HIS H 1.0 1.894 4.262 873 776 B 32 HIS H B 31 ILE HG2% 1.0 1.905 4.351 874 777 C 33 SER H C 32 HIS HBx 1.0 1.718 3.276 875 777 C 33 SER H C 32 HIS HBy 1.0 1.718 3.276 876 778 B 33 SER H B 32 HIS HBx 1.0 1.739 3.369 877 778 B 33 SER H B 32 HIS HBy 1.0 1.739 3.369 878 779 C 34 ILE HG2% C 33 SER H 1.0 1.799 6.500 879 780 B 33 SER H B 34 ILE HG2% 1.0 1.827 6.500 880 781 C 35 HIS H C 36 ASP HB2 1.0 1.880 6.500 881 781 C 35 HIS H C 36 ASP HB3 1.0 1.880 6.500 882 782 B 35 HIS H B 36 ASP HBx 1.0 1.882 6.500 883 782 B 35 HIS H B 36 ASP HBy 1.0 1.882 6.500 884 783 C 31 ILE HB C 35 HIS H 1.0 1.889 6.500 885 784 B 35 HIS H B 31 ILE HB 1.0 1.845 6.500 886 785 C 36 ASP H C 36 ASP HB2 1.0 1.707 3.229 887 785 C 36 ASP H C 36 ASP HB3 1.0 1.707 3.229 888 786 B 36 ASP H B 36 ASP HBx 1.0 1.694 3.174 889 786 B 36 ASP H B 36 ASP HBy 1.0 1.694 3.174 890 787 B 36 ASP H B 35 HIS HBy 1.0 1.826 3.818 891 788 B 33 SER HA B 37 ASP H 1.0 1.880 4.164 892 789 B 37 ASP H B 38 PRO HDy 1.0 1.878 4.146 893 790 B 37 ASP H B 38 PRO HDx 1.0 1.902 4.328 894 791 B 34 ILE HA B 37 ASP H 1.0 1.909 4.385 895 792 C 37 ASP H C 38 PRO HDx 1.0 1.890 4.236 896 793 C 37 ASP H C 38 PRO HDy 1.0 1.987 5.369 897 794 B 37 ASP H B 37 ASP HBx 1.0 1.879 4.149 898 795 C 37 ASP H C 37 ASP HBy 1.0 1.942 4.692 899 796 B 37 ASP H B 36 ASP HBx 1.0 1.743 3.387 900 796 B 37 ASP H B 36 ASP HBy 1.0 1.743 3.387 901 797 C 37 ASP H C 36 ASP HB2 1.0 1.739 3.369 902 797 C 37 ASP H C 36 ASP HB3 1.0 1.739 3.369 903 798 B 37 ASP H B 37 ASP HBy 1.0 1.737 3.363 904 799 C 37 ASP H C 37 ASP HBx 1.0 1.709 3.237 905 800 B 37 ASP H B 38 PRO HGy 1.0 1.940 6.500 906 800 B 37 ASP H B 38 PRO HGx 1.0 1.940 6.500 907 801 C 37 ASP H C 38 PRO HGy 1.0 1.945 4.725 908 801 C 37 ASP H C 38 PRO HGx 1.0 1.945 4.725 909 802 B 37 ASP H B 34 ILE HG2% 1.0 1.855 3.991 910 802 B 37 ASP H B 44 LEU HDy% 1.0 1.855 3.991 911 803 B 34 ILE HD1% B 37 ASP H 1.0 1.854 6.500 912 804 C 37 ASP H C 34 ILE HD1% 1.0 1.870 6.500 913 805 C 37 ASP H C 44 LEU HDx% 1.0 1.881 4.169 914 805 C 34 ILE HG2% C 37 ASP H 1.0 1.881 4.169 915 806 B 39 SER H B 39 SER HB2 1.0 1.798 3.660 916 806 B 39 SER H B 39 SER HB3 1.0 1.798 3.660 917 807 C 39 SER H C 39 SER HB2 1.0 1.838 3.888 918 807 C 39 SER H C 39 SER HB3 1.0 1.838 3.888 919 808 B 39 SER H B 38 PRO HDy 1.0 1.963 4.957 920 809 C 39 SER H C 38 PRO HGy 1.0 1.932 4.592 921 809 C 39 SER H C 38 PRO HGx 1.0 1.932 4.592 922 810 C 39 SER HA C 40 GLN H 1.0 1.840 3.896 923 811 B 40 GLN H B 39 SER HA 1.0 1.846 3.932 924 812 C 40 GLN H C 39 SER HB2 1.0 1.791 3.621 925 812 C 40 GLN H C 39 SER HB3 1.0 1.791 3.621 926 813 B 40 GLN H B 39 SER HB2 1.0 1.698 3.196 927 813 B 40 GLN H B 39 SER HB3 1.0 1.698 3.196 928 814 C 40 GLN H C 40 GLN HBy 1.0 1.871 4.095 929 815 B 40 GLN H B 40 GLN HBx 1.0 1.846 3.936 930 816 C 40 GLN H C 40 GLN HGx 1.0 1.865 4.059 931 817 B 40 GLN H B 37 ASP HBy 1.0 1.873 4.111 932 817 B 40 GLN H B 40 GLN HGx 1.0 1.873 4.111 933 818 C 40 GLN H C 40 GLN HGy 1.0 1.828 3.826 934 819 B 40 GLN H B 40 GLN HGy 1.0 1.868 4.080 935 820 C 40 GLN H C 40 GLN HBx 1.0 1.747 3.409 936 821 C 40 GLN H C 44 LEU HDx% 1.0 1.896 4.276 937 822 B 40 GLN H B 44 LEU HDy% 1.0 1.834 3.858 938 823 B 41 SER H B 44 LEU HDy% 1.0 1.863 4.041 939 824 B 34 ILE HD1% B 41 SER H 1.0 1.880 4.158 940 825 C 41 SER H C 34 ILE HD1% 1.0 1.881 4.167 941 826 C 41 SER H C 34 ILE HG2% 1.0 1.956 4.852 942 827 B 45 LEU H B 43 ASN H 1.0 1.869 4.083 943 828 C 43 ASN H C 43 ASN HA 1.0 1.723 3.301 944 829 B 43 ASN H B 43 ASN HA 1.0 1.778 3.558 945 830 C 43 ASN H C 43 ASN HBx 1.0 1.629 2.927 946 830 C 43 ASN H C 43 ASN HBy 1.0 1.629 2.927 947 831 B 43 ASN H B 43 ASN HBx 1.0 1.645 2.985 948 831 B 43 ASN H B 43 ASN HBy 1.0 1.645 2.985 949 832 C 42 ALA HB% C 43 ASN H 1.0 1.690 3.162 950 833 B 43 ASN H B 42 ALA HB% 1.0 1.702 3.210 951 834 C 43 ASN H C 45 LEU HDx% 1.0 1.823 6.500 952 835 C 43 ASN H C 34 ILE HD1% 1.0 1.835 6.500 953 836 B 43 ASN H B 44 LEU HDy% 1.0 1.858 4.012 954 837 B 47 GLU H B 47 GLU HGx 1.0 1.789 3.615 955 838 C 47 GLU H C 47 GLU HGy 1.0 1.774 6.500 956 838 C 47 GLU H C 47 GLU HGx 1.0 1.774 6.500 957 839 B 47 GLU H B 47 GLU HBy 1.0 1.723 3.301 958 839 B 47 GLU H B 47 GLU HBx 1.0 1.723 3.301 959 840 C 47 GLU H C 47 GLU HBy 1.0 1.698 3.194 960 840 C 47 GLU H C 47 GLU HBx 1.0 1.698 3.194 961 841 B 47 GLU H B 46 ALA HB% 1.0 1.745 3.401 962 842 C 46 ALA HB% C 47 GLU H 1.0 1.724 3.304 963 843 C 48 ALA HB% C 47 GLU H 1.0 1.844 6.500 964 844 B 47 GLU H B 48 ALA HB% 1.0 1.908 4.372 965 845 C 55 GLN H C 53 ASP H 1.0 1.943 4.705 966 846 B 55 GLN H B 53 ASP H 1.0 1.942 4.694 967 847 B 52 ASN HA B 53 ASP H 1.0 1.980 5.218 968 848 B 49 LYS HA B 53 ASP H 1.0 1.972 5.088 969 849 C 53 ASP H C 52 ASN HBx 1.0 1.936 4.636 970 850 C 53 ASP H C 53 ASP HBx 1.0 1.745 3.395 971 850 C 53 ASP H C 53 ASP HBy 1.0 1.745 3.395 972 851 B 53 ASP H B 53 ASP HBy 1.0 1.710 3.246 973 851 B 53 ASP H B 53 ASP HBx 1.0 1.710 3.246 974 852 C 53 ASP H C 52 ASN HBy 1.0 1.908 4.382 975 853 B 53 ASP H B 52 ASN HBy 1.0 1.874 4.120 976 854 B 53 ASP H B 54 ALA HB% 1.0 1.791 6.500 977 855 C 53 ASP H C 54 ALA HB% 1.0 1.865 4.055 978 856 C 56 ALA HB% C 53 ASP H 1.0 1.895 4.275 979 857 C 25 ASP HA C 26 GLN H 1.0 1.733 6.500 980 858 C 26 GLN H C 23 ASN HA 1.0 1.844 6.500 981 859 A 27 LEU HDy% C 14 GLY H 1.0 1.987 5.359 982 860 A 27 LEU HDx% C 14 GLY H 1.0 1.937 4.645 983 861 C 21 ASN H C 19 LEU HA 1.0 1.970 5.044 984 862 C 21 ASN H C 20 PRO HA 1.0 1.963 4.945 985 863 B 20 PRO HA B 21 ASN H 1.0 1.959 4.895 986 864 C 22 LEU HA C 21 ASN H 1.0 1.999 5.759 987 865 B 21 ASN H B 22 LEU HA 1.0 1.998 6.238 988 866 C 21 ASN H C 20 PRO HDx 1.0 1.942 4.698 989 867 B 21 ASN H B 20 PRO HDy 1.0 1.952 4.798 990 868 B 52 ASN HA B 21 ASN H 1.0 1.996 5.652 991 869 B 21 ASN H B 20 PRO HDx 1.0 1.987 5.379 992 870 C 21 ASN H C 20 PRO HDy 1.0 1.997 6.331 993 871 C 21 ASN H C 21 ASN HBy 1.0 1.950 4.782 994 872 C 21 ASN H C 21 ASN HBx 1.0 1.931 4.581 995 873 B 21 ASN H B 21 ASN HBy 1.0 1.929 4.565 996 874 B 21 ASN H B 21 ASN HBx 1.0 1.950 4.794 997 875 B 21 ASN H B 20 PRO HB3 1.0 1.973 5.107 998 876 C 21 ASN H C 20 PRO HB3 1.0 1.973 5.103 999 877 C 21 ASN H C 20 PRO HGy 1.0 1.885 4.203 1000 878 B 21 ASN H B 20 PRO HGy 1.0 1.903 4.333 1001 879 B 21 ASN H B 20 PRO HGx 1.0 1.895 4.271 1002 880 C 21 ASN H C 20 PRO HGx 1.0 1.899 4.301 1003 881 B 21 ASN H B 22 LEU HDy% 1.0 1.973 5.105 1004 882 C 21 ASN H C 22 LEU HDy% 1.0 1.977 5.169 1005 883 C 21 ASN H C 22 LEU HDx% 1.0 1.955 4.855 1006 884 B 21 ASN H B 19 LEU HDy% 1.0 1.999 5.849 1007 884 B 19 LEU HDx% B 21 ASN H 1.0 1.999 5.849 1008 885 C 21 ASN H C 19 LEU HDy% 1.0 1.981 5.233 1009 885 C 21 ASN H C 19 LEU HDx% 1.0 1.981 5.233 1010 886 C 22 LEU H C 21 ASN H 1.0 1.790 3.618 1011 887 B 21 ASN H B 22 LEU H 1.0 1.786 3.594 1012 888 B 22 LEU H B 21 ASN HA 1.0 1.883 4.185 1013 889 C 22 LEU H C 21 ASN HA 1.0 1.891 4.241 1014 890 C 22 LEU H C 21 ASN HBx 1.0 1.974 5.114 1015 891 B 22 LEU H B 21 ASN HBy 1.0 1.972 5.090 1016 892 B 22 LEU H B 19 LEU HBx 1.0 1.774 6.500 1017 893 B 22 LEU H B 22 LEU HBx 1.0 1.761 3.471 1018 893 B 22 LEU H B 22 LEU HG 1.0 1.761 3.471 1019 894 C 22 LEU H C 19 LEU HBy 1.0 1.777 3.555 1020 895 C 22 LEU H C 22 LEU HDy% 1.0 1.823 3.799 1021 896 C 22 LEU H C 22 LEU HDx% 1.0 1.880 4.166 1022 897 B 22 LEU H B 22 LEU HDx% 1.0 1.899 4.299 1023 898 B 22 LEU H B 22 LEU HDy% 1.0 1.838 3.884 1024 899 B 23 ASN H B 23 ASN HBx 1.0 1.949 4.771 1025 900 C 23 ASN H C 23 ASN HBy 1.0 1.926 4.542 1026 901 B 23 ASN H B 23 ASN HBy 1.0 1.871 4.097 1027 902 C 23 ASN H C 23 ASN HBx 1.0 1.859 4.021 1028 903 B 23 ASN H B 22 LEU HDx% 1.0 1.867 4.073 1029 904 C 23 ASN H C 22 LEU HDx% 1.0 1.847 3.941 1030 905 B 25 ASP H B 26 GLN H 1.0 1.708 3.234 1031 906 C 25 ASP H C 26 GLN H 1.0 1.724 3.304 1032 907 C 25 ASP H C 24 PRO HDy 1.0 1.882 4.178 1033 908 B 25 ASP H B 24 PRO HBy 1.0 1.795 3.643 1034 909 C 25 ASP H C 24 PRO HBy 1.0 1.798 3.658 1035 910 C 25 ASP H C 24 PRO HBx 1.0 1.813 3.739 1036 911 B 25 ASP H B 24 PRO HBx 1.0 1.819 3.777 1037 912 B 17 VAL H B 16 ILE HA 1.0 1.725 3.307 1038 913 C 17 VAL H C 16 ILE HA 1.0 1.699 3.199 1039 914 C 16 ILE HA C 16 ILE H 1.0 1.933 4.605 1040 915 C 17 VAL HA C 18 TYR H 1.0 1.609 2.853 1041 916 C 17 VAL H C 17 VAL HA 1.0 1.889 4.223 1042 917 C 18 TYR HA C 18 TYR H 1.0 1.905 4.353 1043 918 C 18 TYR HA C 19 LEU H 1.0 1.813 3.741 1044 919 B 17 VAL H B 17 VAL HA 1.0 1.873 4.113 1045 920 B 18 TYR H B 17 VAL HA 1.0 1.620 2.892 1046 921 C 53 ASP H C 53 ASP HA 1.0 1.728 3.320 1047 922 B 16 ILE HG12 B 16 ILE HA 1.0 1.787 3.599 1048 923 B 16 ILE HG2% B 16 ILE HA 1.0 1.833 3.855 1049 924 B 16 ILE HG12 B 16 ILE HB 1.0 1.653 3.017 1050 925 B 16 ILE H B 16 ILE HB 1.0 1.677 3.105 1051 926 C 16 ILE HD1% C 16 ILE HB 1.0 1.667 3.071 1052 927 C 16 ILE HG2% C 16 ILE HB 1.0 1.677 3.109 1053 928 C 16 ILE HG12 C 16 ILE HB 1.0 1.836 3.878 1054 929 C 16 ILE H C 16 ILE HB 1.0 1.690 3.160 1055 930 C 35 HIS H C 35 HIS HA 1.0 1.760 3.470 1056 931 C 35 HIS HA C 35 HIS HBx 1.0 1.751 3.425 1057 932 C 35 HIS HA C 35 HIS HBy 1.0 1.740 3.376 1058 933 B 35 HIS H B 35 HIS HA 1.0 1.756 3.454 1059 934 C 34 ILE H C 34 ILE HA 1.0 1.777 3.553 1060 935 C 35 HIS H C 34 ILE HA 1.0 1.836 3.876 1061 936 C 34 ILE HA C 34 ILE HB 1.0 1.818 3.772 1062 937 B 34 ILE HA B 34 ILE HG2% 1.0 1.630 2.928 1063 938 B 34 ILE HA B 34 ILE HG1y 1.0 1.812 3.736 1064 939 C 17 VAL HB C 17 VAL HGx% 1.0 1.562 2.694 1065 940 C 17 VAL H C 17 VAL HB 1.0 1.781 3.571 1066 941 B 17 VAL HB B 17 VAL HGy% 1.0 1.546 2.644 1067 942 B 17 VAL HB B 17 VAL HGx% 1.0 1.596 2.808 1068 943 C 25 ASP H C 24 PRO HA 1.0 1.819 3.771 1069 944 B 24 PRO HGx B 24 PRO HBx 1.0 1.737 3.361 1070 944 C 24 PRO HGy C 24 PRO HBx 1.0 1.737 3.361 1071 944 B 24 PRO HBy B 24 PRO HGx 1.0 1.737 3.361 1072 945 B 31 ILE HG2% C 24 PRO HBy 1.0 1.711 3.249 1073 946 B 34 ILE H B 34 ILE HB 1.0 1.686 3.142 1074 947 C 34 ILE H C 34 ILE HB 1.0 1.718 3.276 1075 948 B 34 ILE HA B 34 ILE H 1.0 1.774 3.540 1076 949 B 35 HIS H B 34 ILE HA 1.0 1.920 4.482 1077 950 C 34 ILE HA C 34 ILE HB 1.0 1.774 3.534 1078 951 B 34 ILE HG2% B 34 ILE HB 1.0 1.612 2.864 1079 952 B 34 ILE HD1% B 34 ILE HB 1.0 1.675 6.500 1080 953 C 34 ILE HG2% C 34 ILE HB 1.0 1.666 3.064 1081 954 C 44 LEU HDx% C 34 ILE HB 1.0 1.801 6.500 1082 955 C 34 ILE HD1% C 34 ILE HB 1.0 1.753 3.435 1083 956 C 45 LEU H C 45 LEU HBx 1.0 1.733 3.343 1084 957 C 49 LYS HA C 52 ASN H 1.0 1.886 4.208 1085 958 C 49 LYS H C 49 LYS HA 1.0 1.807 3.709 1086 959 C 32 HIS H C 32 HIS HA 1.0 1.786 3.600 1087 960 C 17 VAL HGy% C 17 VAL HA 1.0 1.698 3.192 1088 961 C 17 VAL HGx% C 17 VAL HA 1.0 1.679 3.115 1089 962 B 48 ALA HA B 48 ALA HB% 1.0 1.563 2.697 1090 963 C 48 ALA HA C 48 ALA HB% 1.0 1.589 2.787 1091 964 B 48 ALA H B 48 ALA HA 1.0 1.744 3.394 1092 965 C 48 ALA HA C 48 ALA H 1.0 1.738 3.370 1093 966 C 49 LYS H C 48 ALA HA 1.0 1.798 3.656 1094 967 C 48 ALA