#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhx s GLN 151 N 0.00 2.01 0.79 1.61 -0.21 -1.26 -5.13 119.66 117.47 1bhx s GLN 151 Ca 0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.37 1bhx s GLN 151 Cb 0.00 -1.95 0.07 0.00 1.00 0.00 0.00 33.01 32.13 1bhx s GLN 151 CO 0.00 0.53 1.09 -1.25 -2.12 0.00 0.00 175.29 173.54 1bhx s PRO 152 N -0.61 2.11 -0.14 2.91 0.04 -1.26 -5.01 135.00 133.04 1bhx s PRO 152 Ca 0.10 0.83 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1bhx s PRO 152 Cb -0.10 -1.91 -0.26 0.00 0.04 0.00 0.00 34.50 32.28 1bhx s PRO 152 CO -0.01 -1.65 0.71 1.03 0.04 0.00 0.00 177.00 177.12 1bhx h SER 153 N -1.12 0.06 -1.04 6.66 0.87 -2.07 -3.48 113.55 113.43 1bhx h SER 153 Ca -0.46 -0.93 -0.65 0.00 -1.23 0.00 0.00 61.79 58.52 1bhx h SER 153 Cb 1.25 -0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 63.07 1bhx h SER 153 CO 0.56 1.12 -0.55 0.68 -0.53 0.00 0.00 176.83 178.11 1bhx s VAL 154 N -2.27 1.62 0.29 2.23 -7.23 -1.26 -5.10 120.40 108.69 1bhx s VAL 154 Ca -0.20 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.70 1bhx s VAL 154 Cb -0.01 -2.60 -0.12 0.00 0.56 0.00 0.00 36.38 34.20 1bhx s VAL 154 CO 0.69 0.00 1.49 -0.11 -0.31 0.00 0.00 175.10 176.87 1bhx n LEU 155 N -1.13 3.96 -4.72 1.32 7.94 -1.26 -5.02 117.00 118.09 1bhx n LEU 155 Ca -0.11 1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 55.69 1bhx n LEU 155 Cb 0.67 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 43.01 1bhx n LEU 155 CO 0.44 -0.10 -0.28 -1.10 -1.11 0.00 0.00 177.39 175.23 1bhx s GLN 156 N -0.84 2.61 0.04 1.96 -1.52 -1.26 -5.14 119.66 115.52 1bhx s GLN 156 Ca 0.63 -1.04 0.02 0.00 -1.95 0.00 0.00 55.36 53.02 1bhx s GLN 156 Cb -0.54 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 29.76 1bhx s GLN 156 CO 0.52 0.46 -0.08 0.08 -0.25 0.00 0.00 175.29 176.02 1bhx s VAL 157 N -1.81 0.56 -0.20 1.09 1.01 -1.26 -5.15 120.40 114.64 1bhx s VAL 157 Ca 0.29 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1bhx s VAL 157 Cb -0.09 -0.66 0.06 0.00 0.00 0.00 0.00 36.38 35.68 1bhx s VAL 157 CO 0.21 -0.40 0.52 0.54 0.00 0.00 0.00 175.10 175.96 1bhx s VAL 158 N -1.48 -0.01 -0.20 2.92 0.11 -1.26 -5.14 120.40 115.35 1bhx s VAL 158 Ca -0.09 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1bhx s VAL 158 Cb -0.09 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1bhx s VAL 158 CO 0.00 0.01 0.07 0.20 -3.33 0.00 0.00 175.10 172.05 1bhx s ASN 159 N 0.66 5.54 0.04 3.54 0.01 -1.26 -5.07 114.94 118.39 1bhx s ASN 159 Ca -0.03 0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1bhx s ASN 159 Cb -0.05 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 1bhx s ASN 159 CO -0.04 0.12 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.75 1bhx s LEU 160 N 0.71 2.17 0.29 0.60 1.43 -1.26 -5.02 118.68 117.60 1bhx s LEU 160 Ca 0.04 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1bhx s LEU 160 Cb -0.13 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.34 1bhx s LEU 160 CO 0.02 0.05 0.74 -2.16 0.23 0.00 0.00 176.35 175.23 1bhx s PRO 161 N -1.15 4.10 0.32 1.29 0.04 -1.26 -4.83 135.00 133.51 1bhx s PRO 161 Ca 0.02 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1bhx s PRO 161 Cb -0.08 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 1bhx s PRO 161 CO 0.01 0.24 1.11 0.42 0.04 0.00 0.00 177.00 178.83 1bhx s ILE 162 N -1.81 3.45 0.04 0.56 1.01 -1.26 -1.56 121.20 121.63 1bhx s ILE 162 Ca 0.50 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.53 