#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jki s TYR 152 N 0.00 -0.18 0.30 5.58 2.02 -1.26 -5.09 117.35 118.71 2jki s TYR 152 Ca 0.00 0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.87 2jki s TYR 152 Cb 0.00 0.31 -0.09 0.00 -0.40 0.00 0.00 41.96 41.78 2jki s TYR 152 CO 0.00 -0.09 0.87 0.50 -1.57 0.00 0.00 175.55 175.26 2jki s ARG 153 N 0.54 4.45 0.08 -0.62 3.52 -1.26 -4.88 118.95 120.78 2jki s ARG 153 Ca -0.00 1.16 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 2jki s ARG 153 Cb -0.04 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2jki s ARG 153 CO -0.12 0.30 -0.15 -3.38 -0.81 0.00 0.00 175.30 171.13 2jki s HIS 154 N -1.62 1.28 0.28 5.12 -3.43 -1.26 -0.96 115.29 114.70 2jki s HIS 154 Ca 0.49 -0.46 0.03 0.00 -0.80 0.00 0.00 55.06 54.31 2jki s HIS 154 Cb -0.17 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.22 2jki s HIS 154 CO 0.22 0.08 0.17 -1.21 -2.00 0.00 0.00 174.74 171.99 2jki s GLU 155 N -1.81 1.50 -0.03 -0.38 2.02 -0.61 -4.99 118.70 114.40 2jki s GLU 155 Ca -0.01 -1.84 -0.19 0.00 0.02 0.00 0.00 54.97 52.95 2jki s GLU 155 Cb -0.10 0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.22 2jki s GLU 155 CO 0.02 -0.45 0.41 1.52 0.02 0.00 0.00 175.26 176.78 2jki s TYR 156 N -3.74 -0.32 0.25 1.61 -0.85 -1.26 -0.84 117.35 112.21 2jki s TYR 156 Ca 0.38 0.54 0.03 0.00 -0.52 0.00 0.00 57.07 57.49 2jki s TYR 156 Cb 0.05 0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 2jki s TYR 156 CO 0.17 -0.44 0.02 1.52 -1.52 0.00 0.00 175.55 175.31 2jki s TYR 157 N -1.22 1.64 -0.01 -3.49 1.13 -0.99 -4.98 117.35 109.45 2jki s TYR 157 Ca -0.12 -0.97 -0.01 0.00 -1.41 0.00 0.00 57.07 54.56 2jki s TYR 157 Cb -0.04 -0.98 0.00 0.00 -1.10 0.00 0.00 41.96 39.84 2jki s TYR 157 CO 0.06 -0.07 0.02 1.14 -2.51 0.00 0.00 175.55 174.19 2jki s GLN 158 N -3.89 0.06 0.47 -3.49 -2.07 -1.26 -0.53 119.66 108.95 2jki s GLN 158 Ca 0.32 -0.02 0.09 0.00 -1.82 0.00 0.00 55.36 53.92 2jki s GLN 158 Cb 0.07 0.03 0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2jki s GLN 158 CO 0.11 -0.01 0.64 0.15 -1.32 0.00 0.00 175.29 174.86 2jki s LYS 159 N -0.13 2.64 0.60 9.60 1.02 -0.53 -5.01 119.74 127.94 2jki s LYS 159 Ca -0.02 -1.39 0.38 0.00 0.02 0.00 0.00 55.97 54.97 2jki s LYS 159 Cb -0.01 -2.71 1.87 0.00 -0.52 0.00 0.00 37.83 36.46 2jki s LYS 159 CO -0.00 -0.47 2.18 -1.00 -0.92 0.00 0.00 175.35 175.14 2jki h PRO 160 N 0.49 0.00 0.00 -1.68 0.13 -2.01 -3.25 132.00 125.68 2jki h PRO 160 Ca -0.36 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 2jki h PRO 160 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jki h PRO 160 CO 0.44 0.02 -1.52 0.39 -0.23 0.00 0.00 178.00 177.09 2jki n GLU 161 N -3.19 1.79 -4.39 0.86 1.02 -1.26 -4.39 120.64 111.08 2jki n GLU 161 Ca -0.01 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.89 2jki n GLU 161 Cb 0.19 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 2jki n GLU 161 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jki s GLU 162 N -2.36 1.46 -0.03 3.49 -1.05 -1.23 -0.40 118.70 118.59 2jki s GLU 162 Ca -0.04 -1.72 0.07 0.00 -0.15 0.00 