#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz0 h GLU 173 N 0.00 0.95 -0.43 -0.67 4.57 -2.05 -2.24 114.58 114.71 3kz0 h GLU 173 Ca 0.00 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3kz0 h GLU 173 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3kz0 h GLU 173 CO 0.00 1.05 0.23 1.25 -1.18 0.00 0.00 179.01 180.37 3kz0 h LEU 174 N 0.82 0.53 -0.28 1.64 5.85 -2.03 -1.00 115.31 120.86 3kz0 h LEU 174 Ca 0.11 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kz0 h LEU 174 Cb 0.76 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3kz0 h LEU 174 CO 0.06 0.47 0.15 0.22 -0.34 0.00 0.00 178.44 179.00 3kz0 h TYR 175 N 0.56 0.38 -0.11 1.25 3.20 -1.96 -0.82 116.97 119.47 3kz0 h TYR 175 Ca 0.15 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3kz0 h TYR 175 Cb 0.05 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3kz0 h TYR 175 CO -0.02 0.33 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.70 3kz0 h ARG 176 N 0.33 -0.01 -0.35 1.82 2.43 -1.13 0.80 114.38 118.26 3kz0 h ARG 176 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3kz0 h ARG 176 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3kz0 h ARG 176 CO -0.01 -0.01 0.21 0.37 -1.51 0.00 0.00 179.97 179.02 3kz0 h GLN 177 N -0.01 0.47 -0.49 0.20 4.15 -1.10 -1.43 115.11 116.90 3kz0 h GLN 177 Ca 0.06 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3kz0 h GLN 177 Cb 0.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3kz0 h GLN 177 CO -0.12 0.35 0.28 0.77 -1.93 0.00 0.00 178.83 178.18 3kz0 h SER 178 N 0.46 0.60 -0.80 -0.69 0.02 -0.80 -1.58 113.55 110.76 3kz0 h SER 178 Ca 0.13 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3kz0 h SER 178 Cb 0.00 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kz0 h SER 178 CO -0.02 0.50 0.31 0.25 -1.14 0.00 0.00 176.83 176.73 3kz0 h LEU 179 N 0.64 1.11 0.23 5.07 5.85 -0.67 -0.86 115.31 126.68 3kz0 h LEU 179 Ca 0.17 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kz0 h LEU 179 Cb 0.03 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3kz0 h LEU 179 CO -0.03 0.98 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.86 3kz0 h GLU 180 N 1.16 -0.30 0.33 1.25 4.81 -0.97 0.05 114.58 120.91 3kz0 h GLU 180 Ca 0.26 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kz0 h GLU 180 Cb 0.23 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3kz0 h GLU 180 CO -0.02 -0.07 -0.32 0.82 -0.73 0.00 0.00 179.01 178.69 3kz0 h ILE 181 N -0.50 0.34 -0.77 2.32 2.04 -1.18 -1.43 117.51 118.33 3kz0 h ILE 181 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3kz0 h ILE 181 Cb 0.37 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3kz0 h ILE 181 CO 0.05 0.00 0.40 0.40 0.00 0.00 0.00 178.15 179.01 3kz0 h ILE 182 N -0.67 1.23 -0.24 -0.67 2.04 -1.18 -2.44 117.51 115.58 3kz0 h ILE 182 Ca -0.02 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3kz0 h ILE 182 Cb 0.61 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3kz0 h ILE 182 CO -0.06 0.26 0.02 0.28 0.00 0.00 0.00 178.15 178.66 3kz0 h SER 183 N 1.07 0.40 -0.66 1.72 0.02 -0.80 -2.35 113.55 112.95 3kz0 h SER 183 Ca 0.27 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3kz0 h SER 183 Cb 0.05 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3kz0 h SER 183 CO -0.04 0.58 0.29 0.03 -1.14 0.00 0.00 176.83 176.55 3kz0 h ARG 184 N 0.20 1.00 -0.07 3.45 3.08 -1.04 -0.36 114.38 120.64 3kz0 h ARG 184 Ca 0.07 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3kz0 h ARG 184 Cb 0.36 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kz0 h ARG 184 CO 0.01 0.80 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.78 3kz0 h TYR 185 N 0.98 0.15 -0.80 3.04 3.20 -1.39 -1.99 116.97 120.16 3kz0 h TYR 185 Ca 0.23 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3kz0 h TYR 185 Cb 0.16 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3kz0 h TYR 185 CO 0.01 0.45 0.41 -0.07 -1.64 0.00 0.00 178.16 177.32 3kz0 h LEU 186 N -0.19 1.02 -0.29 2.82 4.07 -1.23 -0.56 115.31 120.95 3kz0 h LEU 186 Ca 0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 3kz0 h LEU 186 Cb 0.40 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3kz0 h LEU 186 CO 0.01 0.85 0.08 -0.09 -1.08 0.00 0.00 178.44 178.21 3kz0 h ARG 187 N 1.12 0.45 0.00 1.13 2.43 -1.05 0.29 114.38 118.76 3kz0 h ARG 187 Ca 0.28 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3kz0 h ARG 187 Cb 0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3kz0 h ARG 187 CO -0.04 0.52 -0.54 1.05 -1.51 0.00 0.00 179.97 179.45 3kz0 h GLU 188 N 0.30 0.00 -0.17 0.20 4.11 -1.24 -0.03 114.58 117.75 3kz0 h GLU 188 Ca 0.09 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.36 3kz0 h GLU 188 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3kz0 h GLU 188 CO -0.00 0.54 -0.58 1.96 0.07 0.00 0.00 179.01 181.01 3kz0 h GLN 189 N 0.00 0.54 0.17 1.06 1.08 -0.91 0.10 115.11 117.15 3kz0 h GLN 189 Ca -0.01 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 3kz0 h GLN 189 Cb 1.01 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3kz0 h GLN 189 CO 0.07 0.96 -0.08 0.00 -0.95 0.00 0.00 178.83 178.83 3kz0 h ALA 190 N 0.96 -0.23 -0.43 3.87 0.00 -0.61 -3.33 119.26 119.49 3kz0 h ALA 190 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3kz0 h ALA 190 Cb 1.