#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fyl n PRO 195 N 0.00 0.52 -0.37 5.56 -0.02 -1.26 -4.69 135.00 134.74 1fyl n PRO 195 Ca 0.00 0.19 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1fyl n PRO 195 Cb 0.00 -1.52 0.18 0.00 -0.02 0.00 0.00 33.50 32.14 1fyl n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fyl h ALA 196 N 0.60 1.41 -0.32 3.55 0.00 -2.05 -1.51 119.26 120.94 1fyl h ALA 196 Ca -0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1fyl h ALA 196 Cb 1.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1fyl h ALA 196 CO 0.50 0.44 0.13 0.35 0.00 0.00 0.00 179.25 180.66 1fyl h PHE 197 N 1.18 0.48 -0.44 0.00 3.57 -1.99 0.97 116.94 120.70 1fyl h PHE 197 Ca 0.44 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.94 1fyl h PHE 197 Cb 0.18 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1fyl h PHE 197 CO -0.00 0.46 0.20 0.28 -2.23 0.00 0.00 178.31 177.02 1fyl h VAL 198 N 0.36 0.93 0.16 1.41 2.07 -1.76 -0.00 116.25 119.42 1fyl h VAL 198 Ca 0.11 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1fyl h VAL 198 Cb 0.18 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1fyl h VAL 198 CO -0.01 0.07 -0.17 0.78 0.02 0.00 0.00 177.57 178.27 1fyl h ASN 199 N 0.40 -0.44 -0.11 0.57 2.35 -0.98 -1.62 115.58 115.75 1fyl h ASN 199 Ca 0.19 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1fyl h ASN 199 Cb 0.13 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1fyl h ASN 199 CO -0.16 -0.25 -0.09 0.11 -1.65 0.00 0.00 177.43 175.39 1fyl h LYS 200 N -0.36 -0.11 -0.26 0.81 1.57 -0.41 -0.70 116.57 117.11 1fyl h LYS 200 Ca 0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1fyl h LYS 200 Cb 0.35 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1fyl h LYS 200 CO -0.05 -0.07 0.06 1.25 -0.57 0.00 0.00 179.45 180.07 1fyl h LEU 201 N -0.11 0.02 -0.06 2.94 5.85 -0.94 -2.61 115.31 120.40 1fyl h LEU 201 Ca 0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1fyl h LEU 201 Cb 0.22 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1fyl h LEU 201 CO -0.18 0.05 -0.29 -0.25 -0.34 0.00 0.00 178.44 177.43 1fyl h TRP 202 N 0.16 -0.79 0.00 1.25 2.91 -0.96 -0.97 115.95 117.55 1fyl h TRP 202 Ca 0.12 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1fyl h TRP 202 Cb 0.12 0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1fyl h TRP 202 CO -0.16 -0.38 0.00 -1.13 -1.03 0.00 0.00 178.44 175.74 1fyl n SER 203 N -5.40 0.30 0.00 2.65 3.41 -0.30 -2.07 113.62 112.21 1fyl n SER 203 Ca -0.04 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1fyl n SER 203 Cb 0.31 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1fyl n SER 203 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1fyl n VAL 205 N 0.70 0.00 -0.02 -3.33 3.14 -0.37 -0.34 118.33 118.11 1fyl n VAL 205 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1fyl n VAL 205 Cb 0.05 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.69 1fyl n VAL 205 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1fyl n ASN 206 N 0.00 1.09 -4.60 6.55 3.02 -0.88 -4.40 115.26 116.04 1fyl n ASN 206 Ca 0.00 0.33 -0.44 0.00 -0.03 0.00 0.00 54.58 54.45 1fyl n ASN 206 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1fyl n ASN 206 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fyl n ASP 207 N -3.12 3.30 -0.48 6.41 -0.08 0.54 -4.87 116.55 118.25 1fyl n ASP 207 Ca -0.22 0.32 0.40 0.00 -1.51 0.00 0.00 54.79 53.78 1fyl n ASP 207 Cb 1.06 -1.53 0.70 0.00 2.34 0.00 0.00 41.12 43.69 1fyl n ASP 207 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1fyl h LYS 208 N 14.18 0.07 0.00 -0.67 3.64 -1.90 0.38 116.57 132.27 1fyl h LYS 208 Ca -0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1fyl h LYS 208 Cb 1.