HA C 51 LEU H 1.0 1.814 3.742 1095 968 C 49 LYS H C 48 ALA HB% 1.0 1.654 3.022 1096 969 C 48 ALA H C 48 ALA HB% 1.0 1.539 2.623 1097 970 C 48 ALA HB% C 47 GLU H 1.0 1.794 6.500 1098 971 B 48 ALA H B 48 ALA HB% 1.0 1.542 2.632 1099 972 B 49 LYS H B 48 ALA HB% 1.0 1.676 3.102 1100 973 B 47 GLU H B 48 ALA HB% 1.0 1.780 6.500 1101 974 B 17 VAL HA B 17 VAL HGy% 1.0 1.680 3.120 1102 975 B 17 VAL HA B 17 VAL HGx% 1.0 1.699 3.197 1103 976 C 16 ILE HG2% C 16 ILE HG12 1.0 1.764 3.484 1104 977 C 16 ILE HD1% C 16 ILE HG12 1.0 1.730 3.330 1105 978 C 17 VAL H C 16 ILE HG12 1.0 1.867 6.500 1106 979 C 16 ILE HG12 C 16 ILE H 1.0 1.861 4.035 1107 980 C 16 ILE HG12 C 16 ILE HB 1.0 1.821 3.787 1108 981 C 16 ILE HG12 C 16 ILE HA 1.0 1.940 4.674 1109 982 C 16 ILE HG2% C 16 ILE HA 1.0 1.831 3.843 1110 983 C 16 ILE HG2% A 26 ILE HG1x 1.0 1.737 3.361 1111 983 C 16 ILE HG2% A 26 ILE HG2% 1.0 1.737 3.361 1112 984 C 16 ILE HG2% A 16 LEU HDy% 1.0 1.834 3.862 1113 985 C 16 ILE HG2% C 16 ILE HB 1.0 1.613 2.869 1114 986 C 16 ILE HD1% C 16 ILE HG2% 1.0 1.502 2.508 1115 987 C 16 ILE HG2% A 26 ILE HD1% 1.0 1.721 3.291 1116 988 C 16 ILE HG2% C 16 ILE HG12 1.0 1.740 3.372 1117 989 A 16 LEU HDx% C 16 ILE HG2% 1.0 1.479 2.439 1118 990 C 16 ILE HD1% C 16 ILE HB 1.0 1.656 3.028 1119 991 C 16 ILE HD1% C 16 ILE HG12 1.0 1.576 2.742 1120 992 A 16 LEU HDx% C 16 ILE HD1% 1.0 1.469 2.409 1121 993 C 16 ILE HD1% C 16 ILE HG2% 1.0 1.551 2.661 1122 994 C 16 ILE HG2% C 16 ILE HA 1.0 1.725 3.309 1123 995 C 16 ILE HG2% C 16 ILE H 1.0 1.802 6.500 1124 996 C 16 ILE HG2% A 26 ILE H 1.0 1.823 6.500 1125 997 C 17 VAL H C 16 ILE HG2% 1.0 1.684 3.138 1126 998 C 16 ILE HG2% C 18 TYR HE% 1.0 1.750 3.424 1127 999 C 17 VAL H C 16 ILE HD1% 1.0 1.864 6.500 1128 1000 C 16 ILE HD1% C 16 ILE H 1.0 1.776 6.500 1129 1001 B 16 ILE HG12 B 16 ILE HG2% 1.0 1.730 3.334 1130 1002 B 16 ILE HG12 B 16 ILE HB 1.0 1.689 3.153 1131 1003 B 16 ILE HG12 A 18 HIS HD2 1.0 1.749 3.419 1132 1004 B 16 ILE HG12 B 16 ILE H 1.0 1.834 3.860 1133 1005 B 17 VAL H B 16 ILE HG2% 1.0 1.714 3.258 1134 1006 B 16 ILE HG2% B 16 ILE H 1.0 1.801 6.500 1135 1007 B 16 ILE HG2% B 16 ILE HB 1.0 1.623 2.905 1136 1008 B 16 ILE HG12 B 16 ILE HG2% 1.0 1.495 2.483 1137 1009 A 16 LEU HDx% B 16 ILE HG2% 1.0 1.501 2.503 1138 1010 B 16 ILE HD1% B 16 ILE H 1.0 1.804 3.690 1139 1011 B 16 ILE HD1% A 18 HIS HD2 1.0 1.630 2.930 1140 1012 B 16 ILE HD1% B 16 ILE HB 1.0 1.602 2.830 1141 1013 B 16 ILE HD1% B 16 ILE HG2% 1.0 1.543 2.631 1142 1014 B 16 ILE HG2% B 16 ILE HB 1.0 1.681 3.127 1143 1015 B 18 TYR H B 17 VAL HGy% 1.0 1.768 3.508 1144 1016 B 17 VAL H B 17 VAL HGy% 1.0 1.676 3.108 1145 1017 B 17 VAL HA B 17 VAL HGy% 1.0 1.624 2.908 1146 1018 B 17 VAL HB B 17 VAL HGy% 1.0 1.636 2.952 1147 1019 B 17 VAL HGy% B 17 VAL HGx% 1.0 1.350 2.090 1148 1020 C 17 VAL H C 17 VAL HGx% 1.0 1.723 6.500 1149 1021 B 17 VAL H B 17 VAL HGx% 1.0 1.832 3.848 1150 1022 B 18 TYR H B 17 VAL HGx% 1.0 1.608 6.500 1151 1022 A 25 ALA H C 17 VAL HGx% 1.0 1.608 6.500 1152 1023 C 17 VAL HGx% C 18 TYR H 1.0 1.729 6.500 1153 1024 C 17 VAL HB C 17 VAL HGx% 1.0 1.497 2.489 1154 1025 B 17 VAL HB B 17 VAL HGx% 1.0 1.539 2.621 1155 1026 C 17 VAL HGx% C 49 LYS HGx 1.0 1.614 2.870 1156 1026 C 17 VAL HGx% C 49 LYS HGy 1.0 1.614 2.870 1157 1027 C 17 VAL HGx% C 49 LYS HBx 1.0 1.805 3.697 1158 1028 B 17 VAL HGy% B 17 VAL HGx% 1.0 1.213 6.500 1159 1029 B 19 LEU HDx% B 17 VAL HGx% 1.0 1.412 2.252 1160 1030 C 17 VAL HB C 17 VAL HA 1.0 1.616 6.500 1161 1031 C 17 VAL HB C 17 VAL HGy% 1.0 1.319 2.013 1162 1032 C 17 VAL HB C 17 VAL HGy% 1.0 1.522 2.568 1163 1033 C 17 VAL HGx% C 17 VAL HGy% 1.0 1.312 1.996 1164 1034 C 17 VAL H C 17 VAL HGy% 1.0 1.869 4.085 1165 1035 B 34 ILE HG1y B 34 ILE HB 1.0 1.852 3.974 1166 1036 B 34 ILE HB B 34 ILE HG1x 1.0 1.805 3.695 1167 1037 B 34 ILE HA B 34 ILE HB 1.0 1.742 3.384 1168 1038 B 34 ILE HG1y B 34 ILE HB 1.0 1.857 4.001 1169 1039 B 34 ILE HB B 34 ILE HG1x 1.0 1.854 3.986 1170 1040 B 34 ILE HG1y B 34 ILE HG1x 1.0 1.639 2.961 1171 1041 B 34 ILE HG2% B 34 ILE HG1y 1.0 1.704 3.216 1172 1042 B 34 ILE HD1% B 34 ILE HG1y 1.0 1.639 2.965 1173 1043 B 34 ILE HG1y B 34 ILE HG1x 1.0 1.627 2.919 1174 1044 B 34 ILE HG2% B 34 ILE HG1x 1.0 1.766 3.496 1175 1045 B 34 ILE HD1% B 34 ILE HG1x 1.0 1.630 2.928 1176 1046 B 34 ILE H B 34 ILE HG1x 1.0 1.802 3.678 1177 1047 B 34 ILE H B 34 ILE HG1y 1.0 1.760 3.470 1178 1048 B 34 ILE H B 34 ILE HG2% 1.0 1.655 6.500 1179 1049 B 34 ILE HA B 34 ILE HG2% 1.0 1.736 3.356 1180 1050 B 34 ILE HG2% B 34 ILE HB 1.0 1.622 2.900 1181 1051 B 34 ILE HD1% B 34 ILE HG2% 1.0 1.319 2.011 1182 1052 B 34 ILE HG2% B 34 ILE HG1y 1.0 1.716 3.268 1183 1053 B 34 ILE HD1% B 34 ILE HA 1.0 1.655 3.019 1184 1054 B 34 ILE HD1% B 34 ILE H 1.0 1.769 3.513 1185 1055 C 34 ILE H C 34 ILE HD1% 1.0 1.784 3.586 1186 1056 B 34 ILE HD1% B 34 ILE HA 1.0 1.763 3.487 1187 1057 B 34 ILE HD1% B 34 ILE HB 1.0 1.811 3.729 1188 1058 C 34 ILE HG1y C 34 ILE HD1% 1.0 1.539 2.619 1189 1059 B 34 ILE HD1% B 34 ILE HG1y 1.0 1.659 3.035 1190 1060 B 34 ILE HD1% B 34 ILE HG2% 1.0 1.414 2.256 1191 1061 C 34 ILE H C 34 ILE HG2% 1.0 1.678 6.500 1192 1062 C 34 ILE H C 34 ILE HG1x 1.0 1.830 3.836 1193 1063 C 34 ILE H C 34 ILE HG1y 1.0 1.840 3.898 1194 1064 C 34 ILE HG2% C 34 ILE HB 1.0 1.647 2.995 1195 1065 C 34 ILE HD1% C 34 ILE HB 1.0 1.769 3.513 1196 1066 C 35 HIS H C 34 ILE HG2% 1.0 1.776 3.544 1197 1067 C 34 ILE HG1y C 34 ILE HG1x 1.0 1.750 3.422 1198 1068 C 34 ILE HG1y C 34 ILE HG1x 1.0 1.713 3.255 1199 1069 C 34 ILE HG2% C 34 ILE HG1y 1.0 1.735 3.355 1200 1070 C 34 ILE HG1y C 34 ILE HD1% 1.0 1.683 3.133 1201 1071 C 34 ILE HG2% C 34 ILE HG1x 1.0 1.737 3.363 1202 1072 C 44 LEU HDx% C 34 ILE HG1x 1.0 1.808 3.716 1203 1073 C 34 ILE HD1% C 34 ILE HG1x 1.0 1.718 3.276 1204 1074 C 34 ILE HG2% C 34 ILE HA 1.0 1.693 3.175 1205 1075 C 34 ILE HG2% C 34 ILE HG1y 1.0 1.566 2.706 1206 1076 B 34 ILE HD1% B 31 ILE HD1% 1.0 1.753 6.500 1207 1077 C 34 ILE HG2% C 34 ILE HD1% 1.0 1.459 2.379 1208 1078 C 34 ILE HD1% C 34 ILE HG1x 1.0 1.778 3.558 1209 1079 B 34 ILE HD1% B 34 ILE HG1x 1.0 1.746 3.402 1210 1080 B 45 LEU H B 45 LEU HA 1.0 1.795 3.645 1211 1081 B 45 LEU H B 45 LEU HBx 1.0 1.635 2.945 1212 1082 B 46 ALA H B 45 LEU HBx 1.0 1.733 6.500 1213 1083 B 45 LEU H B 45 LEU HG 1.0 1.784 3.584 1214 1084 B 45 LEU HBx B 45 LEU HG 1.0 1.626 6.500 1215 1085 B 46 ALA H B 45 LEU HG 1.0 1.864 4.048 1216 1086 B 45 LEU HA B 45 LEU HG 1.0 1.804 3.690 1217 1087 C 42 ALA HA C 42 ALA HB% 1.0 1.546 2.642 1218 1088 A 27 LEU HDy% C 42 ALA HA 1.0 1.719 3.283 1219 1089 A 27 LEU HDx% C 42 ALA HA 1.0 1.745 3.397 1220 1090 C 42 ALA HA C 42 ALA H 1.0 1.707 3.229 1221 1091 A 27 LEU HDy% C 42 ALA HB% 1.0 1.592 2.796 1222 1092 A 27 LEU HDx% C 42 ALA HB% 1.0 1.688 3.152 1223 1093 C 42 ALA H C 42 ALA HB% 1.0 1.488 2.464 1224 1094 C 56 ALA H C 56 ALA HB% 1.0 1.372 2.144 1225 1095 B 56 ALA H B 56 ALA HB% 1.0 1.327 2.031 1226 1096 C 31 ILE HG2% C 31 ILE HA 1.0 1.774 3.534 1227 1097 C 31 ILE HD1% C 31 ILE HA 1.0 1.789 3.615 1228 1098 C 31 ILE H C 31 ILE HA 1.0 1.864 4.050 1229 1099 C 31 ILE HA C 27 LEU HDy% 1.0 1.894 6.500 1230 1100 C 31 ILE HG1y C 31 ILE HA 1.0 1.863 4.043 1231 1101 C 31 ILE HG2% C 31 ILE HB 1.0 1.718 3.280 1232 1101 B 31 ILE HG2% B 31 ILE HB 1.0 1.718 3.280 1233 1102 C 31 ILE HD1% C 31 ILE HB 1.0 1.709 3.239 1234 1102 B 31 ILE HD1% B 31 ILE HB 1.0 1.709 3.239 1235 1103 C 31 ILE H C 31 ILE HB 1.0 1.815 3.753 1236 1104 C 31 ILE HG1y C 31 ILE H 1.0 1.823 3.799 1237 1105 C 31 ILE HG1y C 31 ILE HD1% 1.0 1.583 2.763 1238 1106 C 31 ILE HB C 31 ILE HA 1.0 1.919 4.471 1239 1107 C 31 ILE HG1y C 31 ILE HA 1.0 1.814 3.748 1240 1108 C 31 ILE HG1y C 31 ILE HG2% 1.0 1.774 3.538 1241 1109 C 31 ILE HG1y C 31 ILE HG1x 1.0 1.823 3.795 1242 1110 C 31 ILE HG2% C 31 ILE HG1x 1.0 1.893 4.261 1243 1111 C 31 ILE HA C 31 ILE HG1x 1.0 1.843 3.913 1244 1112 C 31 ILE H C 31 ILE HG2% 1.0 1.768 6.500 1245 1113 C 31 ILE HG2% C 32 HIS H 1.0 1.710 3.246 1246 1114 B 31 ILE H B 31 ILE HG2% 1.0 1.709 6.500 1247 1115 B 32 HIS H B 31 ILE HG2% 1.0 1.801 3.675 1248 1116 C 31 ILE HG2% C 31 ILE HA 1.0 1.671 3.085 1249 1117 B 31 ILE HD1% B 31 ILE HG2% 1.0 1.407 2.237 1250 1117 C 31 ILE HD1% C 31 ILE HG2% 1.0 1.407 2.237 1251 1118 C 31 ILE HG2% B 27 LEU HDy% 1.0 1.528 2.586 1252 1119 B 31 ILE HG2% B 31 ILE HB 1.0 1.617 2.879 1253 1119 C 31 ILE HG2% C 31 ILE HB 1.0 1.617 2.879 1254 1120 C 31 ILE HG2% B 27 LEU HBy 1.0 1.699 3.195 1255 1121 B 31 ILE HA B 31 ILE HG2% 1.0 1.723 3.303 1256 1122 C 31 ILE H C 31 ILE HD1% 1.0 1.750 6.500 1257 1123 C 31 ILE HD1% C 31 ILE HA 1.0 1.780 6.500 1258 1124 C 31 ILE HD1% C 31 ILE HB 1.0 1.783 3.581 1259 1125 C 31 ILE HG1y C 31 ILE HD1% 1.0 1.689 3.157 1260 1126 C 31 ILE HD1% B 27 LEU HG 1.0 1.892 4.244 1261 1127 B 31 ILE HD1% B 31 ILE HG2% 1.0 1.536 2.610 1262 1127 C 31 ILE HD1% C 31 ILE HG2% 1.0 1.536 2.610 1263 1128 B 27 LEU HDx% C 31 ILE HD1% 1.0 1.701 3.205 1264 1129 C 31 ILE HD1% B 27 LEU HDy% 1.0 1.743 3.385 1265 1130 B 24 PRO HA B 27 LEU HBy 1.0 1.849 3.953 1266 1131 B 24 PRO HA B 24 PRO HBy 1.0 1.737 3.361 1267 1131 C 24 PRO HA C 24 PRO HBx 1.0 1.737 3.361 1268 1132 B 24 PRO HA B 24 PRO HBy 1.0 1.757 3.457 1269 1132 C 24 PRO HA C 24 PRO HBy 1.0 1.757 3.457 1270 1133 C 24 PRO HA C 24 PRO HBx 1.0 1.739 3.371 1271 1134 B 31 ILE HG2% C 24 PRO HA 1.0 1.697 3.187 1272 1135 B 31 ILE HD1% C 24 PRO HA 1.0 1.856 3.996 1273 1136 B 17 VAL H B 17 VAL HB 1.0 1.805 3.699 1274 1137 B 17 VAL HGy% B 15 GLU HBx 1.0 1.982 5.260 1275 1138 B 17 VAL HGy% B 49 LYS HDx 1.0 1.954 7.262 1276 1139 B 17 VAL HGy% B 19 LEU HDy% 1.0 1.916 4.444 1277 1139 B 19 LEU HDx% B 17 VAL HGy% 1.0 1.916 4.444 1278 1140 B 34 ILE HA B 34 ILE HB 1.0 1.837 3.879 1279 1141 B 34 ILE HB B 35 HIS HBy 1.0 1.827 3.821 1280 1142 B 35 HIS H B 34 ILE HG2% 1.0 1.820 3.778 1281 1143 C 56 ALA HB% C 56 ALA HA 1.0 1.446 2.342 1282 1143 B 56 ALA HA B 56 ALA HB% 1.0 1.446 2.342 1283 1144 C 42 ALA HA C 42 ALA HB% 1.0 1.525 2.575 1284 1145 B 16 ILE H B 15 GLU HA 1.0 1.563 2.699 1285 1146 B 15 GLU H B 15 GLU HA 1.0 1.574 6.500 1286 1147 B 16 ILE H B 15 GLU HBy 1.0 1.753 6.500 1287 1148 B 16 ILE H B 15 GLU HBx 1.0 1.769 3.511 1288 1149 B 15 GLU H B 15 GLU HBx 1.0 1.675 6.500 1289 1150 B 15 GLU H B 15 GLU HBy 1.0 1.664 3.056 1290 1151 B 15 GLU HBx B 15 GLU HGx 1.0 1.639 2.965 1291 1152 B 15 GLU HBx B 15 GLU HGy 1.0 1.675 3.099 1292 1153 C 15 GLU HBx C 15 GLU HGy 1.0 1.555 2.671 1293 1154 B 15 GLU H B 15 GLU HGx 1.0 1.700 3.202 1294 1155 B 15 GLU H B 15 GLU HGy 1.0 1.713 3.257 1295 1156 B 16 ILE H B 15 GLU HGx 1.0 1.844 3.920 1296 1157 C 15 GLU HBy C 15 GLU HGx 1.0 1.490 2.468 1297 1158 C 15 GLU H C 15 GLU HA 1.0 1.511 6.500 1298 1159 C 15 GLU HBx C 15 GLU HA 1.0 1.686 3.148 1299 1160 C 15 GLU HBy C 15 GLU HA 1.0 1.592 2.796 1300 1161 C 15 GLU HBy C 15 GLU HBx 1.0 1.505 2.515 1301 1162 C 15 GLU HBy C 15 GLU HBx 1.0 1.447 2.347 1302 