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3kz0 h ALA 190 CO 0.11 -0.29 0.00 1.79 0.00 0.00 0.00 179.25 180.86 3kz0 h THR 191 N -0.90 1.26 0.00 0.00 1.35 -1.12 -3.46 112.91 110.04 3kz0 h THR 191 Ca -0.02 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3kz0 h THR 191 Cb 0.51 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3kz0 h THR 191 CO 0.04 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 3kz0 n GLY 192 N -0.37 1.00 3.02 5.82 0.00 0.33 -5.08 105.19 109.90 3kz0 n GLY 192 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3kz0 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz0 s ALA 193 N -2.00 -0.04 0.35 4.61 0.00 -1.04 -4.98 121.76 118.66 3kz0 s ALA 193 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 3kz0 s ALA 193 Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 3kz0 s ALA 193 CO 0.00 -0.16 0.74 0.15 0.00 0.00 0.00 175.76 176.48 3kz0 s LYS 194 N -1.32 3.90 0.00 0.00 1.02 -1.26 -4.48 119.74 117.59 3kz0 s LYS 194 Ca -0.14 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3kz0 s LYS 194 Cb -0.09 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3kz0 s LYS 194 CO -0.00 0.08 0.12 -0.25 -0.92 0.00 0.00 175.35 174.39 3kz0 n ASP 195 N -0.75 0.00 0.00 2.83 8.00 -1.26 -5.15 116.55 120.23 3kz0 n ASP 195 Ca 0.03 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3kz0 n ASP 195 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3kz0 n ASP 195 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kz0 n GLY 203 N -0.16 1.34 0.28 0.44 0.00 -1.26 -5.29 105.19 100.54 3kz0 n GLY 203 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kz0 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz0 h ALA 204 N -2.00 0.86 -0.55 4.61 0.00 -2.05 -1.58 119.26 118.54 3kz0 h ALA 204 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kz0 h ALA 204 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3kz0 h ALA 204 CO 0.00 0.42 0.34 1.15 0.00 0.00 0.00 179.25 181.16 3kz0 h THR 205 N 0.92 1.07 -0.86 0.00 2.02 -1.98 -0.64 112.91 113.44 3kz0 h THR 205 Ca 0.23 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3kz0 h THR 205 Cb 0.12 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3kz0 h THR 205 CO -0.03 0.12 0.50 0.28 0.37 0.00 0.00 175.52 176.76 3kz0 h SER 206 N 0.68 1.05 -0.34 4.18 0.02 -1.88 0.70 113.55 117.96 3kz0 h SER 206 Ca 0.22 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3kz0 h SER 206 Cb 0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3kz0 h SER 206 CO -0.09 0.82 -0.28 0.03 -1.14 0.00 0.00 176.83 176.17 3kz0 h ARG 207 N 1.19 0.80 -0.34 3.45 3.08 -0.83 -1.38 114.38 120.36 3kz0 h ARG 207 Ca 0.31 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3kz0 h ARG 207 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kz0 h ARG 207 CO -0.05 1.03 -0.13 0.87 -1.07 0.00 0.00 179.97 180.61 3kz0 h LYS 208 N 0.58 0.59 -0.37 0.04 1.57 -0.77 -1.27 116.57 116.94 3kz0 h LYS 208 Ca 0.06 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3kz0 h LYS 208 Cb 0.85 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3kz0 h LYS 208 CO 0.07 0.71 -0.12 0.00 -0.57 0.00 0.00 179.45 179.55 3kz0 h ALA 209 N 1.32 0.51 -0.81 3.86 0.00 -0.74 -0.47 119.26 122.93 3kz0 h ALA 209 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3kz0 h ALA 209 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kz0 h ALA 209 CO 0.03 0.40 0.35 1.25 0.00 0.00 0.00 179.25 181.28 3kz0 h LEU 210 N 0.53 1.10 -0.39 0.00 5.85 -1.07 0.29 115.31 121.63 3kz0 h LEU 210 Ca 0.09 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3kz0 h LEU 210 Cb 0.64 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3kz0 h LEU 210 CO 0.04 0.96 0.08 -0.33 -0.34 0.00 0.00 178.44 178.85 3kz0 h GLU 211 N 1.18 0.63 -0.61 1.25 5.08 -1.10 0.33 114.58 121.34 3kz0 h GLU 211 Ca 0.27 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3kz0 h GLU 211 Cb 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3kz0 h GLU 211 CO -0.03 0.68 0.27 1.15 -1.00 0.00 0.00 179.01 180.08 3kz0 h THR 212 N 0.48 1.22 -0.61 1.13 2.02 -0.75 -1.83 112.91 114.57 3kz0 h THR 212 Ca 0.12 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3kz0 h THR 212 Cb 0.34 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3kz0 h THR 212 CO 0.00 0.26 0.22 0.25 0.37 0.00 0.00 175.52 176.62 3kz0 h LEU 213 N 0.83 0.84 -0.51 2.58 5.85 -0.20 0.51 115.31 125.22 3kz0 h LEU 213 Ca 0.21 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3kz0 h LEU 213 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3kz0 h LEU 213 CO -0.02 0.77 0.06 0.03 -0.34 0.00 0.00 178.44 178.94 3kz0 h ARG 214 N 0.89 0.85 0.19 1.25 3.08 -0.60 0.15 114.38 120.19 3kz0 h ARG 214 Ca 0.20 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3kz0 h ARG 214 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kz0 