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1fyl h LYS 208 CO 0.96 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 1fyl h SER 209 N 0.08 0.00 -0.02 4.20 4.64 -1.98 -2.79 113.55 117.68 1fyl h SER 209 Ca 0.80 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 1fyl h SER 209 Cb 2.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.84 1fyl h SER 209 CO -0.26 0.00 -0.28 0.59 -0.87 0.00 0.00 176.83 176.00 1fyl n ASN 210 N -2.32 2.19 -0.45 4.97 3.02 0.12 -4.75 115.26 118.06 1fyl n ASN 210 Ca 0.01 -1.60 0.40 0.00 -0.03 0.00 0.00 54.58 53.36 1fyl n ASN 210 Cb 0.17 0.32 0.75 0.00 -0.61 0.00 0.00 39.78 40.41 1fyl n ASN 210 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1fyl h GLU 211 N 2.88 0.03 -0.00 3.52 4.11 -1.60 0.25 114.58 123.78 1fyl h GLU 211 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fyl h GLU 211 Cb 0.75 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1fyl h GLU 211 CO 0.00 0.02 -0.22 1.63 0.07 0.00 0.00 179.01 180.51 1fyl n LYS 212 N -4.18 0.28 -0.05 1.06 4.76 -1.26 -4.16 118.16 114.61 1fyl n LYS 212 Ca 0.32 -0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.59 1fyl n LYS 212 Cb 1.47 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 33.10 1fyl n LYS 212 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1fyl n PHE 213 N -1.26 0.00 -3.67 2.13 3.72 0.76 -4.71 117.46 114.43 1fyl n PHE 213 Ca 0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 1fyl n PHE 213 Cb 0.32 -0.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.35 1fyl n PHE 213 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1fyl s ILE 214 N -2.21 -0.01 0.14 4.37 2.07 -0.40 -3.90 121.20 121.26 1fyl s ILE 214 Ca -0.10 0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 58.94 1fyl s ILE 214 Cb 0.03 -0.79 0.07 0.00 0.13 0.00 0.00 42.46 41.90 1fyl s ILE 214 CO 0.29 0.02 0.82 -1.38 -1.91 0.00 0.00 174.94 172.78 1fyl s HIS 215 N 1.39 -0.29 0.53 3.50 -3.43 -0.69 -3.92 115.29 112.38 1fyl s HIS 215 Ca -0.09 0.02 -0.19 0.00 -0.80 0.00 0.00 55.06 54.00 1fyl s HIS 215 Cb -0.07 0.61 -0.07 0.00 -1.43 0.00 0.00 32.58 31.63 1fyl s HIS 215 CO -0.14 -0.84 1.05 -1.58 -2.00 0.00 0.00 174.74 171.23 1fyl s TRP 216 N -3.46 2.97 0.87 0.38 0.52 -1.26 -0.06 118.94 118.90 1fyl s TRP 216 Ca 0.08 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.63 1fyl s TRP 216 Cb -0.02 -3.06 0.11 0.00 -1.15 0.00 0.00 33.47 29.35 1fyl s TRP 216 CO -0.03 -0.99 1.10 -1.54 0.02 0.00 0.00 176.95 175.51 1fyl s SER 217 N -2.25 3.76 0.63 2.95 1.04 -0.06 -4.79 113.70 114.98 1fyl s SER 217 Ca 0.66 1.30 0.42 0.00 0.48 0.00 0.00 55.95 58.81 1fyl s SER 217 Cb -0.17 -1.98 2.26 0.00 0.10 0.00 0.00 66.02 66.23 1fyl s SER 217 CO 0.26 -2.43 2.27 0.71 0.98 0.00 0.00 173.24 175.04 1fyl h THR 218 N -1.41 0.00 0.00 2.02 1.35 -1.96 -0.90 112.91 112.01 1fyl h THR 218 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1fyl h THR 218 Cb 1.29 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1fyl h THR 218 CO 0.58 0.00 -1.17 -1.54 -0.25 0.00 0.00 175.52 173.13 1fyl n SER 219 N -2.97 0.59 0.00 5.36 3.41 -1.26 -4.96 113.62 113.79 1fyl n SER 219 Ca -0.03 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1fyl n SER 219 Cb 0.08 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1fyl n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fyl n GLY 220 N 1.38 1.03 0.23 5.00 0.00 -0.34 -4.89 105.19 107.59 1fyl n GLY 220 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1fyl n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fyl h GLU 221 N 3.03 0.00 -3.92 1.61 5.08 -1.93 -3.46 114.58 114.99 1fyl h GLU 221 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1fyl h GLU 221 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1fyl h GLU 221 CO 0.00 0.11 -0.42 -1.54 -1.00 0.00 0.00 179.01 176.16 1fyl s SER 222 N -6.05 0.17 -0.21 1.42 1.04 -1.26 -4.40 113.70 104.42 1fyl s SER 222 Ca 0.03 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 1fyl s SER 222 Cb 0.08 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1fyl s SER 222 CO 0.62 -0.74 0.09 -0.63 0.98 0.00 0.00 173.24 173.56 1fyl s ILE 223 N -3.90 4.83 -0.16 -1.02 1.01 0.20 -0.88 121.20 121.28 1fyl s ILE 223 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1fyl s ILE 223 Cb 0.05 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1fyl s ILE 223 CO -0.08 0.40 -0.00 -0.69 0.00 0.00 0.00 174.94 174.57 1fyl s VAL 224 N 0.81 4.20 -0.40 2.92 1.01 0.92 -0.89 120.40 128.97 1fyl s VAL 224 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1fyl s VAL 224 Cb -0.13 -2.86 0.11 0.00 0.00 0.00 0.00 36.38 33.50 1fyl s VAL 224 CO 0.02 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.06 1fyl s VAL 225 N 0.34 2.02 0.36 2.92 1.01 0.54 -1.71 120.40 125.88 1fyl s VAL 225 Ca -0.02 -2.51 0.10 0.00 0.00 0.00 0.00 61.98 59.56 1fyl s VAL 225 Cb -0.13 -2.46 0.33 0.00 0.00 0.00 0.00 36.38 34.12 1fyl s VAL 225 CO 0.02 -0.71 1.84 -0.65 0.00 0.00 0.00 175.10 175.60 1fyl h PRO 226 N 7.24 0.62 -1.99 2.72 0.11 -1.79 -0.06 132.00 138.85 1fyl h PRO 226 Ca -0.06 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.77 1fyl h PRO 226 Cb 0.97 -0.14 -0.31 0.00 0.11 0.00 0.00 31.00 31.63 1fyl h PRO 226 CO 0.56 0.41 -0.56 1.21 -0.21 0.00 0.00 178.00 179.40 1fyl s ASN 227 N -5.65 0.88 0.27 -2.05 3.84 -1.25 -3.63 114.94 107.36 1fyl s ASN 227 Ca -0.10 -0.32 -0.01 0.00 0.21 0.00 0.00 52.86 52.64 1fyl s ASN 227 Cb 0.23 0.83 0.60 0.00 -0.55 0.00 0.00 41.25 42.36 1fyl s ASN 227 CO 0.79 -0.35 1.66 -0.09 -2.79 0.00 0.00 177.10 176.33 1fyl h ARG 228 N 8.22 0.23 0.40 0.43 2.43 -1.21 -0.63 114.38 124.25 1fyl h ARG 228 Ca -0.14 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1fyl h ARG 228 Cb 1.12 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1fyl h ARG 228 CO 0.29 0.15 -0.20 0.93 -1.51 0.00 0.00 179.97 179.63 1fyl h GLU 229 N 0.24 -0.54 -0.15 0.20 3.07 -1.97 0.23 114.58 115.66 1fyl h GLU 229 Ca 0.49 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.43 1fyl h GLU 229 Cb 0.93 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.93 1fyl h GLU 229 CO -0.60 -0.36 -0.07 0.00 -1.40 0.00 0.00 179.01 176.58 1fyl h ARG 230 N -0.56 -0.06 -0.39 2.33 3.08 -1.88 0.81 114.38 117.72 1fyl h ARG 230 Ca -0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1fyl h ARG 230 Cb 0.43 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1fyl