1163 C 15 GLU HBy C 15 GLU HGy 1.0 1.638 2.958 1303 1164 C 15 GLU HBy C 15 GLU HGx 1.0 1.573 2.729 1304 1165 C 15 GLU HBx C 15 GLU HGy 1.0 1.689 3.155 1305 1166 C 15 GLU HBx C 15 GLU HGx 1.0 1.624 2.908 1306 1167 C 15 GLU HBy C 16 ILE HB 1.0 1.853 6.500 1307 1168 C 15 GLU H C 15 GLU HBy 1.0 1.679 6.500 1308 1169 C 15 GLU H C 15 GLU HBx 1.0 1.593 2.799 1309 1170 C 15 GLU HBy C 16 ILE H 1.0 1.798 3.656 1310 1171 C 16 ILE H C 15 GLU HBx 1.0 1.784 3.588 1311 1172 C 15 GLU HGy C 15 GLU HGx 1.0 1.281 1.921 1312 1173 C 15 GLU HGy C 15 GLU HGx 1.0 1.314 2.000 1313 1174 C 15 GLU HBy C 15 GLU HGy 1.0 1.484 2.452 1314 1175 C 15 GLU H C 15 GLU HGx 1.0 1.709 3.239 1315 1176 C 15 GLU H C 15 GLU HGy 1.0 1.720 6.500 1316 1177 B 49 LYS HA B 49 LYS HBy 1.0 1.771 3.521 1317 1178 B 49 LYS HA B 49 LYS HBx 1.0 1.864 4.050 1318 1179 B 49 LYS HBx B 49 LYS HBy 1.0 1.513 2.537 1319 1180 B 49 LYS HBx B 49 LYS HBy 1.0 1.462 2.390 1320 1181 B 50 LYS H B 49 LYS HBy 1.0 1.740 3.378 1321 1182 B 49 LYS H B 49 LYS HBy 1.0 1.625 2.913 1322 1183 B 49 LYS H B 49 LYS HBx 1.0 1.613 6.500 1323 1184 C 31 ILE HG2% B 27 LEU HBx 1.0 1.794 3.638 1324 1184 B 31 ILE HG2% C 27 LEU HBx 1.0 1.794 3.638 1325 1185 C 31 ILE HG2% B 27 LEU HBy 1.0 1.740 3.380 1326 1186 C 31 ILE HD1% B 27 LEU HBy 1.0 1.721 3.291 1327 1187 B 31 ILE HD1% B 27 LEU HBx 1.0 1.735 3.355 1328 1187 C 31 ILE HD1% B 27 LEU HBx 1.0 1.735 3.355 1329 1188 B 27 LEU H B 27 LEU HBy 1.0 1.708 3.234 1330 1189 B 27 LEU H B 27 LEU HBx 1.0 1.859 4.021 1331 1190 C 44 LEU H C 44 LEU HBy 1.0 1.799 3.663 1332 1191 C 44 LEU H C 44 LEU HBx 1.0 1.812 3.736 1333 1192 B 31 ILE HD1% B 31 ILE H 1.0 1.750 3.422 1334 1193 B 27 LEU HBy B 27 LEU HBx 1.0 1.698 3.192 1335 1193 C 27 LEU HBx C 27 LEU HBy 1.0 1.698 3.192 1336 1194 B 31 ILE HD1% B 27 LEU HBx 1.0 1.800 3.672 1337 1195 B 31 ILE HD1% B 31 ILE HG1x 1.0 1.637 2.955 1338 1196 B 31 ILE HD1% C 27 LEU HG 1.0 1.730 3.334 1339 1196 C 31 ILE HD1% B 27 LEU HG 1.0 1.730 3.334 1340 1197 C 31 ILE HG2% B 27 LEU HG 1.0 1.844 3.920 1341 1197 B 31 ILE HG2% C 27 LEU HG 1.0 1.844 3.920 1342 1198 B 27 LEU HBy B 27 LEU HG 1.0 1.591 2.793 1343 1199 B 27 LEU H B 27 LEU HG 1.0 1.771 3.523 1344 1200 C 27 LEU H C 27 LEU HG 1.0 1.796 3.648 1345 1201 C 31 ILE HG2% B 27 LEU HG 1.0 1.727 6.500 1346 1202 B 27 LEU HDy% B 27 LEU HBy 1.0 1.374 2.152 1347 1203 C 27 LEU HDy% C 27 LEU HG 1.0 1.388 2.188 1348 1203 B 27 LEU HDy% B 27 LEU HG 1.0 1.388 2.188 1349 1204 C 31 ILE HG2% B 27 LEU HDy% 1.0 1.342 2.068 1350 1205 C 31 ILE HD1% B 27 LEU HDy% 1.0 1.572 2.728 1351 1205 B 31 ILE HD1% C 27 LEU HDy% 1.0 1.572 2.728 1352 1206 B 31 ILE HD1% C 27 LEU HDx% 1.0 1.588 2.780 1353 1206 B 31 ILE HD1% B 27 LEU HDx% 1.0 1.588 2.780 1354 1207 B 27 LEU H B 27 LEU HDy% 1.0 1.635 6.500 1355 1208 B 27 LEU HDx% B 27 LEU H 1.0 1.748 3.414 1356 1209 C 27 LEU HBy C 27 LEU HDx% 1.0 1.456 2.370 1357 1210 C 27 LEU HG C 27 LEU HDx% 1.0 1.462 2.388 1358 1210 B 27 LEU HDx% B 27 LEU HG 1.0 1.462 2.388 1359 1211 B 31 ILE HG2% C 27 LEU HDx% 1.0 1.442 2.332 1360 1212 B 44 LEU HDx% B 44 LEU HBx 1.0 1.754 3.442 1361 1212 C 44 LEU HBy C 44 LEU HDy% 1.0 1.754 3.442 1362 1213 C 44 LEU HDy% C 44 LEU HG 1.0 1.605 2.839 1363 1213 B 44 LEU HDx% B 44 LEU HG 1.0 1.605 2.839 1364 1214 B 44 LEU HDy% B 44 LEU HG 1.0 1.659 3.035 1365 1215 C 44 LEU HDx% C 44 LEU HG 1.0 1.649 2.997 1366 1216 B 44 LEU H B 44 LEU HDy% 1.0 1.734 3.352 1367 1217 C 44 LEU H C 44 LEU HG 1.0 1.750 6.500 1368 1218 C 44 LEU H C 44 LEU HDy% 1.0 1.732 3.340 1369 1219 C 44 LEU H C 44 LEU HDx% 1.0 1.752 3.430 1370 1220 C 44 LEU HDx% C 44 LEU HBy 1.0 1.716 3.270 1371 1221 B 44 LEU HDy% B 44 LEU HBx 1.0 1.739 3.373 1372 1222 B 44 LEU H B 44 LEU HBx 1.0 1.761 3.473 1373 1223 B 44 LEU H B 44 LEU HBy 1.0 1.836 3.872 1374 1224 B 44 LEU H B 44 LEU HG 1.0 1.715 6.500 1375 1225 B 44 LEU H B 44 LEU HDx% 1.0 1.705 3.221 1376 1226 B 44 LEU HBx B 44 LEU HBy 1.0 1.717 3.271 1377 1226 C 44 LEU HBy C 44 LEU HBx 1.0 1.717 3.271 1378 1227 B 44 LEU HDx% B 44 LEU HBy 1.0 1.706 3.228 1379 1227 C 44 LEU HBx C 44 LEU HDy% 1.0 1.706 3.228 1380 1228 C 44 LEU HDx% C 44 LEU HBx 1.0 1.677 3.107 1381 1229 C 44 LEU HBx C 44 LEU HG 1.0 1.712 3.252 1382 1229 B 44 LEU HG B 44 LEU HBy 1.0 1.712 3.252 1383 1230 B 44 LEU HBx B 44 LEU HG 1.0 1.795 3.645 1384 1230 C 44 LEU HBy C 44 LEU HG 1.0 1.795 3.645 1385 1231 B 44 LEU HDx% B 44 LEU HBx 1.0 1.647 2.993 1386 1231 C 44 LEU HBy C 44 LEU HDy% 1.0 1.647 2.993 1387 1232 C 44 LEU HDy% C 44 LEU HG 1.0 1.458 2.378 1388 1232 B 44 LEU HDx% B 44 LEU HG 1.0 1.458 2.378 1389 1233 B 44 LEU HDy% B 44 LEU HG 1.0 1.516 2.548 1390 1233 C 44 LEU HDx% C 44 LEU HG 1.0 1.516 2.548 1391 1234 B 44 LEU HDy% B 44 LEU HBx 1.0 1.645 2.985 1392 1234 C 44 LEU HDx% C 44 LEU HBy 1.0 1.645 2.985 1393 1235 C 44 LEU HDx% C 44 LEU HBx 1.0 1.732 3.340 1394 1236 B 44 LEU HDx% B 44 LEU HBy 1.0 1.692 3.170 1395 1236 C 44 LEU HBx C 44 LEU HDy% 1.0 1.692 3.170 1396 1237 C 44 LEU HDx% C 44 LEU HDy% 1.0 1.365 2.129 1397 1238 B 44 LEU HDy% B 44 LEU HDx% 1.0 1.405 2.231 1398 1239 C 44 LEU HDx% C 44 LEU HDy% 1.0 1.416 2.262 1399 1240 B 44 LEU HDy% B 44 LEU HDx% 1.0 1.453 2.363 1400 1241 B 31 ILE H B 31 ILE HG1y 1.0 1.763 3.481 1401 1242 B 31 ILE HG1x B 31 ILE H 1.0 1.847 3.939 1402 1243 B 31 ILE HD1% B 31 ILE HG1x 1.0 1.695 3.179 1403 1244 B 31 ILE HD1% B 31 ILE HG1y 1.0 1.645 2.985 1404 1245 B 31 ILE HG1x B 31 ILE HG1y 1.0 1.708 3.236 1405 1246 B 31 ILE HG1x B 31 ILE HG1y 1.0 1.758 3.460 1406 1247 C 31 ILE HD1% C 31 ILE HG1x 1.0 1.807 3.707 1407 1248 B 31 ILE HG1x B 31 ILE HA 1.0 1.833 3.855 1408 1249 B 31 ILE HD1% B 31 ILE HG1y 1.0 1.666 3.066 1409 1250 C 31 ILE HB C 32 HIS H 1.0 1.788 3.608 1410 1251 B 31 ILE H B 31 ILE HB 1.0 1.782 3.576 1411 1252 B 32 HIS H B 31 ILE HB 1.0 1.873 4.111 1412 1253 B 31 ILE HD1% B 31 ILE HB 1.0 1.784 3.586 1413 1254 B 31 ILE HD1% B 27 LEU HBy 1.0 1.799 3.665 1414 1255 C 31 ILE HD1% B 27 LEU HG 1.0 1.831 3.845 1415 1256 B 27 LEU H B 24 PRO HA 1.0 1.869 4.089 1416 1257 B 31 ILE HG2% C 24 PRO HGx 1.0 1.804 3.696 1417 1258 C 31 ILE HG2% B 24 PRO HGx 1.0 1.835 6.500 1418 1259 B 24 PRO HGx B 24 PRO HDx 1.0 1.826 3.810 1419 1259 C 24 PRO HGy C 24 PRO HDx 1.0 1.826 3.810 1420 1260 C 24 PRO HDy C 24 PRO HGy 1.0 1.800 3.668 1421 1260 B 24 PRO HDy B 24 PRO HGx 1.0 1.800 3.668 1422 1261 C 24 PRO HGx C 24 PRO HDx 1.0 1.883 4.187 1423 1261 B 24 PRO HDx B 24 PRO HGy 1.0 1.883 4.187 1424 1262 B 24 PRO HDy B 24 PRO HGy 1.0 1.841 3.905 1425 1262 C 24 PRO HDy C 24 PRO HGx 1.0 1.841 3.905 1426 1263 B 27 LEU H B 27 LEU HA 1.0 1.721 3.291 1427 1264 C 27 LEU HA C 27 LEU H 1.0 1.746 3.400 1428 1265 C 27 LEU H C 27 LEU HBy 1.0 1.758 3.458 1429 1266 C 27 LEU H C 27 LEU HDy% 1.0 1.703 6.500 1430 1267 C 27 LEU H C 27 LEU HDx% 1.0 1.769 3.511 1431 1268 B 31 ILE HA B 31 ILE H 1.0 1.837 3.875 1432 1269 B 31 ILE HA B 31 ILE HG2% 1.0 1.752 3.432 1433 1270 B 31 ILE HD1% B 31 ILE HA 1.0 1.828 3.824 1434 1271 B 31 ILE HG1x B 31 ILE HA 1.0 1.858 4.012 1435 1272 C 35 HIS H C 34 ILE HB 1.0 1.850 3.960 1436 1273 B 35 HIS H B 34 ILE HB 1.0 1.827 3.819 1437 1274 B 34 ILE HD1% B 35 HIS H 1.0 1.866 6.500 1438 1275 C 44 LEU H C 34 ILE HD1% 1.0 1.793 3.635 1439 1276 C 34 ILE HG1y C 34 ILE HB 1.0 1.840 3.896 1440 1277 C 34 ILE HB C 34 ILE HG1x 1.0 1.850 3.960 1441 1278 C 45 LEU H C 45 LEU HA 1.0 1.746 3.402 1442 1279 C 45 LEU H C 45 LEU HBy 1.0 1.727 3.317 1443 1280 C 45 LEU HBx C 46 ALA H 1.0 1.827 3.819 1444 1281 C 46 ALA H C 45 LEU HBy 1.0 1.813 3.743 1445 1282 C 45 LEU HBx C 45 LEU HBy 1.0 1.725 3.305 1446 1283 C 45 LEU HBx C 45 LEU HBy 1.0 1.681 3.123 1447 1284 C 45 LEU HBx C 45 LEU HG 1.0 1.764 3.490 1448 1285 C 45 LEU H C 45 LEU HG 1.0 1.789 6.500 1449 1286 C 45 LEU HG C 46 ALA H 1.0 1.844 6.500 1450 1287 C 45 LEU HBx C 45 LEU HG 1.0 1.664 3.056 1451 1288 C 45 LEU HG C 45 LEU HBy 1.0 1.656 3.026 1452 1289 B 49 LYS H B 49 LYS HA 1.0 1.772 3.526 1453 1290 B 52 ASN H B 49 LYS HA 1.0 1.838 3.884 1454 1291 C 49 LYS H C 49 LYS HGx 1.0 1.701 3.207 1455 1291 C 49 LYS H C 49 LYS HGy 1.0 1.701 3.207 1456 1292 B 39 SER H B 38 PRO HBy 1.0 1.883 4.181 1457 1293 C 49 LYS H C 49 LYS HBx 1.0 1.675 3.099 1458 1294 C 49 LYS H C 49 LYS HBy 1.0 1.660 6.500 1459 1295 C 50 LYS H C 49 LYS HBy 1.0 1.761 3.475 1460 1296 C 50 LYS H C 49 LYS HBx 1.0 1.826 3.816 1461 1297 C 49 LYS HA C 49 LYS HBy 1.0 1.873 4.113 1462 1298 C 49 LYS HA C 49 LYS HBx 1.0 1.827 3.819 1463 1299 B 49 LYS H B 49 LYS HGx 1.0 1.792 3.630 1464 1300 B 49 LYS H B 49 LYS HGy 1.0 1.737 3.361 1465 1301 C 49 LYS HA C 49 LYS HGx 1.0 1.773 3.531 1466 1301 C 49 LYS HA C 49 LYS HGy 1.0 1.773 3.531 1467 1302 B 49 LYS HA B 49 LYS HGx 1.0 1.768 3.504 1468 1302 B 49 LYS HA B 49 LYS HGy 1.0 1.768 3.504 1469 1303 B 49 LYS HBy B 49 LYS HGx 1.0 1.627 2.921 1470 1304 B 49 LYS HBy B 49 LYS HGy 1.0 1.610 2.860 1471 1305 B 49 LYS HBx B 49 LYS HGy 1.0 1.708 3.234 1472 1306 C 49 LYS HBy C 49 LYS HGx 1.0 1.717 3.277 1473 1306 C 49 LYS HGy C 49 LYS HBy 1.0 1.717 3.277 1474 1307 C 17 VAL HGx% C 49 LYS HGx 1.0 1.677 3.107 1475 1307 C 17 VAL HGx% C 49 LYS HGy 1.0 1.677 3.107 1476 1308 B 17 VAL HGy% B 49 LYS HE2 1.0 1.711 3.249 1477 1308 B 17 VAL HGy% B 49 LYS HE3 1.0 1.711 3.249 1478 1309 C 17 VAL HGx% C 49 LYS HEx 1.0 1.711 3.245 1479 1309 C 17 VAL HGx% C 49 LYS HEy 1.0 1.711 3.245 1480 1310 C 17 VAL HGx% C 49 LYS HBx 1.0 1.792 3.628 1481 1311 B 17 VAL HGx% B 49 LYS HGy 1.0 1.685 3.139 1482 1312 B 17 VAL HGx% B 49 LYS HGx 1.0 1.736 3.356 1483 1313 B 49 LYS HE2 B 49 LYS HGx 1.0 1.800 3.670 1484 1313 B 49 LYS HE3 B 49 LYS HGx 1.0 1.800 3.670 1485 1313 B 49 LYS HGy B 49 LYS HE2 1.0 1.800 3.670 1486 1313 B 49 LYS HGy B 49 LYS HE3 1.0 1.800 3.670 1487 1314 C 49 LYS HGy C 49 LYS HEx 1.0 1.783 3.581 1488 1314 C 49 LYS HEx C 49 LYS HGx 1.0 1.783 3.581 1489 1315 C 49 LYS HGy C 49 LYS HEy 1.0 1.782 3.578 1490 1315 C 49 LYS HEy C 49 LYS HGx 1.0 1.782 3.578 1491 1316 B 49 LYS HDy B 17 VAL HGy% 1.0 1.819 3.777 1492 1317 C 17 VAL HGx% C 49 LYS HDy 1.0 1.923 4.503 1493 1317 B 49 LYS HDy B 17 VAL HGx% 1.0 1.923 4.503 1494 1318 B 17 VAL HGy% B 49 LYS HDx 1.0 1.742 3.384 1495 1319 C 17 VAL HGx% C 49 LYS HDx 1.0 1.793 3.635 1496 1319 B 17 VAL HGx% B 49 LYS HDx 1.0 1.793 3.635 1497 1320 C 17 VAL HGx% C 19 LEU HG 1.0 1.882 4.178 1498 1321 C 17 VAL HGy% C 17 VAL HA 1.0 1.801 3.679 1499 1322 C 17 VAL HGx% C 17 VAL HA 1.0 1.787 3.599 1500 1323 B 17 VAL HGx% B 49 LYS HDx 1.0 1.869 4.087 1501 1324 B 22 LEU H B 22 LEU HA 1.0 1.799 3.663 1502 1325 B 23 ASN H B 22 LEU HA 1.0 1.687 3.147 1503 1326 C 22 LEU HA C 23 ASN H 1.0 1.669 3.075 1504 1327 C 22 LEU H C 22 LEU HA 1.0 1.873 4.111 1505 1328 C 22 LEU H C 22 LEU HBy 1.0 1.821 3.787 1506 1328 C 22 LEU H C 22 LEU HBx 1.0 1.821 3.787 1507 1329 B 22 LEU H B 22 LEU HBx 1.0 1.785 3.595 1508 1329 B 22 LEU H B 22 LEU HBy 1.0 1.785 3.595 1509 1330 C 22 LEU H C 22 LEU HG 1.0 1.734 3.350 1510 1331 B 22 LEU H B 22 LEU HG 1.0 