1bhx s ILE 162 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1bhx s ILE 162 CO 0.19 0.25 0.01 -0.69 0.00 0.00 0.00 174.94 174.69 1bhx s VAL 163 N -1.29 4.14 0.31 2.92 1.01 -0.93 -4.89 120.40 121.68 1bhx s VAL 163 Ca 0.49 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1bhx s VAL 163 Cb -0.30 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1bhx s VAL 163 CO 0.39 0.26 1.55 -1.61 0.00 0.00 0.00 175.10 175.69 1bhx s GLU 164 N -1.89 4.13 0.31 2.72 8.01 -1.26 -4.60 118.70 126.12 1bhx s GLU 164 Ca 0.23 2.55 0.07 0.00 0.01 0.00 0.00 54.97 57.82 1bhx s GLU 164 Cb -0.12 -3.02 0.85 0.00 -4.31 0.00 0.00 34.13 27.54 1bhx s GLU 164 CO 0.14 -0.58 1.66 0.00 0.01 0.00 0.00 175.26 176.49 1bhx h ARG 165 N 4.37 0.29 -0.43 1.61 3.08 -1.98 -1.28 114.38 120.04 1bhx h ARG 165 Ca -0.48 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 1bhx h ARG 165 Cb 1.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1bhx h ARG 165 CO 0.75 0.19 0.25 -1.35 -1.07 0.00 0.00 179.97 178.75 1bhx h PRO 166 N 0.30 0.59 -0.53 0.04 0.11 -2.00 -1.47 132.00 129.04 1bhx h PRO 166 Ca 0.62 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.65 1bhx h PRO 166 Cb 1.30 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1bhx h PRO 166 CO -0.61 0.44 0.22 0.28 -0.21 0.00 0.00 178.00 178.13 1bhx h VAL 167 N 0.57 1.19 0.08 3.15 2.07 -1.63 -2.07 116.25 119.61 1bhx h VAL 167 Ca 0.15 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1bhx h VAL 167 Cb 0.01 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1bhx h VAL 167 CO -0.03 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 1bhx h LYS 169 N -0.39 1.22 0.00 0.00 1.57 -1.15 -2.78 116.57 115.05 1bhx h LYS 169 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1bhx h LYS 169 Cb 0.34 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1bhx h LYS 169 CO 0.02 0.81 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 1bhx n ASP 170 N -4.44 0.00 -0.44 0.86 8.00 -0.79 -2.65 116.55 117.09 1bhx n ASP 170 Ca 0.11 -0.51 0.09 0.00 0.71 0.00 0.00 54.79 55.18 1bhx n ASP 170 Cb 0.02 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1bhx n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bhx n SER 171 N -1.03 1.82 -4.11 -2.24 3.41 -1.05 -5.00 113.62 105.42 1bhx n SER 171 Ca 0.13 -1.41 -0.11 0.00 -0.26 0.00 0.00 58.87 57.23 1bhx n SER 171 Cb 0.07 0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1bhx n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bhx s THR 172 N -1.99 0.02 -0.63 6.66 -1.32 -1.08 -4.88 115.64 112.43 1bhx s THR 172 Ca 0.15 -1.76 0.21 0.00 -1.21 0.00 0.00 61.69 59.08 1bhx s THR 172 Cb 0.14 -2.28 -0.26 0.00 -1.51 0.00 0.00 72.50 68.59 1bhx s THR 172 CO 0.42 -0.10 0.73 0.54 -2.21 0.00 0.00 174.62 174.00 1bhx n ARG 173 N -0.27 0.34 -2.18 7.08 1.74 -1.26 -4.94 116.66 117.17 1bhx n ARG 173 Ca -0.01 -0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1bhx n ARG 173 Cb 0.64 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 1bhx n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bhx s ILE 174 N -3.14 2.97 -0.33 0.55 -1.09 -1.26 -4.97 121.20 113.92 1bhx s ILE 174 Ca 0.02 0.89 -0.29 0.00 -2.23 0.00 0.00 60.65 59.05 1bhx s ILE 174 Cb 0.15 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1bhx s ILE 174 CO 0.86 0.18 1.51 -0.60 -1.23 0.00 0.00 174.94 175.67 1bhx s ARG 175 N -1.06 3.64 0.26 2.79 3.52 -1.26 -5.01 118.95 121.83 1bhx s ARG 175 Ca 0.52 1.26 -0.23 0.00 -0.13 0.00 0.00 55.73 57.14 1bhx s ARG 175 