h ARG 230 CO 0.08 -0.04 -0.04 0.35 -1.07 0.00 0.00 179.97 179.26 1fyl h PHE 231 N -0.06 -0.09 -0.40 3.04 3.57 -0.85 0.27 116.94 122.42 1fyl h PHE 231 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1fyl h PHE 231 Cb 0.18 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1fyl h PHE 231 CO -0.21 -0.11 0.21 0.28 -2.23 0.00 0.00 178.31 176.25 1fyl h VAL 232 N 0.06 1.15 -0.31 1.41 2.07 -0.12 0.84 116.25 121.35 1fyl h VAL 232 Ca 0.19 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1fyl h VAL 232 Cb 0.28 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1fyl h VAL 232 CO -0.35 0.16 -0.26 1.56 0.02 0.00 0.00 177.57 178.70 1fyl h GLN 233 N 0.51 0.72 0.00 1.57 4.20 -0.33 -3.35 115.11 118.44 1fyl h GLN 233 Ca 0.14 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.33 1fyl h GLN 233 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1fyl h GLN 233 CO -0.02 0.98 -1.97 0.39 -0.67 0.00 0.00 178.83 177.54 1fyl n GLU 234 N -4.27 0.66 -0.06 1.46 -0.58 0.89 -4.69 120.64 114.06 1fyl n GLU 234 Ca -0.03 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 1fyl n GLU 234 Cb 0.45 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.69 1fyl n GLU 234 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1fyl n VAL 235 N -2.56 0.61 -0.20 2.62 0.31 0.25 -4.68 118.33 114.68 1fyl n VAL 235 Ca -0.14 -0.16 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1fyl n VAL 235 Cb 0.81 -1.63 0.08 0.00 -0.91 0.00 0.00 33.84 32.19 1fyl n VAL 235 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fyl h LEU 236 N -0.39 -0.40 -2.58 7.52 3.38 -1.57 0.56 115.31 121.83 1fyl h LEU 236 Ca -0.28 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1fyl h LEU 236 Cb 1.25 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1fyl h LEU 236 CO -0.17 -0.15 0.08 1.55 0.09 0.00 0.00 178.44 179.84 1fyl h PRO 237 N 0.06 0.00 0.00 1.13 0.13 -1.79 -0.61 132.00 130.91 1fyl h PRO 237 Ca 0.30 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.34 1fyl h PRO 237 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1fyl h PRO 237 CO -0.56 0.00 -0.44 0.87 -0.23 0.00 0.00 178.00 177.64 1fyl h LYS 238 N 0.00 0.00 0.00 0.86 1.57 -1.15 -3.36 116.57 114.49 1fyl h LYS 238 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1fyl h LYS 238 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1fyl h LYS 238 CO 0.00 0.44 -1.46 0.66 -0.57 0.00 0.00 179.45 178.52 1fyl n TYR 239 N -3.33 0.00 -4.62 -1.35 4.02 -0.47 -5.03 117.16 106.38 1fyl n TYR 239 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.63 1fyl n TYR 239 Cb 0.64 -0.28 -0.14 0.00 -0.02 0.00 0.00 39.34 39.54 1fyl n TYR 239 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1fyl s PHE 240 N -2.42 1.98 -0.26 -0.72 0.08 -0.36 -5.06 117.98 111.22 1fyl s PHE 240 Ca -0.03 -0.39 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 1fyl s PHE 240 Cb 0.04 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1fyl s PHE 240 CO 0.34 0.14 0.35 0.15 -0.10 0.00 0.00 175.22 176.11 1fyl s LYS 241 N -1.40 4.05 -0.87 0.44 1.02 -1.26 -4.51 119.74 117.21 1fyl s LYS 241 Ca 0.09 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.06 1fyl s LYS 241 Cb -0.09 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1fyl s LYS 241 CO 0.03 -0.20 0.71 0.72 -0.92 0.00 0.00 175.35 175.68 1fyl n HIS 242 N 5.08 -2.47 -4.16 3.18 8.25 -1.26 -5.03 