h ARG 214 CO -0.01 0.85 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.56 3kz0 h ARG 215 N 0.73 -0.25 -0.08 0.04 2.43 -0.89 -2.72 114.38 113.64 3kz0 h ARG 215 Ca 0.15 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3kz0 h ARG 215 Cb 0.43 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3kz0 h ARG 215 CO 0.01 0.16 -0.19 0.28 -1.51 0.00 0.00 179.97 178.72 3kz0 h VAL 216 N -0.81 1.41 -0.80 0.20 2.07 -0.99 -2.85 116.25 114.48 3kz0 h VAL 216 Ca -0.03 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 3kz0 h VAL 216 Cb 0.52 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 3kz0 h VAL 216 CO 0.04 0.43 0.34 1.23 0.02 0.00 0.00 177.57 179.63 3kz0 h GLY 217 N -0.22 1.28 1.22 2.17 0.00 -0.85 0.20 103.07 106.87 3kz0 h GLY 217 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 3kz0 h GLY 217 CO 0.04 0.64 -0.14 -0.55 0.00 0.00 0.00 176.54 176.53 3kz0 h ASP 218 N 1.16 0.91 -0.75 0.19 5.19 -1.58 -2.31 116.42 119.23 3kz0 h ASP 218 Ca 0.27 -0.30 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 3kz0 h ASP 218 Cb 0.19 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 3kz0 h ASP 218 CO -0.03 1.04 0.27 1.23 -3.12 0.00 0.00 179.24 178.64 3kz0 h GLY 219 N 0.95 1.23 0.99 2.75 0.00 -1.15 -1.21 103.07 106.63 3kz0 h GLY 219 Ca 0.12 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 3kz0 h GLY 219 CO 0.05 0.65 0.12 -2.08 0.00 0.00 0.00 176.54 175.28 3kz0 h VAL 220 N 1.10 1.25 -0.67 4.60 2.07 -0.88 -1.40 116.25 122.32 3kz0 h VAL 220 Ca 0.25 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3kz0 h VAL 220 Cb 0.25 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3kz0 h VAL 220 CO -0.02 0.32 0.25 1.56 0.02 0.00 0.00 177.57 179.71 3kz0 h GLN 221 N 0.74 1.00 -0.28 1.57 4.20 -1.18 -1.73 115.11 119.43 3kz0 h GLN 221 Ca 0.16 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3kz0 h GLN 221 Cb 0.35 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3kz0 h GLN 221 CO 0.00 0.85 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.88 3kz0 h ARG 222 N 0.95 0.52 -0.11 1.46 2.43 -1.13 -2.44 114.38 116.05 3kz0 h ARG 222 Ca 0.22 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3kz0 h ARG 222 Cb 0.23 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3kz0 h ARG 222 CO -0.02 0.70 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.93 3kz0 h ASN 223 N 0.28 0.20 -0.50 -3.80 -0.26 -1.17 -3.30 115.58 107.04 3kz0 h ASN 223 Ca 0.07 -0.07 -0.36 0.00 -0.56 0.00 0.00 56.30 55.38 3kz0 h ASN 223 Cb 0.50 -0.06 -0.34 0.00 -1.06 0.00 0.00 38.32 37.37 3kz0 h ASN 223 CO 0.02 0.51 -0.82 1.41 -1.06 0.00 0.00 177.43 177.49 3kz0 n HIS 224 N -4.12 1.78 -0.22 1.19 8.25 -0.66 -4.84 115.22 116.60 3kz0 n HIS 224 Ca -0.01 -1.96 -0.07 0.00 -0.26 0.00 0.00 57.72 55.42 3kz0 n HIS 224 Cb 0.40 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 31.25 3kz0 n HIS 224 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3kz0 h GLU 225 N 1.95 0.87 0.07 -0.41 4.81 -1.52 -0.35 114.58 120.00 3kz0 h GLU 225 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kz0 h GLU 225 Cb 1.41 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3kz0 h GLU 225 CO 0.47 0.68 -0.08 1.15 -0.73 0.00 0.00 179.01 180.49 3kz0 h THR 226 N 0.84 0.81 -0.51 0.32 2.02 -1.88 0.49 112.91 114.99 3kz0 h THR 226 Ca 0.21 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.36 3kz0 h THR 226 Cb 0.08 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3kz0 h THR 226 CO -0.03 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.03 3kz0 h ALA 227 N 0.74 0.67 -0.71 6.16 0.00 -1.92 0.57 119.26 124.77 3kz0 h ALA 227 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kz0 h ALA 227 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kz0 h ALA 227 CO -0.03 0.31 0.39 0.74 0.00 0.00 0.00 179.25 180.66 3kz0 h PHE 228 N 0.69 0.97 -0.38 0.00 -1.00 -0.79 0.13 116.94 116.56 3kz0 h PHE 228 Ca 0.17 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3kz0 h PHE 228 Cb 0.26 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3kz0 h PHE 228 CO 0.01 0.69 0.20 1.96 -1.61 0.00 0.00 178.31 179.56 3kz0 h GLN 229 N 0.97 0.54 -0.55 1.51 4.20 0.41 0.26 115.11 122.44 3kz0 h GLN 229 Ca 0.25 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3kz0 h GLN 229 Cb 0.04 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3kz0 h GLN 229 CO -0.04 0.46 0.28 0.78 -0.67 0.00 0.00 178.83 179.64 3kz0 h GLY 230 N 0.48 0.85 1.00 3.46 0.00 -0.52 0.48 103.07 108.82 3kz0 h GLY 230 Ca 0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3kz0 h GLY 230 CO -0.02 0.39 0.35 -0.33 0.00 0.00 0.00 176.54 176.94 3kz0 h MET 231 N 0.75 0.81 -0.44 4.80 2.86 -0.45 -0.97 114.93 122.28 3kz0 h MET 231 Ca 0.19 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3kz0 h MET 231 Cb 0.10 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kz0 h MET 231 CO -0.03 0.59 0.16 1.25 1.06 0.00 0.00 176.91 179.94 3kz0 h LEU 232 N 0.80 0.62 -0.44 1.22 5.85 -0.57 -0.47 115.31 122.33 3kz0 h LEU 232 Ca 0.21 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kz0 