Cb -0.38 -4.03 -0.09 0.00 -1.56 0.00 0.00 34.95 28.89 1bhx s ARG 175 CO 0.46 -1.48 0.84 0.42 -0.81 0.00 0.00 175.30 174.73 1bhx s ILE 176 N 5.46 4.37 0.47 4.11 -1.09 -1.26 -5.08 121.20 128.18 1bhx s ILE 176 Ca 0.66 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.69 1bhx s ILE 176 Cb -0.19 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1bhx s ILE 176 CO 0.30 0.22 0.03 0.35 -1.23 0.00 0.00 174.94 174.61 1bhx n THR 177 N 0.76 0.00 0.84 2.92 -2.24 -1.26 -5.04 114.28 110.27 1bhx n THR 177 Ca -0.01 -2.31 0.13 0.00 -2.27 0.00 0.00 64.05 59.59 1bhx n THR 177 Cb 0.50 0.53 0.53 0.00 -2.10 0.00 0.00 70.33 69.79 1bhx n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bhx n ASP 178 N -1.34 0.16 -0.82 3.42 8.00 -1.26 -3.12 116.55 121.59 1bhx n ASP 178 Ca -0.18 0.52 0.04 0.00 0.71 0.00 0.00 54.79 55.88 1bhx n ASP 178 Cb 0.61 -0.56 0.15 0.00 -0.02 0.00 0.00 41.12 41.30 1bhx n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bhx n ASN 179 N -1.65 2.29 -4.03 -2.24 3.02 -1.26 -4.84 115.26 106.55 1bhx n ASN 179 Ca 0.06 -2.19 -0.08 0.00 -0.03 0.00 0.00 54.58 52.34 1bhx n ASN 179 Cb 0.33 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 1bhx n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bhx s MET 180 N -1.66 0.55 0.07 3.52 -1.94 -1.18 -1.03 119.30 117.63 1bhx s MET 180 Ca 0.21 -0.99 -0.08 0.00 -1.71 0.00 0.00 55.69 53.11 1bhx s MET 180 Cb 0.14 0.20 -0.00 0.00 2.01 0.00 0.00 34.83 37.17 1bhx s MET 180 CO 0.10 -0.11 0.18 -0.59 -0.01 0.00 0.00 175.02 174.58 1bhx s PHE 181 N -3.16 0.13 0.27 -0.03 -0.12 -0.90 -4.82 117.98 109.35 1bhx s PHE 181 Ca -0.00 -0.48 0.11 0.00 -0.05 0.00 0.00 56.93 56.50 1bhx s PHE 181 Cb 0.02 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.30 1bhx s PHE 181 CO -0.07 -0.48 -0.18 0.00 -0.05 0.00 0.00 175.22 174.44 1bhx s ALA 183 N -2.62 -1.04 0.00 0.00 0.00 0.10 -2.18 121.76 116.02 1bhx s ALA 183 Ca 0.29 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1bhx s ALA 183 Cb -0.03 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1bhx s ALA 183 CO 0.13 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1bhx n GLY 184 N 1.12 2.76 3.84 0.00 0.00 -0.60 -1.69 105.19 110.63 1bhx n GLY 184 Ca -0.21 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1bhx n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bhx s TYR 184 N -1.99 3.43 0.38 1.61 2.02 -1.26 -4.51 117.35 117.03 1bhx s TYR 184 Ca 0.00 1.22 -0.17 0.00 -0.37 0.00 0.00 57.07 57.75 1bhx s TYR 184 Cb 0.00 -2.52 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 1bhx s TYR 184 CO 0.00 0.16 0.83 0.15 -1.57 0.00 0.00 175.55 175.11 1bhx s LYS 185 N -2.78 4.05 0.49 -0.62 1.02 -1.26 -4.77 119.74 115.87 1bhx s LYS 185 Ca 0.51 0.82 0.28 0.00 0.02 0.00 0.00 55.97 57.60 1bhx s LYS 185 Cb -0.11 -2.32 1.36 0.00 -0.52 0.00 0.00 37.83 36.23 1bhx s LYS 185 CO 0.18 0.04 1.85 -1.00 -0.92 0.00 0.00 175.35 175.50 1bhx h PRO 186 N 1.94 0.14 0.00 -1.68 0.13 -1.95 -1.53 132.00 129.04 1bhx h PRO 186 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bhx h PRO 186 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1bhx h PRO 186 CO 0.63 0.09 -0.06 0.38 -0.23 0.00 0.00 178.00 178.82 1bhx h ASP 186 N 0.14 0.00 0.58 1.44 3.04 -1.97 -3.25 116.42 116.40 1bhx h ASP 186 Ca 0.49 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.26 1bhx h ASP 186 Cb 1.68 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.96 1bhx h ASP 186 CO -0.09 0.00 -0.06 -0.33 -2.04 0.00 0.00 179.24 176.72 1bhx