1.761 3.473 1511 1332 C 22 LEU H C 22 LEU HDy% 1.0 1.718 6.500 1512 1333 B 22 LEU H B 22 LEU HDy% 1.0 1.699 6.500 1513 1334 C 22 LEU H C 22 LEU HDx% 1.0 1.759 3.461 1514 1335 B 22 LEU H B 22 LEU HDx% 1.0 1.753 3.437 1515 1336 B 23 ASN H B 22 LEU HDx% 1.0 1.688 3.154 1516 1337 C 23 ASN H C 22 LEU HDx% 1.0 1.701 3.207 1517 1338 C 52 ASN H C 22 LEU HDx% 1.0 1.599 2.817 1518 1339 B 52 ASN H B 22 LEU HDx% 1.0 1.694 3.174 1519 1340 C 22 LEU HG C 52 ASN H 1.0 1.814 3.744 1520 1341 B 52 ASN H B 22 LEU HG 1.0 1.851 3.965 1521 1342 C 22 LEU HG C 22 LEU HDx% 1.0 1.456 2.372 1522 1342 B 22 LEU HG B 22 LEU HDx% 1.0 1.456 2.372 1523 1343 B 22 LEU HDx% B 27 LEU HG 1.0 1.600 6.500 1524 1344 B 51 LEU HDy% B 22 LEU HDx% 1.0 1.396 2.206 1525 1345 B 22 LEU HDy% B 22 LEU HDx% 1.0 1.350 2.088 1526 1345 C 22 LEU HDy% C 22 LEU HDx% 1.0 1.350 2.088 1527 1346 B 22 LEU HDy% B 22 LEU HG 1.0 1.578 2.748 1528 1347 B 22 LEU HG B 22 LEU HDx% 1.0 1.560 2.688 1529 1348 B 27 LEU HDx% B 22 LEU HG 1.0 1.637 6.500 1530 1349 C 22 LEU HA C 22 LEU HDx% 1.0 1.644 2.980 1531 1350 C 22 LEU HA C 22 LEU HDy% 1.0 1.795 6.500 1532 1351 B 27 LEU HDx% B 22 LEU HA 1.0 1.831 6.500 1533 1352 B 51 LEU H B 51 LEU HA 1.0 1.664 3.056 1534 1353 C 51 LEU HA C 51 LEU H 1.0 1.625 2.911 1535 1354 B 51 LEU H B 51 LEU HBy 1.0 1.675 3.101 1536 1355 C 51 LEU H C 51 LEU HBx 1.0 1.680 3.120 1537 1356 B 51 LEU H B 51 LEU HBx 1.0 1.716 3.272 1538 1357 C 51 LEU H C 51 LEU HBy 1.0 1.713 6.500 1539 1358 B 52 ASN H B 51 LEU HBx 1.0 1.806 3.704 1540 1359 B 52 ASN H B 51 LEU HBy 1.0 1.788 3.606 1541 1360 C 52 ASN H C 51 LEU HBx 1.0 1.793 3.633 1542 1361 C 52 ASN H C 51 LEU HBy 1.0 1.796 3.650 1543 1362 B 51 LEU HBy B 51 LEU HBx 1.0 1.614 2.870 1544 1363 B 51 LEU HBy B 51 LEU HBx 1.0 1.586 2.774 1545 1364 C 51 LEU HBy C 51 LEU HBx 1.0 1.663 3.053 1546 1365 C 51 LEU HBy C 51 LEU HBx 1.0 1.626 2.914 1547 1366 C 51 LEU HBy C 22 LEU HDx% 1.0 1.803 3.689 1548 1367 B 51 LEU HG B 22 LEU HDx% 1.0 1.629 6.500 1549 1368 C 51 LEU H C 51 LEU HG 1.0 1.852 3.968 1550 1369 B 51 LEU H B 51 LEU HG 1.0 1.849 6.500 1551 1370 C 52 ASN H C 51 LEU HG 1.0 1.830 6.500 1552 1371 B 52 ASN H B 51 LEU HG 1.0 1.873 6.500 1553 1372 B 51 LEU HG B 51 LEU HBx 1.0 1.737 3.363 1554 1373 B 51 LEU HBy B 51 LEU HG 1.0 1.639 2.965 1555 1374 C 51 LEU HBy C 51 LEU HG 1.0 1.815 3.755 1556 1375 C 51 LEU HG C 51 LEU HBx 1.0 1.689 3.159 1557 1376 B 51 LEU HBy B 22 LEU HDx% 1.0 1.706 3.228 1558 1377 B 51 LEU H B 51 LEU HDx% 1.0 1.839 3.895 1559 1378 B 51 LEU H B 51 LEU HDy% 1.0 1.754 6.500 1560 1379 B 51 LEU HDy% B 22 LEU HDx% 1.0 1.624 2.908 1561 1380 C 51 LEU H C 51 LEU HDx% 1.0 1.814 3.744 1562 1381 C 51 LEU H C 51 LEU HDy% 1.0 1.713 6.500 1563 1382 C 29 ALA H C 29 ALA HA 1.0 1.652 3.012 1564 1382 B 29 ALA H B 29 ALA HA 1.0 1.652 3.012 1565 1383 C 29 ALA HB% C 29 ALA HA 1.0 1.421 2.275 1566 1383 B 29 ALA HA B 29 ALA HB% 1.0 1.421 2.275 1567 1384 B 29 ALA HA B 29 ALA HB% 1.0 1.384 2.178 1568 1384 C 29 ALA HB% C 29 ALA HA 1.0 1.384 2.178 1569 1385 B 29 ALA H B 29 ALA HB% 1.0 1.358 2.110 1570 1385 C 29 ALA H C 29 ALA HB% 1.0 1.358 2.110 1571 1386 C 30 PHE H C 30 PHE HA 1.0 1.815 3.753 1572 1387 B 30 PHE H B 30 PHE HA 1.0 1.778 3.554 1573 1388 C 30 PHE H C 30 PHE HB2 1.0 1.681 3.127 1574 1388 C 30 PHE H C 30 PHE HB3 1.0 1.681 3.127 1575 1389 B 30 PHE H B 30 PHE HBx 1.0 1.642 2.974 1576 1389 B 30 PHE H B 30 PHE HBy 1.0 1.642 2.974 1577 1390 C 30 PHE HD% C 30 PHE HA 1.0 1.841 3.901 1578 1391 C 30 PHE HD% C 30 PHE HB2 1.0 1.769 3.511 1579 1391 C 30 PHE HD% C 30 PHE HB3 1.0 1.769 3.511 1580 1392 B 30 PHE HD% B 30 PHE HBx 1.0 1.720 3.290 1581 1392 B 30 PHE HD% B 30 PHE HBy 1.0 1.720 3.290 1582 1393 B 30 PHE HA B 30 PHE HD% 1.0 1.758 3.456 1583 1394 B 42 ALA H B 42 ALA HA 1.0 1.675 3.099 1584 1395 B 42 ALA HA B 42 ALA HB% 1.0 1.454 2.366 1585 1396 C 17 VAL HGx% C 45 LEU HG 1.0 1.732 3.340 1586 1397 B 17 VAL HGx% B 45 LEU HG 1.0 1.705 3.221 1587 1398 C 19 LEU H C 19 LEU HG 1.0 1.909 4.385 1588 1399 B 19 LEU H B 19 LEU HG 1.0 1.864 4.050 1589 1400 C 16 ILE HG2% C 18 TYR HD% 1.0 1.869 4.083 1590 1401 A 16 LEU HBx B 16 ILE HG2% 1.0 1.780 3.568 1591 1402 A 16 LEU HBy B 16 ILE HG2% 1.0 1.715 3.265 1592 1403 C 18 TYR HD% C 18 TYR HBy 1.0 1.858 4.014 1593 1404 C 18 TYR HD% C 18 TYR HBx 1.0 1.804 3.696 1594 1405 C 19 LEU H C 18 TYR HBx 1.0 1.785 3.595 1595 1405 C 18 TYR H C 18 TYR HBx 1.0 1.785 3.595 1596 1406 C 18 TYR H C 18 TYR HBy 1.0 1.846 3.934 1597 1407 B 18 TYR H B 18 TYR HBy 1.0 1.839 3.891 1598 1408 B 18 TYR HD% B 18 TYR HBy 1.0 1.816 3.758 1599 1409 B 18 TYR HD% B 18 TYR HBx 1.0 1.774 3.536 1600 1410 B 18 TYR H B 18 TYR HBx 1.0 1.714 3.260 1601 1411 C 25 ASP H C 24 PRO HBx 1.0 1.768 3.508 1602 1412 C 19 LEU H C 19 LEU HBx 1.0 1.877 4.137 1603 1413 B 19 LEU H B 19 LEU HBx 1.0 1.849 3.955 1604 1414 B 19 LEU H B 19 LEU HA 1.0 1.902 4.324 1605 1415 C 19 LEU H C 19 LEU HA 1.0 1.903 4.335 1606 1416 B 48 ALA HB% B 19 LEU HBy 1.0 1.771 3.519 1607 1417 B 48 ALA HB% B 19 LEU HBx 1.0 1.795 3.647 1608 1418 B 19 LEU HBy B 19 LEU HDy% 1.0 1.628 2.922 1609 1419 B 19 LEU HBx B 19 LEU HDy% 1.0 1.609 2.851 1610 1420 B 19 LEU HA B 19 LEU HBx 1.0 1.836 3.874 1611 1421 B 19 LEU HA B 19 LEU HBy 1.0 1.786 3.596 1612 1422 B 19 LEU H B 19 LEU HBy 1.0 1.867 4.071 1613 1423 C 18 TYR HD% C 19 LEU HA 1.0 1.880 6.500 1614 1424 A 24 GLY HAy C 19 LEU HBx 1.0 1.900 4.308 1615 1425 B 19 LEU HBy B 19 LEU HDy% 1.0 1.494 2.480 1616 1426 B 19 LEU H B 19 LEU HDy% 1.0 1.864 4.046 1617 1427 C 45 LEU H C 45 LEU HDy% 1.0 1.752 6.500 1618 1428 B 52 ASN H B 19 LEU HDy% 1.0 1.794 3.636 1619 1429 C 19 LEU H C 19 LEU HDx% 1.0 1.922 4.500 1620 1430 C 48 ALA HB% C 19 LEU HDx% 1.0 1.498 2.492 1621 1431 B 48 ALA HB% B 19 LEU HDy% 1.0 1.550 2.656 1622 1432 C 19 LEU HDx% C 19 LEU HBx 1.0 1.663 3.055 1623 1432 C 19 LEU HDx% C 19 LEU HBy 1.0 1.663 3.055 1624 1432 C 19 LEU HBx C 19 LEU HDy% 1.0 1.663 3.055 1625 1433 C 19 LEU HBy C 19 LEU HDy% 1.0 1.658 3.034 1626 1433 C 19 LEU HBx C 19 LEU HDy% 1.0 1.658 3.034 1627 1434 C 19 LEU HG C 19 LEU HDy% 1.0 1.560 2.688 1628 1434 C 19 LEU HDx% C 19 LEU HG 1.0 1.560 2.688 1629 1435 B 19 LEU H B 19 LEU HDx% 1.0 1.933 4.605 1630 1436 B 19 LEU HDx% B 19 LEU HBx 1.0 1.630 2.928 1631 1436 B 19 LEU HDx% B 19 LEU HBy 1.0 1.630 2.928 1632 1437 B 45 LEU HA B 45 LEU HBx 1.0 1.663 3.051 1633 1438 B 46 ALA H B 45 LEU HBy 1.0 1.740 6.500 1634 1439 B 45 LEU HBx B 45 LEU HG 1.0 1.606 6.500 1635 1440 C 45 LEU HBx C 45 LEU HDy% 1.0 1.680 3.118 1636 1441 B 45 LEU HDy% B 45 LEU HG 1.0 1.507 2.519 1637 1442 B 45 LEU HDy% B 45 LEU HBx 1.0 1.707 3.231 1638 1443 B 45 LEU H B 45 LEU HDx% 1.0 1.959 4.893 1639 1444 B 45 LEU HBy B 45 LEU HDx% 1.0 1.650 3.002 1640 1445 B 45 LEU HBx B 45 LEU HDx% 1.0 1.616 2.878 1641 1446 B 45 LEU HG B 45 LEU HDx% 1.0 1.528 2.586 1642 1447 B 45 LEU HDy% B 45 LEU HA 1.0 1.718 6.500 1643 1448 B 45 LEU HDy% B 45 LEU H 1.0 1.940 4.668 1644 1449 C 45 LEU HA C 45 LEU HBy 1.0 1.680 3.122 1645 1450 C 45 LEU HBx C 45 LEU HA 1.0 1.714 3.260 1646 1451 C 45 LEU HA C 46 ALA H 1.0 1.807 3.705 1647 1452 C 45 LEU HG C 45 LEU HBy 1.0 1.635 2.949 1648 1453 C 45 LEU HBx C 45 LEU HDx% 1.0 1.679 3.115 1649 1454 C 45 LEU HA C 45 LEU HDx% 1.0 1.648 6.500 1650 1455 C 45 LEU HG C 45 LEU HDx% 1.0 1.557 2.677 1651 1456 C 45 LEU H C 45 LEU HDx% 1.0 1.723 3.301 1652 1457 C 45 LEU HBx C 45 LEU HDx% 1.0 1.770 3.518 1653 1458 C 45 LEU HG C 45 LEU HDx% 1.0 1.480 2.440 1654 1459 C 45 LEU HDx% C 45 LEU HBy 1.0 1.500 2.502 1655 1460 C 45 LEU HG C 45 LEU HDy% 1.0 1.507 2.519 1656 1461 C 45 LEU HBy C 45 LEU HDy% 1.0 1.628 2.922 1657 1462 C 45 LEU HA C 45 LEU HDy% 1.0 1.713 3.255 1658 1463 B 32 HIS H B 32 HIS HA 1.0 1.826 3.812 1659 1464 C 33 SER H C 33 SER HA 1.0 1.801 3.673 1660 1465 B 33 SER HA B 33 SER H 1.0 1.793 3.633 1661 1466 C 36 ASP H C 36 ASP HA 1.0 1.716 3.268 1662 1467 B 36 ASP H B 36 ASP HA 1.0 1.715 3.265 1663 1468 C 37 ASP H C 37 ASP HA 1.0 1.764 3.490 1664 1469 B 37 ASP H B 37 ASP HA 1.0 1.785 3.593 1665 1470 C 39 SER H C 39 SER HA 1.0 1.840 3.898 1666 1471 B 39 SER H B 39 SER HA 1.0 1.824 3.800 1667 1472 C 40 GLN H C 40 GLN HA 1.0 1.734 3.350 1668 1473 B 40 GLN H B 40 GLN HA 1.0 1.714 3.260 1669 1474 B 41 SER H B 41 SER HA 1.0 1.763 3.481 1670 1475 C 41 SER H C 41 SER HA 1.0 1.821 3.789 1671 1476 C 42 ALA HA C 43 ASN H 1.0 1.835 3.867 1672 1477 B 43 ASN H B 42 ALA HA 1.0 1.780 3.566 1673 1478 B 44 LEU HA B 44 LEU H 1.0 1.758 3.458 1674 1479 C 44 LEU H C 44 LEU HA 1.0 1.776 3.546 1675 1480 C 46 ALA HA C 46 ALA H 1.0 1.666 3.066 1676 1481 B 46 ALA H B 46 ALA HA 1.0 1.654 3.016 1677 1482 B 47 GLU H B 47 GLU HA 1.0 1.649 2.997 1678 1483 C 47 GLU H C 47 GLU HA 1.0 1.689 3.155 1679 1484 C 50 LYS H C 50 LYS HA 1.0 1.706 3.230 1680 1485 B 50 LYS H B 50 LYS HA 1.0 1.643 2.979 1681 1486 C 52 ASN HA C 52 ASN H 1.0 1.794 3.636 1682 1487 B 52 ASN H B 52 ASN HA 1.0 1.817 3.765 1683 1488 B 53 ASP H B 53 ASP HA 1.0 1.742 3.384 1684 1489 B 54 ALA HA B 54 ALA H 1.0 1.647 2.993 1685 1490 C 54 ALA HA C 54 ALA H 1.0 1.600 2.824 1686 1491 C 55 GLN H C 55 GLN HA 1.0 1.633 2.941 1687 1491 B 55 GLN H B 55 GLN HA 1.0 1.633 2.941 1688 1492 B 18 TYR H B 18 TYR HA 1.0 1.857 4.003 1689 1493 C 21 ASN H C 21 ASN HA 1.0 1.813 3.743 1690 1494 B 21 ASN H B 21 ASN HA 1.0 1.787 3.605 1691 1495 B 23 ASN HA B 23 ASN H 1.0 1.851 3.963 1692 1496 C 23 ASN H C 23 ASN HA 1.0 1.870 4.090 1693 1497 C 25 ASP H C 25 ASP HA 1.0 1.687 3.147 1694 1498 B 25 ASP HA B 25 ASP H 1.0 1.760 3.472 1695 1499 C 56 ALA H C 56 ALA HA 1.0 1.664 3.054 1696 1500 B 56 ALA H B 56 ALA HA 1.0 1.642 2.972 1697 1501 C 38 PRO HBy C 38 PRO HBx 1.0 1.461 2.387 1698 1502 B 38 PRO HBy B 38 PRO HBx 1.0 1.447 2.347 1699 1503 B 38 PRO HBx B 38 PRO HA 1.0 1.636 2.950 1700 1504 B 38 PRO HBy B 38 PRO HA 1.0 1.662 3.048 1701 1505 B 39 SER H B 38 PRO HBx 1.0 1.971 5.053 1702 1506 B 39 SER H B 38 PRO HA 1.0 1.921 4.491 1703 1507 B 47 GLU H B 46 ALA HA 1.0 1.764 3.488 1704 1508 C 46 ALA HA C 47 GLU H 1.0 1.826 3.816 1705 1509 C 49 LYS H C 46 ALA HA 1.0 1.733 3.341 1706 1509 B 49 LYS H B 46 ALA HA 1.0 1.733 3.341 1707 1510 C 49 LYS H C 46 ALA HB% 1.0 1.873 6.500 1708 1511 B 47 GLU H B 46 ALA HB% 1.0 1.485 2.455 1709 1512 B 46 ALA H B 46 ALA HB% 1.0 1.418 2.268 1710 1513 C 46 ALA HB% C 47 GLU H 1.0 1.558 2.680 1711 1514 C 46 ALA H C 46 ALA HB% 1.0 1.421 2.273 1712 1515 C 46 ALA HA C 46 ALA HB% 1.0 1.354 2.100 1713 1515 B 46 ALA HB% B 46 ALA HA 1.0 1.354 2.100 1714 1516 B 46 ALA HB% B 46 ALA HA 1.0 1.389 2.189 1715 1516 C 46 ALA HA C 46 ALA HB% 1.0 1.389 2.189 1716 1517 C 54 ALA HA C 55 GLN H 1.0 1.703 3.215 1717 1517 B 55 GLN H B 54 ALA HA 1.0 1.703 3.215 1718 1518 B 56 ALA H B 54 ALA HA 1.0 1.820 3.780 1719 1518 C 56 ALA H C 54 ALA HA 1.0 1.820 3.780 1720 1519 B 54 ALA H B 54 ALA HB% 1.0 1.417 2.263 1721 1520 C 54 ALA H C 54 ALA HB% 1.0 1.365 2.129 1722 1521 B 55 GLN H B 54 ALA HB% 1.0 1.498 2.494 