h LEU 232 Cb -0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3kz0 h LEU 232 CO -0.04 0.64 0.22 -0.09 -0.34 0.00 0.00 178.44 178.83 3kz0 h ARG 233 N 0.56 0.62 -0.44 1.25 2.43 -0.57 0.01 114.38 118.25 3kz0 h ARG 233 Ca 0.14 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3kz0 h ARG 233 Cb 0.23 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kz0 h ARG 233 CO -0.01 0.53 -0.12 0.87 -1.51 0.00 0.00 179.97 179.73 3kz0 h LYS 234 N 0.57 0.80 -0.46 0.20 1.57 -1.02 -2.74 116.57 115.48 3kz0 h LYS 234 Ca 0.15 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3kz0 h LYS 234 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3kz0 h LYS 234 CO -0.02 0.88 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.59 3kz0 h LEU 235 N 0.72 0.79 -2.67 2.94 3.38 -0.74 -3.48 115.31 116.25 3kz0 h LEU 235 Ca 0.12 -0.23 -0.37 0.00 0.09 0.00 0.00 57.88 57.50 3kz0 h LEU 235 Cb 0.61 -0.21 0.12 0.00 0.09 0.00 0.00 40.66 41.26 3kz0 h LEU 235 CO 0.04 0.90 -0.89 -0.67 0.09 0.00 0.00 178.44 177.91 3kz0 n ASP 236 N -4.18 -4.95 -4.64 -0.43 2.03 -0.04 -4.88 116.55 99.47 3kz0 n ASP 236 Ca 0.02 -0.87 -0.43 0.00 0.52 0.00 0.00 54.79 54.03 3kz0 n ASP 236 Cb 0.35 -4.14 -0.02 0.00 -0.72 0.00 0.00 41.12 36.58 3kz0 n ASP 236 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3kz0 s ILE 237 N -3.48 3.97 0.14 5.18 -1.09 -1.26 -4.91 121.20 119.75 3kz0 s ILE 237 Ca 0.38 1.11 -0.11 0.00 -2.23 0.00 0.00 60.65 59.80 3kz0 s ILE 237 Cb -0.10 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3kz0 s ILE 237 CO 0.81 -0.32 1.49 0.07 -1.23 0.00 0.00 174.94 175.75 3kz0 h LYS 238 N 9.62 0.92 -3.34 2.79 2.10 -1.89 -3.49 116.57 123.28 3kz0 h LYS 238 Ca -0.30 -0.46 -0.05 0.00 -2.00 0.00 0.00 60.65 57.85 3kz0 h LYS 238 Cb 1.12 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 3kz0 h LYS 238 CO 1.01 1.11 0.09 0.54 -2.00 0.00 0.00 179.45 180.20 3kz0 s ASN 239 N -6.76 0.06 0.34 7.07 4.22 -1.26 -5.04 114.94 113.57 3kz0 s ASN 239 Ca -0.11 -1.00 0.02 0.00 -2.14 0.00 0.00 52.86 49.63 3kz0 s ASN 239 Cb 0.11 0.72 0.59 0.00 1.28 0.00 0.00 41.25 43.96 3kz0 s ASN 239 CO 0.87 -1.40 1.96 1.05 -2.04 0.00 0.00 177.10 177.54 3kz0 h GLU 240 N 2.08 0.78 -0.00 3.55 -0.00 -1.94 -1.82 114.58 117.22 3kz0 h GLU 240 Ca -0.26 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 3kz0 h GLU 240 Cb 1.25 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 3kz0 h GLU 240 CO 0.34 0.58 -0.11 -0.25 -0.00 0.00 0.00 179.01 179.58 3kz0 n ASP 241 N -4.38 0.40 -4.02 3.06 8.00 -1.26 -4.43 116.55 113.92 3kz0 n ASP 241 Ca 0.05 -0.47 -0.43 0.00 0.71 0.00 0.00 54.79 54.65 3kz0 n ASP 241 Cb 0.11 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3kz0 n ASP 241 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kz0 n ASP 242 N -1.04 4.78 -0.25 -2.24 2.03 -0.69 -4.54 116.55 114.60 3kz0 n ASP 242 Ca 0.14 -3.00 0.03 0.00 0.52 0.00 0.00 54.79 52.48 3kz0 n ASP 242 Cb 0.28 -1.57 0.03 0.00 -0.72 0.00 0.00 41.12 39.14 3kz0 n ASP 242 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3kz0 n VAL 243 N 4.37 0.13 -0.20 5.18 0.24 -1.26 -4.71 118.33 122.07 3kz0 n VAL 243 Ca 0.43 -0.57 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 3kz0 n VAL 243 Cb 0.39 1.04 0.08 0.00 -1.47 0.00 0.00 33.84 33.88 3kz0 n VAL 243 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3kz0 h LYS 244 N 1.13 1.03 -0.65 7.34 1.57 -1.98 -0.68 116.57 124.33 3kz0 h LYS 244 Ca 0.00 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 3kz0 h LYS 244 Cb 0.29 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3kz0 h LYS 244 CO 0.00 0.95 0.10 0.66 -0.57 0.00 0.00 179.45 180.59 3kz0 h SER 245 N 0.97 1.04 -0.65 0.86 4.64 -1.98 -2.36 113.55 116.06 3kz0 h SER 245 Ca 0.19 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3kz0 h SER 245 Cb 0.42 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3kz0 h SER 245 CO 0.01 1.03 0.19 -0.07 -0.87 0.00 0.00 176.83 177.12 3kz0 h LEU 246 N 1.01 0.98 -0.71 5.97 3.38 -1.73 -1.55 115.31 122.67 3kz0 h LEU 246 Ca 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kz0 h LEU 246 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kz0 h LEU 246 CO 0.01 0.93 0.26 0.28 0.09 0.00 0.00 178.44 180.01 3kz0 h SER 247 N 1.00 1.00 -0.65 -0.43 0.02 -0.98 -1.46 113.55 112.07 3kz0 h SER 247 Ca 0.22 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3kz0 h SER 247 Cb 0.32 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3kz0 h SER 247 CO -0.00 0.92 0.19 0.03 -1.14 0.00 0.00 176.83 176.83 3kz0 h ARG 248 N 1.03 1.04 -0.56 3.45 3.08 -1.06 -1.48 114.38 119.87 3kz0 h ARG 248 Ca 0.23 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3kz0 h ARG 248 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3kz0 h ARG 248 CO -0.01 0.90 0.13 0.28 -1.07 0.00 0.00 179.97 180.19 3kz0 h VAL 249 N 0.99 1.25 -0.53 2.04 2.07 -0.94 -1.36 116.25 119.78 3kz0 h VAL 249 Ca 0.22 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 3kz0 h VAL 249 Cb 0.31 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kz0 h