h GLU 186 N 0.00 0.00 -5.72 4.15 5.08 -1.66 -3.47 114.58 112.97 1bhx h GLU 186 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1bhx h GLU 186 Cb 0.98 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.38 1bhx h GLU 186 CO 0.00 0.06 -0.73 0.41 -1.00 0.00 0.00 179.01 177.76 1bhx n GLY 186 N -0.43 -0.44 3.26 -3.84 0.00 -1.23 -5.01 105.19 97.50 1bhx n GLY 186 Ca -0.01 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1bhx n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bhx s LYS 186 N -5.78 0.68 0.43 1.61 2.47 -1.26 -5.17 119.74 112.72 1bhx s LYS 186 Ca 0.26 -0.13 0.03 0.00 -1.56 0.00 0.00 55.97 54.58 1bhx s LYS 186 Cb -0.12 0.31 -0.02 0.00 -1.46 0.00 0.00 37.83 36.54 1bhx s LYS 186 CO 0.73 -0.19 0.11 1.03 0.16 0.00 0.00 175.35 177.19 1bhx s ARG 187 N -1.25 2.00 0.00 4.03 0.52 -1.26 -4.63 118.95 118.36 1bhx s ARG 187 Ca -0.13 -2.23 0.00 0.00 -0.52 0.00 0.00 55.73 52.85 1bhx s ARG 187 Cb -0.05 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.65 1bhx s ARG 187 CO 0.04 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.30 1bhx n GLY 188 N -0.99 4.51 3.62 -3.53 0.00 -1.26 -4.95 105.19 102.59 1bhx n GLY 188 Ca -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 1bhx n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bhx s ASP 189 N 0.00 -0.09 0.75 1.61 2.15 -1.26 -4.68 116.67 115.15 1bhx s ASP 189 Ca 0.00 0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.91 1bhx s ASP 189 Cb 0.00 0.09 0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1bhx s ASP 189 CO 0.00 -0.13 1.10 0.00 -0.17 0.00 0.00 175.17 175.97 1bhx s ALA 190 N -1.93 2.88 0.06 3.66 0.00 -1.26 -4.88 121.76 120.30 1bhx s ALA 190 Ca 0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1bhx s ALA 190 Cb -0.01 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1bhx s ALA 190 CO -0.04 -1.41 0.11 0.00 0.00 0.00 0.00 175.76 174.42 1bhx n GLU 192 N -0.09 2.25 0.00 0.00 2.13 -1.26 -0.90 120.64 122.77 1bhx n GLU 192 Ca -0.01 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1bhx n GLU 192 Cb 0.10 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1bhx n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bhx n GLY 193 N 3.02 3.15 0.08 8.31 0.00 -1.26 -4.88 105.19 113.62 1bhx n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1bhx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bhx n ASP 194 N 0.00 0.76 -4.43 1.61 8.00 -0.08 -4.95 116.55 117.47 1bhx n ASP 194 Ca 0.00 0.34 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 1bhx n ASP 194 Cb 0.00 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1bhx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bhx n SER 195 N -2.19 -1.05 0.00 -2.24 7.64 -1.26 -1.62 113.62 112.90 1bhx n SER 195 Ca 0.04 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1bhx n SER 195 Cb 0.44 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1bhx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bhx n GLY 196 N 1.86 2.43 3.72 0.23 0.00 -0.35 -4.93 105.19 108.15 1bhx n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1bhx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bhx s GLY 197 N -1.75 1.58 0.17 -0.02 0.00 -0.64 -4.62 107.32 102.04 1bhx s GLY 197 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.13 1bhx s GLY 197 CO 0.00 0.24 0.80 2.56 0.00 0.00 0.00 173.10 176.70 1bhx s PRO 198 N -5.04 4.61 -0.33 2.90 0.04 -1.26 -1.16 135.00 134.75 1bhx s PRO 198 Ca 0.64 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1bhx