0.00 54.97 53.13 2jki s GLU 162 Cb 0.04 -1.06 -0.01 0.00 -0.44 0.00 0.00 34.13 32.65 2jki s GLU 162 CO 0.36 0.05 -0.23 0.08 0.95 0.00 0.00 175.26 176.47 2jki s VAL 163 N -3.06 1.86 -0.32 1.83 1.01 0.43 -1.45 120.40 120.71 2jki s VAL 163 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2jki s VAL 163 Cb 0.03 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.95 2jki s VAL 163 CO 0.10 0.53 0.05 -0.69 0.00 0.00 0.00 175.10 175.09 2jki s VAL 164 N -0.39 1.74 -0.15 2.92 1.01 0.31 -0.10 120.40 125.74 2jki s VAL 164 Ca 0.04 -1.91 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 2jki s VAL 164 Cb -0.11 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2jki s VAL 164 CO 0.01 -0.56 0.69 -0.69 0.00 0.00 0.00 175.10 174.54 2jki s VAL 165 N 1.19 5.00 -0.18 2.92 1.01 -0.38 -2.34 120.40 127.62 2jki s VAL 165 Ca 0.08 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.35 2jki s VAL 165 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2jki s VAL 165 CO -0.13 0.14 0.05 -0.89 0.00 0.00 0.00 175.10 174.26 2jki s THR 166 N 1.61 4.66 -0.25 3.92 2.01 -0.02 -0.96 115.64 126.61 2jki s THR 166 Ca 0.33 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 2jki s THR 166 Cb -0.16 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2jki s THR 166 CO 0.13 0.47 0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 2jki s VAL 167 N 0.35 3.76 -0.74 3.82 1.01 -0.20 -1.58 120.40 126.83 2jki s VAL 167 Ca 0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 2jki s VAL 167 Cb -0.13 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.50 2jki s VAL 167 CO 0.00 0.29 1.17 -0.36 0.00 0.00 0.00 175.10 176.20 2jki s PHE 168 N 1.51 2.48 -0.22 5.22 0.40 -0.13 -0.38 117.98 126.86 2jki s PHE 168 Ca 0.05 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2jki s PHE 168 Cb -0.15 -4.50 0.08 0.00 0.51 0.00 0.00 43.02 38.96 2jki s PHE 168 CO 0.00 -1.89 0.14 0.00 0.70 0.00 0.00 175.22 174.18 2jki s ALA 169 N 4.95 0.27 -0.09 5.36 0.00 -0.87 -4.02 121.76 127.35 2jki s ALA 169 Ca 0.31 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2jki s ALA 169 Cb -0.11 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2jki s ALA 169 CO 0.11 -1.36 1.20 0.15 0.00 0.00 0.00 175.76 175.86 2jki s LYS 170 N 2.18 4.32 -1.11 0.00 -0.14 -1.25 -3.71 119.74 120.04 2jki s LYS 170 Ca 0.06 1.64 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 2jki s LYS 170 Cb -0.16 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 2jki s LYS 170 CO -0.19 -0.52 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 2jki n GLY 171 N 3.41 -0.16 3.71 -3.33 0.00 -0.20 -4.95 105.19 103.67 2jki n GLY 171 Ca 0.12 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2jki n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jki s ILE 172 N -2.65 3.26 0.22 -0.61 -1.09 -1.25 -4.95 121.20 114.13 2jki s ILE 172 Ca 0.00 0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 59.01 2jki s ILE 172 Cb 0.00 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.20 2jki s ILE 172 CO 0.00 0.07 1.58 -2.84 -1.23 0.00 0.00 174.94 172.51 2jki s PRO 173 N 1.16 4.19 0.40 2.79 0.02 -1.26 -4.76 135.00 137.54 2jki s PRO 173 Ca 0.65 2.44 0.24 0.00 0.02 0.00 0.00 61.00 64.35 2jki s PRO 173 Cb -0.37 -3.10 1.33 0.00 0.02 0.00 0.00 34.50 32.38 2jki s PRO 173 CO 0.30 -0.60 1.61 -0.22 -0.33 0.00 0.00 177.00 177.77 2jki h LYS 174 N 6.05 0.10 0.00 5.54 3.64 -1.95 0.61 116.57 130.55 2jki h LYS 174 Ca -0.44 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 2jki h LYS 174 Cb 1.