115.22 118.81 1fyl n HIS 242 Ca -0.09 0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 58.17 1fyl n HIS 242 Cb 0.51 -3.61 -0.10 0.00 1.12 0.00 0.00 29.99 27.91 1fyl n HIS 242 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fyl s SER 243 N -3.12 0.82 0.29 0.41 0.15 -1.26 -5.15 113.70 105.84 1fyl s SER 243 Ca 0.13 -1.07 0.03 0.00 0.70 0.00 0.00 55.95 55.74 1fyl s SER 243 Cb -0.04 0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1fyl s SER 243 CO 0.81 -0.57 0.07 0.54 1.20 0.00 0.00 173.24 175.29 1fyl s ASN 244 N -3.03 1.81 0.28 5.45 2.20 -1.26 -4.93 114.94 115.45 1fyl s ASN 244 Ca 0.15 -1.37 -0.01 0.00 -0.94 0.00 0.00 52.86 50.69 1fyl s ASN 244 Cb 0.07 0.03 0.47 0.00 -2.00 0.00 0.00 41.25 39.82 1fyl s ASN 244 CO -0.04 -0.65 1.88 0.15 -2.94 0.00 0.00 177.10 175.50 1fyl h PHE 245 N 2.26 1.15 0.06 1.54 3.57 -1.97 -0.51 116.94 123.04 1fyl h PHE 245 Ca -0.39 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.14 1fyl h PHE 245 Cb 1.24 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1fyl h PHE 245 CO 0.52 0.57 -0.09 0.00 -2.23 0.00 0.00 178.31 177.09 1fyl h ALA 246 N 1.48 -0.14 -0.71 2.41 0.00 -1.99 0.16 119.26 120.46 1fyl h ALA 246 Ca 0.43 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1fyl h ALA 246 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1fyl h ALA 246 CO -0.18 -0.60 0.46 1.03 0.00 0.00 0.00 179.25 179.96 1fyl h SER 247 N -0.18 0.76 0.26 0.00 0.87 -1.85 -0.84 113.55 112.58 1fyl h SER 247 Ca 0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1fyl h SER 247 Cb 0.19 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1fyl h SER 247 CO -0.04 0.54 -0.30 0.15 -0.53 0.00 0.00 176.83 176.65 1fyl h PHE 248 N 0.91 -0.80 -0.87 2.24 3.57 -0.56 -1.57 116.94 119.86 1fyl h PHE 248 Ca 0.28 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.88 1fyl h PHE 248 Cb -0.03 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1fyl h PHE 248 CO -0.03 -0.42 0.52 0.28 -2.23 0.00 0.00 178.31 176.42 1fyl h VAL 249 N -0.60 0.93 -0.25 1.41 2.07 -0.43 -0.39 116.25 118.98 1fyl h VAL 249 Ca -0.00 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1fyl h VAL 249 Cb 0.57 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1fyl h VAL 249 CO -0.08 0.16 0.15 0.03 0.02 0.00 0.00 177.57 177.84 1fyl h ARG 250 N 0.86 0.30 -0.49 1.57 3.08 -0.82 -1.29 114.38 117.58 1fyl h ARG 250 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1fyl h ARG 250 Cb 0.37 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1fyl h ARG 250 CO -0.24 0.20 0.31 1.96 -1.07 0.00 0.00 179.97 181.13 1fyl h GLN 251 N 0.31 0.66 -0.90 0.04 1.08 -0.61 -2.21 115.11 113.47 1fyl h GLN 251 Ca 0.10 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.37 1fyl h GLN 251 Cb -0.01 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.20 1fyl h GLN 251 CO -0.04 0.46 0.53 -0.07 -0.95 0.00 0.00 178.83 178.75 1fyl h LEU 252 N 0.66 0.74 -3.76 1.46 3.38 -0.77 -3.00 115.31 114.01 1fyl h LEU 252 Ca 0.18 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1fyl h LEU 252 Cb -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1fyl h LEU 252 CO -0.04 0.38 0.00 -3.20 0.09 0.00 0.00 178.44 175.67 1fyl n ASN 253 N -4.73 0.91 0.00 -0.43 5.15 -0.52 -1.25 115.26 114.40 1fyl n ASN 253 Ca 0.17 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1fyl n ASN 253 Cb 0.36 