s PRO 198 Cb -0.17 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 31.14 1bhx s PRO 198 CO 0.56 0.55 0.08 0.12 0.04 0.00 0.00 177.00 178.35 1bhx s PHE 199 N -1.09 3.26 0.24 0.56 5.36 -0.16 -4.87 117.98 121.29 1bhx s PHE 199 Ca 0.37 -1.54 0.11 0.00 -0.96 0.00 0.00 56.93 54.90 1bhx s PHE 199 Cb -0.23 -2.26 -0.05 0.00 -0.34 0.00 0.00 43.02 40.14 1bhx s PHE 199 CO 0.27 -0.75 -0.14 0.14 -1.46 0.00 0.00 175.22 173.27 1bhx s VAL 200 N 1.36 2.81 0.05 3.12 -7.23 -1.26 -1.32 120.40 117.93 1bhx s VAL 200 Ca -0.02 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1bhx s VAL 200 Cb -0.20 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1bhx s VAL 200 CO 0.02 -0.29 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.35 1bhx s MET 201 N -3.26 0.79 -0.26 4.82 -1.94 -0.06 -4.91 119.30 114.49 1bhx s MET 201 Ca 0.28 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.35 1bhx s MET 201 Cb -0.07 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 1bhx s MET 201 CO 0.15 0.18 0.11 0.21 -0.01 0.00 0.00 175.02 175.66 1bhx s LYS 202 N -1.43 3.77 0.10 2.03 2.20 -1.26 -0.57 119.74 124.59 1bhx s LYS 202 Ca -0.02 -0.41 -0.31 0.00 -0.36 0.00 0.00 55.97 54.87 1bhx s LYS 202 Cb -0.09 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1bhx s LYS 202 CO 0.01 -0.17 1.30 0.45 -0.36 0.00 0.00 175.35 176.59 1bhx s SER 203 N 1.62 6.94 0.19 1.43 0.15 0.24 -4.91 113.70 119.36 1bhx s SER 203 Ca 0.06 2.21 0.25 0.00 0.70 0.00 0.00 55.95 59.18 1bhx s SER 203 Cb -0.15 -2.59 0.90 0.00 -1.71 0.00 0.00 66.02 62.47 1bhx s SER 203 CO 0.06 -0.56 1.76 -0.81 1.20 0.00 0.00 173.24 174.89 1bhx n PRO 204 N 3.78 0.20 0.10 5.44 -0.04 -1.26 -0.57 135.00 142.66 1bhx n PRO 204 Ca 0.10 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 63.58 1bhx n PRO 204 Cb 0.44 -1.78 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 1bhx n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bhx h PHE 204 N 0.00 0.78 0.00 0.54 0.04 -1.97 -3.40 116.94 112.93 1bhx h PHE 204 Ca 0.00 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1bhx h PHE 204 Cb 0.58 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1bhx h PHE 204 CO 0.00 1.58 0.00 0.27 -0.60 0.00 0.00 178.31 179.56 1bhx n ASN 204 N -3.62 0.84 -1.12 2.17 0.23 -1.23 -5.03 115.26 107.50 1bhx n ASN 204 Ca -0.20 -1.11 -0.14 0.00 -0.53 0.00 0.00 54.58 52.60 1bhx n ASN 204 Cb 1.08 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.73 1bhx n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1bhx n ASN 205 N -0.05 -4.67 -4.85 0.53 5.15 0.27 -5.01 115.26 106.62 1bhx n ASN 205 Ca 0.00 0.32 -0.22 0.00 -0.60 0.00 0.00 54.58 54.09 1bhx n ASN 205 Cb 0.10 -3.45 -0.04 0.00 -0.53 0.00 0.00 39.78 35.87 1bhx n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bhx s ARG 206 N -3.31 2.98 -0.17 1.20 0.52 -1.24 -4.85 118.95 114.08 1bhx s ARG 206 Ca 0.00 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.07 1bhx s ARG 206 Cb 0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 1bhx s ARG 206 CO 0.00 0.35 0.16 -1.58 0.02 0.00 0.00 175.30 174.26 1bhx s TRP 207 N -2.14 3.47 -0.01 -0.53 0.52 -1.26 -0.59 118.94 118.40 1bhx s TRP 207 Ca 0.34 0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.97 1bhx s TRP 207 Cb -0.08 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1bhx s TRP 207 CO 0.26 0.40 -0.24 0.71 0.02 0.00 0.00 176.95 178.09 1bhx s TYR 208 N 0.01 2.18 -0.49 -1.98 1.51 0.26 -4.97 117.35 113.87 1bhx s TYR 208 Ca 0.11 -0.41 -0.21 0.00 -1.01 0.00 