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2jki h LYS 174 CO 0.87 0.07 -0.32 1.96 -2.27 0.00 0.00 179.45 179.76 2jki h GLN 175 N 0.10 0.00 0.00 1.90 1.08 -2.02 -3.18 115.11 113.00 2jki h GLN 175 Ca 0.82 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 58.02 2jki h GLN 175 Cb 2.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.72 2jki h GLN 175 CO -0.58 0.32 -0.44 -0.91 -0.95 0.00 0.00 178.83 176.27 2jki h ASN 176 N 0.00 0.00 -3.27 1.46 2.35 -1.23 -3.44 115.58 111.46 2jki h ASN 176 Ca -0.00 -0.05 -0.59 0.00 -0.55 0.00 0.00 56.30 55.11 2jki h ASN 176 Cb 0.67 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.96 2jki h ASN 176 CO 0.04 0.02 0.57 -0.69 -1.65 0.00 0.00 177.43 175.72 2jki s VAL 177 N -3.23 4.77 -0.29 2.81 1.01 -1.20 -1.19 120.40 123.07 2jki s VAL 177 Ca 0.05 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 2jki s VAL 177 Cb 0.09 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.34 2jki s VAL 177 CO 0.71 -0.16 -0.03 0.21 0.00 0.00 0.00 175.10 175.83 2jki s ASN 178 N 1.38 4.76 -0.12 3.32 3.04 -0.80 -4.99 114.94 121.54 2jki s ASN 178 Ca 0.37 -1.37 0.03 0.00 0.04 0.00 0.00 52.86 51.93 2jki s ASN 178 Cb -0.15 -1.66 0.01 0.00 -1.54 0.00 0.00 41.25 37.91 2jki s ASN 178 CO 0.09 -0.25 -0.20 -0.63 -3.04 0.00 0.00 177.10 173.06 2jki s ILE 179 N 1.19 1.88 0.18 -5.21 1.01 -1.26 -1.64 121.20 117.35 2jki s ILE 179 Ca -0.05 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.81 2jki s ILE 179 Cb -0.20 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2jki s ILE 179 CO -0.03 0.52 -0.20 -1.81 0.00 0.00 0.00 174.94 173.42 2jki s ASP 180 N 0.72 2.94 0.11 3.58 1.11 -0.63 -5.01 116.67 119.49 2jki s ASP 180 Ca -0.10 -0.88 0.09 0.00 0.18 0.00 0.00 52.55 51.84 2jki s ASP 180 Cb -0.16 -0.19 -0.04 0.00 1.07 0.00 0.00 42.92 43.60 2jki s ASP 180 CO 0.01 0.01 -0.24 -0.36 1.18 0.00 0.00 175.17 175.77 2jki s PHE 181 N -2.01 2.05 0.30 4.23 0.08 -1.26 -2.11 117.98 119.27 2jki s PHE 181 Ca 0.18 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.86 2jki s PHE 181 Cb -0.06 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 2jki s PHE 181 CO 0.08 0.25 0.10 0.20 -0.10 0.00 0.00 175.22 175.75 2jki s GLY 182 N -1.87 1.98 0.40 4.36 0.00 -0.63 -4.95 107.32 106.61 2jki s GLY 182 Ca 0.10 -1.82 0.11 0.00 0.00 0.00 0.00 44.72 43.11 2jki s GLY 182 CO 0.05 -1.67 1.96 -2.09 0.00 0.00 0.00 173.10 171.34 2jki h GLU 183 N 2.22 0.53 0.00 2.90 4.81 -1.99 -3.20 114.58 119.84 2jki h GLU 183 Ca -0.38 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2jki h GLU 183 Cb 1.25 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 2jki h GLU 183 CO 0.61 0.35 -0.56 0.94 -0.73 0.00 0.00 179.01 