1723 1521 C 55 GLN H C 54 ALA HB% 1.0 1.498 2.494 1724 1522 B 56 ALA H B 54 ALA HB% 1.0 1.783 6.500 1725 1523 C 56 ALA H C 54 ALA HB% 1.0 1.854 3.984 1726 1524 B 54 ALA HA B 54 ALA HB% 1.0 1.351 2.091 1727 1524 C 54 ALA HA C 54 ALA HB% 1.0 1.351 2.091 1728 1525 B 51 LEU HA B 54 ALA HB% 1.0 1.508 2.526 1729 1525 C 51 LEU HA C 54 ALA HB% 1.0 1.508 2.526 1730 1526 C 54 ALA HA C 54 ALA HB% 1.0 1.344 2.074 1731 1526 B 54 ALA HA B 54 ALA HB% 1.0 1.344 2.074 1732 1527 B 56 ALA H B 55 GLN HA 1.0 1.671 3.085 1733 1528 C 56 ALA H C 55 GLN HA 1.0 1.655 6.500 1734 1529 A 15 PHE HD% B 27 LEU HDy% 1.0 1.668 3.074 1735 1530 A 15 PHE HD% B 27 LEU HDx% 1.0 1.703 3.213 1736 1531 A 15 PHE HD% B 31 ILE HD1% 1.0 1.927 4.547 1737 1532 A 23 PHE HD% C 27 LEU HDy% 1.0 1.728 6.500 1738 1533 A 23 PHE HD% C 27 LEU HDx% 1.0 1.653 3.013 1739 1534 A 23 PHE HD% B 31 ILE HG2% 1.0 1.815 3.755 1740 1535 A 23 PHE HD% B 31 ILE HD1% 1.0 1.831 3.849 1741 1536 C 17 VAL HGy% C 15 GLU HGx 1.0 1.703 3.213 1742 1537 A 27 LEU HDy% C 15 GLU HGx 1.0 1.854 3.990 1743 1538 C 17 VAL HGx% C 15 GLU HGx 1.0 1.884 6.500 1744 1539 C 41 SER H C 39 SER HA 1.0 1.862 4.036 1745 1540 B 40 GLN H B 39 SER HA 1.0 1.871 4.099 1746 1541 B 41 SER H B 39 SER HA 1.0 1.942 4.696 1747 1542 C 17 VAL HGy% C 15 GLU HGy 1.0 1.828 3.830 1748 1543 B 17 VAL HGy% B 15 GLU HGx 1.0 1.709 3.237 1749 1544 B 17 VAL HGy% B 15 GLU HGy 1.0 1.779 3.559 1750 1545 B 17 VAL HGx% B 15 GLU HGx 1.0 1.897 4.287 1751 1546 B 18 TYR HE% B 16 ILE HG2% 1.0 1.843 3.917 1752 1547 C 17 VAL HB C 17 VAL HGx% 1.0 1.539 2.621 1753 1548 C 17 VAL HGx% C 19 LEU HDy% 1.0 1.412 2.252 1754 1549 C 17 VAL HGy% C 19 LEU HDy% 1.0 1.910 4.394 1755 1549 C 17 VAL HGy% C 19 LEU HDx% 1.0 1.910 4.394 1756 1550 C 22 LEU HDx% C 19 LEU HDx% 1.0 1.566 2.708 1757 1551 B 22 LEU HDx% B 19 LEU HDy% 1.0 1.701 3.207 1758 1552 C 48 ALA HB% C 19 LEU HBy 1.0 1.764 3.490 1759 1552 C 48 ALA HB% C 19 LEU HBx 1.0 1.764 3.490 1760 1553 C 19 LEU HDx% C 19 LEU HBx 1.0 1.726 3.316 1761 1553 C 19 LEU HDx% C 19 LEU HBy 1.0 1.726 3.316 1762 1554 B 19 LEU HDx% B 19 LEU HG 1.0 1.670 3.080 1763 1555 C 19 LEU HDx% C 49 LYS HGy 1.0 1.569 2.717 1764 1555 C 19 LEU HDx% C 49 LYS HGx 1.0 1.569 2.717 1765 1556 C 49 LYS HGy C 19 LEU HDy% 1.0 1.501 2.501 1766 1556 C 19 LEU HDy% C 49 LYS HGx 1.0 1.501 2.501 1767 1557 A 17 VAL HGx% B 19 LEU HDx% 1.0 1.458 2.378 1768 1558 C 22 LEU HDy% C 19 LEU HDx% 1.0 1.450 2.354 1769 1559 C 34 ILE HA C 34 ILE HD1% 1.0 1.667 3.069 1770 1560 C 34 ILE HG2% C 34 ILE HA 1.0 1.737 3.365 1771 1561 B 34 ILE HA B 34 ILE HG2% 1.0 1.654 3.016 1772 1562 C 34 ILE HG1y C 34 ILE HA 1.0 1.837 3.875 1773 1563 C 49 LYS HBx C 19 LEU HDy% 1.0 1.906 4.362 1774 1563 C 19 LEU HDx% C 49 LYS HBx 1.0 1.906 4.362 1775 1564 B 49 LYS HBy B 17 VAL HGx% 1.0 1.842 6.500 1776 1565 B 49 LYS HBy B 19 LEU HDy% 1.0 1.961 4.933 1777 1565 B 19 LEU HDx% B 49 LYS HBy 1.0 1.961 4.933 1778 1566 C 34 ILE HG2% C 38 PRO HA 1.0 1.855 3.995 1779 1567 B 34 ILE HG2% B 38 PRO HA 1.0 1.837 3.881 1780 1568 B 51 LEU H B 50 LYS HB2 1.0 1.593 2.801 1781 1568 B 51 LEU H B 50 LYS HB3 1.0 1.593 2.801 1782 1569 C 51 LEU H C 50 LYS HBx 1.0 1.541 2.625 1783 1569 C 51 LEU H C 50 LYS HBy 1.0 1.541 2.625 1784 1570 C 50 LYS H C 50 LYS HBx 1.0 1.491 2.471 1785 1570 C 50 LYS H C 50 LYS HBy 1.0 1.491 2.471 1786 1571 B 50 LYS H B 50 LYS HB2 1.0 1.421 2.275 1787 1571 B 50 LYS H B 50 LYS HB3 1.0 1.421 2.275 1788 1572 B 39 SER H B 38 PRO HDx 1.0 1.881 4.173 1789 1573 B 37 ASP H B 38 PRO HDx 1.0 1.831 3.845 1790 1574 C 37 ASP H C 38 PRO HDy 1.0 1.785 3.593 1791 1575 C 37 ASP H C 38 PRO HDx 1.0 1.805 3.697 1792 1576 B 37 ASP H B 38 PRO HDy 1.0 1.830 6.500 1793 1577 B 39 SER H B 38 PRO HDy 1.0 1.850 3.962 1794 1578 B 38 PRO HDx B 38 PRO HGx 1.0 1.642 2.972 1795 1578 C 38 PRO HDy C 38 PRO HGy 1.0 1.642 2.972 1796 1578 C 38 PRO HDy C 38 PRO HGx 1.0 1.642 2.972 1797 1579 B 38 PRO HDy B 38 PRO HGy 1.0 1.602 2.828 1798 1579 C 38 PRO HDx C 38 PRO HGy 1.0 1.602 2.828 1799 1579 C 38 PRO HDx C 38 PRO HGx 1.0 1.602 2.828 1800 1580 C 38 PRO HBx C 38 PRO HGy 1.0 1.564 2.704 1801 1580 C 38 PRO HBx C 38 PRO HGx 1.0 1.564 2.704 1802 1581 C 38 PRO HDy C 38 PRO HGy 1.0 1.627 2.919 1803 1581 C 38 PRO HDy C 38 PRO HGx 1.0 1.627 2.919 1804 1582 C 38 PRO HDx C 38 PRO HGy 1.0 1.555 2.673 1805 1582 C 38 PRO HDx C 38 PRO HGx 1.0 1.555 2.673 1806 1583 B 39 SER H B 38 PRO HGy 1.0 1.814 3.744 1807 1584 C 39 SER H C 38 PRO HGy 1.0 1.846 3.932 1808 1584 C 39 SER H C 38 PRO HGx 1.0 1.846 3.932 1809 1585 B 37 ASP H B 38 PRO HGy 1.0 1.867 6.500 1810 1585 B 37 ASP H B 38 PRO HGx 1.0 1.867 6.500 1811 1586 C 37 ASP H C 38 PRO HGy 1.0 1.870 6.500 1812 1586 C 37 ASP H C 38 PRO HGx 1.0 1.870 6.500 1813 1587 C 38 PRO HBx C 38 PRO HDx 1.0 1.808 3.712 1814 1587 B 38 PRO HBx B 38 PRO HDy 1.0 1.808 3.712 1815 1588 C 38 PRO HBx C 38 PRO HDy 1.0 1.818 3.772 1816 1588 B 38 PRO HBx B 38 PRO HDx 1.0 1.818 3.772 1817 1589 C 52 ASN HA C 22 LEU HDx% 1.0 1.726 3.314 1818 1590 B 52 ASN HA B 22 LEU HDx% 1.0 1.762 3.478 1819 1591 C 52 ASN HA C 22 LEU HDy% 1.0 1.805 6.500 1820 1592 C 52 ASN H C 52 ASN HBy 1.0 1.811 3.731 1821 1593 B 52 ASN H B 52 ASN HBx 1.0 1.792 3.630 1822 1594 B 52 ASN H B 52 ASN HBy 1.0 1.781 3.571 1823 1595 C 52 ASN H C 52 ASN HBx 1.0 1.846 3.936 1824 1596 C 52 ASN HBy C 19 LEU HDx% 1.0 1.752 3.432 1825 1597 B 52 ASN HBy B 19 LEU HDy% 1.0 1.834 3.862 1826 1598 B 52 ASN HBx B 19 LEU HDy% 1.0 1.951 4.801 1827 1599 B 52 ASN HBy B 22 LEU HDx% 1.0 1.806 3.700 1828 1600 B 52 ASN HBy B 22 LEU HDy% 1.0 1.852 3.970 1829 1601 B 52 ASN HA B 52 ASN HBy 1.0 1.773 3.531 1830 1601 C 52 ASN HA C 52 ASN HBy 1.0 1.773 3.531 1831 1602 B 23 ASN H B 23 ASN HBy 1.0 1.821 3.789 1832 1602 C 23 ASN H C 23 ASN HBx 1.0 1.821 3.789 1833 1603 B 23 ASN H B 23 ASN HBx 1.0 1.856 3.998 1834 1604 C 23 ASN HBx C 23 ASN HD21 1.0 1.709 3.239 1835 1605 B 23 ASN HBy B 23 ASN HD22 1.0 1.704 3.218 1836 1606 C 23 ASN HBy C 23 ASN HD21 1.0 1.769 3.509 1837 1607 B 23 ASN HBx B 23 ASN HD22 1.0 1.783 3.579 1838 1608 C 23 ASN HBy C 23 ASN HBx 1.0 1.600 2.822 1839 1608 B 23 ASN HBx B 23 ASN HBy 1.0 1.600 2.822 1840 1609 C 23 ASN HBy C 23 ASN HBx 1.0 1.617 2.883 1841 1609 B 23 ASN HBx B 23 ASN HBy 1.0 1.617 2.883 1842 1610 C 23 ASN HBy C 24 PRO HDy 1.0 1.765 3.495 1843 1611 C 23 ASN HBx C 24 PRO HDy 1.0 1.759 3.465 1844 1611 B 24 PRO HDy B 23 ASN HBy 1.0 1.759 3.465 1845 1612 B 21 ASN H B 21 ASN HBx 1.0 1.857 4.001 1846 1613 C 21 ASN H C 21 ASN HBy 1.0 1.834 3.858 1847 1614 B 21 ASN HA B 21 ASN HBy 1.0 1.775 3.543 1848 1614 C 21 ASN HA C 21 ASN HBx 1.0 1.775 3.543 1849 1615 C 21 ASN HA C 21 ASN HBy 1.0 1.763 3.483 1850 1615 B 21 ASN HA B 21 ASN HBx 1.0 1.763 3.483 1851 1616 C 22 LEU H C 21 ASN HA 1.0 1.812 3.736 1852 1617 C 52 ASN HA C 22 LEU H 1.0 1.861 4.031 1853 1618 B 22 LEU H B 21 ASN HA 1.0 1.804 3.690 1854 1619 B 52 ASN HA B 22 LEU H 1.0 1.892 4.244 1855 1620 C 22 LEU H C 21 ASN HBy 1.0 1.828 3.830 1856 1621 B 22 LEU H B 21 ASN HBx 1.0 1.843 3.915 1857 1622 B 52 ASN HA B 21 ASN HBy 1.0 1.813 3.739 1858 1623 C 52 ASN HA C 21 ASN HBx 1.0 1.815 3.753 1859 1624 C 52 ASN HA C 21 ASN HBy 1.0 1.854 3.984 1860 1625 B 42 ALA H B 42 ALA HB% 1.0 1.422 2.278 1861 1626 B 44 LEU H B 42 ALA HB% 1.0 1.840 6.500 1862 1627 B 43 ASN H B 42 ALA HB% 1.0 1.471 2.413 1863 1628 B 42 ALA H B 41 SER HA 1.0 1.841 3.909 1864 1629 B 42 ALA HA B 42 ALA HB% 1.0 1.464 2.394 1865 1630 B 42 ALA HA B 45 LEU HDx% 1.0 1.898 4.296 1866 1631 B 35 HIS H B 32 HIS HA 1.0 1.910 4.394 1867 1632 C 35 HIS H C 32 HIS HA 1.0 1.895 4.269 1868 1633 B 32 HIS HA B 32 HIS HBx 1.0 1.664 3.056 1869 1633 C 32 HIS HA C 32 HIS HBy 1.0 1.664 3.056 1870 1633 B 32 HIS HA B 32 HIS HBy 1.0 1.664 3.056 1871 1633 C 32 HIS HA C 32 HIS HBx 1.0 1.664 3.056 1872 1634 B 32 HIS HA B 31 ILE HG2% 1.0 1.812 3.734 1873 1635 B 32 HIS HA C 24 PRO HBy 1.0 1.866 4.066 1874 1636 C 32 HIS H C 32 HIS HBx 1.0 1.702 3.210 1875 1636 C 32 HIS H C 32 HIS HBy 1.0 1.702 3.210 1876 1637 B 32 HIS H B 35 HIS HBy 1.0 1.677 6.500 1877 1638 B 33 SER H B 32 HIS HBx 1.0 1.753 3.433 1878 1638 B 33 SER H B 32 HIS HBy 1.0 1.753 3.433 1879 1639 C 33 SER H C 32 HIS HBx 1.0 1.763 3.483 1880 1639 C 33 SER H C 32 HIS HBy 1.0 1.763 3.483 1881 1640 B 35 HIS H B 32 HIS HBx 1.0 1.784 6.500 1882 1640 B 35 HIS H B 32 HIS HBy 1.0 1.784 6.500 1883 1641 B 29 ALA HB% B 32 HIS HBx 1.0 1.882 4.178 1884 1641 B 29 ALA HB% B 32 HIS HBy 1.0 1.882 4.178 1885 1642 B 33 SER HA B 36 ASP HBx 1.0 1.754 3.442 1886 1642 B 33 SER HA B 36 ASP HBy 1.0 1.754 3.442 1887 1643 C 33 SER HA C 36 ASP HB2 1.0 1.774 3.538 1888 1643 C 33 SER HA C 36 ASP HB3 1.0 1.774 3.538 1889 1644 B 25 ASP HA B 26 GLN H 1.0 1.833 3.857 1890 1644 C 25 ASP HA C 26 GLN H 1.0 1.833 3.857 1891 1645 C 25 ASP H C 25 ASP HBy 1.0 1.571 2.723 1892 1645 C 25 ASP H C 25 ASP HBx 1.0 1.571 2.723 1893 1645 B 25 ASP H B 25 ASP HB2 1.0 1.571 2.723 1894 1646 C 25 ASP HA C 25 ASP HBy 1.0 1.624 2.904 1895 1646 B 25 ASP HA B 25 ASP HB3 1.0 1.624 2.904 1896 1646 C 25 ASP HA C 25 ASP HBx 1.0 1.624 2.904 1897 1646 B 25 ASP HA B 25 ASP HB2 1.0 1.624 2.904 1898 1647 C 35 HIS H C 35 HIS HBx 1.0 1.780 3.568 1899 1648 C 35 HIS H C 35 HIS HBy 1.0 1.850 3.964 1900 1649 B 35 HIS H B 35 HIS HBy 1.0 1.683 3.131 1901 1649 B 35 HIS H B 35 HIS HBx 1.0 1.683 3.131 1902 1650 B 36 ASP H B 35 HIS HBx 1.0 1.736 3.360 1903 1651 C 36 ASP H C 35 HIS HBy 1.0 1.820 3.778 1904 1651 C 36 ASP H C 35 HIS HBx 1.0 1.820 3.778 1905 1652 C 35 HIS HA C 38 PRO HDy 1.0 1.861 4.031 1906 1653 B 36 ASP HBy B 35 HIS HBx 1.0 1.858 4.012 1907 1653 B 35 HIS HBx B 36 ASP HBx 1.0 1.858 4.012 1908 1654 B 34 ILE HG1x B 35 HIS HBy 1.0 1.871 6.500 1909 1654 B 34 ILE HG1x B 35 HIS HBx 1.0 1.871 6.500 1910 1655 B 34 ILE HG2% B 35 HIS HBy 1.0 1.887 6.500 1911 1655 B 34 ILE HG2% B 35 HIS HBx 1.0 1.887 6.500 1912 1656 C 35 HIS H C 36 ASP HA 1.0 1.743 6.500 1913 1657 B 35 HIS H B 36 ASP HA 1.0 1.845 6.500 1914 1658 B 36 ASP HA B 37 ASP H 1.0 1.862 4.032 1915 1659 C 37 ASP H C 36 ASP HA 1.0 1.743 3.389 1916 1660 B 36 ASP H B 36 ASP HBx 1.0 1.662 3.046 1917 1660 B 36 ASP H B 36 ASP HBy 1.0 1.662 3.046 1918 1661 C 36 ASP H C 36 ASP HB2 1.0 1.642 2.972 1919 1661 C 36 ASP H C 36 ASP HB3 1.0 1.642 2.972 1920 1662 C 37 ASP H C 36 ASP HB2 1.0 1.684 3.136 1921 1662 C 37 ASP H C 36 ASP HB3 1.0 1.684 3.136 1922 1663 B 37 ASP H B 36 ASP HBx 1.0 1.745 3.397 1923 1663 B 37 ASP H B 36 ASP HBy 1.0 1.745 3.397 1924 1664 B 33 SER H B 36 ASP HBx 1.0 1.850 6.500 1925 1664 B 33 SER H B 36 ASP HBy 1.0 1.850 6.500 1926 1665 B 35 HIS H B 36 ASP HBx 1.0 1.843 6.500 1927 1665 B 35 HIS H B 36 ASP HBy 1.0 1.843 6.500 1928 1666 B 37 ASP H B 37 ASP HBy 1.0 1.766 3.496 1929 1667 B 37 ASP H B 37 ASP HBx 1.0 1.741 3.379 1930 1668 C 37 ASP H C 37 ASP HBx 1.0 1.764 3.488 1931 1669 C 37 ASP H C 37 ASP HBy 1.0 1.744 3.394 1932 1670 C 37 ASP HA C 37 ASP HBy 1.0 1.751 3.427 1933 1671 C 37 ASP HA