0.00 57.07 55.55 1bhx s TYR 208 Cb -0.12 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1bhx s TYR 208 CO 0.01 -0.01 0.70 -1.14 -1.11 0.00 0.00 175.55 174.00 1bhx s GLN 209 N -0.69 3.22 -0.06 -0.62 0.74 -1.26 -0.88 119.66 120.11 1bhx s GLN 209 Ca 0.10 -0.57 0.12 0.00 0.05 0.00 0.00 55.36 55.05 1bhx s GLN 209 Cb -0.09 -4.04 -0.23 0.00 1.10 0.00 0.00 33.01 29.75 1bhx s GLN 209 CO -0.00 -1.21 0.61 -1.33 -0.55 0.00 0.00 175.29 172.81 1bhx n MET 210 N 6.50 0.64 -4.18 1.67 2.81 -0.44 -4.80 117.12 119.32 1bhx n MET 210 Ca -0.03 0.28 -0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1bhx n MET 210 Cb 0.47 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 1bhx n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1bhx s GLY 211 N -5.16 1.34 -0.08 3.03 0.00 -0.78 -2.25 107.32 103.42 1bhx s GLY 211 Ca -0.06 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.05 1bhx s GLY 211 CO 0.82 -1.36 -0.12 -0.42 0.00 0.00 0.00 173.10 172.01 1bhx s ILE 212 N -4.14 1.18 -0.11 0.90 1.01 -1.11 -0.99 121.20 117.95 1bhx s ILE 212 Ca 0.36 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 60.21 1bhx s ILE 212 Cb 0.07 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 1bhx s ILE 212 CO 0.10 0.37 2.02 0.52 0.00 0.00 0.00 174.94 177.96 1bhx n VAL 213 N 3.99 0.55 0.00 2.92 0.31 -0.31 -1.46 118.33 124.32 1bhx n VAL 213 Ca -0.21 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1bhx n VAL 213 Cb 0.51 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1bhx n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bhx n SER 214 N 8.45 0.00 -4.27 4.52 2.88 -0.75 -1.21 113.62 123.24 1bhx n SER 214 Ca 0.25 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.65 1bhx n SER 214 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 1bhx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bhx s TRP 215 N 0.00 1.40 0.18 0.66 1.48 -1.10 -4.86 118.94 116.70 1bhx s TRP 215 Ca 0.00 -1.25 -0.23 0.00 -1.06 0.00 0.00 56.10 53.56 1bhx s TRP 215 Cb 0.00 -0.78 0.07 0.00 -1.16 0.00 0.00 33.47 31.61 1bhx s TRP 215 CO 0.00 -0.44 1.00 0.20 -4.06 0.00 0.00 176.95 173.65 1bhx s GLY 216 N -3.26 -0.03 -0.35 3.67 0.00 -1.26 -0.91 107.32 105.18 1bhx s GLY 216 Ca 0.38 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1bhx s GLY 216 CO 0.13 1.18 0.09 -0.54 0.00 0.00 0.00 173.10 173.96 1bhx s GLU 217 N -2.65 1.31 1.48 2.90 2.02 -1.26 -4.99 118.70 117.51 1bhx s GLU 217 Ca 0.17 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1bhx s GLU 217 Cb -0.02 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1bhx s GLU 217 CO 0.04 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 174.75 1bhx n GLY 219 N 4.28 -1.31 3.24 -1.39 0.00 -1.26 -4.71 105.19 104.04 1bhx n GLY 219 Ca 0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1bhx n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhx n ASP 221 N 4.66 -4.92 -4.73 0.00 2.03 -1.26 -4.94 116.55 107.39 1bhx n ASP 221 Ca -0.18 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 54.75 1bhx n ASP 221 Cb 0.53 -4.11 -0.04 0.00 -0.72 0.00 0.00 41.12 36.78 1bhx n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bhx s ARG 221 N -5.15 4.66 0.31 -0.67 0.52 -1.26 -4.96 118.95 112.39 1bhx s ARG 221 Ca 0.05 1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 1bhx s ARG 221 Cb -0.02 -3.37 -0.13 0.00 0.52 0.00 0.00 34.95 31.95 1bhx s ARG 221 CO 0.06 0.14 1.34 -0.25 0.02 0.00 0.00 175.30 176.61 1bhx n ASP 222 N 2.90 2.80 -0.31 0.23 9.92 -1.26 -1.60 