179.62 2jki n GLN 184 N -4.48 0.00 -4.33 1.92 7.27 -1.26 -0.32 117.38 116.18 2jki n GLN 184 Ca 0.11 -1.11 -0.19 0.00 0.07 0.00 0.00 57.00 55.88 2jki n GLN 184 Cb 0.35 -0.38 -0.10 0.00 2.41 0.00 0.00 30.24 32.51 2jki n GLN 184 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2jki s ILE 185 N 0.00 1.68 0.02 1.69 -4.36 -1.21 -0.18 121.20 118.85 2jki s ILE 185 Ca 0.05 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 2jki s ILE 185 Cb 0.06 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.79 2jki s ILE 185 CO -0.03 -0.55 -0.12 -0.22 0.24 0.00 0.00 174.94 174.26 2jki s LEU 186 N -3.15 2.13 -0.14 0.37 2.96 -1.16 -1.61 118.68 118.08 2jki s LEU 186 Ca 0.20 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2jki s LEU 186 Cb -0.02 -0.51 0.05 0.00 0.50 0.00 0.00 46.19 46.21 2jki s LEU 186 CO 0.06 0.03 0.03 -0.55 -1.32 0.00 0.00 176.35 174.61 2jki s SER 187 N -0.88 2.29 -0.18 3.68 0.15 -0.90 -3.21 113.70 114.66 2jki s SER 187 Ca 0.01 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 2jki s SER 187 Cb -0.07 -0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2jki s SER 187 CO 0.01 -0.27 -0.10 -0.69 1.20 0.00 0.00 173.24 173.38 2jki s VAL 188 N 1.96 3.02 -0.40 4.45 1.01 0.43 -1.60 120.40 129.26 2jki s VAL 188 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2jki s VAL 188 Cb -0.15 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.05 2jki s VAL 188 CO -0.07 0.48 0.22 -0.69 0.00 0.00 0.00 175.10 175.04 2jki s VAL 189 N 1.00 0.92 0.09 2.92 1.01 -0.65 -0.43 120.40 125.26 2jki s VAL 189 Ca -0.01 -2.18 -0.23 0.00 0.00 0.00 0.00 61.98 59.56 2jki s VAL 189 Cb -0.15 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 2jki s VAL 189 CO -0.01 -0.92 0.68 0.27 0.00 0.00 0.00 175.10 175.12 2jki s ILE 190 N 0.68 4.64 -0.25 2.22 -4.36 -0.99 -1.90 121.20 121.24 2jki s ILE 190 Ca 0.17 1.46 -0.17 0.00 -0.26 0.00 0.00 60.65 61.85 2jki s ILE 190 Cb -0.24 -4.03 -0.03 0.00 1.25 0.00 0.00 42.46 39.42 2jki s ILE 190 CO -0.01 0.49 0.49 -0.70 0.24 0.00 0.00 174.94 175.45 2jki s GLU 191 N -0.77 4.08 -0.19 0.37 2.12 -0.33 -1.04 118.70 122.93 2jki s GLU 191 Ca 0.33 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.82 2jki s GLU 191 Cb -0.21 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2jki s GLU 191 CO 0.22 -0.31 0.24 0.08 -0.54 0.00 0.00 175.26 174.95 2jki s VAL 192 N 2.16 5.33 0.06 3.70 1.01 -1.26 -4.93 120.40 126.47 2jki s VAL 192 Ca 0.20 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 2jki s VAL 192 Cb -0.16 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 2jki s VAL 192 CO 0.09 0.37 1.59 -0.65 0.00 0.00 0.00 175.10 176.50 2jki h PRO 193 N 6.95 0.05 0.54 2.72 0.11 -1.96 -3.30 132.00 137.11 2jki h PRO 193 Ca -0.40 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 2jki h PRO 193 Cb 1.16 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jki h PRO 193 CO 0.73 0.20 -0.26 0.78 -0.21 0.00 0.00 178.00 179.24 2jki h GLY 194 N -0.11 -0.76 0.00 -0.55 0.00 -2.05 -3.48 103.07 96.12 2jki h GLY 194 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2jki h GLY 194 CO -0.00 -0.28 0.00 -1.84 0.00 0.00 0.00 176.54 174.42 2jki n GLU 195 N -4.08 3.98 -1.40 4.80 0.00 -1.24 -5.10 120.64 117.59 2jki n GLU 195 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.72 2jki n GLU 195 Cb 0.29 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.83 2jki n GLU 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jki s ASP 196 N 0.62 4.10 0.97 -1.84 1.01 -1.26 -4.54 116.67 115.73 2jki s ASP 196 Ca 0.00 2.41 -0.11 0.00 0.71 0.00 0.00 52.55 55.56 2jki s ASP 196 Cb 0.00 -2.59 0.18 0.00 1.01 0.00 0.00 42.92 41.51 2jki s ASP 196 CO 0.00 -2.33 1.11 0.00 0.21 0.00 0.00 175.17 174.16 2jki s ALA 197 N -1.92 1.00 -0.08 5.23 0.00 -1.26 -4.32 121.76 120.42 2jki s ALA 197 Ca 0.76 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 2jki s ALA 197 Cb -0.31 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2jki s ALA 197 CO 0.46 -3.00 0.48 -0.47 0.00 0.00 0.00 175.76 173.22 2jki s TYR 198 N -2.61 3.58 -0.09 0.00 5.04 -0.20 -4.91 117.35 118.16 2jki s TYR 198 Ca 0.67 0.95 0.04 0.00 -2.44 0.00 0.00 57.07 56.29 2jki s TYR 198 Cb -0.23 -2.50 -0.01 0.00 0.35 0.00 0.00 41.96 39.57 2jki s TYR 198 CO 0.60 0.30 -0.22 0.71 -1.34 0.00 0.00 175.55 175.59 2jki s TYR 199 N 0.14 2.57 -0.34 4.97 1.51 -1.26 -2.35 117.35 122.60 2jki s TYR 199 Ca 0.26 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 2jki s TYR 199 Cb -0.16 -1.70 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 2jki s TYR 199 CO 0.12 -0.32 0.11 -1.17 -1.11 0.00 0.00 175.55 173.17 2jki s LEU 200 N 0.20 2.94 -0.45 -1.29 2.96 0.43 -5.00 118.68 118.46 2jki s LEU 200 Ca -0.13 -1.92 0.09 0.00 -0.22 0.00 0.00 54.13 51.95 2jki s LEU 200 Cb -0.17 -1.08 0.33 0.00 0.50 0.00 0.00 46.19 45.77 2jki s LEU 200 CO 0.07 -0.38 0.76 0.00 -1.32 0.00 0.00 176.35 175.48 2jki n GLN 201 N 4.51 1.66 -1.40 1.98 6.02 -1.26 -0.43 117.38 128.46 2jki n GLN 201 Ca 0.01 -3.85 -0.32 0.00 -0.01 0.00 0.00 57.00 52.83 2jki n GLN 201 Cb 0.41 -1.82 0.08 0.00 1.02 0.00 0.00 30.24 29.93 2jki n GLN 201 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2jki s PRO 202 N -2.54 2.34 -0.32 -1.09 0.04 -1.20 -4.87 135.00 127.36 2jki s PRO 202 Ca 0.42 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 2jki s PRO 202 Cb 0.29 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 2jki s PRO 202 CO -0.10 -1.60 0.56 1.03 0.04 0.00 0.00 177.00 176.93 2jki s ARG 203 N -4.51 3.82 0.61 4.56 0.52 -1.26 -2.96 118.95 119.72 2jki s ARG 203 Ca 0.65 0.11 -0.18 0.00 -0.52 0.00 0.00 55.73 55.79 2jki s ARG 203 Cb -0.20 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 2jki s ARG 203 CO 0.50 -0.56 1.20 -0.51 0.02 0.00 0.00 175.30 175.94 2jki s LEU 204 N 2.47 3.61 0.00 2.53 1.43 0.75 -2.25 118.68 127.22 2jki s LEU 204 Ca 0.22 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2jki s LEU 204 Cb -0.15 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2jki s LEU 204 CO 0.12 -1.64 0.86 0.33 0.23 0.00 0.00 176.35 176.24 2jki n PHE 205 N -1.75 0.00 -2.66 0.29 -0.00 -0.61 -4.54 117.46 108.19 2jki n PHE 205 Ca 0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.35 2jki n PHE 205 Cb 