VAL 249 CO -0.00 0.33 -0.12 0.24 0.02 0.00 0.00 177.57 178.04 3kz0 h MET 250 N 0.81 1.01 -0.50 1.57 2.86 -1.06 -1.42 114.93 118.20 3kz0 h MET 250 Ca 0.17 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3kz0 h MET 250 Cb 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3kz0 h MET 250 CO 0.00 1.07 0.24 0.82 1.06 0.00 0.00 176.91 180.10 3kz0 h ILE 251 N 0.88 1.19 -0.22 -1.22 1.08 -1.23 -3.02 117.51 114.98 3kz0 h ILE 251 Ca 0.14 -0.53 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3kz0 h ILE 251 Cb 0.68 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 3kz0 h ILE 251 CO 0.05 0.21 -0.28 -0.74 -0.69 0.00 0.00 178.15 176.70 3kz0 h HIS 252 N 0.66 0.48 -0.86 1.37 2.76 -1.08 -2.77 115.15 115.72 3kz0 h HIS 252 Ca 0.17 -0.11 0.16 0.00 -2.20 0.00 0.00 60.37 58.40 3kz0 h HIS 252 Cb 0.11 -0.12 -0.10 0.00 1.55 0.00 0.00 27.41 28.85 3kz0 h HIS 252 CO -0.01 0.67 0.43 0.28 -1.30 0.00 0.00 177.93 178.01 3kz0 h VAL 253 N 0.38 0.68 -0.15 5.26 2.07 -1.12 -0.18 116.25 123.19 3kz0 h VAL 253 Ca 0.05 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kz0 h VAL 253 Cb 0.69 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3kz0 h VAL 253 CO 0.05 0.11 0.00 0.49 0.02 0.00 0.00 177.57 178.24 3kz0 n PHE 254 N -4.90 0.18 0.28 1.57 3.72 -1.06 -4.30 117.46 112.95 3kz0 n PHE 254 Ca 0.18 -0.09 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 3kz0 n PHE 254 Cb 0.48 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.60 3kz0 n PHE 254 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kz0 h SER 255 N 2.75 0.00 0.30 4.37 4.64 -0.79 -0.69 113.55 124.13 3kz0 h SER 255 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kz0 h SER 255 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3kz0 h SER 255 CO 0.00 0.00 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.01 3kz0 n ASP 256 N -2.34 0.32 0.00 4.97 5.75 -1.26 -4.91 116.55 119.08 3kz0 n ASP 256 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3kz0 n ASP 256 Cb 0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3kz0 n ASP 256 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kz0 n GLY 257 N 1.21 0.69 3.69 6.12 0.00 -0.26 -5.04 105.19 111.60 3kz0 n GLY 257 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kz0 n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kz0 s VAL 258 N -2.30 5.25 -0.07 1.61 1.01 -1.26 -5.08 120.40 119.56 3kz0 s VAL 258 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3kz0 s VAL 258 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 33.00 3kz0 s VAL 258 CO 0.00 0.42 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 3kz0 s THR 259 N 0.53 0.89 0.17 3.92 2.01 -1.26 -4.72 115.64 117.19 3kz0 s THR 259 Ca 0.07 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 3kz0 s THR 259 Cb -0.12 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.56 3kz0 s THR 259 CO -0.00 0.31 0.50 0.54 -0.69 0.00 0.00 174.62 175.28 3kz0 s ASN 260 N 0.97 -0.29 0.31 3.53 2.20 -1.26 -5.05 114.94 115.34 3kz0 s ASN 260 Ca -0.10 -0.38 0.02 0.00 -0.94 0.00 0.00 52.86 51.46 3kz0 s ASN 260 Cb -0.15 0.56 0.52 0.00 -2.00 0.00 0.00 41.25 40.18 3kz0 s ASN 260 CO 0.00 -1.00 1.87 -0.50 -2.94 0.00 0.00 177.10 174.54 3kz0 h TRP 261 N 2.21 0.71 -0.43 1.54 -0.00 -2.00 -2.78 115.95 115.20 3kz0 h TRP 261 Ca -0.31 -0.06 0.07 0.00 -0.00 0.00 0.00 58.89 58.60 3kz0 h TRP 261 Cb 1.27 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.16 30.15 3kz0 h TRP 261 CO 0.33 0.61 0.05 0.78 -0.00 0.00 0.00 178.44 180.21 3kz0 h GLY 262 N 0.89 0.48 1.10 1.49 0.00 -1.99 0.76 103.07 105.79 3kz0 h GLY 262 Ca 0.15 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 3kz0 h GLY 262 CO -0.00 -0.07 -0.09 3.21 0.00 0.00 0.00 176.54 179.58 3kz0 h ARG 263 N 0.17 1.05 -0.24 4.80 3.08 -1.95 -2.17 114.38 119.12 3kz0 h ARG 263 Ca 0.21 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kz0 h ARG 263 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kz0 h ARG 263 CO -0.31 1.08 0.14 0.82 -1.07 0.00 0.00 179.97 180.63 3kz0 h ILE 264 N 0.93 1.10 -0.02 2.04 2.04 -1.11 -0.56 117.51 121.93 3kz0 h ILE 264 Ca 0.15 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 3kz0 h ILE 264 Cb 0.67 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kz0 h ILE 264 CO 0.05 0.09 -0.47 1.62 0.00 0.00 0.00 178.15 179.44 3kz0 h VAL 265 N 0.29 1.34 -0.24 1.67 3.04 -0.84 -2.15 116.25 119.36 3kz0 h VAL 265 Ca 0.08 -1.62 -0.17 0.00 -1.01 0.00 0.00 66.70 63.98 3kz0 h VAL 265 Cb 0.03 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3kz0 h VAL 265 CO -0.02 0.47 -0.55 0.74 -1.01 0.00 0.00 177.57 177.20 3kz0 h THR 266 N 0.04 1.30 -0.16 3.17 2.02 -1.12 0.35 112.91 118.50 3kz0 h THR 266 Ca -0.00 -1.77 0.01 0.00 0.77 0.00 0.00 66.41 65.42 3kz0 h THR 266 Cb 0.85 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 3kz0 h THR 266 CO 0.06 0.56 0.06 -0.07 0.37 0.00 0.00 175.52 176.51 3kz0 h LEU 267 N 0.55 0.08 -0.85 2.58 3.38 -0.88 -0.81 115.31 119.36 3kz0 h LEU 267 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3kz0 h LEU 267 