116.55 129.22 1bhx n ASP 222 Ca 0.03 1.18 -0.04 0.00 -0.53 0.00 0.00 54.79 55.43 1bhx n ASP 222 Cb 0.49 -1.47 -0.02 0.00 -0.64 0.00 0.00 41.12 39.48 1bhx n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bhx n GLY 223 N 1.26 0.64 3.39 0.44 0.00 -1.26 -5.02 105.19 104.64 1bhx n GLY 223 Ca 0.07 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1bhx n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhx s LYS 224 N -1.72 1.42 0.18 1.61 -0.14 -0.63 -4.79 119.74 115.67 1bhx s LYS 224 Ca 0.00 -1.48 0.02 0.00 -1.36 0.00 0.00 55.97 53.16 1bhx s LYS 224 Cb 0.00 -1.64 -0.05 0.00 -1.68 0.00 0.00 37.83 34.46 1bhx s LYS 224 CO 0.00 0.35 -0.02 0.71 -0.76 0.00 0.00 175.35 175.63 1bhx s TYR 225 N -1.81 1.27 0.09 3.18 2.02 -1.26 -4.72 117.35 116.12 1bhx s TYR 225 Ca 0.19 -0.96 -0.12 0.00 -0.37 0.00 0.00 57.07 55.81 1bhx s TYR 225 Cb -0.07 -0.72 -0.06 0.00 -0.40 0.00 0.00 41.96 40.71 1bhx s TYR 225 CO 0.09 -0.14 0.45 0.20 -1.57 0.00 0.00 175.55 174.58 1bhx s GLY 226 N -3.19 2.40 -0.06 0.71 0.00 -0.68 -4.60 107.32 101.89 1bhx s GLY 226 Ca 0.23 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1bhx s GLY 226 CO 0.04 -0.03 -0.07 -1.36 0.00 0.00 0.00 173.10 171.68 1bhx s PHE 227 N -1.38 2.92 0.12 1.90 0.40 -0.09 -0.72 117.98 121.13 1bhx s PHE 227 Ca 0.33 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.76 1bhx s PHE 227 Cb -0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1bhx s PHE 227 CO 0.18 0.33 -0.21 0.71 0.70 0.00 0.00 175.22 176.93 1bhx s TYR 228 N -0.82 1.83 0.06 0.36 1.51 0.03 -1.80 117.35 118.53 1bhx s TYR 228 Ca 0.13 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1bhx s TYR 228 Cb -0.11 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 1bhx s TYR 228 CO 0.02 0.24 1.17 0.99 -1.11 0.00 0.00 175.55 176.86 1bhx s THR 229 N -1.34 4.09 -0.90 -0.71 2.01 -0.54 -2.12 115.64 116.12 1bhx s THR 229 Ca 0.09 1.52 -0.25 0.00 0.31 0.00 0.00 61.69 63.36 1bhx s THR 229 Cb -0.09 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.49 1bhx s THR 229 CO 0.05 0.13 1.38 -2.28 -0.69 0.00 0.00 174.62 173.21 1bhx s HIS 230 N 0.96 2.42 0.20 4.92 2.46 -0.19 -2.77 115.29 123.28 1bhx s HIS 230 Ca 0.57 -0.49 -0.11 0.00 0.47 0.00 0.00 55.06 55.50 1bhx s HIS 230 Cb -0.29 -4.66 0.23 0.00 -0.13 0.00 0.00 32.58 27.73 1bhx s HIS 230 CO 0.30 -2.00 1.75 0.28 -2.47 0.00 0.00 174.74 172.60 1bhx h VAL 231 N 6.48 0.82 -0.90 0.89 2.07 -1.77 -2.77 116.25 121.08 1bhx h VAL 231 Ca -0.00 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1bhx h VAL 231 Cb 1.03 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1bhx h VAL 231 CO 1.37 0.08 0.59 0.15 0.02 0.00 0.00 177.57 179.78 1bhx h PHE 232 N 0.42 1.12 0.00 1.57 3.57 -1.87 -2.03 116.94 119.73 1bhx h PHE 232 Ca 0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1bhx h PHE 232 Cb 0.30 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1bhx h PHE 232 CO -0.15 0.70 0.00 0.00 -2.23 0.00 0.00 178.31 176.62 1bhx h ARG 233 N 1.20 0.00 -0.43 1.11 3.08 -1.87 -1.58 114.38 115.88 1bhx h ARG 233 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1bhx h ARG 233 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1bhx h ARG 233 CO -0.08 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.10 1bhx n LEU 234 N -2.96 3.15 -0.09 3.04 4.77 -0.83 -4.70 117.00 119.39 1bhx n LEU 234 Ca -0.02 -1.98 0.01 0.00 -0.03 0.00 0.00 56.01 53.99 1bhx n LEU 234 Cb 0.11 -0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.22 1bhx n LEU 234 CO 0.20 