0.50 -0.36 0.11 0.00 -0.00 0.00 0.00 39.48 39.74 2jki n PHE 205 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2jki s GLY 206 N -0.71 1.74 0.41 7.13 0.00 -1.26 -4.92 107.32 109.71 2jki s GLY 206 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 2jki s GLY 206 CO 0.00 -1.29 0.64 0.54 0.00 0.00 0.00 173.10 173.00 2jki s LYS 207 N -5.12 3.44 0.26 2.90 1.02 -1.26 -4.73 119.74 116.24 2jki s LYS 207 Ca 0.67 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.49 2jki s LYS 207 Cb -0.04 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 2jki s LYS 207 CO 0.44 -0.03 0.16 0.96 -0.92 0.00 0.00 175.35 175.96 2jki s ILE 208 N -2.49 0.17 -0.50 2.17 -4.36 0.57 -1.11 121.20 115.65 2jki s ILE 208 Ca 0.43 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.75 2jki s ILE 208 Cb -0.10 -2.52 0.13 0.00 1.25 0.00 0.00 42.46 41.22 2jki s ILE 208 CO 0.39 0.00 0.35 -0.63 0.24 0.00 0.00 174.94 175.29 2jki s ILE 209 N -3.83 4.03 0.44 8.37 -1.09 -0.23 -4.64 121.20 124.25 2jki s ILE 209 Ca 0.38 -2.03 0.11 0.00 -2.23 0.00 0.00 60.65 56.88 2jki s ILE 209 Cb 0.06 -3.66 0.23 0.00 -1.58 0.00 0.00 42.46 37.50 2jki s ILE 209 CO 0.16 -0.79 2.04 -0.65 -1.23 0.00 0.00 174.94 174.48 2jki h PRO 210 N 8.15 0.24 0.00 2.79 0.11 -1.88 -0.40 132.00 141.01 2jki h PRO 210 Ca -0.15 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 2jki h PRO 210 Cb 1.05 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jki h PRO 210 CO 0.80 0.24 -0.28 0.38 -0.21 0.00 0.00 178.00 178.93 2jki h ASP 211 N 0.24 0.00 0.65 -2.05 -0.00 -1.96 -2.76 116.42 110.55 2jki h ASP 211 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 2jki h ASP 211 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 2jki h ASP 211 CO -0.00 0.28 -0.32 0.29 -0.00 0.00 0.00 179.24 179.49 2jki n LYS 212 N -3.45 0.04 -2.53 4.15 4.76 -0.20 -4.89 118.16 116.04 2jki n LYS 212 Ca -0.00 -0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 2jki n LYS 212 Cb 0.46 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 2jki n LYS 212 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jki s LYS 214 N -1.04 1.56 0.25 0.00 -0.14 -0.99 -5.03 119.74 114.35 2jki s LYS 214 Ca 0.46 -1.83 -0.17 0.00 -1.36 0.00 0.00 55.97 53.06 2jki s LYS 214 Cb -0.30 -0.85 0.01 0.00 -1.68 0.00 0.00 37.83 35.01 2jki s LYS 214 CO 0.37 -0.13 0.59 1.52 -0.76 0.00 0.00 175.35 176.94 2jki s TYR 215 N -3.28 0.02 -0.18 3.18 1.13 -1.26 -1.66 117.35 115.31 2jki s TYR 215 Ca 0.33 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.49 2jki s TYR 215 Cb 0.07 0.45 0.07 0.00 -1.10 0.00 0.00 41.96 41.45 2jki s TYR 215 CO 0.13 -1.07 0.41 -2.00 -2.51 0.00 0.00 175.55 170.51 2jki s GLU 216 N -3.94 0.36 -0.06 -3.49 2.12 0.50 -4.99 118.70 109.20 2jki s GLU 216 Ca 0.15 0.87 -0.16 0.00 0.36 0.00 0.00 54.97 56.19 2jki s GLU 216 Cb -0.03 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 2jki s GLU 216 CO 0.05 -0.19 0.41 0.08 -0.54 0.00 0.00 175.26 175.07 2jki s VAL 217 N 1.83 5.12 0.00 3.70 1.01 -1.26 -1.66 120.40 129.14 2jki s VAL 217 Ca -0.07 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2jki s VAL 