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3kz0 h LEU 267 CO 0.11 0.07 0.01 0.40 0.09 0.00 0.00 178.44 179.12 3kz0 h ILE 268 N 0.14 1.25 -0.45 1.22 2.04 -1.26 -0.56 117.51 119.89 3kz0 h ILE 268 Ca 0.07 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3kz0 h ILE 268 Cb 0.03 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3kz0 h ILE 268 CO -0.06 0.37 0.28 0.28 0.00 0.00 0.00 178.15 179.02 3kz0 h SER 269 N 0.81 0.53 0.05 1.72 0.02 -0.67 -1.33 113.55 114.68 3kz0 h SER 269 Ca 0.15 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3kz0 h SER 269 Cb 0.47 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3kz0 h SER 269 CO 0.02 0.41 -0.23 0.15 -1.14 0.00 0.00 176.83 176.03 3kz0 h PHE 270 N 0.60 0.34 -0.82 3.45 3.57 -0.83 -1.39 116.94 121.86 3kz0 h PHE 270 Ca 0.16 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kz0 h PHE 270 Cb -0.04 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3kz0 h PHE 270 CO -0.04 0.53 0.51 0.78 -2.23 0.00 0.00 178.31 177.87 3kz0 h GLY 271 N 0.96 1.17 1.39 2.40 0.00 -0.39 -0.51 103.07 108.09 3kz0 h GLY 271 Ca 0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 3kz0 h GLY 271 CO 0.04 0.45 -0.67 0.00 0.00 0.00 0.00 176.54 176.36 3kz0 h ALA 272 N 1.44 0.52 -0.71 3.60 0.00 -0.65 -1.22 119.26 122.25 3kz0 h ALA 272 Ca 0.30 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kz0 h ALA 272 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kz0 h ALA 272 CO -0.06 0.71 0.45 0.35 0.00 0.00 0.00 179.25 180.70 3kz0 h PHE 273 N 0.44 0.91 -0.40 0.00 3.57 -0.83 -1.24 116.94 119.40 3kz0 h PHE 273 Ca -0.02 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 3kz0 h PHE 273 Cb 1.26 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3kz0 h PHE 273 CO 0.06 0.60 -0.23 0.28 -2.23 0.00 0.00 178.31 176.79 3kz0 h VAL 274 N 0.96 1.27 -0.44 1.41 2.07 -1.02 -2.88 116.25 117.62 3kz0 h VAL 274 Ca 0.26 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 3kz0 h VAL 274 Cb -0.07 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3kz0 h VAL 274 CO -0.05 0.45 0.16 0.00 0.02 0.00 0.00 177.57 178.15 3kz0 h ALA 275 N 1.05 1.45 -0.17 1.67 0.00 -0.60 -1.56 119.26 121.09 3kz0 h ALA 275 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kz0 h ALA 275 Cb 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kz0 h ALA 275 CO 0.06 0.42 0.01 0.87 0.00 0.00 0.00 179.25 180.61 3kz0 h LYS 276 N 0.63 0.30 -0.84 0.00 1.57 -1.09 -3.01 116.57 114.14 3kz0 h LYS 276 Ca 0.15 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3kz0 h LYS 276 Cb 0.16 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3kz0 h LYS 276 CO -0.01 0.50 0.39 1.25 -0.57 0.00 0.00 179.45 181.01 3kz0 h HIS 277 N 0.06 1.23 -0.97 -1.35 2.76 -1.23 -0.85 115.15 114.79 3kz0 h HIS 277 Ca 0.05 -0.06 0.11 0.00 -2.20 0.00 0.00 60.37 58.26 3kz0 h HIS 277 Cb 0.36 -0.38 -0.08 0.00 1.55 0.00 0.00 27.41 28.86 3kz0 h HIS 277 CO 0.03 0.89 0.61 -0.07 -1.30 0.00 0.00 177.93 178.09 3kz0 h LEU 278 N 1.21 0.90 -1.08 0.26 3.38 -1.29 0.24 115.31 118.93 3kz0 h LEU 278 Ca 0.29 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3kz0 h LEU 278 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kz0 h LEU 278 CO -0.03 0.50 0.12 0.11 0.09 0.00 0.00 178.44 179.23 3kz0 h LYS 279 N 0.99 0.78 -0.43 1.13 1.79 -1.05 0.19 116.57 119.96 3kz0 h LYS 279 Ca 0.47 -0.15 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 3kz0 h LYS 279 Cb 0.42 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 3kz0 h LYS 279 CO -0.25 0.70 0.21 1.15 -1.08 0.00 0.00 179.45 180.19 3kz0 h THR 280 N 0.75 0.96 -0.41 -0.16 2.02 0.36 -2.96 112.91 113.46 3kz0 h THR 280 Ca 0.17 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 3kz0 h THR 280 Cb 0.28 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3kz0 h THR 280 CO -0.00 0.08 -0.19 0.40 0.37 0.00 0.00 175.52 176.17 3kz0 h ILE 281 N 0.42 1.28 -2.86 3.11 1.08 0.00 -3.45 117.51 117.10 3kz0 h ILE 281 Ca 0.19 -1.33 -0.12 0.00 -0.39 0.00 0.00 64.86 63.21 3kz0 h ILE 281 Cb 0.11 1.25 -0.22 0.00 -3.07 0.00 0.00 36.82 34.89 3kz0 h ILE 281 CO -0.14 0.45 -0.23 0.20 -0.69 0.00 0.00 178.15 177.74 3kz0 s ASN 282 N -6.57 -0.31 0.27 1.72 -0.87 0.58 -5.06 114.94 104.70 3kz0 s ASN 282 Ca -0.12 0.40 0.06 0.00 -1.57 0.00 0.00 52.86 51.63 3kz0 s ASN 282 Cb 0.11 0.51 0.36 0.00 -0.02 0.00 0.00 41.25 42.21 3kz0 s ASN 282 CO 0.84 -0.34 1.63 1.56 -2.57 0.00 0.00 177.10 178.22 3kz0 h GLN 283 N 4.41 0.22 -0.69 -0.60 1.08 -1.82 -3.29 115.11 114.41 3kz0 h GLN 283 Ca -0.28 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3kz0 h GLN 283 Cb 1.18 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3kz0 h GLN 283 CO 0.35 0.68 0.00 -0.85 -0.95 0.00 0.00 178.83 178.06 3kz0 n GLU 284 N -3.94 3.38 -1.99 1.46 0.00 -1.26 -4.95 120.64 113.34 3kz0 n GLU 284 Ca -0.02 -2.79 -0.42 0.00 0.00 0.00 0.00 57.16 53.94 3kz0 n GLU 284 Cb 0.55 -1.79 -0.03 0.00 0.00 0.00 0.00 31.44 30.18 3kz0 n GLU 284 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3kz0 s SER 285 N -0.93 6.64 -0.25 -1.84 0.01 -1.26 -4.97 113.70 111.11 3kz0 s SER 285 Ca 0.51 2.63 -0.29 0.00 1.31 0.00 0.00 55.95 60.10 3kz0 s SER 285 Cb 0.30 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3kz0 s SER 285 CO 0.28 -0.74 1.19 0.00 0.41 0.00 0.00 173.24 174.38 3kz0 n ILE 287 N 5.69 0.00 0.16 0.00 -6.64 -1.26 -4.09 119.36 113.22 3kz0 n ILE 287 Ca 0.13 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.97 3kz0 n ILE 287 Cb 0.46 -0.54 -0.07 0.00 -1.44 0.00 0.00 39.64 38.05 3kz0 n ILE 287 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3kz0 h GLU 288 N 0.00 -0.33 -0.98 6.28 5.08 -1.96 -1.74 114.58 120.93 3kz0 h GLU 288 Ca 0.00 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3kz0 h GLU 288 Cb 0.00 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 3kz0 h GLU 288 CO 0.00 -0.22 0.60 -1.35 -1.00 0.00 0.00 179.01 177.04 3kz0 h PRO 289 N -0.35 0.87 -0.39 2.33 0.11 -1.86 0.25 132.00 132.96 3kz0 h PRO 289 Ca -0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3kz0 h PRO 289 Cb 0.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3kz0 h PRO 289 CO 0.03 0.58 0.06 1.25 -0.21 0.00 0.00 178.00 179.71 3kz0 h LEU 290 N 0.90 0.62 -0.44 2.35 5.85 -1.72 -1.19 115.31 121.68 3kz0 h LEU 290 Ca 0.51 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3kz0 h LEU 290 Cb 0.60 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3kz0 h LEU 290 CO -0.30 0.73 0.02 0.00 -0.34 0.00 0.00 178.44 178.54 3kz0 h ALA 291 N 0.92 0.59 -0.19 1.25 0.00 -0.20 -2.31 119.26 119.31 3kz0 h ALA 291 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3kz0 h ALA 291 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kz0 h ALA 291 CO 0.01 0.37 -0.35 0.93 0.00 0.00 0.00 179.25 180.21 3kz0 h GLU 292 N 0.61 0.40 -0.35 0.00 5.08 -0.55 -1.01 114.58 118.76 3kz0 h GLU 292 Ca 0.13 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kz0 h GLU 292 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kz0 h GLU 292 CO 0.02 0.70 0.21 1.03 -1.00 0.00 0.00 179.01 179.98 3kz0 h SER 293 N 0.35 0.42 -0.40 1.42 0.87 -0.99 -0.50 113.55 114.71 3kz0 h SER 293 Ca 0.04 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 3kz0 h SER 293 Cb 0.78 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3kz0 h SER 293 CO 0.06 0.34 -0.08 0.40 -0.53 0.00 0.00 176.83 177.03 3kz0 h ILE 294 N 0.46 1.27 -0.60 2.23 2.04 -1.19 -3.09 117.51 118.63 3kz0 h ILE 294 Ca 0.13 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3kz0 h ILE 294 Cb -0.00 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3kz0 h ILE 294 CO -0.02 0.39 0.07 0.74 0.00 0.00 0.00 178.15 179.33 3kz0 h THR 295 N 0.57 1.26 -0.37 -0.27 2.02 -0.98 -2.38 112.91 112.76 3kz0 h THR 295 Ca 0.10 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3kz0 h THR 295 Cb 0.59 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3kz0 h THR 295 CO 0.04 0.38 0.20 0.44 0.37 0.00 0.00 175.52 176.95 3kz0 h ASP 296 N 0.93 0.46 0.19 4.18 5.19 -1.07 0.11 116.42 126.40 3kz0 h ASP 296 Ca 0.18 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 3kz0 h ASP 296 Cb 0.44 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3kz0 h ASP 296 CO 0.01 0.41 -0.09 0.58 -3.12 0.00 0.00 179.24 177.03 3kz0 h VAL 297 N 0.47 0.84 0.51 -1.35 2.07 -1.44 0.12 116.25 117.47 3kz0 h VAL 297 Ca 0.13 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3kz0 h VAL 297 Cb 0.05 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kz0 h VAL 297 CO -0.02 0.03 -0.35 -0.07 0.02 0.00 0.00 177.57 177.17 3kz0 h LEU 298 N -0.31 -0.90 -0.22 2.57 3.38 -1.27 -1.39 115.31 117.18 3kz0 h LEU 298 Ca -0.03 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3kz0 h LEU 298 Cb 0.24 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kz0 h LEU 298 CO 0.04 -0.53 -0.37 0.58 0.09 0.00 0.00 178.44 178.25 3kz0 h VAL 299 N -0.83 1.32 -0.00 1.22 2.07 -0.81 -1.18 116.25 118.04 3kz0 h VAL 299 Ca -0.06 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 3kz0 h VAL 299 Cb 0.69 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3kz0 h VAL 299 CO 0.03 0.50 -0.00 0.03 0.02 0.00 0.00 177.57 178.15 3kz0 h ARG 300 N 0.33 0.00 0.00 1.57 3.08 -0.81 -2.60 114.38 115.95 3kz0 h ARG 300 Ca 0.01 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3kz0 h ARG 300 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3kz0 h ARG 300 CO 0.08 0.49 -0.72 1.79 -1.07 0.00 0.00 179.97 180.54 3kz0 h THR 301 N -0.48 0.24 0.00 2.04 1.35 -1.34 -3.36 112.91 111.35 3kz0 h THR 301 Ca 0.00 -1.39 -0.03 0.00 -0.55 0.00 0.00 66.41 64.45 3kz0 h THR 301 Cb 0.49 1.89 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 3kz0 h THR 301 CO 0.00 0.13 -0.39 0.29 -0.25 0.00 0.00 175.52 175.30 3kz0 n LYS 302 N -2.92 1.02 -0.04 4.72 4.76 -0.45 -4.88 118.16 120.38 3kz0 n LYS 302 Ca -0.00 -2.52 -0.08 0.00 -2.87 0.00 0.00 58.31 52.84 3kz0 n LYS 302 Cb 0.63 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.62 3kz0 n LYS 302 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kz0 h ARG 303 N 0.48 -0.15 0.00 1.97 2.43 -1.53 0.34 114.38 117.94 3kz0 h ARG 303 Ca -0.03 