C 37 ASP HBx 1.0 1.676 3.104 1934 1672 C 37 ASP HA C 38 PRO HDy 1.0 1.715 3.263 1935 1673 B 37 ASP HA B 38 PRO HDx 1.0 1.704 3.218 1936 1674 C 37 ASP HA C 38 PRO HDx 1.0 1.642 2.976 1937 1675 C 37 ASP HA C 38 PRO HGy 1.0 1.788 6.500 1938 1675 C 37 ASP HA C 38 PRO HGx 1.0 1.788 6.500 1939 1676 B 37 ASP HA B 38 PRO HGy 1.0 1.809 6.500 1940 1676 B 37 ASP HA B 38 PRO HGx 1.0 1.809 6.500 1941 1677 C 37 ASP HBy C 44 LEU HDx% 1.0 1.798 3.662 1942 1678 B 44 LEU HDy% B 37 ASP HBx 1.0 1.817 3.767 1943 1679 C 37 ASP HBy C 44 LEU HG 1.0 1.839 6.500 1944 1680 C 37 ASP HBy C 44 LEU HDy% 1.0 1.875 4.125 1945 1681 B 38 PRO HA B 38 PRO HGy 1.0 1.793 3.633 1946 1681 B 38 PRO HA B 38 PRO HGx 1.0 1.793 3.633 1947 1682 C 38 PRO HA C 38 PRO HGy 1.0 1.783 3.581 1948 1682 C 38 PRO HGx C 38 PRO HA 1.0 1.783 3.581 1949 1683 B 41 SER H B 38 PRO HA 1.0 1.826 3.816 1950 1684 C 38 PRO HBx C 34 ILE HG2% 1.0 1.865 4.057 1951 1685 C 38 PRO HBy C 34 ILE HG2% 1.0 1.887 4.213 1952 1686 B 40 GLN H B 40 GLN HBy 1.0 1.702 3.210 1953 1687 B 40 GLN H B 40 GLN HBx 1.0 1.778 3.558 1954 1688 C 40 GLN H C 40 GLN HBx 1.0 1.698 3.196 1955 1689 C 40 GLN H C 40 GLN HBy 1.0 1.765 6.500 1956 1690 B 41 SER H B 40 GLN HA 1.0 1.797 3.657 1957 1691 B 40 GLN HA B 40 GLN HBx 1.0 1.808 3.714 1958 1692 C 40 GLN HA C 40 GLN HBy 1.0 1.798 3.660 1959 1693 B 40 GLN HA B 40 GLN HBy 1.0 1.813 3.741 1960 1694 C 44 LEU HDx% C 40 GLN HBx 1.0 1.760 3.466 1961 1695 C 44 LEU HDx% C 40 GLN HBy 1.0 1.819 3.775 1962 1696 B 44 LEU HDy% B 40 GLN HBy 1.0 1.771 3.523 1963 1697 B 44 LEU HDy% B 40 GLN HBx 1.0 1.765 3.493 1964 1698 C 40 GLN HBy C 44 LEU HDy% 1.0 1.844 3.920 1965 1699 C 40 GLN HBx C 44 LEU HDy% 1.0 1.854 3.982 1966 1700 B 44 LEU HDx% B 40 GLN HBy 1.0 1.849 3.955 1967 1701 C 40 GLN H C 40 GLN HGy 1.0 1.708 3.238 1968 1702 C 40 GLN H C 40 GLN HGx 1.0 1.731 3.333 1969 1703 B 40 GLN H B 40 GLN HGy 1.0 1.691 3.161 1970 1704 B 40 GLN H B 40 GLN HGx 1.0 1.693 3.173 1971 1705 C 44 LEU HDx% C 40 GLN HGy 1.0 1.862 4.040 1972 1706 C 44 LEU HDx% C 40 GLN HGx 1.0 1.821 3.787 1973 1707 C 37 ASP HBy C 40 GLN HGy 1.0 1.887 4.209 1974 1708 C 41 SER HA C 34 ILE HG2% 1.0 1.858 4.010 1975 1709 C 41 SER HA C 44 LEU HDx% 1.0 1.870 4.086 1976 1710 C 41 SER HA C 34 ILE HD1% 1.0 1.813 3.743 1977 1711 B 34 ILE HD1% B 41 SER HA 1.0 1.776 3.548 1978 1712 B 44 LEU HDy% B 41 SER HA 1.0 1.769 3.511 1979 1713 B 41 SER H B 41 SER HB2 1.0 1.654 3.018 1980 1713 B 41 SER H B 41 SER HB3 1.0 1.654 3.018 1981 1714 B 44 LEU HDx% B 41 SER HB2 1.0 1.819 6.500 1982 1714 B 34 ILE HG1y B 41 SER HB2 1.0 1.819 6.500 1983 1714 B 34 ILE HG1y B 41 SER HB3 1.0 1.819 6.500 1984 1714 B 44 LEU HDx% B 41 SER HB3 1.0 1.819 6.500 1985 1715 B 34 ILE HG2% B 41 SER HB2 1.0 1.723 3.303 1986 1715 B 34 ILE HG2% B 41 SER HB3 1.0 1.723 3.303 1987 1716 B 34 ILE HD1% B 41 SER HB2 1.0 1.770 3.518 1988 1716 B 34 ILE HD1% B 41 SER HB3 1.0 1.770 3.518 1989 1717 B 42 ALA H B 41 SER HB2 1.0 1.750 3.420 1990 1717 B 42 ALA H B 41 SER HB3 1.0 1.750 3.420 1991 1718 C 34 ILE HD1% C 41 SER HBy 1.0 1.838 3.882 1992 1718 C 34 ILE HD1% C 41 SER HBx 1.0 1.838 3.882 1993 1719 C 41 SER H C 41 SER HBy 1.0 1.882 4.172 1994 1719 C 41 SER H C 41 SER HBx 1.0 1.882 4.172 1995 1720 C 42 ALA H C 41 SER HBy 1.0 1.897 4.287 1996 1720 C 42 ALA H C 41 SER HBx 1.0 1.897 4.287 1997 1721 C 34 ILE HG2% C 41 SER HBy 1.0 1.873 4.109 1998 1721 C 34 ILE HG2% C 41 SER HBx 1.0 1.873 4.109 1999 1722 C 34 ILE HG1y C 41 SER HBy 1.0 1.846 6.500 2000 1722 C 44 LEU HDy% C 41 SER HBy 1.0 1.846 6.500 2001 1722 C 34 ILE HG1y C 41 SER HBx 1.0 1.846 6.500 2002 1723 C 42 ALA HA C 45 LEU H 1.0 1.828 3.828 2003 1724 C 43 ASN H C 43 ASN HA 1.0 1.618 2.884 2004 1725 B 43 ASN H B 43 ASN HA 1.0 1.648 2.996 2005 1726 C 46 ALA H C 43 ASN HA 1.0 1.748 3.410 2006 1727 B 46 ALA H B 43 ASN HA 1.0 1.740 3.376 2007 1728 B 44 LEU H B 43 ASN HA 1.0 1.800 3.674 2008 1729 B 42 ALA H B 43 ASN HA 1.0 1.850 6.500 2009 1730 C 44 LEU H C 43 ASN HA 1.0 1.837 3.875 2010 1731 C 45 LEU H C 43 ASN HA 1.0 1.860 4.028 2011 1732 B 46 ALA HB% B 43 ASN HA 1.0 1.582 2.762 2012 1732 C 46 ALA HB% C 43 ASN HA 1.0 1.582 2.762 2013 1733 C 43 ASN H C 43 ASN HBx 1.0 1.456 2.372 2014 1733 C 43 ASN H C 43 ASN HBy 1.0 1.456 2.372 2015 1734 B 43 ASN H B 43 ASN HBx 1.0 1.489 2.467 2016 1734 B 43 ASN H B 43 ASN HBy 1.0 1.489 2.467 2017 1735 C 44 LEU H C 43 ASN HBx 1.0 1.655 3.021 2018 1735 C 44 LEU H C 43 ASN HBy 1.0 1.655 3.021 2019 1736 B 44 LEU H B 43 ASN HBx 1.0 1.618 2.884 2020 1736 B 44 LEU H B 43 ASN HBy 1.0 1.618 2.884 2021 1737 C 42 ALA H C 43 ASN HBx 1.0 1.808 6.500 2022 1737 C 42 ALA H C 43 ASN HBy 1.0 1.808 6.500 2023 1738 B 42 ALA H B 43 ASN HBx 1.0 1.783 6.500 2024 1738 B 42 ALA H B 43 ASN HBy 1.0 1.783 6.500 2025 1739 C 46 ALA HB% C 43 ASN HBx 1.0 1.834 3.860 2026 1739 C 46 ALA HB% C 43 ASN HBy 1.0 1.834 3.860 2027 1740 B 44 LEU HG B 43 ASN HBx 1.0 1.722 6.500 2028 1740 B 43 ASN HBy B 44 LEU HG 1.0 1.722 6.500 2029 1741 B 42 ALA HB% B 43 ASN HBx 1.0 1.786 3.598 2030 1741 B 42 ALA HB% B 43 ASN HBy 1.0 1.786 3.598 2031 1742 C 42 ALA HB% C 43 ASN HBx 1.0 1.791 3.625 2032 1742 C 42 ALA HB% C 43 ASN HBy 1.0 1.791 3.625 2033 1743 B 44 LEU HDx% B 43 ASN HBx 1.0 1.802 3.684 2034 1743 B 43 ASN HBy B 44 LEU HDx% 1.0 1.802 3.684 2035 1744 C 44 LEU HDy% C 43 ASN HBx 1.0 1.817 3.763 2036 1744 C 43 ASN HBy C 44 LEU HDy% 1.0 1.817 3.763 2037 1745 B 47 GLU HA B 50 LYS H 1.0 1.737 3.361 2038 1746 C 50 LYS H C 47 GLU HA 1.0 1.797 3.651 2039 1747 B 47 GLU HA B 48 ALA H 1.0 1.823 3.793 2040 1748 C 48 ALA H C 47 GLU HA 1.0 1.821 3.785 2041 1749 C 46 ALA H C 47 GLU HA 1.0 1.855 6.500 2042 1750 C 51 LEU H C 47 GLU HA 1.0 1.844 6.500 2043 1751 B 47 GLU H B 47 GLU HBy 1.0 1.506 2.518 2044 1751 B 47 GLU H B 47 GLU HBx 1.0 1.506 2.518 2045 1752 C 47 GLU H C 47 GLU HBy 1.0 1.548 2.650 2046 1752 C 47 GLU H C 47 GLU HBx 1.0 1.548 2.650 2047 1753 B 48 ALA H B 47 GLU HBy 1.0 1.684 3.136 2048 1753 B 48 ALA H B 47 GLU HBx 1.0 1.684 3.136 2049 1754 C 48 ALA H C 47 GLU HBy 1.0 1.641 2.973 2050 1754 C 48 ALA H C 47 GLU HBx 1.0 1.641 2.973 2051 1755 B 47 GLU HA B 47 GLU HBx 1.0 1.494 2.480 2052 1755 C 47 GLU HA C 47 GLU HBx 1.0 1.494 2.480 2053 1755 C 47 GLU HA C 47 GLU HBy 1.0 1.494 2.480 2054 1756 C 44 LEU HA C 47 GLU HBy 1.0 1.680 3.120 2055 1756 C 44 LEU HA C 47 GLU HBx 1.0 1.680 3.120 2056 1757 B 46 ALA HB% B 47 GLU HBy 1.0 1.718 6.500 2057 1757 C 46 ALA HB% C 47 GLU HBx 1.0 1.718 6.500 2058 1757 C 46 ALA HB% C 47 GLU HBy 1.0 1.718 6.500 2059 1758 C 44 LEU HDy% C 47 GLU HBy 1.0 1.777 3.549 2060 1758 C 47 GLU HBx C 44 LEU HDy% 1.0 1.777 3.549 2061 1759 B 48 ALA HB% B 47 GLU HBy 1.0 1.796 3.652 2062 1759 B 48 ALA HB% B 47 GLU HBx 1.0 1.796 3.652 2063 1760 B 44 LEU HDx% B 47 GLU HBy 1.0 1.807 3.707 2064 1760 B 47 GLU HBx B 44 LEU HDx% 1.0 1.807 3.707 2065 1761 C 48 ALA HB% C 47 GLU HBy 1.0 1.851 3.967 2066 1761 C 48 ALA HB% C 47 GLU HBx 1.0 1.851 3.967 2067 1762 C 47 GLU H C 47 GLU HGy 1.0 1.563 6.500 2068 1762 C 47 GLU H C 47 GLU HGx 1.0 1.563 6.500 2069 1763 B 47 GLU H B 47 GLU HGx 1.0 1.516 2.548 2070 1764 B 48 ALA H B 47 GLU HGx 1.0 1.808 3.712 2071 1764 B 48 ALA H B 47 GLU HGy 1.0 1.808 3.712 2072 1765 C 48 ALA H C 47 GLU HGy 1.0 1.736 3.360 2073 1765 C 48 ALA H C 47 GLU HGx 1.0 1.736 3.360 2074 1766 B 47 GLU HA B 47 GLU HGx 1.0 1.549 2.651 2075 1766 C 47 GLU HA C 47 GLU HGy 1.0 1.549 2.651 2076 1766 B 47 GLU HA B 47 GLU HGy 1.0 1.549 2.651 2077 1767 C 47 GLU HGx C 47 GLU HBy 1.0 1.403 2.225 2078 1767 B 47 GLU HBy B 47 GLU HGx 1.0 1.403 2.225 2079 1767 C 47 GLU HGx C 47 GLU HBx 1.0 1.403 2.225 2080 1768 B 47 GLU HGy B 47 GLU HBy 1.0 1.372 2.144 2081 1768 B 47 GLU HBx B 47 GLU HGy 1.0 1.372 2.144 2082 1768 C 47 GLU HBx C 47 GLU HGy 1.0 1.372 2.144 2083 1769 B 47 GLU HBy B 47 GLU HGx 1.0 1.299 1.965 2084 1769 C 47 GLU HBx C 47 GLU HGy 1.0 1.299 1.965 2085 1769 C 47 GLU HGx C 47 GLU HBy 1.0 1.299 1.965 2086 1769 B 47 GLU HBx B 47 GLU HGy 1.0 1.299 1.965 2087 1769 B 47 GLU HGy B 47 GLU HBy 1.0 1.299 1.965 2088 1769 C 47 GLU HGx C 47 GLU HBx 1.0 1.299 1.965 2089 1770 B 46 ALA HB% B 47 GLU HGx 1.0 1.642 2.974 2090 1771 C 44 LEU HDy% C 47 GLU HGy 1.0 1.823 3.795 2091 1771 C 47 GLU HGx C 44 LEU HDy% 1.0 1.823 3.795 2092 1772 B 51 LEU HDx% B 47 GLU HGx 1.0 1.837 3.885 2093 1772 B 51 LEU HDx% B 47 GLU HGy 1.0 1.837 3.885 2094 1773 B 51 LEU HDx% B 47 GLU HBy 1.0 1.810 3.722 2095 1773 B 47 GLU HBx B 51 LEU HDx% 1.0 1.810 3.722 2096 1774 C 53 ASP HA C 54 ALA H 1.0 1.750 3.422 2097 1775 B 56 ALA H B 53 ASP HA 1.0 1.824 3.800 2098 1776 C 56 ALA H C 53 ASP HA 1.0 1.840 3.896 2099 1777 B 53 ASP HA B 56 ALA HB% 1.0 1.613 2.867 2100 1777 C 56 ALA HB% C 53 ASP HA 1.0 1.613 2.867 2101 1778 C 53 ASP H C 53 ASP HBx 1.0 1.659 3.035 2102 1778 C 53 ASP H C 53 ASP HBy 1.0 1.659 3.035 2103 1779 B 53 ASP H B 53 ASP HBy 1.0 1.649 2.997 2104 1779 B 53 ASP H B 53 ASP HBx 1.0 1.649 2.997 2105 1780 C 54 ALA H C 53 ASP HBx 1.0 1.728 3.320 2106 1780 C 54 ALA H C 53 ASP HBy 1.0 1.728 3.320 2107 1781 B 54 ALA H B 53 ASP HBy 1.0 1.716 3.266 2108 1781 B 54 ALA H B 53 ASP HBx 1.0 1.716 3.266 2109 1782 B 56 ALA HB% B 53 ASP HBy 1.0 1.820 3.784 2110 1782 C 56 ALA HB% C 53 ASP HBx 1.0 1.820 3.784 2111 1782 C 56 ALA HB% C 53 ASP HBy 1.0 1.820 3.784 2112 1783 C 54 ALA HB% C 53 ASP HBy 1.0 1.790 3.618 2113 1783 B 54 ALA HB% B 53 ASP HBy 1.0 1.790 3.618 2114 1783 B 54 ALA HB% B 53 ASP HBx 1.0 1.790 3.618 2115 1784 B 26 GLN H B 26 GLN HA 1.0 1.745 3.395 2116 1785 C 26 GLN H C 26 GLN HA 1.0 1.738 3.366 2117 1786 C 23 ASN HD22 C 26 GLN HGx 1.0 1.792 3.626 2118 1787 B 26 GLN H B 26 GLN HGy 1.0 1.783 3.581 2119 1788 B 26 GLN H B 26 GLN HGx 1.0 1.819 3.775 2120 1789 C 26 GLN H C 26 GLN HGx 1.0 1.801 6.500 2121 1790 C 26 GLN H C 26 GLN HGy 1.0 1.810 3.726 2122 1791 B 26 GLN HGy B 23 ASN HD21 1.0 1.864 4.046 2123 1792 C 23 ASN HD22 C 26 GLN HGy 1.0 1.878 4.144 2124 1793 B 26 GLN HBx B 26 GLN HBy 1.0 1.635 2.947 2125 1793 C 26 GLN HBx C 26 GLN HBy 1.0 1.635 2.947 2126 1794 C 26 GLN HBx C 26 GLN HBy 1.0 1.608 2.848 2127 1794 B 26 GLN HBx B 26 GLN HBy 1.0 1.608 2.848 2128 1795 C 26 GLN HGx C 26 GLN HBy 1.0 1.688 3.150 2129 1795 B 26 GLN HGy B 26 GLN HBy 1.0 1.688 3.150 2130 1796 B 26 GLN HGy B 26 GLN HBx 1.0 1.701 3.203 2131 1796 C 26 GLN HGx C 26 GLN HBx 1.0 1.701 3.203 2132 1797 C 26 GLN HGy C 26 GLN HBx 1.0 1.693 3.171 2133 1797 B 26 GLN HGx B 26 GLN HBx 1.0 1.693 3.171 2134 1798 B 26 GLN HGx B 26 GLN HBy 1.0 1.687 3.147 2135 1798 C 26 GLN HGy C 26 GLN HBy 1.0 1.687 3.147 2136 1799 C 26 GLN HGy C 26 GLN HBx 1.0 1.738 3.368 2137 1799 B 26 GLN HGx B 26 GLN HBx 1.0 1.738 3.368 2138 1800 B 26 GLN HGy B 26 GLN HBx 1.0 1.774 3.540 2139 1800 C 26 GLN HGx C 26 GLN HBx 1.0 1.774 3.540 2140 1801 B 29 ALA HB% B 26 GLN HGx 1.0 1.874 4.122 2141 1802 B 29 ALA HB% B 26 GLN HGy 1.0 1.845 6.500 2142 1803 B 51 LEU HDy% B 26 GLN HGx 1.0 1.859 4.017 2143 1804 C 26 GLN HGx