217 Cb -0.10 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jki s VAL 217 CO -0.13 0.48 0.03 0.18 0.00 0.00 0.00 175.10 175.66 2jki n LEU 218 N 2.63 0.06 0.00 3.92 4.77 -0.62 -5.01 117.00 122.75 2jki n LEU 218 Ca -0.12 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2jki n LEU 218 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jki n LEU 218 CO 0.39 0.02 0.00 -1.54 -1.33 0.00 0.00 177.39 174.93 2jki n SER 219 N -0.25 0.00 -0.03 -1.43 3.41 -1.26 -4.60 113.62 109.46 2jki n SER 219 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2jki n SER 219 Cb 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 2jki n SER 219 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jki n THR 220 N -0.25 0.45 -3.75 6.66 -2.24 -1.26 -1.03 114.28 112.86 2jki n THR 220 Ca 0.00 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 2jki n THR 220 Cb 0.00 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 2jki n THR 220 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2jki s LYS 221 N -2.16 1.52 -0.22 -0.78 0.00 -1.24 -2.06 119.74 114.79 2jki s LYS 221 Ca -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 55.97 55.05 2jki s LYS 221 Cb 0.02 0.56 0.02 0.00 0.00 0.00 0.00 37.83 38.43 2jki s LYS 221 CO 0.26 -0.66 -0.12 0.42 0.00 0.00 0.00 175.35 175.25 2jki s ILE 222 N -3.88 2.49 -0.07 3.79 1.01 0.49 -1.59 121.20 123.44 2jki s ILE 222 Ca 0.10 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2jki s ILE 222 Cb -0.03 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2jki s ILE 222 CO -0.00 0.33 0.31 -1.61 0.00 0.00 0.00 174.94 173.97 2jki s GLU 223 N 1.29 3.90 -0.20 2.79 2.02 -0.66 -1.03 118.70 126.81 2jki s GLU 223 Ca 0.01 0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.20 2jki s GLU 223 Cb -0.15 -3.27 0.05 0.00 0.10 0.00 0.00 34.13 30.85 2jki s GLU 223 CO -0.08 0.58 -0.05 0.42 0.02 0.00 0.00 175.26 176.15 2jki s ILE 224 N -0.62 1.28 -0.53 -1.63 1.01 -0.13 -0.37 121.20 120.21 2jki s ILE 224 Ca 0.20 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 2jki s ILE 224 Cb -0.14 -1.50 0.07 0.00 0.01 0.00 0.00 42.46 40.89 2jki s ILE 224 CO 0.08 0.02 0.65 0.00 0.00 0.00 0.00 174.94 175.70 2jki s LEU 226 N 2.69 4.19 -0.45 0.00 1.43 0.86 -2.36 118.68 125.04 2jki s LEU 226 Ca 0.15 1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 54.09 2jki s LEU 226 Cb -0.20 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2jki s LEU 226 CO 0.11 -0.32 0.82 0.00 0.23 0.00 0.00 176.35 177.18 2jki s ALA 227 N 1.89 3.29 0.32 4.21 0.00 -1.26 -0.43 121.76 129.79 2jki s ALA 227 Ca 0.35 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 2jki s ALA 227 Cb -0.17 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 2jki s ALA 227 CO 0.13 -1.92 1.55 1.63 0.00 0.00 0.00 175.76 177.15 2jki n LYS 228 N 6.79 2.67 0.01 0.00 5.02 0.46 -1.07 118.16 132.05 2jki n LYS 228 Ca 0.03 0.95 -0.19 0.00 -2.02 0.00 0.00 58.31 57.08 2jki n LYS 228 Cb 0.48 -2.71 -0.10 0.00 -0.02 0.00 0.00 35.03 32.69 2jki n LYS 228 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jki h ALA 229 N 4.07 0.16 -4.09 7.82 0.00 -1.38 -3.43 119.26 122.41 2jki h ALA 229 Ca -0.48 -0.64 -0.69 0.00 0.00 0.00 0.00 54.91 53.10 2jki h ALA 229 Cb 1.23 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.78 2jki h ALA 229 CO 0.73 0.59 -0.83 -0.51 0.00 0.00 0.00 179.25 179.23 2jki s ASP 230 N -7.09 3.49 -1.10 0.00 1.01 -1.26 -5.01 116.67 106.71 2jki s ASP 230 Ca -0.11 -0.38 -0.22 0.00 0.71 0.00 0.00 52.55 52.55 2jki s ASP 230 Cb 0.06 -0.80 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 2jki s ASP 230 CO 0.89 0.29 1.84 0.27 0.21 0.00 0.00 175.17 178.67 2jki s ILE 231 N -0.41 3.67 -0.13 0.77 -4.36 -1.26 -4.85 121.20 114.63 2jki s ILE 231 Ca 0.04 -0.91 -0.09 0.00 -0.26 0.00 0.00 60.65 59.44 2jki s ILE 231 Cb -0.12 -4.58 0.04 0.00 1.25 0.00 0.00 42.46 39.05 2jki s ILE 231 CO 0.02 -1.29 0.32 -0.51 0.24 0.00 0.00 174.94 173.72 2jki s ILE 232 N 8.72 -0.02 -0.13 8.37 1.10 -1.26 -5.10 121.20 132.88 2jki s ILE 232 Ca 0.63 0.08 -0.29 0.00 -0.51 0.00 0.00 60.65 60.56 2jki s ILE 232 Cb -0.02 -0.48 -0.02 0.00 0.15 0.00 0.00 42.46 42.09 2jki s ILE 232 CO 0.05 0.03 1.34 -0.89 -2.11 0.00 0.00 174.94 173.36 2jki s THR 233 N 0.92 4.12 0.44 4.00 2.01 -1.26 -5.00 115.64 120.87 2jki s THR 233 Ca -0.06 1.37 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 2jki s THR 233 Cb -0.07 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2jki s THR 233 CO -0.07 -0.11 1.01 0.26 -0.69 0.00 0.00 174.62 175.02 2jki s TRP 234 N 3.47 3.20 -2.05 4.92 0.52 -1.26 -4.96 118.94 122.77 2jki s TRP 234 Ca 0.59 1.62 0.17 0.00 0.02 0.00 0.00 56.10 58.50 2jki s TRP 234 Cb -0.24 -3.01 0.20 0.00 -1.15 0.00 0.00 33.47 29.26 2jki s TRP 234 CO 0.18 -0.50 1.11 0.00 0.02 0.00 0.00 176.95 177.76 2jki n ALA 235 N -0.53 2.44 -3.60 0.98 0.00 -1.26 -5.00 120.51 113.54 2jki n ALA 235 Ca 0.07 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.74 2jki n ALA 235 Cb 0.52 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 2jki n ALA 235 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jki s SER 236 N -1.38 -0.15 -0.01 0.00 1.04 -1.26 -5.04 113.70 106.90 2jki s SER 236 Ca 0.23 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 2jki s SER 236 Cb 0.15 0.21 -0.19 0.00 0.10 0.00 0.00 66.02 66.28 2jki s SER 236 CO 0.22 -0.35 1.25 0.25 0.98 0.00 0.00 173.24 175.60 2jki h LEU 237 N 2.00 0.10 0.00 2.42 5.85 -1.98 -3.40 115.31 120.30 2jki h LEU 237 Ca -0.17 -0.52 -0.24 0.00 0.84 0.00 0.00 57.88 57.79 2jki h LEU 237 Cb 1.19 -0.03 0.05 0.00 0.37 0.00 0.00 40.66 42.24 2jki h LEU 237 CO 0.25 0.60 0.08 -1.84 -0.34 0.00 0.00 178.44 177.19 2jki n GLU 238 N -4.76 0.11 -3.52 1.25 0.28 -1.26 -1.58 120.64 111.17 2jki n GLU 238 Ca -0.08 -1.38 -0.27 0.00 -0.16 0.00 0.00 57.16 55.27 2jki n GLU 238 Cb 0.30 -0.40 -0.14 0.00 1.43 0.00 0.00 31.44 32.63 2jki n GLU 238 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2jki s HIS 239 N -1.64 0.19 -2.60 -1.84 5.65 -0.95 -3.75 115.29 110.34 2jki s HIS 239 Ca 0.35 -0.73 0.27 0.00 0.25 0.00 0.00 55.06 55.20 2jki s HIS 239 Cb -0.02 -0.82 0.87 0.00 -1.18 0.00 0.00 32.58 31.44 2jki s HIS 239 CO 0.24 -0.83 1.65 0.41 -0.65 0.00 0.00 174.74 175.56