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3kz0 h ARG 303 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3kz0 h ARG 303 CO 0.01 -0.10 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.67 3kz0 h ASP 304 N -0.15 0.00 -0.20 -3.80 3.32 -1.89 -1.46 116.42 112.24 3kz0 h ASP 304 Ca 0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3kz0 h ASP 304 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3kz0 h ASP 304 CO -0.30 0.27 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.05 3kz0 h TRP 305 N 0.00 0.56 -0.50 4.55 7.01 -1.70 -2.37 115.95 123.49 3kz0 h TRP 305 Ca -0.00 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.83 3kz0 h TRP 305 Cb 0.71 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 3kz0 h TRP 305 CO 0.00 0.82 0.32 -0.07 -2.79 0.00 0.00 178.44 176.72 3kz0 h LEU 306 N 0.14 0.59 -0.60 0.65 3.38 -0.56 -0.91 115.31 118.00 3kz0 h LEU 306 Ca 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kz0 h LEU 306 Cb 0.72 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3kz0 h LEU 306 CO 0.05 0.44 0.18 0.58 0.09 0.00 0.00 178.44 179.78 3kz0 h VAL 307 N 0.68 1.24 -0.16 1.22 2.07 -1.32 0.43 116.25 120.41 3kz0 h VAL 307 Ca 0.18 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3kz0 h VAL 307 Cb -0.06 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3kz0 h VAL 307 CO -0.04 0.32 -0.16 0.50 0.02 0.00 0.00 177.57 178.22 3kz0 h LYS 308 N 0.86 0.27 -0.06 1.57 3.11 -1.15 -1.96 116.57 119.21 3kz0 h LYS 308 Ca 0.19 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 3kz0 h LYS 308 Cb 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 3kz0 h LYS 308 CO -0.00 0.43 0.00 1.04 -2.81 0.00 0.00 179.45 178.10 3kz0 n GLN 309 N -4.24 1.19 -1.97 1.90 1.13 -0.37 -4.87 117.38 110.15 3kz0 n GLN 309 Ca -0.01 -0.29 -0.07 0.00 -1.94 0.00 0.00 57.00 54.69 3kz0 n GLN 309 Cb 0.29 -1.22 -0.01 0.00 0.11 0.00 0.00 30.24 29.41 3kz0 n GLN 309 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kz0 n ARG 310 N -0.41 -0.55 0.00 -1.09 3.00 -0.74 -3.64 116.66 113.24 3kz0 n ARG 310 Ca 0.10 0.41 0.00 0.00 -0.01 0.00 0.00 57.85 58.35 3kz0 n ARG 310 Cb 0.11 -4.28 0.00 0.00 0.00 0.00 0.00 32.46 28.29 3kz0 n ARG 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kz0 n GLY 311 N -1.20 2.88 0.22 -0.13 0.00 0.15 -1.43 105.19 105.68 3kz0 n GLY 311 Ca -0.08 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.87 3kz0 n GLY 311 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kz0 h TRP 312 N 0.00 0.00 -0.38 1.61 4.06 -1.90 -1.92 115.95 117.42 3kz0 h TRP 312 Ca 0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 3kz0 h TRP 312 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3kz0 h TRP 312 CO 0.00 0.00 -0.32 -0.44 -3.56 0.00 0.00 178.44 174.12 3kz0 h ASP 313 N 0.00 0.89 -0.48 -3.49 3.32 -1.78 -1.60 116.42 113.28 3kz0 h ASP 313 Ca 0.00 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 3kz0 h ASP 313 Cb 0.74 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kz0 h ASP 313 CO 0.00 1.13 -0.07 1.23 -1.72 0.00 0.00 179.24 179.81 3kz0 h GLY 314 N 0.89 1.02 0.84 2.75 0.00 -0.73 -1.79 103.07 106.07 3kz0 h GLY 314 Ca 0.07 -0.78 0.02 0.00 0.00 0.00 0.00 47.33 46.64 3kz0 h GLY 314 CO 0.08 0.72 0.04 -2.75 0.00 0.00 0.00 176.54 174.62 3kz0 h PHE 315 N 0.85 0.07 -0.52 5.60 3.57 -1.24 -0.97 116.94 124.29 3kz0 h PHE 315 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3kz0 h PHE 315 Cb 0.61 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3kz0 h PHE 315 CO 0.04 0.03 0.25 0.28 -2.23 0.00 0.00 178.31 176.67 3kz0 h VAL 316 N 0.11 1.20 -0.71 1.41 2.07 -1.17 -2.87 116.25 116.28 3kz0 h VAL 316 Ca 0.07 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3kz0 h VAL 316 Cb 0.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3kz0 h VAL 316 CO -0.09 0.23 0.24 -0.08 0.02 0.00 0.00 177.57 177.89 3kz0 h GLU 317 N 0.70 1.09 -0.75 1.57 4.22 -1.18 -2.61 114.58 117.62 3kz0 h GLU 317 Ca 0.18 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 59.36 3kz0 h GLU 317 Cb 0.13 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3kz0 h GLU 317 CO -0.02 0.93 0.32 0.35 -2.18 0.00 0.00 179.01 178.41 3kz0 h PHE 318 N 1.04 1.11 -0.51 0.92 3.57 -0.97 -2.54 116.94 119.56 3kz0 h PHE 318 Ca 0.23 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3kz0 h PHE 318 Cb 0.28 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kz0 h PHE 318 CO 0.02 0.84 0.00 1.19 -2.23 0.00 0.00 178.31 178.13 3kz0 n PHE 319 N -4.36 0.88 -1.50 0.41 3.72 -1.10 -4.97 117.46 110.54 3kz0 n PHE 319 Ca 0.06 -0.39 -0.35 0.00 -0.05 0.00 0.00 57.45 56.72 3kz0 n PHE 319 Cb 0.16 -0.08 0.09 0.00 -0.94 0.00 0.00 39.48 38.71 3kz0 n PHE 319 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 3kz0 s HIS 320 N -1.48 1.99 0.00 1.38 -3.43 -0.96 -5.03 115.29 107.76 3kz0 s HIS 320 Ca 0.37 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.19 3kz0 s HIS 320 Cb 0.21 -3.58 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 3kz0 s HIS 320 CO 0.22 -2.83 0.39 1.33 -2.00 0.00 0.00 174.74 171.85