C 51 LEU HDx% 1.0 1.855 3.991 2144 1805 A 26 ILE HG1x C 14 GLY HA3 1.0 1.836 3.874 2145 1806 A 26 ILE HD1% C 14 GLY HA3 1.0 1.839 6.500 2146 1807 B 20 PRO HA B 21 ASN H 1.0 1.928 4.560 2147 1808 C 21 ASN H C 20 PRO HA 1.0 1.881 4.167 2148 1809 A 23 PHE H C 20 PRO HA 1.0 1.906 4.362 2149 1810 C 21 ASN H C 20 PRO HB3 1.0 1.914 4.428 2150 1811 B 21 ASN H B 20 PRO HGy 1.0 1.852 3.970 2151 1812 B 21 ASN H B 20 PRO HGy 1.0 1.944 4.710 2152 1813 B 21 ASN H B 20 PRO HDy 1.0 1.898 4.298 2153 1814 B 21 ASN H B 20 PRO HDx 1.0 1.917 4.449 2154 1815 C 21 ASN H C 20 PRO HDx 1.0 1.905 4.351 2155 1816 C 21 ASN H C 20 PRO HDy 1.0 1.922 4.506 2156 1817 C 20 PRO HDy C 20 PRO HGy 1.0 1.840 3.896 2157 1818 C 20 PRO HDy C 20 PRO HGx 1.0 1.853 3.975 2158 1819 B 20 PRO HDx B 20 PRO HGx 1.0 1.851 3.967 2159 1820 B 20 PRO HDx B 20 PRO HGy 1.0 1.867 4.067 2160 1821 C 21 ASN H C 20 PRO HGx 1.0 1.835 3.871 2161 1822 C 21 ASN H C 20 PRO HGy 1.0 1.865 6.500 2162 1823 B 21 ASN H B 20 PRO HB3 1.0 1.953 4.809 2163 1824 B 52 ASN HA B 21 ASN H 1.0 1.904 4.342 2164 1825 C 22 LEU HA C 27 LEU HDx% 1.0 1.835 3.865 2165 1826 B 22 LEU HA B 22 LEU HDy% 1.0 1.798 6.500 2166 1827 B 22 LEU HA B 22 LEU HDx% 1.0 1.654 3.018 2167 1828 B 22 LEU HA B 19 LEU HDy% 1.0 1.941 6.500 2168 1829 C 22 LEU HA C 19 LEU HDx% 1.0 1.939 6.500 2169 1830 B 23 ASN H B 22 LEU HBx 1.0 1.871 4.099 2170 1830 B 23 ASN H B 22 LEU HBy 1.0 1.871 4.099 2171 1831 C 23 ASN H C 22 LEU HBy 1.0 1.888 4.222 2172 1831 C 23 ASN H C 22 LEU HBx 1.0 1.888 4.222 2173 1832 C 22 LEU HG C 27 LEU HDx% 1.0 1.637 6.500 2174 1833 C 22 LEU HG C 22 LEU HDy% 1.0 1.578 2.748 2175 1834 C 22 LEU HG C 22 LEU HDx% 1.0 1.560 2.688 2176 1835 B 22 LEU HG B 19 LEU HDy% 1.0 1.726 3.312 2177 1836 C 22 LEU HG C 19 LEU HDx% 1.0 1.726 3.312 2178 1837 B 52 ASN HBy B 22 LEU HDx% 1.0 1.759 3.461 2179 1838 C 52 ASN HBy C 22 LEU HDx% 1.0 1.756 3.452 2180 1839 C 22 LEU HDx% C 19 LEU HBy 1.0 1.607 6.500 2181 1839 C 22 LEU HDx% C 19 LEU HBx 1.0 1.607 6.500 2182 1840 B 22 LEU HDx% B 19 LEU HBx 1.0 1.620 2.890 2183 1840 B 22 LEU HDx% B 19 LEU HBy 1.0 1.620 2.890 2184 1841 B 22 LEU HDx% B 19 LEU HG 1.0 1.666 3.064 2185 1841 B 51 LEU HG B 22 LEU HDx% 1.0 1.666 3.064 2186 1842 C 51 LEU HG C 22 LEU HDx% 1.0 1.669 6.500 2187 1843 C 22 LEU HDx% C 51 LEU HDx% 1.0 1.412 2.250 2188 1844 B 23 ASN HBy B 23 ASN HD21 1.0 1.786 6.500 2189 1845 B 23 ASN HBx B 23 ASN HD21 1.0 1.773 3.531 2190 1846 C 23 ASN HBx C 23 ASN HD22 1.0 1.716 6.500 2191 1847 C 23 ASN HBy C 23 ASN HD22 1.0 1.783 6.500 2192 1848 C 27 LEU H C 24 PRO HA 1.0 1.920 4.480 2193 1849 B 25 ASP H B 24 PRO HA 1.0 1.861 4.029 2194 1850 C 24 PRO HA C 27 LEU HBy 1.0 1.864 6.500 2195 1851 B 24 PRO HA B 27 LEU HG 1.0 1.845 3.929 2196 1852 C 24 PRO HA C 27 LEU HG 1.0 1.842 3.908 2197 1853 C 24 PRO HA C 27 LEU HDy% 1.0 1.803 3.689 2198 1854 B 24 PRO HA B 27 LEU HDy% 1.0 1.796 3.646 2199 1855 C 31 ILE HG2% B 24 PRO HA 1.0 1.719 3.285 2200 1856 C 31 ILE HD1% B 24 PRO HA 1.0 1.855 3.993 2201 1857 B 25 ASP H B 24 PRO HBy 1.0 1.759 3.461 2202 1858 B 26 GLN H B 24 PRO HBx 1.0 1.863 6.500 2203 1858 B 26 GLN H B 24 PRO HBy 1.0 1.863 6.500 2204 1859 C 26 GLN H C 24 PRO HBx 1.0 1.867 6.500 2205 1859 C 26 GLN H C 24 PRO HBy 1.0 1.867 6.500 2206 1860 C 31 ILE HG2% B 24 PRO HBx 1.0 1.716 3.268 2207 1861 C 31 ILE HG2% B 24 PRO HGy 1.0 1.806 3.704 2208 1862 B 31 ILE HG2% C 24 PRO HGy 1.0 1.835 3.869 2209 1863 C 23 ASN HD21 C 26 GLN HGx 1.0 1.873 4.117 2210 1864 B 23 ASN HD22 B 26 GLN HGx 1.0 1.877 4.139 2211 1865 B 23 ASN HD22 B 26 GLN HGy 1.0 1.792 3.626 2212 1866 C 26 GLN HGy C 51 LEU HDy% 1.0 1.853 3.977 2213 1866 C 26 GLN HGy C 51 LEU HDx% 1.0 1.853 3.977 2214 1867 B 51 LEU HDy% B 26 GLN HGy 1.0 1.854 3.986 2215 1868 B 52 ASN HA B 22 LEU HDy% 1.0 1.829 6.500 2216 1869 B 52 ASN HA B 21 ASN HBx 1.0 1.861 4.033 2217 1870 C 52 ASN HBy C 22 LEU HDy% 1.0 1.864 4.052 2218 1871 C 52 ASN HBy C 22 LEU HDx% 1.0 1.822 3.788 2219 1872 C 52 ASN HBx C 19 LEU HDy% 1.0 1.866 4.062 2220 1873 C 51 LEU HG C 22 LEU HDx% 1.0 1.629 6.500 2221 1874 B 51 LEU HDy% B 54 ALA H 1.0 1.823 6.500 2222 1875 C 54 ALA H C 51 LEU HDy% 1.0 1.793 6.500 2223 1876 C 26 GLN HGx C 51 LEU HDy% 1.0 1.790 3.618 2224 1877 B 51 LEU HDy% B 26 GLN HGy 1.0 1.991 5.495 2225 1878 C 26 GLN HGy C 51 LEU HDy% 1.0 1.838 3.886 2226 1879 B 51 LEU HDy% B 26 GLN HGx 1.0 1.908 4.374 2227 1880 C 22 LEU HDx% C 51 LEU HDy% 1.0 1.643 2.975 2228 1881 C 31 ILE HG2% C 32 HIS HA 1.0 1.812 3.734 2229 1882 C 32 HIS HA B 24 PRO HBy 1.0 1.866 4.066 2230 1883 C 29 ALA HB% C 32 HIS HBx 1.0 1.882 4.178 2231 1883 C 29 ALA HB% C 32 HIS HBy 1.0 1.882 4.178 2232 1884 C 34 ILE HA C 34 ILE HD1% 1.0 1.763 3.487 2233 1885 C 41 SER HA C 34 ILE HD1% 1.0 1.717 3.271 2234 1886 B 34 ILE HD1% B 41 SER HA 1.0 1.735 3.353 2235 1887 C 34 ILE HD1% C 31 ILE HG1x 1.0 1.753 6.500 2236 1887 C 31 ILE HD1% C 34 ILE HD1% 1.0 1.753 6.500 2237 1888 B 35 HIS HA B 35 HIS HBy 1.0 1.731 3.335 2238 1889 B 35 HIS HA B 35 HIS HBx 1.0 1.747 3.407 2239 1890 B 37 ASP HA B 38 PRO HDy 1.0 1.645 2.985 2240 1891 B 37 ASP HA B 37 ASP HBx 1.0 1.756 3.450 2241 1892 B 37 ASP HA B 37 ASP HBy 1.0 1.681 3.125 2242 1893 B 37 ASP HBx B 44 LEU HG 1.0 1.836 3.868 2243 1894 B 37 ASP HBx B 44 LEU HDx% 1.0 1.875 4.125 2244 1895 C 41 SER H C 38 PRO HA 1.0 1.908 4.374 2245 1896 C 38 PRO HBx C 38 PRO HA 1.0 1.654 3.018 2246 1897 C 38 PRO HBy C 38 PRO HA 1.0 1.677 3.107 2247 1898 B 34 ILE HG2% B 38 PRO HBx 1.0 1.938 4.648 2248 1899 B 38 PRO HBy B 34 ILE HG2% 1.0 1.877 4.145 2249 1900 C 38 PRO HBy C 38 PRO HBx 1.0 1.395 2.203 2250 1901 B 38 PRO HBy B 38 PRO HBx 1.0 1.422 2.276 2251 1902 B 38 PRO HDy B 38 PRO HGy 1.0 1.619 2.887 2252 1902 B 38 PRO HDy B 38 PRO HGx 1.0 1.619 2.887 2253 1903 B 38 PRO HDx B 38 PRO HGy 1.0 1.646 2.992 2254 1903 B 38 PRO HDx B 38 PRO HGx 1.0 1.646 2.992 2255 1904 B 38 PRO HBx B 38 PRO HGy 1.0 1.567 2.709 2256 1904 B 38 PRO HBx B 38 PRO HGx 1.0 1.567 2.709 2257 1905 C 39 SER H C 38 PRO HDx 1.0 1.895 4.273 2258 1906 C 39 SER H C 38 PRO HDy 1.0 1.897 4.287 2259 1907 C 40 GLN HA C 40 GLN HBx 1.0 1.808 3.716 2260 1908 B 40 GLN HA B 40 GLN HGx 1.0 1.763 3.483 2261 1909 C 40 GLN HA C 40 GLN HGx 1.0 1.786 6.500 2262 1910 B 40 GLN HA B 40 GLN HGy 1.0 1.797 3.655 2263 1911 C 40 GLN HA C 40 GLN HGy 1.0 1.791 3.623 2264 1912 B 40 GLN HBx B 44 LEU HDx% 1.0 1.948 4.764 2265 1913 B 37 ASP HBx B 40 GLN HGy 1.0 1.843 3.919 2266 1914 B 44 LEU HDy% B 40 GLN HGx 1.0 1.866 4.066 2267 1915 C 42 ALA HB% C 43 ASN H 1.0 1.485 2.457 2268 1916 B 45 LEU HDy% B 42 ALA HB% 1.0 1.801 3.673 2269 1917 C 44 LEU HG C 43 ASN HBx 1.0 1.728 6.500 2270 1917 C 43 ASN HBy C 44 LEU HG 1.0 1.728 6.500 2271 1918 B 46 ALA HB% B 43 ASN HBx 1.0 1.834 3.860 2272 1918 B 46 ALA HB% B 43 ASN HBy 1.0 1.834 3.860 2273 1919 B 44 LEU HDy% B 44 LEU HBy 1.0 1.734 3.350 2274 1920 B 44 LEU HDx% B 47 GLU HBy 1.0 1.859 4.015 2275 1920 B 47 GLU HBx B 44 LEU HDx% 1.0 1.859 4.015 2276 1921 C 44 LEU HDy% C 47 GLU HBy 1.0 1.859 4.015 2277 1921 C 47 GLU HBx C 44 LEU HDy% 1.0 1.859 4.015 2278 1922 C 48 ALA HA C 19 LEU HDx% 1.0 1.841 3.903 2279 1923 B 48 ALA HA B 19 LEU HDy% 1.0 1.863 4.039 2280 1924 B 48 ALA HA B 22 LEU HDx% 1.0 1.872 4.108 2281 1925 C 48 ALA HA C 22 LEU HDx% 1.0 1.872 4.108 2282 1926 C 48 ALA HB% C 22 LEU HDx% 1.0 1.615 2.877 2283 1927 B 48 ALA HB% B 22 LEU HDx% 1.0 1.718 3.280 2284 1928 C 45 LEU HA C 48 ALA HB% 1.0 1.767 3.503 2285 1929 B 48 ALA HB% B 45 LEU HA 1.0 1.720 3.284 2286 1930 B 44 LEU HDx% B 47 GLU HGx 1.0 1.823 3.795 2287 1930 B 44 LEU HDx% B 47 GLU HGy 1.0 1.823 3.795 2288 1931 C 51 LEU HDx% C 47 GLU HGy 1.0 1.837 3.885 2289 1931 C 47 GLU HGx C 51 LEU HDx% 1.0 1.837 3.885 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 11 ARG C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -170.0 -70.40 PHI 2 2 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ALA N 1.0 100.0 178.80 PSI 3 3 A 12 LEU C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -160.0 -71.16 PHI 4 4 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ASN N 1.0 100.0 161.92 PSI 5 5 A 13 ALA C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -160.0 -70.64 PHI 6 6 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 PHE N 1.0 100.0 150.92 PSI 7 7 A 14 ASN C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -160.0 -108.44 PHI 8 8 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 LEU N 1.0 100.0 170.34 PSI 9 9 A 15 PHE C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -170.0 -99.38 PHI 10 10 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 VAL N 1.0 120.0 188.84 PSI 11 11 A 16 LEU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -150.0 -98.88 PHI 12 12 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 HIS N 1.0 100.0 165.22 PSI 13 13 A 17 VAL C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -150.0 -65.80 PHI 14 14 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 SER N 1.0 90.0 154.88 PSI 15 15 A 18 HIS C A 19 SER N A 19 SER CA A 19 SER C 1.0 -100.0 -10.84 PHI 16 16 A 19 SER N A 19 SER CA A 19 SER C A 20 SER N 1.0 -50.0 0.26 PSI 17 17 A 19 SER C A 20 SER N A 20 SER CA A 20 SER C 1.0 -90.0 -40.08 PHI 18 18 A 20 SER N A 20 SER CA A 20 SER C A 21 ASN N 1.0 -50.0 0.10 PSI 19 19 A 20 SER C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -130.0 -52.42 PHI 20 20 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 ASN N 1.0 -30.0 21.46 PSI 21 21 A 21 ASN C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -140.0 -28.90 PHI 22 22 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 PHE N 1.0 90.0 163.52 PSI 23 23 A 22 ASN C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -160.0 -35.18 PHI 24 24 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 GLY N 1.0 100.0 188.68 PSI 25 25 A 24 GLY C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -170.0 -112.86 PHI 26 26 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ILE N 1.0 120.0 183.30 PSI 27 27 A 25 ALA C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -160.0 -96.54 PHI 28 28 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 LEU N 1.0 110.0 165.24 PSI 29 29 A 26 ILE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -140.0 -89.84 PHI 30 30 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 SER N 1.0 100.0 150.04 PSI 31 31 A 27 LEU C A 28 SER N A 28 SER CA A 28 SER C 1.0 -150.0 -64.34 PHI 32 32 A 28 SER N A 28 SER CA A 28 SER C A 29 SER N 1.0 90.0 147.96 PSI stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 B 14 GLY C B 15 GLU N B 15 GLU CA B 15 GLU C 1.0 -180.0 -82.48 PHI 2 2 B 15 GLU N B 15 GLU CA B 15 GLU C B 16 ILE N 1.0 110.0 197.22 PSI 3 3 B 15 GLU C B 16 ILE N B 16 ILE CA B 16 ILE C 1.0 -150.0 -71.10 PHI 4 4 B 16 ILE N B 16 ILE CA B 16 ILE C B 17 VAL N 1.0 100.0 154.80 PSI 5 5 B 16 ILE C B 17 VAL N B 17 VAL CA B 17 VAL C 1.0 -150.0 -73.78 PHI 6 6 B 17 VAL N B 17 VAL CA B 17 VAL C B 18 TYR N 1.0 90.0 