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1fyl n ASN 253 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1fyl n TYR 255 N 1.88 0.00 -0.80 1.20 4.01 -1.14 -4.18 117.16 118.13 1fyl n TYR 255 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fyl n TYR 255 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1fyl n TYR 255 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fyl n GLY 256 N 0.00 0.78 3.73 2.72 0.00 -1.15 -4.90 105.19 106.37 1fyl n GLY 256 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1fyl n GLY 256 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fyl s TRP 257 N -2.97 3.67 0.04 1.61 0.52 -0.38 -0.81 118.94 120.63 1fyl s TRP 257 Ca 0.00 1.40 0.06 0.00 0.02 0.00 0.00 56.10 57.58 1fyl s TRP 257 Cb 0.00 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.47 1fyl s TRP 257 CO 0.00 0.19 -0.17 -1.01 0.02 0.00 0.00 176.95 175.98 1fyl s HIS 258 N 0.32 1.49 0.21 -1.98 3.76 0.95 -3.47 115.29 116.58 1fyl s HIS 258 Ca 0.39 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 1fyl s HIS 258 Cb -0.19 -0.88 -0.10 0.00 1.11 0.00 0.00 32.58 32.52 1fyl s HIS 258 CO 0.21 0.07 1.46 0.21 -0.85 0.00 0.00 174.74 175.84 1fyl s LYS 259 N -1.20 4.27 -0.04 1.40 2.20 -1.26 -1.41 119.74 123.70 1fyl s LYS 259 Ca 0.04 2.28 -0.28 0.00 -0.36 0.00 0.00 55.97 57.65 1fyl s LYS 259 Cb -0.08 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1fyl s LYS 259 CO 0.02 -0.45 0.88 0.08 -0.36 0.00 0.00 175.35 175.51 1fyl s VAL 260 N 0.37 4.92 -0.77 4.02 1.01 0.35 -4.90 120.40 125.40 1fyl s VAL 260 Ca 0.62 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.45 1fyl s VAL 260 Cb -0.41 -4.22 0.19 0.00 0.00 0.00 0.00 36.38 31.94 1fyl s VAL 260 CO 0.39 0.17 0.60 -1.10 0.00 0.00 0.00 175.10 175.16 1fyl s GLN 261 N 1.06 2.79 -0.16 2.72 -1.52 -1.26 -4.75 119.66 118.54 1fyl s GLN 261 Ca 0.46 -3.23 0.17 0.00 -1.95 0.00 0.00 55.36 50.82 1fyl s GLN 261 Cb -0.20 -3.66 0.39 0.00 -0.22 0.00 0.00 33.01 29.32 1fyl s GLN 261 CO 0.23 -1.26 1.26 -0.40 -0.25 0.00 0.00 175.29 174.87 1fyl n ASP 262 N 2.28 2.86 -4.77 5.90 5.75 -1.26 -5.03 116.55 122.28 1fyl n ASP 262 Ca 0.19 -3.13 -0.37 0.00 -0.01 0.00 0.00 54.79 51.47 1fyl n ASP 262 Cb 0.36 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 1fyl n ASP 262 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1fyl s VAL 263 N -2.89 5.23 -0.53 2.12 1.01 -1.26 -5.06 120.40 119.01 1fyl s VAL 263 Ca 0.36 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1fyl s VAL 263 Cb 0.31 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1fyl s VAL 263 CO 0.04 0.46 0.48 -0.54 0.00 0.00 0.00 175.10 175.54 1fyl s LYS 264 N -0.11 2.95 -0.78 2.72 3.01 -1.26 -5.23 119.74 121.04 1fyl s LYS 264 Ca 0.20 -1.68 -0.29 0.00 -1.01 0.00 0.00 55.97 53.19 1fyl s LYS 264 Cb -0.14 -4.26 -0.18 0.00 -1.01 0.00 0.00 37.83 32.24 1fyl s LYS 264 CO 0.08 -1.29 2.23 0.43 0.51 0.00 0.00 175.35 177.31 1fyl n SER 265 N 5.22 0.32 0.00 2.83 7.64 -1.26 -5.29 113.62 123.08 1fyl n SER 265 Ca -0.13 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1fyl n SER 265 Cb 0.40 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1fyl n SER 265 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1fyl n ASN 272 N 8.54 0.00 0.00 6.43 4.05 -1.26 -5.33 115.26 127.68 1fyl n ASN 272 Ca 0.55 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.63 1fyl n ASN 