0.79 1.12 0.50 -1.33 0.00 0.00 177.39 178.66 1bhx h LYS 235 N 2.56 0.72 -0.18 3.23 1.63 -0.62 -1.92 116.57 121.99 1bhx h LYS 235 Ca 0.00 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.64 1bhx h LYS 235 Cb 0.79 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1bhx h LYS 235 CO 0.00 0.55 -0.23 1.57 -3.45 0.00 0.00 179.45 177.89 1bhx h LYS 236 N 0.73 0.33 -0.24 1.90 5.09 -1.84 0.16 116.57 122.70 1bhx h LYS 236 Ca 0.19 -0.11 -0.15 0.00 0.09 0.00 0.00 60.65 60.67 1bhx h LYS 236 Cb 0.05 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.34 1bhx h LYS 236 CO -0.03 0.55 -0.46 2.35 -2.09 0.00 0.00 179.45 179.77 1bhx h TRP 237 N 0.30 0.76 -0.09 0.07 7.01 -1.72 -1.47 115.95 120.81 1bhx h TRP 237 Ca 0.05 -0.24 -0.02 0.00 2.11 0.00 0.00 58.89 60.79 1bhx h TRP 237 Cb 0.57 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1bhx h TRP 237 CO 0.01 0.97 -0.03 0.82 -2.79 0.00 0.00 178.44 177.42 1bhx h ILE 238 N 0.50 1.31 -0.66 2.65 2.04 -0.82 -2.02 117.51 120.51 1bhx h ILE 238 Ca 0.03 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1bhx h ILE 238 Cb 0.99 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1bhx h ILE 238 CO 0.09 0.28 0.39 1.56 0.00 0.00 0.00 178.15 180.47 1bhx h GLN 239 N -0.17 0.90 -0.54 2.37 4.20 -0.68 -2.70 115.11 118.49 1bhx h GLN 239 Ca 0.02 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1bhx h GLN 239 Cb 0.46 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1bhx h GLN 239 CO 0.01 0.64 -0.05 1.57 -0.67 0.00 0.00 178.83 180.33 1bhx h LYS 240 N 0.89 0.96 0.00 1.46 2.10 -1.21 -1.88 116.57 118.89 1bhx h LYS 240 Ca 0.24 -0.31 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 1bhx h LYS 240 Cb -0.02 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 1bhx h LYS 240 CO -0.04 0.98 -0.56 -0.39 -2.00 0.00 0.00 179.45 177.43 1bhx h VAL 241 N 0.87 1.20 0.34 0.07 -1.51 -1.26 -2.01 116.25 113.95 1bhx h VAL 241 Ca 0.15 -2.07 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1bhx h VAL 241 Cb 0.58 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1bhx h VAL 241 CO 0.04 0.55 -0.16 0.40 -1.23 0.00 0.00 177.57 177.16 1bhx h ILE 242 N 0.00 0.64 0.00 7.19 2.04 -1.15 0.11 117.51 126.33 1bhx h ILE 242 Ca -0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1bhx h ILE 242 Cb 1.14 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1bhx h ILE 242 CO 0.07 0.10 0.00 -2.24 0.00 0.00 0.00 178.15 176.09 1bhx h ASP 243 N -0.79 0.00 0.90 1.72 3.04 -1.43 0.12 116.42 119.98 1bhx h ASP 243 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1bhx h ASP 243 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 1bhx h ASP 243 CO 0.08 0.00 -0.94 1.67 -2.04 0.00 0.00 179.24 178.01 1bhx n GLN 244 N -2.67 0.51 0.00 4.15 7.27 -0.76 -4.38 117.38 121.50 1bhx n GLN 244 Ca 0.04 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.21 1bhx n GLN 244 Cb 0.41 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.29 1bhx n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1bhx n PHE 245 N -2.48 0.00 -3.59 3.69 3.72 0.38 -5.05 117.46 114.13 1bhx n PHE 245 Ca 0.01 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1bhx n PHE 245 Cb 0.52 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1bhx n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bhx n GLY 246 N -0.31 -0.39 0.55 1.37 0.00 0.41 -4.99 105.19 101.83 1bhx n GLY 246 Ca 0.00 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1bhx n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11