159.84 PSI 7 7 B 17 VAL C B 18 TYR N B 18 TYR CA B 18 TYR C 1.0 -140.0 -68.56 PHI 8 8 B 18 TYR N B 18 TYR CA B 18 TYR C B 19 LEU N 1.0 90.0 160.42 PSI 9 9 B 18 TYR C B 19 LEU N B 19 LEU CA B 19 LEU C 1.0 -160.0 6.00 PHI 10 10 B 19 LEU N B 19 LEU CA B 19 LEU C B 20 PRO N 1.0 90.0 218.18 PSI 11 11 B 19 LEU C B 20 PRO N B 20 PRO CA B 20 PRO C 1.0 -90.0 -24.24 PHI 12 12 B 20 PRO N B 20 PRO CA B 20 PRO C B 21 ASN N 1.0 -50.0 4.06 PSI 13 13 B 20 PRO C B 21 ASN N B 21 ASN CA B 21 ASN C 1.0 -120.0 -51.84 PHI 14 14 B 21 ASN N B 21 ASN CA B 21 ASN C B 22 LEU N 1.0 -40.0 34.26 PSI 15 15 B 21 ASN C B 22 LEU N B 22 LEU CA B 22 LEU C 1.0 -100.0 -32.24 PHI 16 16 B 22 LEU N B 22 LEU CA B 22 LEU C B 23 ASN N 1.0 110.0 180.06 PSI 17 17 B 22 LEU C B 23 ASN N B 23 ASN CA B 23 ASN C 1.0 -100.0 -42.88 PHI 18 18 B 23 ASN N B 23 ASN CA B 23 ASN C B 24 PRO N 1.0 120.0 183.02 PSI 19 19 B 23 ASN C B 24 PRO N B 24 PRO CA B 24 PRO C 1.0 -70.0 -39.98 PHI 20 20 B 24 PRO N B 24 PRO CA B 24 PRO C B 25 ASP N 1.0 -60.0 -10.00 PSI 21 21 B 24 PRO C B 25 ASP N B 25 ASP CA B 25 ASP C 1.0 -90.0 -39.70 PHI 22 22 B 25 ASP N B 25 ASP CA B 25 ASP C B 26 GLN N 1.0 -70.0 -11.90 PSI 23 23 B 25 ASP C B 26 GLN N B 26 GLN CA B 26 GLN C 1.0 -90.0 -36.72 PHI 24 24 B 26 GLN N B 26 GLN CA B 26 GLN C B 27 LEU N 1.0 -70.0 -13.06 PSI 25 25 B 26 GLN C B 27 LEU N B 27 LEU CA B 27 LEU C 1.0 -90.0 -38.96 PHI 26 26 B 27 LEU N B 27 LEU CA B 27 LEU C B 28 CYS N 1.0 -70.0 -19.62 PSI 27 27 B 27 LEU C B 28 CYS N B 28 CYS CA B 28 CYS C 1.0 -90.0 -38.56 PHI 28 28 B 28 CYS N B 28 CYS CA B 28 CYS C B 29 ALA N 1.0 -70.0 -12.72 PSI 29 29 B 28 CYS C B 29 ALA N B 29 ALA CA B 29 ALA C 1.0 -80.0 -49.00 PHI 30 30 B 29 ALA N B 29 ALA CA B 29 ALA C B 30 PHE N 1.0 -70.0 -15.40 PSI 31 31 B 29 ALA C B 30 PHE N B 30 PHE CA B 30 PHE C 1.0 -90.0 -40.00 PHI 32 32 B 30 PHE N B 30 PHE CA B 30 PHE C B 31 ILE N 1.0 -70.0 -19.86 PSI 33 33 B 30 PHE C B 31 ILE N B 31 ILE CA B 31 ILE C 1.0 -80.0 -49.42 PHI 34 34 B 31 ILE N B 31 ILE CA B 31 ILE C B 32 HIS N 1.0 -70.0 -12.26 PSI 35 35 B 31 ILE C B 32 HIS N B 32 HIS CA B 32 HIS C 1.0 -90.0 -37.78 PHI 36 36 B 32 HIS N B 32 HIS CA B 32 HIS C B 33 SER N 1.0 -70.0 -17.84 PSI 37 37 B 32 HIS C B 33 SER N B 33 SER CA B 33 SER C 1.0 -90.0 -39.94 PHI 38 38 B 33 SER N B 33 SER CA B 33 SER C B 34 ILE N 1.0 -70.0 -18.30 PSI 39 39 B 33 SER C B 34 ILE N B 34 ILE CA B 34 ILE C 1.0 -90.0 -40.00 PHI 40 40 B 34 ILE N B 34 ILE CA B 34 ILE C B 35 HIS N 1.0 -60.0 -29.72 PSI 41 41 B 34 ILE C B 35 HIS N B 35 HIS CA B 35 HIS C 1.0 -80.0 -45.06 PHI 42 42 B 35 HIS N B 35 HIS CA B 35 HIS C B 36 ASP N 1.0 -70.0 -19.28 PSI 43 43 B 35 HIS C B 36 ASP N B 36 ASP CA B 36 ASP C 1.0 -90.0 -40.02 PHI 44 44 B 36 ASP N B 36 ASP CA B 36 ASP C B 37 ASP N 1.0 -60.0 9.02 PSI 45 45 B 37 ASP C B 38 PRO N B 38 PRO CA B 38 PRO C 1.0 -90.0 -22.28 PHI 46 46 B 38 PRO N B 38 PRO CA B 38 PRO C B 39 SER N 1.0 -60.0 10.90 PSI 47 47 B 38 PRO C B 39 SER N B 39 SER CA B 39 SER C 1.0 -90.0 -40.00 PHI 48 48 B 39 SER N B 39 SER CA B 39 SER C B 40 GLN N 1.0 -40.0 9.98 PSI 49 49 B 39 SER C B 40 GLN N B 40 GLN CA B 40 GLN C 1.0 -90.0 -39.80 PHI 50 50 B 40 GLN N B 40 GLN CA B 40 GLN C B 41 SER N 1.0 -70.0 -8.80 PSI 51 51 B 40 GLN C B 41 SER N B 41 SER CA B 41 SER C 1.0 -90.0 -39.34 PHI 52 52 B 41 SER N B 41 SER CA B 41 SER C B 42 ALA N 1.0 -70.0 -9.94 PSI 53 53 B 41 SER C B 42 ALA N B 42 ALA CA B 42 ALA C 1.0 -90.0 -38.48 PHI 54 54 B 42 ALA N B 42 ALA CA B 42 ALA C B 43 ASN N 1.0 -70.0 -19.02 PSI 55 55 B 42 ALA C B 43 ASN N B 43 ASN CA B 43 ASN C 1.0 -90.0 -39.76 PHI 56 56 B 43 ASN N B 43 ASN CA B 43 ASN C B 44 LEU N 1.0 -70.0 -19.64 PSI 57 57 B 43 ASN C B 44 LEU N B 44 LEU CA B 44 LEU C 1.0 -80.0 -49.90 PHI 58 58 B 44 LEU N B 44 LEU CA B 44 LEU C B 45 LEU N 1.0 -60.0 -29.22 PSI 59 59 B 44 LEU C B 45 LEU N B 45 LEU CA B 45 LEU C 1.0 -90.0 -31.72 PHI 60 60 B 45 LEU N B 45 LEU CA B 45 LEU C B 46 ALA N 1.0 -70.0 -16.96 PSI 61 61 B 45 LEU C B 46 ALA N B 46 ALA CA B 46 ALA C 1.0 -90.0 -39.86 PHI 62 62 B 46 ALA N B 46 ALA CA B 46 ALA C B 47 GLU N 1.0 -60.0 -16.06 PSI 63 63 B 46 ALA C B 47 GLU N B 47 GLU CA B 47 GLU C 1.0 -90.0 -39.80 PHI 64 64 B 47 GLU N B 47 GLU CA B 47 GLU C B 48 ALA N 1.0 -60.0 -28.98 PSI 65 65 B 47 GLU C B 48 ALA N B 48 ALA CA B 48 ALA C 1.0 -90.0 -39.86 PHI 66 66 B 48 ALA N B 48 ALA CA B 48 ALA C B 49 LYS N 1.0 -70.0 -16.54 PSI 67 67 B 48 ALA C B 49 LYS N B 49 LYS CA B 49 LYS C 1.0 -90.0 -38.74 PHI 68 68 B 49 LYS N B 49 LYS CA B 49 LYS C B 50 LYS N 1.0 -70.0 -15.08 PSI 69 69 B 49 LYS C B 50 LYS N B 50 LYS CA B 50 LYS C 1.0 -90.0 -39.92 PHI 70 70 B 50 LYS N B 50 LYS CA B 50 LYS C B 51 LEU N 1.0 -70.0 -16.54 PSI 71 71 B 50 LYS C B 51 LEU N B 51 LEU CA B 51 LEU C 1.0 -90.0 -39.96 PHI 72 72 B 51 LEU N B 51 LEU CA B 51 LEU C B 52 ASN N 1.0 -70.0 -19.26 PSI 73 73 B 51 LEU C B 52 ASN N B 52 ASN CA B 52 ASN C 1.0 -80.0 -49.60 PHI 74 74 B 52 ASN N B 52 ASN CA B 52 ASN C B 53 ASP N 1.0 -60.0 -17.96 PSI 75 75 B 52 ASN C B 53 ASP N B 53 ASP CA B 53 ASP C 1.0 -90.0 -39.66 PHI 76 76 B 53 ASP N B 53 ASP CA B 53 ASP C B 54 ALA N 1.0 -70.0 -7.22 PSI 77 77 B 53 ASP C B 54 ALA N B 54 ALA CA B 54 ALA C 1.0 -90.0 -39.92 PHI 78 78 B 54 ALA N B 54 ALA CA B 54 ALA C B 55 GLN N 1.0 -70.0 -0.52 PSI 79 79 C 14 GLY C C 15 GLU N C 15 GLU CA C 15 GLU C 1.0 -110.0 -38.84 PHI 80 80 C 15 GLU N C 15 GLU CA C 15 GLU C C 16 ILE N 1.0 110.0 189.80 PSI 81 81 C 15 GLU C C 16 ILE N C 16 ILE CA C 16 ILE C 1.0 -150.0 -54.88 PHI 82 82 C 16 ILE N C 16 ILE CA C 16 ILE C C 17 VAL N 1.0 100.0 156.36 PSI 83 83 C 16 ILE C C 17 VAL N C 17 VAL CA C 17 VAL C 1.0 -140.0 -69.80 PHI 84 84 C 17 VAL N C 17 VAL CA C 17 VAL C C 18 TYR N 1.0 90.0 144.00 PSI 85 85 C 17 VAL C C 18 TYR N C 18 TYR CA C 18 TYR C 1.0 -130.0 -27.96 PHI 86 86 C 18 TYR N C 18 TYR CA C 18 TYR C C 19 LEU N 1.0 90.0 174.10 PSI 87 87 C 19 LEU C C 20 PRO N C 20 PRO CA C 20 PRO C 1.0 -90.0 -31.26 PHI 88 88 C 20 PRO N C 20 PRO CA C 20 PRO C C 21 ASN N 1.0 -50.0 11.22 PSI 89 89 C 20 PRO C C 21 ASN N C 21 ASN CA C 21 ASN C 1.0 -120.0 -53.02 PHI 90 90 C 21 ASN N C 21 ASN CA C 21 ASN C C 22 LEU N 1.0 -30.0 34.34 PSI 91 91 C 21 ASN C C 22 LEU N C 22 LEU CA C 22 LEU C 1.0 -100.0 -32.24 PHI 92 92 C 22 LEU N C 22 LEU CA C 22 LEU C C 23 ASN N 1.0 110.0 180.06 PSI 93 93 C 22 LEU C C 23 ASN N C 23 ASN CA C 23 ASN C 1.0 -100.0 -42.88 PHI 94 94 C 23 ASN N C 23 ASN CA C 23 ASN C C 24 PRO N 1.0 120.0 183.02 PSI 95 95 C 23 ASN C C 24 PRO N C 24 PRO CA C 24 PRO C 1.0 -70.0 -39.98 PHI 96 96 C 24 PRO N C 24 PRO CA C 24 PRO C C 25 ASP N 1.0 -60.0 -10.00 PSI 97 97 C 24 PRO C C 25 ASP N C 25 ASP CA C 25 ASP C 1.0 -90.0 -39.48 PHI 98 98 C 25 ASP N C 25 ASP CA C 25 ASP C C 26 GLN N 1.0 -70.0 -10.58 PSI 99 99 C 25 ASP C C 26 GLN N C 26 GLN CA C 26 GLN C 1.0 -90.0 -36.72 PHI 100 100 C 26 GLN N C 26 GLN CA C 26 GLN C C 27 LEU N 1.0 -70.0 -13.06 PSI 101 101 C 26 GLN C C 27 LEU N C 27 LEU CA C 27 LEU C 1.0 -90.0 -38.52 PHI 102 102 C 27 LEU N C 27 LEU CA C 27 LEU C C 28 CYS N 1.0 -70.0 -19.58 PSI 103 103 C 27 LEU C C 28 CYS N C 28 CYS CA C 28 CYS C 1.0 -90.0 -38.56 PHI 104 104 C 28 CYS N C 28 CYS CA C 28 CYS C C 29 ALA N 1.0 -70.0 -12.72 PSI 105 105 C 28 CYS C C 29 ALA N C 29 ALA CA C 29 ALA C 1.0 -80.0 -49.06 PHI 106 106 C 29 ALA N C 29 ALA CA C 29 ALA C C 30 PHE N 1.0 -70.0 -7.16 PSI 107 107 C 29 ALA C C 30 PHE N C 30 PHE CA C 30 PHE C 1.0 -90.0 -40.02 PHI 108 108 C 30 PHE N C 30 PHE CA C 30 PHE C C 31 ILE N 1.0 -70.0 -18.92 PSI 109 109 C 30 PHE C C 31 ILE N C 31 ILE CA C 31 ILE C 1.0 -80.0 -49.68 PHI 110 110 C 31 ILE N C 31 ILE CA C 31 ILE C C 32 HIS N 1.0 -70.0 -15.16 PSI 111 111 C 31 ILE C C 32 HIS N C 32 HIS CA C 32 HIS C 1.0 -90.0 -36.76 PHI 112 112 C 32 HIS N C 32 HIS CA C 32 HIS C C 33 SER N 1.0 -70.0 -17.24 PSI 113 113 C 32 HIS C C 33 SER N C 33 SER CA C 33 SER C 1.0 -90.0 -39.82 PHI 114 114 C 33 SER N C 33 SER CA C 33 SER C C 34 ILE N 1.0 -70.0 -17.30 PSI 115 115 C 33 SER C C 34 ILE N C 34 ILE CA C 34 ILE C 1.0 -90.0 -40.08 PHI 116 116 C 34 ILE N C 34 ILE CA C 34 ILE C C 35 HIS N 1.0 -70.0 -19.90 PSI 117 117 C 34 ILE C C 35 HIS N C 35 HIS CA C 35 HIS C 1.0 -80.0 -46.64 PHI 118 118 C 35 HIS N C 35 HIS CA C 35 HIS C C 36 ASP N 1.0 -70.0 -17.80 PSI 119 119 C 35 HIS C C 36 ASP N C 36 ASP CA C 36 ASP C 1.0 -90.0 -39.86 PHI 120 120 C 36 ASP N C 36 ASP CA C 36 ASP C C 37 ASP N 1.0 -60.0 9.70 PSI 121 121 C 37 ASP C C 38 PRO N C 38 PRO CA C 38 PRO C 1.0 -90.0 -20.24 PHI 122 122 C 38 PRO N C 38 PRO CA C 38 PRO C C 39 SER N 1.0 -60.0 4.66 PSI 123 123 C 38 PRO C C 39 SER N C 39 SER CA C 39 SER C 1.0 -90.0 -40.00 PHI 124 124 C 39 SER N C 39 SER CA C 39 SER C C 40 GLN N 1.0 -50.0 19.94 PSI 125 125 C 39 SER C C 40 GLN N C 40 GLN CA C 40 GLN C 1.0 -90.0 -46.78 PHI 126 126 C 40 GLN N C 40 GLN CA C 40 GLN C C 41 SER N 1.0 -70.0 -0.52 PSI 127 127 C 40 GLN C C 41 SER N C 41 SER CA C 41 SER C 1.0 -90.0 -34.00 PHI 128 128 C 41 SER N C 41 SER CA C 41 SER C C 42 ALA N 1.0 -70.0 -18.82 PSI 129 129 C 41 SER C C 42 ALA N C 42 ALA CA C 42 ALA C 1.0 -90.0 -36.72 PHI 130 130 C 42 ALA N C 42 ALA CA C 42 ALA C C 43 ASN N 1.0 -70.0 -17.20 PSI 131 131 C 42 ALA C C 43 ASN N C 43 ASN CA C 43 ASN C 1.0 -80.0 -49.90 PHI 132 132 C 43 ASN N C 43 ASN CA C 43 ASN C C 44 LEU N 1.0 -70.0 -19.90 PSI 133 133 C 43 ASN C C 44 LEU N C 44 LEU CA C 44 LEU C 1.0 -90.0 -38.22 PHI 134 134 C 44 LEU N C 44 LEU CA C 44 LEU C C 45 LEU N 1.0 -70.0 -19.06 PSI 135 135 C 44 LEU C C 45 LEU N C 45 LEU CA C 45 LEU C 1.0 -90.0 -31.72 PHI 136 136 C 45 LEU N C 45 LEU CA C 45 LEU C C 46 ALA N 1.0 -70.0 -16.96 PSI 137 137 C 45 LEU C C 46 ALA N C 46 ALA CA C 46 ALA C 1.0 -90.0 -39.90 PHI 138 138 C 46 ALA N C 46 ALA CA C 46 ALA C C 47 GLU N 1.0 -60.0 -22.78 PSI 139 139 C 46 ALA C C 47 GLU N C 47 GLU CA C 47 GLU C 1.0 -90.0 -39.66 PHI 140 140 C 47 GLU N C 47 GLU CA C 47 GLU C C 48 ALA N 1.0 -60.0 -29.02 PSI 141 141 C 47 GLU C C 48 ALA N C 48 ALA CA C 48 ALA C 1.0 -90.0 -39.62 PHI 142 142 C 48 ALA N C 48 ALA CA C 48 ALA C C 49 LYS N 1.0 -70.0 -17.64 PSI 143 143 C 48 ALA C C 49 LYS N C 49 LYS CA C 49 LYS C 1.0 -90.0 -39.02 PHI 144 144 C 49 LYS N C 49 LYS CA C 49 LYS C C 50 LYS N 1.0 -60.0 -18.52 PSI 145 145 C 49 LYS C C 50 LYS N C 50 LYS CA C 50 LYS C 1.0 -90.0 -39.70 PHI 146 146 C 50 LYS N C 50 LYS CA C 50 LYS C C 51 LEU N 1.0 -60.0 -25.52 PSI 147 147 C 50 LYS C C 51 LEU N C 51 LEU CA C 51 LEU C 1.0 -90.0 -39.84 PHI 148 148 C 51 LEU N C 51 LEU CA C 51 LEU C C 52 ASN N 1.0 -70.0 -18.54 PSI 149 149 C 51 LEU C C 52 ASN N C 52 ASN CA C 52 ASN C 1.0 -80.0 -49.60 PHI 150 150 C 52 ASN N C 52 ASN CA C 52 ASN C C 53 ASP N 1.0 -60.0 -17.96 PSI 151 151 C 52 ASN C C 53 ASP N C 53 ASP CA C 53 ASP C 1.0 -90.0 -39.66 PHI 152 152 C 53 ASP N C 53 ASP CA C 53 ASP C C 54 ALA N 1.0 -70.0 -7.22 PSI 153 153 C 53 ASP C C 54 ALA N C 54 ALA CA C 54 ALA C 1.0 -90.0 -39.84 PHI 154 154 C 54 ALA N C 54 ALA CA C 54 ALA C C 55 GLN N 1.0 -70.0 -0.44 PSI stop_ save_