272 Cb 0.01 0.00 0.22 0.00 1.23 0.00 0.00 39.78 41.25 1fyl n ASN 272 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1fyl n ASP 273 N 0.00 0.00 0.16 1.20 8.00 -1.26 -2.31 116.55 122.34 1fyl n ASP 273 Ca 0.00 0.32 0.05 0.00 0.71 0.00 0.00 54.79 55.87 1fyl n ASP 273 Cb 0.00 -0.39 0.12 0.00 -0.02 0.00 0.00 41.12 40.83 1fyl n ASP 273 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1fyl h SER 274 N 0.00 0.00 -3.35 -2.24 0.87 -1.97 -3.45 113.55 103.41 1fyl h SER 274 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1fyl h SER 274 Cb 0.13 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1fyl h SER 274 CO 0.00 0.41 0.21 -0.60 -0.53 0.00 0.00 176.83 176.32 1fyl s ARG 275 N -3.12 4.35 0.01 2.24 3.52 -0.98 -0.85 118.95 124.12 1fyl s ARG 275 Ca 0.03 0.90 0.07 0.00 -0.13 0.00 0.00 55.73 56.60 1fyl s ARG 275 Cb 0.08 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1fyl s ARG 275 CO 0.72 -0.13 -0.22 -1.58 -0.81 0.00 0.00 175.30 173.28 1fyl s TRP 276 N 1.49 1.93 -0.05 5.12 0.52 -0.04 -5.00 118.94 122.90 1fyl s TRP 276 Ca 0.37 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 1fyl s TRP 276 Cb -0.17 -1.20 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1fyl s TRP 276 CO 0.15 0.02 0.14 -2.00 0.02 0.00 0.00 176.95 175.28 1fyl s GLU 277 N -0.78 0.14 -0.02 4.98 2.12 -1.26 -0.34 118.70 123.54 1fyl s GLU 277 Ca 0.08 0.23 0.07 0.00 0.36 0.00 0.00 54.97 55.71 1fyl s GLU 277 Cb -0.09 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 1fyl s GLU 277 CO 0.00 -0.05 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.39 1fyl s PHE 278 N 0.32 1.99 0.13 5.30 0.08 -0.07 -0.50 117.98 125.23 1fyl s PHE 278 Ca -0.02 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.71 1fyl s PHE 278 Cb -0.03 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1fyl s PHE 278 CO -0.01 -0.04 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.89 1fyl s GLU 279 N -0.50 1.13 -0.04 0.44 2.12 -0.50 -0.63 118.70 120.73 1fyl s GLU 279 Ca 0.08 -1.27 -0.03 0.00 0.36 0.00 0.00 54.97 54.11 1fyl s GLU 279 Cb -0.09 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 1fyl s GLU 279 CO -0.01 0.24 0.12 1.21 -0.54 0.00 0.00 175.26 176.28 1fyl s ASN 280 N -2.38 6.01 0.42 -1.70 3.84 -1.26 -0.03 114.94 119.85 1fyl s ASN 280 Ca 0.10 0.28 0.18 0.00 0.21 0.00 0.00 52.86 53.64 1fyl s ASN 280 Cb -0.07 -1.83 1.10 0.00 -0.55 0.00 0.00 41.25 39.91 1fyl s ASN 280 CO 0.05 0.31 1.86 -0.33 -2.79 0.00 0.00 177.10 176.20 1fyl h GLU 281 N 4.31 0.37 -5.11 0.43 5.08 -1.32 -3.40 114.58 114.95 1fyl h GLU 281 Ca -0.51 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.20 1fyl h GLU 281 Cb 1.20 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 1fyl h GLU 281 CO 0.63 0.25 -0.30 1.03 -1.00 0.00 0.00 179.01 179.61 1fyl s ARG 282 N -5.40 4.01 0.18 2.33 0.52 -1.26 -5.06 118.95 114.27 1fyl s ARG 282 Ca -0.08 -0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.99 1fyl s ARG 282 Cb 0.23 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 1fyl s ARG 282 CO 0.78 -0.23 0.33 -3.38 0.02 0.00 0.00 175.30 172.81 1fyl s HIS 283 N 1.93 0.41 -2.00 -0.53 -3.43 -1.26 -5.17 115.29 105.23 1fyl s HIS 283 Ca 0.13 -0.76 0.01 0.00 -0.80 0.00 0.00 55.06 53.64 1fyl s HIS 283 Cb -0.16 -0.02 0.03 0.00 -1.43 0.00 0.00 32.58 31.01 1fyl s HIS 283 CO 0.10 -0.78 0.53 0.00 -2.00 0.00 0.00 174.74 172.59